SMILES,aggregator,luciferase_inhibitor,reactive,promiscuous
N#C[C@H]1CN(Cc2cnccn2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
Cc1cccc(C(=O)NCC(=O)OCC(=O)NCCNC(=O)COC(=O)CNC(=O)c2cccc(C)c2)c1,1,0,0,0
CC(C)(C)c1cc(-c2ccccc2)no1,0,0,0,0
COc1ccc(/C=N/NC(=O)C2COc3ccccc3O2)cc1OC,0,1,0,0
COc1ccc(Nc2nc(-c3ccc4[nH]ncc4c3)cn3ccnc23)cc1OC,0,0,0,0
COc1cc(-c2ccc3ncc(C(C)=O)c(N[C@H]4CCC[C@H](CN(C)C)C4)c3c2)cc(Cl)c1O,0,0,0,0
CCCN1CCN(C(=O)c2c(F)cc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1,0,0,0,0
CN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccccc12,0,0,1,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Cl)c4Cl)cn3)[C@H]12,0,0,0,0
CNC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1,0,0,0,0
N#CC(=Cc1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1,1,0,0,0
C=CCc1cccc(CNc2c(C)cc(C)cc2C)c1O,0,0,0,0
COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2C)cc1,1,0,0,0
C=CCn1c(-c2ccccc2[N+](=O)[O-])n[nH]c1=S,0,0,0,0
CS/C(=N\S(=O)(=O)c1ccc(N)cc1)NS(=O)(=O)c1cccs1,0,0,0,0
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1,0,1,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(N(C)C)c3)c2)on1,0,0,0,0
O=C1c2[nH]nc(-c3ccccc3O)c2C(c2ccc(F)cc2)N1CCO,0,0,0,0
Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3cc4c(cc3Br)OCO4)c2n1,0,0,0,0
O=C(CNC(=O)c1ccccc1)OCc1nc2ccccc2s1,0,1,0,0
CCCc1cc(C(=O)Nc2cc(OC)ccc2OC)cs1,0,1,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C=O)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1,0,0,0,0
COc1ccc(NC(=S)NCCCc2ccccc2)cc1,0,0,0,0
CCCCc1nc2ccc(F)c(C(=O)O)c2nc1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC(=O)[C@]2(C)[C@@H]4[C@H](C[C@@H]32)O[C@]2(CC[C@@H](C)CO2)[C@H]4C)C1,0,0,1,0
NC(=O)c1ccc2nc(-c3ccc(N4CCN(c5ccccn5)CC4)cc3)[nH]c2c1,0,0,0,0
CCNc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1,0,0,0,0
Cc1cc(C)n2nc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)nc2n1,0,0,0,0
COc1ccccc1NC1(C#N)CCCCC1,0,0,0,0
COCC(=O)Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1,0,0,0,0
N#C/C(=C\c1cn(Cc2ccc(F)cc2)c2ccccc12)C(=O)NCc1ccco1,1,0,0,0
CCC(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
Cc1nc(COc2ccc3c(c2)NCCN([C@@H](C(=O)NO)C(C)C)S3(=O)=O)sc1C,0,0,0,0
COc1ccc(C=NNC(=O)c2ccc(=O)[nH]n2)cc1O,0,0,0,1
CC(=O)c1cc2cc(Nc3nccc(-c4ccc(S(=O)(=O)N5CCNCC5)cc4)n3)ccc2o1,0,0,0,0
Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cccc(-c5cn[nH]c5)c4)CC3)nc2)c1,0,0,0,0
COc1ccc(NC(C#N)c2ccc(OC)cc2)cc1,0,1,0,0
NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(OC(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
CS(=O)(=O)CCN1CCC(c2ccc(OC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1,0,0,0,0
Cc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
CCCSc1nc(=O)n2cc(C)ccc2n1,1,0,0,0
CCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCCOC)c1=O,0,0,0,0
O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCC(F)C1)CC2,0,0,0,0
COCc1cc(C)nc2c1C(=O)NC(c1ccc(F)cc1)N2Cc1ccccc1,0,0,0,0
CN1CCC(Oc2ccccc2Sc2ccccc2)CC1,0,0,0,0
CC1C[C@@H]2[C@H](CC[C@]3(C)C(c4cncc(F)c4)=CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,0,0,0,0
N#CCCN1CCN(Cc2cc(-c3ccccc3)ccc2O)CC1,1,0,0,0
CC1=C(C(=O)NC(C)c2ccccc2)C2(CCC(C)CC2)OC1=O,0,0,0,0
CC(C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
O=C(c1ccc2c(-c3cnc4ccc(F)cn34)nn(Cc3ccccc3)c2c1)N1CCCCCC1,0,0,0,0
Cn1c(=O)c2c(nc3n(-c4ccc(O)cc4)c(-c4ccc(Br)cc4)cn23)n(C)c1=O,0,0,0,0
CCCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
COc1ccccc1CNC(=O)CCc1c(C)nc2cc(-c3ccccc3OC)nn2c1C,1,0,0,0
CCn1cc(C(=O)OC)c(=O)c2ccc(C)nc21,0,0,0,0
COc1ccc(Nc2nc(N)nc(CSc3nc4cc(OC)ccc4s3)n2)cc1,1,0,0,0
Cc1nc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)sc1C,0,0,0,0
C=CCSc1nc(N)c(C(=O)Nc2ccccc2)cc1C#N,1,0,0,0
COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)CC1CC2CCC1C2,1,0,0,0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2cccnc2)n1,0,0,0,1
CN1CCN(c2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCc4ccccc4)c3n2)CC1,1,0,0,0
COc1ccc(CN2CCN(Cc3ccc(C)cc3)C(CCO)C2)cc1OC,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CN(c3c(F)cc(OC4CC4)cc3F)C2)cc1,0,0,0,0
COc1ccc(Cc2nc3ccc(C(=O)NCc4cc(Br)ccc4OC)cc3o2)cc1,1,0,0,0
Cc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1,0,0,0,0
O=C(c1ccco1)N1CCN(c2nc3ccccc3c(=O)n2-c2ccccc2)CC1,1,0,0,0
O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc(Cl)cc2)CCCC1,0,0,0,0
CC1=C(C(=O)NCC(C)CN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1,0,0,0,0
Cc1ccc(CCNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3c2=O)cc1,1,0,0,0
C#Cc1cccc(C(=O)N2CCCC(C(=O)c3ccc(OC)cc3C)C2)c1,0,0,0,0
COc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1,0,0,0,0
CSc1nc(-c2ccnc(NC(C)CCc3ccccc3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
CCOc1ccc(C2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC,0,0,0,0
CN(C)c1ccc(-c2nc(-c3ccc(/C=C/C#N)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1,0,0,0,0
O=C(Oc1cccc([N+](=O)[O-])c1)N1CCCCC1,0,0,0,0
CC(=O)C(=NNc1cccc(Cl)c1)Sc1cccc2cccnc12,1,0,0,0
O=S(=O)(NCC1OCCc2ccccc21)c1ccccc1,0,0,0,0
COc1ccc(Nc2cc(C)nc3ncnn23)c(OC)c1,0,0,0,0
Cc1ccncc1-c1cccc2c1ncn2-c1cccc(F)n1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(OC)cc2)nc2cc(OC)c(OC)cc12,0,0,1,0
O=CN(O)C1(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1,0,0,0,0
CSc1ccccc1OCc1cc(C(=O)N(C)C(C)c2ccccn2)no1,1,0,0,0
O=C(OCc1cccnc1)C12CC3CC(CC(C3)C1)C2,0,0,0,0
CCOC(=O)N1CCC(Nc2cc(OC)ccn2)CC1,0,0,0,0
O=S(=O)(NCc1ccc2c(c1)OCO2)c1cnc[nH]1,0,0,0,0
CC(NS(=O)(=O)c1cccc(Cl)c1)C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1,0,1,0,0
Cn1cc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O,0,0,0,0
CCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCCN4CCCCC4)ccc23)cc1,1,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(Cl)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3cccc(F)c3)ccc12,0,0,0,0
COC(=O)c1cc2ccccc2n1Cc1ccc(Cl)nc1,0,0,0,0
CC(C)c1nnc2ccc(-c3nc[nH]c3-c3cc(F)ccc3F)cn12,0,0,0,0
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C,0,0,0,0
COCCn1nnnc1C(C(C)C)N1CCC(Cc2ccccc2)CC1,1,0,0,0
O=C(c1c(F)cccc1F)N1CCCC1,0,0,0,0
CCS(=O)(=O)C[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)CO)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
CCc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O,0,0,0,0
Cc1oc(-c2cccc(Cl)c2)nc1CS(=O)(=O)CC(=O)NC(C)CCc1ccccc1,1,0,0,0
CCOc1ccc(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)cc1,0,1,0,0
CCCCOc1c(C(=O)c2c(C)cc(C)cc2C)cnc2n[nH]cc12,0,0,0,0
COc1ccccc1C1C(C(C)=O)=C(O)C(=O)N1c1ccc(O)cc1,0,0,0,0
CN(C)CCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O,0,0,0,0
c1cc(CN2CCCCC2)ccc1COc1ccc(CN2CCCCC2)cc1,0,0,0,0
CN(C)c1ccc(-c2nc3ncc(Br)c(N4CCN(S(=O)(=O)c5ccccc5)CC4)c3[nH]2)cc1,0,0,0,0
CCOC(=O)c1sc(=S)n(-c2ccc3c(c2)OCO3)c1N,0,0,0,0
CCC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
Cc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4cnc[nH]4)C3)sc2c1,0,1,0,0
CC(C)Nc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
Cn1c(CN2CCC(C(N)=O)CC2)c(C#N)c2ccccc21,0,0,1,0
Cc1noc(C)c1Cn1cc(N2C(=O)CN(C)C2=O)cn1,0,0,0,0
Cc1ccc(OCC(=O)O)c(C2CCCCC2)c1,0,0,0,0
CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N4C(=O)CC[C@@H]4CO)ccc3OC)NC(=O)NC1=O)C2,0,0,0,0
O=C1C(c2ccc(O)cc2)=C(Br)c2c(O)cc(O)cc21,0,0,0,0
CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
O=S(=O)(NCC1CCCO1)c1ccc(NC2CC3CCC2C3)cc1C(F)(F)F,0,0,0,0
c1ccc(Oc2nc(NC3CCCCC3)c3[nH]cnc3n2)cc1,0,0,0,0
O=C(O)C1(c2ccc3c(c2)C[C@H](C(c2ccccc2)C2CCCCC2)[C@H]3O)CCCC1,0,0,0,0
COC(=O)c1ccc(CN(c2ccc(C)cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)o1,0,0,0,0
CC(C)(C)OC(=O)NN1CC(=O)N2Cc3[nH]c4ccccc4c3CC2C1=O,0,0,0,0
CCN(CC)C(=O)c1ccc2c(=O)n(CCOC)c(=S)[nH]c2c1,1,0,0,0
O=C1c2ccncc2C(=O)N1C1CCCCC1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccccc2)CC1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](O)(CC#N)CO3)C1=O,0,0,0,0
O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(F)c2F)C1,0,0,0,0
CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C(=O)N1CCC(O)CC1,0,0,0,0
Cc1ccc(C)c(N2CCN(C(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5CCN(c6ncccn6)CC5)c4c3=O)CC2)c1,1,0,0,0
CCc1ncccc1Oc1cc(CCCCO)cnc1NC(=O)NC,0,0,0,0
Cc1cccc2cc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(C)c(=O)c12,0,0,0,0
CC(Nc1nc(=NC2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccco1,0,0,0,0
c1cc(Cc2cnc[nH]2)cc(C2=NC(CC3CCCCC3)CO2)c1,0,0,0,0
Cc1ccc(S(=O)(=O)C(C#N)=Cc2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1,0,0,0,0
COc1ccc(C(=O)NC(C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1,1,0,0,0
CN(C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O)C1CCCCC1,1,0,0,0
OC(CN1CCN(Cc2ccccc2)CC1)c1ccc(Br)cc1,0,0,0,0
Cc1cc(C)c2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1,0,0,0,0
CCC(CC)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(C4=CCN(C)CC4)cc3OC)ncc2Cl)c1,0,0,1,0
Cc1ccc2c(c1)c1c(n2CC(O)Cn2ccnc2C)C(=O)CCC1,0,0,0,0
COc1ccccc1N1CCN(CCCC2CCCc3ccsc32)CC1,0,0,0,0
Cn1c2ccccc2c(=O)c2ccc(C#CC3(O)CCCCC3)cc21,0,1,0,0
COc1ccc(C#Cc2ccc(C(=O)N3CCCC(CO)C3)cc2)cc1,0,0,0,0
CCN(CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)Cc1ccccc1,1,0,0,0
O=C(OCc1nnc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Cl,0,0,0,0
O=C(c1ccccc1)N1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)CC1,0,0,0,0
CN1CC(c2ccccc2)C(O)(C2(c3ccccc3)CN(C)CC(c3ccccc3)C2=O)C(c2ccccc2)C1,0,0,0,0
CC1CCCN(C(=O)C(C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)C1,1,0,0,0
Cc1cc(C)c(C#N)c(N2CCCC(C(N)=O)C2)n1,0,0,0,0
CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cnn(CC)c2)C1,0,1,0,0
c1ccc(-n2ncc3c2ncn2cnnc32)cc1,0,0,0,0
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(c2ncnc3sccc23)CC1,0,0,0,0
CCOC(=O)c1cccc(NC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)c1,1,0,0,0
NS(=O)(=O)c1cccc(-c2ccsc2-c2cc(Cl)ccc2OCc2ccccc2)c1,0,0,0,0
CC(C)(C)c1ccc(C=C(C#N)C(=O)NCCN2CCOCC2)cc1,1,0,0,0
Cc1cc(OCc2cc(C(=O)N(C)C(C)c3ccccn3)no2)cc(C)c1Cl,1,1,0,0
c1ccc2c(c1)nnn2CN1CCOCC1,0,0,0,0
COc1ccc(C2(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)CCCC2)cc1OC,1,0,0,0
c1ccc(C2(Cc3nn[nH]n3)C3CC4CC(C3)CC2C4)cc1,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3cc(Cl)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CF)(CNCc2cccc(-n3cccn3)n2)CC1,0,0,0,0
O=C1C(c2ccc(F)cc2)N(CCc2ccc(Cl)cc2)C(=O)CN1C1CCCCCC1,0,0,0,0
Cc1cc(C)c[n+](-c2[nH]c(=O)sc2/C=N/NC(=S)Nc2ccccc2)c1,0,0,0,0
CCCCC(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1OCC(=O)NC(C)(C)C,0,0,0,0
O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=NCc1cccnc1,0,0,0,0
CCOc1ccc(C2=Nc3cc(CC)ccc3N=C(c3cccs3)N2)cc1OCC,0,0,0,0
CCc1nn2cc(-c3nc4cc(Cl)ccc4o3)nc2s1,0,0,0,0
CSc1ccc(/C=C/c2nc(NCCN(C)C)c3ccccc3n2)cc1,0,0,1,0
CCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
O=C(c1cnc2ccccc2c1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,0,0,0,0
O=c1[nH]c(N2CCC(c3ccccc3C(F)(F)F)CC2)nc(N[C@H]2CCCNC2)c1-c1ccc2ccccc2n1,0,0,0,0
COc1ccc(CN(CCC(c2ccc3c(c2)OCO3)c2ccccc2OC)C(C)=O)cc1,1,0,0,0
CC(C)c1ccc(NC(=O)C(c2ccc3c(c2)OCO3)N2CCC3(CC2)OCCO3)cc1,1,0,0,0
Nn1c(CSc2ccccn2)nc2ccccc2c1=O,0,1,0,0
COP(=O)(OC)C1(Nc2ccc(C)cc2)CCCCC1,0,0,0,0
COc1ncccc1-c1nnn(-c2ccc(Cl)nc2)n1,0,0,0,0
CCCc1cnc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc1,0,0,0,0
Cc1nc2ccc(Nc3nc4cc(S(=O)(=O)N5CCOCC5)ccc4o3)cc2s1,1,0,0,1
Cc1cccc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1,1,0,0,0
COc1ccc(CNc2nccc(-c3c(-c4ccc(F)cc4)ncn3Cc3cccc(C#N)c3)n2)cc1,0,0,0,0
COc1cc2nncc(-c3cnc(N4CCC(O)(c5ccc(F)nc5)CC4)c(C)c3)c2cc1OC,0,0,0,0
Cc1csc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)n1,0,0,0,0
CC(=NNc1ccc(C(F)(F)F)cn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0,0,0
CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
Cn1cnc(NCc2ccccc2)c1[N+](=O)[O-],0,0,0,0
Cc1nn(-c2ccccc2)c(C)c1-c1cc(C(=O)N/N=C/c2ccc(O)cc2)[nH]n1,0,1,0,0
CC(C)(O)[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(Cl)c4)n3n2)C1,0,0,0,0
CC(C)Nc1nccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1,0,0,0,0
Cc1ccc(C(=O)N2CCN(C(=O)c3ccccc3)C2c2ccc(N(C)C)cc2)cc1,0,0,0,0
CCC(=NCCc1ccc(OC)c(OC)c1)C1=C(O)CC(C)(C)CC1=O,0,0,0,0
Nc1cc(-c2cc3c(s2)C2(CCCCC2)CCC3=O)ccn1,0,0,0,0
Oc1c(Cl)cc(Cl)cc1CN1CCN(Cc2ccccc2)CC1,0,0,0,0
COc1cc(-c2cccnc2)cc(C=O)c1O,0,0,0,0
CCc1cc(-c2noc(-c3sc(CC)c4c3CCC3(CCCC3)C4)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO,0,0,0,0
Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)n2)c1,1,0,0,0
COc1ccc(C(=O)Oc2cc(C)c(CN3CCOCC3)cc2C)cc1OC,0,0,0,0
CC(C)CCC(c1ccc(Cl)cc1)C1CCCCN1,0,0,0,0
Cn1cc(-c2cnc(N)c3oc(-c4csc5cnccc45)cc23)cn1,0,0,0,0
O=c1[nH]ccc2c(Nc3c(F)cccc3C(F)(F)F)nc3ccncc3c12,0,0,0,0
Fc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1,1,0,0,1
CCCCc1nc2cn[nH]c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CSc1nn2cc(-c3nc4ccccc4o3)nc2s1,0,0,0,0
CCOC(=O)c1cnc(NCc2ccc(OC)cc2OC)c2ccccc12,1,0,0,0
CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)C2(C)C)C1=O,0,0,0,0
O=c1cc(CSc2ccccc2)[nH]c2ccccc12,0,0,0,0
C[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N([C@@H](CS(=O)(=O)C(F)(F)F)C2CC2)C1=O,0,0,0,0
CC(C)CN(CCNC(=O)CC1Oc2ccccc2NC1=O)CC(C)C,1,0,0,0
O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(-c2ccccc2)cc1,0,0,0,0
COc1ccc(C)cc1S(=O)(=O)NCCC1=CCCCC1,0,0,0,0
OC(COc1ccc2cc(Br)ccc2c1)CN1CCOCC1,1,0,0,0
Cc1cccc(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c1,0,0,0,0
O=C(NO)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
COc1ccc2c(CC(=O)Nc3ccc(OC)c(NS(=O)(=O)c4ccc(F)cc4)c3)coc2c1,1,0,0,0
Cc1ccc(S(=O)(=O)Cn2nnnc2CN2CCCC3(CCCCC3)C2)cc1,0,0,0,0
OCCC1CN(Cc2cnc(-c3ccccc3)s2)CCN1Cc1ccccc1,1,0,0,0
O=c1c2ccc[nH]c-2c(Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1Cc1ccccc1,0,0,0,0
CCCCN(C)c1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,1,0,0,0
N#CCSc1nc2ccccc2c(=O)n1-c1ccccc1,0,0,0,0
CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,0,0,0,0
CN(C)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1,0,0,0,0
CC(C)N1C2OC(C3OC4C(O3)N(C(C)C)S(=O)(=O)N4C(C)C)OC2N(C(C)C)S1(=O)=O,0,0,0,0
Nc1c(C(=O)N2CCOCC2)sc2nc3c(cc12)CCC3,0,1,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)F)cc21,0,0,0,0
NC(N)=Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,0,0,0,0
O=C(CCCc1nc2ccccc2s1)NNC(=O)CCN1CCN(Cc2ccccc2)CC1,1,0,0,0
Cn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F,0,0,0,0
CO[C@]1(NC(=O)C(F)(F)F)C(=O)N2[C@@H](C(=O)OCc3ccccc3)C(C)(C)S(=O)(=O)[C@@H]21,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccc(C#N)cc4)C3)c2cc1OC,0,0,0,0
CCC(c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O,1,0,0,0
COc1cc(Cl)c(C)cc1NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1,1,0,0,0
OC(COc1ccccc1)CN1CCN(c2ncccn2)CC1,0,0,0,0
O=C(Nc1ccn2ccnc2c1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,0,0,1,0
C/C(=N\NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1,0,1,0,0
Cc1ccc(-n2c(O)c(/C=C/C=N/c3ccccc3)c(=O)[nH]c2=O)cc1,0,0,0,0
CCCC(=O)c1ccc(N2CCCC2)c(F)c1,0,1,0,0
Cc1ccc2[nH]c(-c3cccc(N)c3)cc2c1,0,1,0,0
N=C(N)N1CCc2ccc(OCC3(C(=O)O)CCN(c4ccncc4)CC3)cc2C1,0,0,0,0
Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccco1,1,0,0,0
Cc1ccc([N+](=O)[O-])c2c1O[Hg]2,0,0,0,1
CN(c1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)c1)S(C)(=O)=O,0,0,0,0
COc1ccc(CN2CCN(Cc3ccccc3)[C@@H](CO)C2)cc1,0,0,0,0
O=C(Nc1ccc(S(=O)(=O)C[C@@H](Cc2c[nH]c3ccccc23)C(=O)O)cc1)c1ccc(Br)cc1,0,0,0,1
COc1ccccc1-c1c(-c2ccc(O)cc2O)n[nH]c1C(F)(F)F,0,0,0,0
Cc1cccc(S(=O)(=O)c2c(N)n(N=Cc3ccccc3)c3nc4ccccc4nc23)c1,1,0,0,0
Cc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3C3(CC(C)C)C(=O)N(c4cccc(Br)c4)C(=O)N23)c1,0,0,0,0
C=CCn1c(-c2cccc(Cl)c2)n[nH]c1=S,0,0,0,0
O=C(C(=O)N1CCOCC1)c1cn(CCOc2ccccc2)c2ccccc12,1,0,0,0
Cc1c(CN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,0,0,0,0
O=c1cc(CN2CCOCC2)c2cc(Cl)ccc2o1,0,0,0,0
CNCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2F)c1)C(F)(F)F,0,0,0,0
COCC1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCN)NC1=O,0,0,0,0
Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5ccccc5)CC4)sc3c2c1,0,0,0,0
COc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1OC,0,0,0,0
COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccccc5F)CC4)sc3n2)cc1,0,0,0,0
CCCc1ncccc1CN(CCCOc1ccc2c(c1)N(C)C(=O)C(C)(C)C(=O)N2CC)CCn1ccc2oc(C)cc2c1=O,0,0,0,0
O=C(OCc1ccc(CC(SCCc2ccc(F)cc2)C(=O)O)cc1)c1nc(-c2ccccc2)oc1C(F)(F)F,0,0,0,0
Cc1cccc(-c2[nH]c(CNc3cc(C#N)cc(CN4CCCC4)c3)nc2-c2ccc3ncnn3c2)n1,0,0,0,0
CC(=O)NCc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1,0,0,0,0
c1ccc(CCNc2nccc3[nH]c4ccccc4c23)cc1,0,0,0,0
CC(C)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
O=C(COC(=O)c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)NCc1ccco1,0,0,0,1
Cc1ccc(S(=O)(=O)c2c[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)nc2=O)cc1C,1,0,0,0
COC(=O)c1ccc(OC)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccnc1,0,0,0,0
CCCCc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0,0,0
Cc1cc(=O)[nH]c(N/N=C/c2ccc([N+](=O)[O-])cc2)n1,0,0,0,0
C/C(Cl)=C/Cn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
C#CCOc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(Cl)cc2)C3)c1C,0,0,1,0
CNCCN1CCC(OCc2ccc(Oc3cccc(Cl)c3Cl)cc2)CC1,0,0,0,0
CN(C)CCCOc1ccccc1CC(=O)N1CC2C(=O)CSC(c3ccccc3)(c3ccccc3)C2C1,0,0,0,0
COc1ccc(-c2csc(NC(=O)CSc3nc(C)nc4sc(C(=O)O)c(C)c34)n2)cc1,0,1,0,0
CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)O,0,0,0,0
COCCn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21,0,0,0,0
NCCCC(N)CC(=O)NCC1NC(=O)C(CO)NC(=O)C(N)CNC(=O)C(C2CCN=C(N)N2)NC(=O)C(C=NC(N)=O)NC1=O,0,0,0,0
Cc1cc(C)c2c(N)c(C(=O)NN3CC(=O)N(c4ccccc4F)CC3=O)sc2n1,1,0,0,0
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(C)cc4)c3C2=O)CC1,1,0,0,0
CCN(CC)C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,1,0,0,0
Nc1nc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)cc(C2CCCCC2)n1,0,0,0,0
N#Cc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1,0,0,0,0
Cc1ccc(-c2c[nH]cc(C(=O)Nc3ccc4c(c3)NC(=O)/C4=C\c3ccc[nH]3)c2=O)cc1,0,0,0,0
O=c1c2cc3c(=O)n(-c4ccccc4O)c(=O)c3cc2c(=O)n1-c1ccccc1O,0,0,0,0
COc1cc(C)cc2cc(-c3c(CN4CCNC(=O)C4)c(CN4CCOCC4)n4ncnc(N)c34)sc12,0,0,0,0
O=C(c1cccc(F)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2,0,0,0,0
CC(C)(C)NC(=O)CN(C(=O)C[S+]([O-])CC(=O)Nc1ccc(F)cc1)c1ccc(F)c(Cl)c1,1,0,0,0
CC(C)n1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O,0,0,0,0
CCC(=NNC(=S)Nc1ccc(OC)cc1)c1ccc(OC(F)F)cc1,0,0,0,0
Cc1nc2n(n1)C(=O)C(C(c1cccs1)N1CCN(c3cccc(Cl)c3)CC1)S2,1,0,0,0
CCC1CCc2sc(C(=O)NNC(=O)c3ccncc3)cc2C1,0,1,0,0
O=C1N(Cc2ccccc2Cl)c2ccccc2C1(O)c1c[nH]c2ccccc12,1,0,0,0
CC(C)c1ccc(C(=O)NNC(=O)C2C3CCC(C3)C2C(=O)O)cc1,0,1,0,0
CCCCOc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
C[C@@H]1CC[C@@H](C)N1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,0,0,0,0
Cc1ccc(C(=O)NCCc2c[nH]c3ccccc23)s1,0,1,0,0
CC1(C)C(=O)N=C2C1=C(O)C(=O)c1ccccc12,1,0,0,0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0,0,0
COc1ccc(Br)cc1S(=O)(=O)NC(=O)/C=C/c1ccccc1Cc1ccc2cc(OCc3ccccc3)ccc2c1,0,0,0,1
COc1cccc(CNc2ccc(F)c(Cl)c2)c1OC,0,0,0,0
CCc1[nH]c(SCc2ccc(F)cc2)nc(=O)c1C#N,0,0,0,0
CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(CCO)C1,0,0,0,0
C/C=C/C[C@@H](C)[C@@H](O)[C@H]1C(=O)N[C@@H](CC)C(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](COCC(=O)Nc2ccc(N=Nc3ccccc3)cc2)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](CC(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1C,0,0,0,0
NC(=O)N/N=N/c1nc(Nc2ccccc2)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1,0,0,0,0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCCN3CCCC3)cc2n1CCO,0,0,0,0
Cc1cc(-c2nn(-c3ccccc3)cc2C=C2SC(N)=NC2=O)ccc1OC(C)C,0,0,0,0
c1ccc(Nc2nc3ccccc3c3nc(C4CCCC4)[nH]c23)cc1,0,0,0,0
CCOC(=O)c1ccc(NC(=O)CSc2nc(C)cc(=O)[nH]2)cc1,0,0,0,1
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1N1Cc2cnc(N)nc2N(C)C1=O,0,0,0,1
NC(=O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1,0,0,0,0
O=C(c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1)N1CC2CCOC2C1,0,0,0,0
Cc1ccc(NC(=S)N(CCCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1,0,0,0,0
O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCCNC3,0,0,0,0
Brc1cc2ccccc2[n+](Cc2ccccc2)c1,0,0,0,0
CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5ccnc6ncccc56)nc4c32)CC1,0,0,0,0
Cc1ccc2nc(Nc3nc(C)cc(C(F)(F)F)n3)nc(C)c2c1,0,0,0,0
CC1CC(NCc2ccccc2)C(O)C(O)C1O,0,0,0,0
CCOCCCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O,0,0,0,0
CNC(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
COc1ccccc1C(=O)Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1,0,1,0,0
CCCCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1,0,0,0,0
CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(Cl)cc2)CC(=O)N1,0,0,0,0
Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C(=O)O,0,0,0,0
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCCCC1,1,0,0,0
O=C(Oc1cncc(Cl)c1)c1ccco1,0,0,0,1
N#CCc1c(C#N)c(N)nc(N2CCCC(CO)C2)c1C#N,0,0,0,0
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(C)c2)cc1,1,0,0,0
CC[C@@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)C(=O)O)cn1,0,0,0,0
Cc1c(Cl)cccc1Oc1cccn2c([C@]34CCC(C[C@H]3O)C4(C)C)nnc12,0,0,0,0
COC(=O)c1ccc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1,0,0,0,0
O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ncccc2n2c(=O)n(-c3ccccc3)nc12,0,0,0,0
Cc1cc(N2C(=O)C(O)=C(C(=O)c3ccc(Cl)cc3)C2c2cccc(Br)c2)no1,1,0,0,0
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3cccc(Br)c3)[nH]c2c1,0,0,0,0
O=C(CCl)Nc1cccc(-c2ncnc3[nH]ccc23)c1,0,0,1,0
O=C(C1=CC(C2CCCCC2)CC(OCc2ccc(CO)cc2)O1)N1CCOCC1,1,0,0,0
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccccc3C)oc2C)CC1,1,0,0,0
NC1CCN(c2nc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)ns2)CC1,0,0,0,0
CC(C)CCn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
Clc1ccc(OCc2nc3c(OCCC[C@@H]4CCCNC4)cccc3n2CCC[C@H]2CCCNC2)cc1,0,0,0,0
Cn1c(C(=O)c2ccc(Oc3nccnc3N3CCOCC3)cc2)nc2ccccc21,0,0,0,0
COc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)Cn2nnc3ccccc32)C2CC2)cc1,1,0,0,0
OCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,0,0,0,0
CC(C)c1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1,0,0,0,0
COC(=O)CNC(=O)C1(C)C=CCN1C(=O)c1ccccc1,0,1,0,0
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCCN2CC(C)CC(C)C2)c(C)o1,1,0,0,0
NC(=O)c1cc2c(s1)-c1ccccc1OCC2,0,0,0,0
NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2cccc(F)c2)cc1,1,0,0,0
O=C(c1ccc(F)cc1)C1CCN(CCC2CCc3sccc3C2=O)CC1,0,0,0,0
Cc1cccc(NC(=O)CSc2nc(-c3cccs3)nc3cc(=O)[nH]n23)c1,1,0,0,0
CCC(=O)Nc1nc(C)c(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)s1,0,0,0,0
Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(c3ccncc3)CC2)cc2cn[nH]c12,0,0,0,0
Cc1nc2c(s1)-c1nc(Nc3ccc([N+](=O)[O-])cc3)ncc1CC2,0,0,0,1
O/C=c1\ccc2cccc3nc(C(F)(F)F)nc1c23,1,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2CO)c1C,0,0,0,0
Cc1nc(O)c(C#N)c2c1CCCC2,1,0,0,0
CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,0,0,0,0
O=C(c1cnn(C(=O)c2ccco2)c1)c1cc(F)ccc1O,0,0,0,0
CS(=O)(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0,0,0
O=C[C@H](CC(=O)O)NC(=O)C(CCCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1)c1cccs1,0,0,0,0
C=CC(=O)Nc1ccc(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)cc1,0,0,1,0
CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1c1ccccc1,0,0,0,0
O=S(=O)(Nc1ncns1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CNC2)cc1F,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(c5)c(C)c(C)n6C)c4)CC3)CC2)CC1,0,0,0,0
c1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1Cl,0,0,0,0
COc1ccc(NC(C)=O)cc1NC(C)c1nc(=O)c2c(C)c(C)sc2[nH]1,0,0,0,0
O=C1c2ccccc2C(=O)N1c1ccc(Cc2ccncc2)cc1,0,0,0,0
CCC(=O)N(CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0,0,0
O=C1CN(C(=O)COC(=O)CNS(=O)(=O)/C=C/c2ccccc2)c2ccccc2N1,0,0,0,0
Fc1ccc(OC2CCC2)cc1-c1ccc2c(c1)CC[C@H](CCc1nn[nH]n1)O2,0,0,0,0
Cc1n[nH]c(=O)cc1-c1ccc(OCCCN2CCCCC2)cc1,0,0,0,0
Cc1ccccc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,0,0,0,0
Cc1ncc(-c2n[nH]c(CN[C@H]3CC[C@@H](F)C3)c2C)cc1F,0,0,0,0
COc1ccc(N(CC(=O)NCCSC2CCCCC2)S(C)(=O)=O)c(OC)c1,1,0,0,0
Cc1nc2nc(COc3ccccc3)[nH]n2c(=O)c1Cc1ccccc1,0,0,0,0
CCN(/N=C/c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,0,0,0,0
COc1ccc(NC(C)=O)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1OC,0,0,0,0
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4)C3C2)n1C,0,0,0,0
Cc1onc(-c2ccc(Br)o2)c1-c1ccccc1,0,0,0,0
NC(=O)c1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1,0,0,0,0
COCCN1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1=O,0,0,0,0
N#Cc1ccc(NC(=O)N2CCCc3cc(N)c(C=O)nc32)nc1,0,0,1,0
COc1ccccc1NC(=S)N/N=C/c1cccc(C)c1,1,0,0,0
C=CCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,1,0,0,1
COc1cc(C=NNC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1O,1,0,0,0
O=C(O)CC1SC(=NN=Cc2ccc(Br)cc2)N(c2ccccc2)C1=O,0,0,0,0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0,0,0
CS(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1[N+](=O)[O-],0,0,0,0
Cn1c(N2CCC(O)(c3ccccc3)CC2)cc(-c2ccncn2)cc1=O,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCN(C)CC3)cc2)CC1,1,0,0,0
COC(=O)c1ccccc1-n1cc(-c2c(C(=O)O)[nH]c(=O)[nH]c2=O)nn1,0,0,0,0
CC1=NNC(=O)C1Br,0,0,0,1
COc1cc(Br)c(OC)c2c1C(CN)C2,0,0,0,0
Nc1ccccc1C(=O)OCCOc1ccccc1,0,1,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCC3CC3)[nH]c(=O)c2nn1CCN1CCOCC1,0,0,0,0
CC(C)(CO)NC(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1,1,0,0,0
CSc1ccc(C2CCC(OCC3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,0,0,0,0
Cc1cc(O)c2c(=O)c(O)ccc-2o1,0,0,0,0
Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4F)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C,1,0,0,0
CC(C)Oc1ccc(Nc2nc(=O)n(CCN3C(=O)CNC3=O)c(=O)n2Cc2ccc(Cl)cc2)cc1F,0,0,0,0
CCC[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)CN(C(=O)[C@@H](N)CCCN=C(N)N)CCNC(=O)NCCCCCCN(CC(N)=O)C(=O)[C@H](CCC(C)C)NC(=O)[C@H](CN)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,0
Cn1cnc(S(=O)(=O)NC2CCC(CCN3CCN(c4cccc5c4OCO5)CC3)CC2)c1,0,0,0,0
CCNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4Cl)c(C)nn13)CCO2,0,0,0,0
Cc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccc2)n1,0,0,0,0
Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1,0,0,0,0
O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(F)cc2)CC1,0,0,0,0
Cc1ccc(OCCCCn2cnc3ccccc32)cc1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(Cl)ccc3Cl)c(F)c2)CC1,0,0,0,0
COCCCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0,0,0
Cc1cc(C)c2c(c1)c1nnc(SCCN3CCCCC3)nc1n2C,0,0,0,0
O=C(CCNC(=O)c1ccccc1)NN=Cc1ccc(Br)o1,0,0,0,1
CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(C)CC3)C(=O)c3ccccc3C2=O)cc1,0,0,0,0
CCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCC(CO)CC2)C(=O)N1,0,0,0,0
CC(C)Nc1nc(NC(C)C)nc(N(C)n2cnnc2)n1,0,0,0,0
CC(=O)N1CCc2ccc(O)c(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)c2C1Cc1ccc(O)cc1,0,0,0,0
CC(C)Oc1ccc(Nc2nc(=O)n(Cc3ccccc3)c(=O)n2Cc2ccc(Cl)cc2)cc1F,0,0,0,0
CCOc1ccc(CNCc2cccnc2)cc1,0,0,0,0
O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(Cl)cc1,0,0,0,0
COc1cc2c(cc1OCCc1ncsc1C)Cc1c(-c3ccc(C#N)cc3)n[nH]c1-2,0,0,0,0
Clc1ccc(OCCCCCCCN2CCCCC2)cc1,0,0,0,0
Cc1nc2scc(C)n2c(=O)c1S(=O)(=O)NCc1ccccc1Cl,0,0,0,0
CCCC(=O)Nc1cccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,1,0,0,0
Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(Br)s2)C3)CC1,0,0,0,0
CCCc1[nH]nc2c(=O)[nH]c(-c3ccccc3)nc12,0,0,0,0
COc1ccc(N=C2C(=O)N3CCCc4cccc2c43)cc1,0,0,0,0
CN(C)C(=O)CN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1,0,0,0,0
Cn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2,1,0,0,0
O=C(Cn1c(N2CCN(c3ccccc3)CC2)nc2ccccc21)c1ccccc1,1,0,0,0
CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1,0,0,0,0
COc1cc(OCc2csc(-c3ccc(C(=O)N4CC(OC)C4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CCOC(=O)C1CCCN1C(=O)c1ccc(OC)c(Br)c1,0,0,0,0
O=C1Nc2ccccc2C1=Cc1cccnc1,0,0,0,0
O=C(O)CNC(=O)c1ncc(-c2cccc(Cl)c2)cc1O,0,0,0,0
CCC(=O)C(O)CCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O,0,0,0,1
CC1Sc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2NC1=O,0,0,0,0
O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)Nc1ccc2c(c1)OCCO2,1,0,0,0
Cc1cc(Nc2ccc(F)cc2Cl)n2nc(C)nc2n1,0,0,0,0
CC(C)OP(=O)(OC(C)C)C(Nc1ccc(C(=O)O)cc1)c1ccccc1,0,0,0,0
NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCCO,0,0,0,0
C[C@@](C(=O)O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)(c1ccccc1)N1CCCCC1,0,0,0,0
C=CCOc1ccccc1CNCc1cccnc1,0,0,0,0
Cc1cccc([C@@H]2C[C@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)n1,0,0,0,0
COc1ccc(-c2ccc3cnc(Nc4ccc(N5CCN(C)CC5)c(Cl)c4)nn23)cn1,0,0,0,0
CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1,0,0,0,0
Cc1cccc(OCCC(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2N2CCOCC2)c1,1,0,0,0
Clc1cccc(-c2cnc(N3CCOCC3)nc2)c1Cl,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(Cc1cccs1)NCc1ccc(Cl)cc1Cl,0,1,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(Cl)c4)nn32)CC1,0,0,1,0
CCOc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)c(Cl)c1,0,0,0,0
Clc1cc2c(c(CSc3nc4ccccc4n4cccc34)c1)OCOC2,0,0,0,0
CC(C)=CC1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1,0,0,0,0
CC(C)CCN1CCN(Cc2cccc(C(F)(F)F)c2)CC1CCO,0,0,0,0
COc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)cc1OC,0,0,0,1
CC(C)(O)COc1cc(-c2cnn(CCO)c2)c2c(c1)[C@](O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Br)c1ccccc1F,0,0,0,0
CCc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1,0,0,0,0
COc1ccccc1-c1c(C)oc2c(CN3CCOCC3)c(O)ccc2c1=O,0,0,0,0
CN(C)CCCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1,1,0,0,0
Cc1ccc(C(C)C)c(OCC2=NCCN2)c1,0,0,0,0
CC(C)NC(=S)NN=Cc1ccc(N2CCOCC2)cc1,0,0,0,0
Oc1ccccc1C1NCc2ccccc2-n2cccc21,0,0,0,0
NC(=O)CCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
CCN(CC)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
CCS(=O)(=O)N1CCCC(C(=O)Oc2ccc(Br)cc2)C1,0,0,0,0
Cc1cc(N=CC2=C(O)CCCC2=O)no1,0,0,0,0
C=CCSc1nc(=O)n2ccccc2n1,0,0,0,0
CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)C,0,0,0,0
COc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,0,0,0,0
O=C1C2C(C(=O)N1/N=C/c1ccc([N+](=O)[O-])o1)C1C=CC2C12CC2,0,0,0,0
CC(C)NC(=O)N(C(=O)[C@H]1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@@]21C)C(C)C,0,0,0,0
Cc1c(C(=O)N2CCCCC2)nnn1-c1nonc1N,0,0,0,0
O=c1n(CCc2ccc3ccccc3n2)nc2ccc(Br)cn12,0,0,0,0
O=c1c2sc3ccccc3c2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccccc1,0,0,0,0
Cc1cnc(CNc2cc(-c3ccccc3Cl)ncn2)cn1,0,0,0,0
Cc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1,0,0,0,0
Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Nc3ccccc3)c(Cl)c2c1,0,0,0,0
CNc1ncnc2c1ncn2[C@@H]1SC[C@@H](O)[C@H]1O,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SC(C)C)cc1,0,0,0,0
Cc1ccc(NC(=O)CCC(=O)N/N=C/C=C/c2ccccc2)cc1,1,0,0,0
CN(C[C@@H](CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cncc2ccccc12,0,0,0,0
CC(C)CCn1c(Oc2ccc(Cl)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)CC2NC(=O)NC2=O)CCCCC1,0,0,0,0
N#C[C@@H]1C[C@H](NCC(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1,0,0,0,0
COc1ccc(N2C(=O)/C(=C/c3cc(F)c(O)c(Cl)c3)OC2=S)cc1,0,0,0,0
O=C(Nc1ccc(-c2nnn(CC(=O)N3CCN(C(=O)c4ccco4)CC3)n2)cc1)c1ccccc1F,0,1,0,0
CSc1nccc(-c2cc(Cl)sc2Cl)n1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2ccc(C[S+]([O-])c3ccccc3C)o2)CC1,0,0,0,0
Cc1ccc(NCc2ccccc2O)cc1C,0,0,0,0
CCc1ccc(-n2c(C)nc3cc(C(=O)NCc4cccnc4)ccc32)cc1,1,0,0,0
COc1ccc(OC)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)c1,0,0,0,0
COC(=O)c1ccc(Nc2ncc3c(n2)-c2sc(C)nc2CC3)cc1,0,0,0,1
CCNC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(NC1CC2CCCC(C1)N2CC(=O)N1CCCc2ccccc21)C1CCCCC1,1,0,0,0
COc1nc(Nc2ncc3c4ccncc4n(C4CCC(C)CC4)c3n2)ccc1N1CCC2(CCC(=O)N2)CC1,0,0,0,0
Cn1ccnc1SCc1ccc(Cl)cc1Cl,1,0,0,0
CS(=O)(=O)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
COc1ccc(CNc2nnc(SC)[nH]2)cc1OC,0,0,0,0
Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3)nc2c1,1,0,0,0
COc1cc(N2Cc3ccc(-c4ccc(C)c(C)c4)nc3C2=O)ccc1OCCN1CCCC1,0,0,0,0
Cc1ccc(N2C(=O)C3C(c4ccccc4)(C2=O)C3(c2ccccc2)c2ccccc2)cc1,1,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)c3)cc2F)cn1,0,0,0,0
COc1ccc(CN(C(=S)Nc2ccccc2)C2CC(=O)N(c3ccccc3)C2=O)cc1,0,0,0,0
COc1ccc(C(=O)O)cc1Nc1nc2ccc(C)cc2n2cnnc12,0,0,0,0
CCOc1cccnc1Nc1cccc(C)n1,0,0,0,0
CCC(C)c1ccccc1OCCOCCN1CCCC1,0,0,0,0
O=c1[nH]c(=S)n(C2CC2)c(O)c1/C=N/N1CCOCC1,0,0,0,0
CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC)cc3)c(-c3ccc(NC(C)C)cc3)[nH]2)cc1,0,0,0,0
COC(=O)NC[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccc(F)cc1-c1ncccn1,0,0,0,0
CCCCCC1CN(Cc2ccccc2)C(=O)C1CC(=O)NCc1ccc(OC)cc1,1,0,0,0
Cc1cc(OCCCC(=O)N2CCCCC2)cc(C)c1Cl,1,0,0,0
Cc1c(O)ccc2c3c(c(=O)oc12)CCC(C)C3,0,0,0,0
Cc1c(O)ccc2c3c(c(=O)oc12)CCCC3,0,0,0,0
O=c1c2ccccc2c(C=NCCCN2CCOCC2)c(O)n1Cc1ccccc1,0,0,0,0
CCOCCn1c(C(=O)C2CCN(CCC3(c4ccc(OC)c(OC)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21,0,0,0,0
CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC(C)C)nc2)s1,0,0,0,0
O=C1CCC(c2ccc(OCCCN3CCCCC3)cc2)=NN1CC(F)(F)F,0,0,0,0
CCOC(=O)NC1N=C(c2ccc(Cl)cc2)c2ccccc2-n2c(C)nnc21,0,0,0,0
Cc1cc(-c2nc(C)c3sc4cc(OCc5ccc6ccccc6n5)ccc4n23)ccn1,0,0,0,0
CC(C)Oc1nc(-c2ccccc2Cl)nc2ccccc12,0,0,0,0
O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1,0,0,1,1
COc1cccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)c1,1,1,0,0
CSC1=N/C(=C\c2ccc(C)s2)C(=O)S1,0,0,0,0
CCCCS(=O)(=O)NC1=NCN(CCOC(=O)c2ccccc2)CN1,0,0,0,0
CCC(=NNC(N)=O)C1C(=O)NC(=O)NC1=O,0,0,0,0
Cc1cccc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12,0,0,0,0
CCC1(CC)C(=O)NC(=O)NC1=NCCc1ccc(O)cc1,0,0,0,0
COc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1,0,0,0,0
O=S(=O)(Cc1ncc(C(F)(F)F)cc1Cl)c1ccccc1,0,0,0,0
COc1ccccc1-n1c(SCC(=O)NC2CCS(=O)(=O)C2)nc2cc([N+](=O)[O-])ccc21,1,0,0,0
Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1C,0,0,0,0
CCOc1cc(OCC)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,0,0,0,0
COc1cc(OC)c(OC)cc1CNC(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1,1,0,0,0
Cn1ccc2c(CNc3nc(=NC4CC4)n4nc/c(=C\c5[nH]c(=O)[nH]c5O)c4n3)cccc21,0,0,0,0
COc1cc(C=C2CCC3COCC(c4cc(F)c(F)c(F)c4)N3C2=O)ccc1-n1cnc(C)c1,0,0,0,0
CCn1nc(C)c2c1CCN(C(C(=O)NC)c1ccccc1)C2Cc1ccc(C(F)(F)F)cc1,0,0,0,0
Cc1cccc(OCCCN2C(=O)C(=O)c3cc(C)ccc32)c1,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1,0,0,0,0
O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccccc1,1,0,0,0
CCOc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
O=C(O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1cccnc1,0,0,0,0
Cc1cc(CCCCCCCCc2cc(C)cc(=O)o2)oc(=O)c1,0,0,0,0
Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3cc(F)cc(F)c3)CCCC2)n1,0,0,0,0
COc1ccc(/C(N)=N/OC(=O)Cc2cccs2)cc1OC,0,1,0,0
CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCCC1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(O)CC[S+]([O-])CC[C@@H](OC)C[C@@H](C)CC(=O)N1C,0,0,0,0
O=C(c1ccc(F)c(O)c1)c1cccc(Oc2ccccc2)n1,0,0,0,0
Cc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
COC(=O)c1cc(-c2ccc(OC)cc2)c(-c2cccnc2)n(C)c1=O,0,0,0,1
Cc1cccc(-c2[nH]c(NCc3ccc(C#N)cc3)nc2-c2ccc3c(c2)OCO3)n1,0,0,0,0
COc1cc(S(=O)(=O)n2cnc3ccccc32)ccc1Br,0,0,0,0
Clc1ccc(C(Cc2ccncc2)c2ccc3c(c2)OCCO3)cc1,0,0,0,0
O=S(=O)(c1cccc(S(=O)(=O)N2CCC(n3nnc4ccccc43)CC2)c1)N1CCCCC1,1,0,0,0
O=C(c1ccc([N+](=O)[O-])s1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](O)(CF)CO3)C1=O,0,0,0,0
OCCCCOc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1cc(Cl)c2c(c1)C1(CCCCC1)NC(=O)N2,0,0,0,0
Cc1cccc(-n2c(-c3csc(C)c3C)n[nH]c2=S)c1,0,0,0,0
O=Cc1cn(-c2ccccc2)nc1-c1ccccc1,0,1,0,0
Cn1c(-c2ccc(CN3CCCCC3)o2)nc2ccccc21,0,1,0,0
CCN(CC)CCNC(=O)CCCNC(=O)Cn1cnc2sc(C)c(C)c2c1=O,0,0,0,0
CC(C)CCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0,0,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCCC3)cc2)n1,1,0,0,0
Cc1ccc(Oc2ccc(Nc3cncc(N)n3)cc2)cc1,0,0,0,0
CN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0,0,0,0
CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CC4)no3)cc12,0,0,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(Cl)c2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Fc1ccc(-c2nc3n(c2-c2ccnc(NC4CCC4)n2)[C@H](Cn2ccnc2)CC3)cc1,0,0,0,0
O=C(c1ccc(COCC(F)(F)F)o1)N1CCCC1,0,0,0,0
CCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)CCC(=O)OC)C1,0,0,0,0
CC(C)(C)NC(=O)N1CCn2c(c(C(N)=O)c(-c3cccc(Oc4ccccc4)c3)c2C2CC2)C1,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)C(C)C)cc4)cc23)c1F,0,0,0,0
NC(=O)N1CCCc2cc(-c3cncnc3)cnc21,0,0,0,0
CN1C(=O)C(C2(C#N)CCCCC2)C(=O)N(C)C1=O,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(C(C)(C)C)c3)c(F)c2)CC1,0,0,0,0
CN(C(=O)/C=C/c1ccoc1)[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0,0,0,0
COc1cc(C(=O)NCCCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2,0,0,0,0
COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc4ccccc34)CC1)CCC2,0,0,0,0
Cc1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@@H]3C)n1,0,0,0,0
NCc1ccccc1C1(O)CCN(CC2CCCCCC2)CC1,0,0,0,0
CC(C)COc1ccc(CC2C(=O)NC(=S)NC2=O)cc1,0,0,0,0
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C)sc3c2)cc1,1,0,0,0
COc1ccc(CCN(C)C(=O)CNC(=O)Cc2cccc3ccccc23)cc1OC,1,0,0,0
Cc1cc(Nc2ccccc2)n(CCO)n1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(CCC(=O)O)cc1,0,0,0,0
C=CCOc1cc(Cl)c(Cc2ccc(OC)cc2)cc1[C@H]1O[C@@H](OC)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CC(C)(C)OC(=O)n1c(-c2ccc(OCCO)cc2)cc2ccccc21,0,0,0,0
CN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,0,0,0,0
CN(CCOc1ccccc1)C(=O)CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3,1,0,0,0
O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1cccc(Cl)c1,0,0,0,0
CCCCNC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O,0,0,0,0
CCCCN(Cc1cc(OC(F)(F)F)ccc1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
COCCn1cnc2c1c(=O)n(CC(=O)OCC#N)c(=O)n2Cc1ccccc1,0,0,0,0
COc1nn(Cc2cccc(Oc3ccccc3)c2)c(=O)o1,0,0,0,0
CCSc1nc(CC)c2c(c1C#N)CCCC2,0,0,0,0
O=C(O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1,0,0,0,0
CC(c1ccc2c(c1)Cc1ccccc1-2)N1CCC(N2C(=O)Cc3ccccc32)CC1,0,0,0,0
Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn23)n1,1,0,0,0
Cc1ccc(-c2nc3c(C)cccn3c2Nc2ccccc2C)s1,0,0,0,0
Brc1cccc(CNCCSc2nnnn2-c2ccccc2)c1,0,0,0,0
COc1ccc(C(=O)NN=CC23CCC(O)CC2(O)CCC2C3CCC3(C)C(C4=CC(=O)OC4)CCC23O)cc1,0,0,0,0
CN1C(=O)C2(CC(C)(C)Sc3ccc(-c4cncnc4)cc32)N=C1N,0,0,0,0
CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,0,0,0,0
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCn1nnc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1I)C(=O)O)C(=O)O,0,0,0,0
c1ccc(CCNc2cccc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)cc1,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccc5ncccc5c4)C3)c2cc1OC,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CO)cc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](Oc2ccc(Cl)nc2)C1,0,0,0,0
CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1,0,0,0,0
C[C@@H]1CC[C@H]2[C@@H](C)C(=O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@]32OO4,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(CCC2=CCCCC2)c1,0,0,0,0
CCOc1ccc(NC(=S)NN=C(C)Cc2ccc(OC)cc2)cc1,0,0,0,0
CN(C)CC(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1,0,0,0,0
CC(C)N1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,0,0,0,0
CCc1cc(-c2noc(-c3ccnc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO,0,0,0,0
CN1Cc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3c(c2)C(CC3)N2CCC1C2=O,0,0,0,0
Cc1ccc(C)c(N2CCN(c3nc4ccccc4c4nc(CCn5nc(C)cc5C)nn34)CC2)c1,0,0,0,0
CC(C)C[C@H](CO)Nc1nc(SCc2cccnc2)nc2nc(N)sc12,0,0,0,0
COCCCc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
Nc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2c(Cl)c(-c3cccc4nnsc34)oc12,0,0,0,0
Cc1cc2c(cc1C)NC(c1ccccn1)C1C(=O)CC(C)(C)CC1=N2,0,0,0,0
CCOc1ccc(CN2CCC(C(=O)N3CCN(c4ccccc4F)CC3)CC2)cc1OC,1,0,0,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(C(C)C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1,1,0,0,0
Cc1cccc(N2CCN(C(=O)c3ccc(C[S+]([O-])c4cccc(Cl)c4)o3)CC2)c1C,1,0,0,0
C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)C[C@H](C)N1,0,0,0,0
CCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
Cc1c(N=Nc2c(O)[nH]c(=S)[nH]c2=O)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1ccccc1-c1coc2c(CN3CCOCC3)c(O)ccc2c1=O,0,0,0,0
CN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2ccc(Br)cc2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)CC2)cc1,1,0,0,0
S=C(NCCCc1ccccc1)Nc1ccc(Br)cc1,0,0,0,0
c1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)cc1,0,0,0,0
NCc1cc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)nc(C(F)(F)F)c1,0,0,1,0
CC1(C)CSC(Nc2ccc(F)c(Cl)c2)=N1,0,0,0,0
CC(=O)N[C@@H]1CSSC[C@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
O=S1(=O)CCN(CCc2c[nH]c3ccccc23)CC1,0,0,0,0
CCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccc(OC)cc1,0,0,0,0
C=CC(=O)Nc1cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CC(C)N(C)C(C)C5)cc4OC)nc32)cc(C(F)(F)F)c1,0,0,1,0
O=c1[nH]c(O)c(C=Nc2ccc(CN3CCCCC3)cc2)c2cc(I)ccc12,0,0,0,0
O=c1cc(Cn2c(C3CCCC3)nc3nccnc32)c2ccc(F)c(F)c2[nH]1,0,0,0,0
CC(CN1CCCC1)OC(=O)c1ccccc1Cl,0,0,0,0
CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0,0,0
Cc1cccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)c1,0,0,0,0
Cc1ccc(C)c(CN2C(=O)C(O)(c3c[nH]c4ccccc34)c3ccccc32)c1,0,0,0,0
NCC1CCCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)C1,0,0,0,0
CCCCOC(=O)NS(=O)(=O)c1sc(CC(C)C)cc1-c1cccc(Cn2ccnc2)c1,0,0,0,0
CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(OC(C)C)cc4)c3cc21,0,0,0,0
CC(C)[C@H](N)CNc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,0,0,0,0
CNC(=O)c1ccc(OC)c(-n2nc3c(c2C(C)C)C(c2ccc(Cl)cc2C)N(c2cc(Cl)ccc2C)C3=O)c1,0,0,0,0
Cc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)n1,0,0,0,0
CC(=O)O[C@H](c1ccccc1)[C@H]1CCCCN1,0,0,0,0
Cc1occc1C(=O)n1ccnc1,0,0,1,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2cccc(C#N)c2)CC1,0,0,0,0
COc1cccc(C(C(=O)NC(C)(C)C)N(Cc2ccc(C)cc2)C(=O)CCC(=O)Nc2cc(C)on2)c1OC,1,0,0,0
CC1(C)c2cc(C(=O)N3CCOCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
CCN1CCCC(OC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1,1,0,0,0
CCOc1cccc(C2NCc3ccccc3-n3cccc32)c1O.Cl,0,0,0,0
C=Cc1cncc(-c2ccc(C(C)C(=O)O)cc2)c1,0,0,0,0
CC(C)N(Cc1ccccc1)C(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1,1,0,0,0
CCOc1nc(-c2ccc(Cl)cc2)nc2ccccc12,0,0,0,0
NS(=O)(=O)c1ccc2nc(NC(=O)c3ccncc3)sc2c1,0,1,0,0
COc1cc(-c2nnc(-c3ccncc3)o2)ccc1OCc1ccccc1,1,0,0,0
COC(=O)c1sc2nc[nH]c(=O)c2c1C,0,0,0,0
CC(C)(C)n1nnnc1C(c1cccc(C#N)c1)N1CCC(Cc2ccccc2)CC1,0,0,0,0
CCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccc(C(=O)O)cc5OC)nc3-4)cc2)cn1,0,0,0,0
C[C@]12CCC(=O)CCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12,0,0,0,0
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCN2CCN(C)CC2)cc1Cl,0,0,0,0
COc1cccc(Cn2cccc(/C=C/C(=O)NO)c2=O)c1,0,0,0,1
COc1ccc(NC2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)cc1OC,0,0,0,0
COc1ccc2nc(C)c3c(C)nc(CC(C)C)n3c2n1,0,0,0,0
CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)F)c1,0,0,0,0
CC(=O)NC1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1,0,0,0,0
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ncnc(Nc3ccc(C#N)cc3Cl)c1[N+](=O)[O-])C2,0,0,0,0
CCCOc1ccc(C(=O)N2CCCC2)cc1OC,0,0,0,0
Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1,0,1,0,0
N#Cc1ccc(C(c2ccc(OS(N)(=O)=O)cc2)n2cncn2)cc1,0,0,0,0
O=[N+]([O-])c1cc([N+](=O)[O-])c(=Nc2ccccc2O)c2no[nH]c1-2,0,0,0,0
CCN(CC)C(=O)c1ccc(N(c2ccc(C(N)=O)cc2)C2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
C[C@@H]1CN(C(c2ccccc2)c2ccccc2)CC[C@@]1(O)c1ccccc1,0,0,0,0
NC(Cc1nn[nH]n1)C(=O)O,0,0,0,0
COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc2sc(C)nc2c1,0,0,0,0
Cc1c2c(c3c([nH]c4ccccc43)c1C)C(=O)NC2=O,0,0,0,0
C#Cc1ccc(C2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)OC(OCC)C2CCCO)cc1,1,0,0,0
Cc1ccc(C2=NN(C(=O)c3ccco3)C(O)(C(F)(F)F)C2)cc1,0,1,0,0
COc1cccc(-n2c(-c3cccc(F)c3)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1,0,0,0,0
N#Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1,0,0,0,0
CN1CCN(C(=O)c2cnc(=O)[nH]c2Oc2cc(Cl)ccc2Cl)c2ccccc21,0,0,0,0
COc1ccc(-c2cnc3c(NCCO)snc3c2)cc1OC,0,0,0,0
Cc1cc(Nc2ccc(F)c(Cl)c2)n2ncnc2n1,0,0,0,0
O=c1cc(CSc2nnc(-c3cccs3)n2Cc2ccccc2)nc2sc3ccccc3n12,1,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc2ccccc2cc1OC,1,0,0,0
COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1,0,0,0,0
N#CC(C(=O)COc1cccc2ccccc12)=C1Nc2ccccc2N1,1,0,0,0
O=C(c1ccc(Cl)cc1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
O=C1CSC(=NNC(=O)c2ccccc2)N1,0,0,0,0
COc1ccc(NC(=O)CSCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,1,0,0,0
COc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,0,0,0,0
Cc1c(C(=O)NCCO)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
CCOC(=O)CSc1nc(C)c2cc(C)c(C)cc2n1,0,0,0,0
Cc1cc(-c2cnn(C(CO)(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1c(Cn2ccn3c(=O)cc(N4CCO[C@@H](C)C4)nc23)cccc1C(F)(F)F,0,0,0,0
CCCC(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1,0,0,0,0
O=S(=O)(N1CCOCC1)N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
CC(=O)Nc1nc2c(F)cc(-c3cncc(S(C)(=O)=O)c3)cn2n1,0,0,0,0
O=C1Nc2c(Cl)ccc(Cl)c2C2(CCCCC2)N1,0,0,0,0
NC(=O)C1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCCC1,0,0,0,0
S=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,0,0,0,0
Cc1ccc2nc(-c3ccncc3)c(Nc3ccc(C(C)C)cc3)n2c1,0,0,0,0
CC(C)Sc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1,0,0,0,0
CCn1cc(CN(C)C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)n1,1,0,0,0
Cc1cc(OC(F)(F)F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21,0,0,0,0
CCc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1,0,0,0,0
C=CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,0,0,0,0
O=c1[nH]c(O)c2c1c1c3cc(Cl)ccc3nc1c1cccn12,0,0,0,0
CCCCNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,1,0,0,0
COc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1,0,0,0,1
O=C(NC(=O)c1ccccc1F)OCc1ccc(Cl)cc1Cl,0,1,0,0
N#Cc1nc(Cc2ccccc2)oc1N1CCCC1,0,0,0,0
Cc1ccc2ncnc(Oc3ncccc3NC(=O)C(C)(C)C)c2c1,0,0,0,0
NS(=O)(=O)c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,0,0,0,0
Cc1cccc(CSc2ccc3nnc(-c4cccnc4)n3n2)c1,0,0,0,0
O=C(C[C@@H](CCCC1CCCCC1)c1nc(-c2cnccn2)no1)NO,0,0,0,0
Cc1nccc2c1[nH]c1cc(OCCc3ccccc3)ccc12,0,0,0,0
Cn1nc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c2c1-c1ccccc1S(=O)(=O)C2,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)F)cc2Cl)cc1,0,0,0,0
CC(F)c1nn2cc(-c3cc4c(OCc5ccccc5)cccc4o3)nc2s1,0,0,0,0
CC1=C(C(N)=O)C(c2cccc(Br)c2)N2N=C(SCc3ccccc3)NC2=N1,1,0,0,0
COCCCNC(=O)CCc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
FC(F)(F)c1cnc(Oc2cccc3ccccc23)c(Cl)c1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(N)=O)cc1[N+](=O)[O-],0,0,0,0
O=C(O)COc1ccc(Cl)cc1C1c2scnc2CCN1C(=O)OCC1CCCCC1,0,0,0,0
Cc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1,0,1,0,0
CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
CCCCc1c(-c2ccc(Cl)cc2)[nH]c2nccnc12,0,0,0,0
NC(=O)COc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)cc1,0,0,0,0
N/C(CN(Cc1ccccc1)c1ccccc1)=N\O,0,0,0,0
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C,1,0,0,0
c1ccc2c(CSc3nnc(-c4ccncc4)o3)cccc2c1,0,0,0,0
CC(C)(O)/C=C/C(=O)[C@](C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(C[C@H](O)[C@@H](O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,0,0,0,0
CC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3C)ccc21,0,0,0,0
CN1CCC(COc2cc(NC(=O)N3CCCc4cc(C(F)F)c(C=O)nc43)ncc2C#N)CC1,0,0,1,0
O=Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1,0,1,0,0
CC1(C)[C@@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(C#N)nc4)cc23)CC[C@@]1(C)C(N)=O,0,0,0,0
O=C(NCCCCCCS)c1cc(-c2cccnc2)n[nH]1,0,0,0,1
CCOC(=O)C1=C(COC(=O)CCc2ccc(F)cc2)NC(=O)NC1C,0,0,0,0
COc1cc2cc(-c3ccc(F)c(F)c3)cnc2cc1OC,0,0,0,0
O=C1NCc2cc(-c3[nH]ncc3CN3CCCN(c4ccc(C(F)(F)F)cn4)CC3)ccc2N1,0,0,0,0
CC1(C)CN=C(Nc2ccc(F)c(Cl)c2)S1,0,0,0,0
O=C(CCCCCNc1nc(NCc2ccccc2)nc2nc[nH]c12)NO,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@@]1(O)C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
O=S(=O)(Cc1ccccc1)c1nc2ccccc2n1Cc1ccccn1,0,0,0,0
CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1,1,0,0,0
CC(=O)Oc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1,0,0,0,0
N/C(Cn1cncn1)=N\OC(=O)c1ccc(Cl)cc1Cl,0,0,0,0
CCOc1ccc(OCCSc2nnnn2-c2ccccc2)cc1,0,0,0,0
Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C=O,0,0,0,0
COC(=O)c1ccc(Cn2nnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)o1,0,0,0,0
O=S(=O)(c1ccc(Cl)s1)n1cc(C2CCCNC2)c2ccccc21,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3c(F)cccc3Cl)CC2)C1,0,0,0,0
O[C@H](c1ccc(-c2cc(Nc3nccc(C(F)(F)F)n3)ccc2F)cc1)C(F)F,0,0,0,0
CCC(c1nnnn1C(C)(C)CC)N1CCN(c2ccccc2F)CC1,0,0,0,0
O=C(c1cccnc1)N1C[C@@H]2C(CNc3nc(-c4ccccn4)cs3)[C@@H]2C1,0,0,0,0
COc1ccc2[nH]cc(CCNCCCCc3ccccc3)c2c1,0,0,0,0
COc1cccc(C=NNc2nc(C)cc(=O)[nH]2)c1OC,0,0,0,0
NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)cc3)ccc2=O)cc1,0,0,0,0
CC(/C=C\c1ccccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)CCCC2)N1CCCC1,0,0,0,0
Cc1cc(C=C2SC(=S)NC2=O)c(C)n1-c1ccccc1,0,0,0,0
COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCC3COC)cc2)CC1,0,0,0,0
Cc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c(C)c1,0,0,0,0
CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)N(c1ccc(F)cc1)C(=O)NC2(C(F)(F)F)C(F)(F)F,0,0,0,0
Cc1ccn2nc(CCc3nc(N4CCCC4)nn3C)nc2c1C,0,0,0,0
CC1=C(C(=O)Nc2ccc(C)cc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,0,0,0,0
CCCCCn1cc2c(=O)n(-c3cccc(C(F)(F)F)c3)nc-2c2ccccc21,0,0,0,0
Cc1cccc(CC2CC(=O)N(c3ccccc3)C2=O)c1,0,0,0,0
CC(=O)NCCNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12,0,0,0,0
CC(C)CC1CC(=O)OC1(C)C(=O)CSc1nc2ccccc2s1,0,0,0,0
Cn1c2ccccc2c2cc(/C=N/NC(=O)c3ccc(N)cc3)ccc21,0,1,0,0
CC[C@H](C)[C@@H]1NCCCNCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O,0,0,0,0
CCc1nnc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(-c3ccccc3)c2C#N)s1,1,0,0,0
Nc1ccccc1NC1CCCCC1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3nc4ccccc4[nH]3)c2)cc1,1,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4cccc(C)c4)cc(C)c3CC[C@@H]12,0,0,1,0
CCCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1,0,0,0,0
CCOC(=O)CC(C)=NNC(=O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1,0,0,0,0
CC(C)(C)NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1CC,0,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(C(F)(F)F)cc2)cc1,0,0,0,0
O=[N+]([O-])c1ccccc1NCc1ccccc1Cl,0,0,0,0
O=C(O)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,0,0,0,0
COc1cc(Cl)c(C)cc1NC(=O)c1ccc(CN2C(=O)CCn3nc(C)cc32)cc1,1,0,0,0
O=C1/C(=C/c2cccs2)Sc2ccccc21,0,1,0,0
Cc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1,1,0,0,0
COc1cc2[nH]c(N(C)C)cc(=O)c2cc1-c1cnco1,0,0,0,0
Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(Cl)c1,0,0,0,0
O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(C(F)(F)F)cc1,0,0,0,0
COc1ccc(-c2c[nH]cc(C(=O)Nc3ccc4c(c3)NC(=O)/C4=C\c3ccc[nH]3)c2=O)cc1,0,0,0,0
Cc1ccc(N(Cc2cccs2)C(=O)c2ccc(OC(C)C)cc2)cc1,0,0,0,0
CC1CC(=O)NN=C1c1ccc(NCCO)c([N+](=O)[O-])c1,0,0,0,0
CC1CCC(C(C)C)C(OC(=O)c2ccccc2N)C1,0,0,0,0
C[C@H](N)C(=O)N[C@H]1CSCc2cc3cc(c2)CSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@H](C)O)NC1=O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)NCC(N)=O)CSC3,0,0,0,0
CN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1,0,0,0,0
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)N2CCCC2)C2CC2)C1=O,0,0,0,0
O=C(/C=C/c1ccc(CNCc2c[nH]c3ccccc23)cc1)NO,0,0,0,1
CC(C)N1CCC(Oc2ccc3cc(C(=O)N4CCOCC4)[nH]c3c2)CC1,0,0,0,0
COc1cccc(/C=N/NC(=S)Nc2cccc(C(=O)O)c2)c1O,0,1,0,0
S=C1NC2=C(CCCC2)C2(CCCCC2)N1,0,0,0,0
CC(C)C1(C)OC(=N[C@@H](C)c2ccccc2)NC1=O,0,0,0,0
Fc1ccccc1CNc1ccc(Cl)c(Cl)c1,0,0,0,0
CCCCCCOc1ccc(CN2CCN(CC)CC2)cc1,0,1,0,0
CCCCc1cc(=O)oc2c(C)c(OCC(=O)N3CCCC3)ccc12,1,0,0,0
COc1ccc(C=NNC(N)=S)cc1OC(=O)c1cccc2ccccc12,0,0,0,0
CC(C)C(NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2,0,0,0,0
CC[C@]1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C[C@H]1C,0,0,0,0
CCC(OC)(c1cccc(OCc2ccc3ccccc3c2)c1)c1cscn1,0,0,0,0
CC(C)Oc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
C=CC(=O)Nc1ccnc(Sc2c(OC)nc(N3CCCC3)nc2OC)n1,0,0,1,0
C[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,0,0,0,1
O=C(O)c1ccc(C=NNC(=S)NCc2ccccc2)cc1,0,0,0,0
COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,0,0,0,0
COCC(=O)N[C@@H](Cc1cccc(-c2cncs2)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21,0,0,0,0
CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(c3ccc(Cl)cc3)CSC2=O)c1,0,0,0,0
CCOC(=O)C1C(=O)OC(C)(C)C1C(CC)C(=O)c1ccccc1,0,0,0,0
COc1ccc(/C=C2\N=C3CCCN3C2=O)cc1,0,1,0,0
COCC(C)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1,0,0,0,0
Cn1c(CN2CCCCC2)c(C#N)c2ccccc21,0,0,0,0
CC#Cc1cncc(-c2cccc([C@@]3(C4CC4)N=C(N)N(C)C3=O)c2)c1,0,0,0,0
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](CC)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1,0,0,0,0
COCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
Nc1ccc(C(=O)OCc2nc3ccccc3s2)cc1,0,1,0,0
Cc1ccc(C(=O)C2CCN(C(=S)NCC3CCCO3)CC2)cc1,0,0,0,0
CCCC(C)NC(=O)CSc1nnc2ccccn12,0,0,0,0
CN(C)C(=O)CCCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(F)c1,0,0,0,0
C=CC(=O)Nc1cc(N2CCOCC2)ccc1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12,0,0,1,0
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccc(F)cc3)CC2)cc1,1,0,0,0
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(Cl)cc3)CC21,0,0,0,0
Cc1cc(C)c(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C)c1,1,0,0,0
COc1ccc(OC)c(-n2nnc(-c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)c2C)c1,0,0,0,0
CC(C)c1nc(SCC(=O)N2CCCC2)c2ccccc2n1,0,1,0,0
CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1nc(OC)c3ccccc3n1)c(=O)n2C,0,0,0,0
N=C(N)c1ccc2ccc(CN(CCc3cnc[nH]3)C(=O)c3cccc4ccccc34)cc2c1,0,0,0,0
CCOCCn1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(N3CCOCC3)cc21,0,0,0,0
Cc1ccc(C2=NN(CC(=O)NCCC(C)C)C(=O)CC2)cc1,1,0,0,0
COCCN(CCOC)c1nc(-c2ccc(C)cc2)nc2ccccc12.Cl,0,1,0,0
CC1Sc2ccc(S(=O)(=O)NCCc3ccccc3)cc2NC1=O,0,0,0,0
Cc1ccc(NCc2ccncc2)c(Br)c1,0,0,0,0
COC(=O)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC,0,0,0,0
O=C(O)CN1C(=O)C=CC1=O,0,0,0,0
CC(C)c1ccccc1NC(=O)COc1ccc(C(=O)NCCc2ccccc2)cc1,1,0,0,0
Cc1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCOCC3)n2)on1,0,0,0,0
O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccccc2Cl)C1,0,0,0,0
Cc1cc(NC(=O)C2CCCN(S(=O)(=O)c3c(C)noc3C)C2)no1,1,0,0,0
CCCCC(=NCCc1c(C)[nH]c2ccccc12)C1=C(O)CC(c2ccccc2)CC1=O,0,0,0,0
Cc1ccccc1CNCCSc1nnnn1C,0,0,0,0
COc1cccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2ccccc2)c1,0,0,0,0
CN(Cc1ccccc1)Cc1c(-c2ccc(N(C)C)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,0,0,0,0
Cc1ccc(NC(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)nc1,0,1,0,0
COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1O[C@@H]1C[C@H]2OC[C@H](OC)[C@H]2O1,0,0,0,1
Cc1cc(C)n(-c2cc(Cl)cc(Cl)c2)c(=O)c1C#N,0,0,0,0
O=C(O)CCCOc1cc(-c2cn[nH]c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CC(=O)NCCC1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)CC1,0,0,0,0
NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1,0,0,0,1
CC(C)c1nn(-c2ccc(C(N)=O)c(N(O)C3CCCCC3)c2)c2nccc(-n3cnc(-c4ccncc4)c3)c12,0,0,0,0
CCC(C(=O)Nc1ccc(C(C)C)cc1)n1nc(C)n2c(cc3cc(C)ccc32)c1=O,1,0,0,0
COc1ccc(S(=O)(=O)Nc2onc(C)c2C)c(-c2ccc(CC(C)C)cc2)c1,0,0,0,0
CCN(CC)C(=O)CC(c1ccc2c(c1)OCO2)c1c(OC)cc(OC)c2ccc(=O)oc12,0,0,0,1
CCC(=O)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1,0,0,0,0
COc1ccc(C2C=CCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2ccc(F)cc2)cc1,0,0,0,0
Cc1cc2n(n1)C(c1ccc(N(C)C)cc1)Nc1ccccc1-2,0,1,0,0
Cn1ccc2ccc3c4[nH]c5c(CCCN6CCOCC6)cccc5c4c4c(c3c21)C(=O)NC4=O,0,0,0,1
O=C1c2c(Br)cccc2S(=O)(=O)N1CSc1nnnn1-c1ccccc1,0,0,0,0
O=C(c1ccccc1)N1CCCC(C(=O)N2CCCCC2)C1,0,0,0,0
Oc1[nH]c2ccccc2c1C1=NCCCCC1,0,0,0,0
COC(=O)c1sccc1-n1cc2c(c1-c1ccccc1)c(=O)n(C)c(=O)n2C,0,0,0,0
CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3C[C@@H]4C[C@H]3CC4Cc3ccccc3)n2)on1,0,0,0,0
CC12CCC(C)(O1)[C@H]1C(=O)N(c3c(N)ccc4ncsc34)C(=O)[C@H]12,0,0,0,0
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1,0,0,0,0
C#CCOc1ccc(Cl)cc1C=C1C(=O)ON=C1C,0,0,0,0
C=C(C)Cc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)CC1,1,0,0,0
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CC(O)CN2CCCCC2)C1,0,0,0,0
COc1cc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)ccc1O,0,0,0,0
CCCCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
Cc1nc(N)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,0,0,0,0
COc1ccc(Br)cc1CNc1ccc(S(N)(=O)=O)cc1,0,0,0,0
CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCCCC2)CC1,0,0,0,0
Cc1cccc(C)c1-c1cccc(COc2cnc(CCC(=O)O)cn2)c1,0,0,0,0
O=c1nc(CN2CCN(CC=Cc3ccccc3)CC2)[nH]c2ccccc12,0,0,0,0
COc1ccc2c(c1)C(=O)N(Cc1ccco1)C(=O)C2=CNc1c(C)n(C)n(-c2ccccc2)c1=O,0,0,0,0
CCCCC(c1ccc(Cl)cc1)C1CCCCN1,0,0,0,0
CS(=O)(=O)N(CC(=O)N1CCC(C(N)=O)CC1)c1ccc(Oc2ccccc2)cc1,1,0,0,0
COc1cc(NC(=O)c2nccnc2N)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,1,1,0,0
COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)F)c1,0,0,0,0
COC1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1,0,0,0,0
O=[N+]([O-])c1ccc2c(c1)CN(c1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC2,0,0,0,0
Cc1nccc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)n1,0,0,0,0
COc1ccc(CSC2=NCCN2)cc1Cl,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3cnn(CCO)c3)c2)ccc1OC1CCOCC1,0,0,0,0
CCOC1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=CC(c2cn(C(C)=O)c3ccccc23)C1CCCO,1,0,0,0
CCOC(=O)c1nnsc1-c1ccc(-c2snnc2C(=O)OCC)cc1,0,0,0,0
COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
COc1ccc2oc(C(=O)N3CCN(c4ncccn4)CC3)c(C)c2c1,0,0,0,0
COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(OC(F)(F)F)cc3)=C2)cc1,1,0,0,0
CC(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1,0,0,0,0
Nc1nccc2ccc(CN3CC[C@H](NS(=O)(=O)c4cc5ncccc5s4)C3=O)cc12,0,0,0,0
c1ccc(COc2ccccc2CNC2CCCC2)cc1,0,0,0,0
Cc1c(Cl)cccc1NCC(=O)NN=C1CCCC1,1,0,0,0
CC(=O)N1C(C)CN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)O)cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1C,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)C2CCc3cc(F)c(Cl)cc32)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(Sc4ccc(Cl)cc4)cc3)[nH]c2c1,0,0,0,0
COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)cc1,1,1,0,0
CC(C)(Cc1ccccc1)NC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12,1,0,0,0
CS(=O)(=O)n1cc2c(n1)CN([C@@H]1C[C@H](N)C(c3cc(F)ccc3F)N(Cc3cncnc3)C1)C2,0,0,0,0
COc1cccc(-c2nc(NC3CCNCC3)c3ccccc3n2)c1,0,0,0,0
CCN1CCN(c2cc(C)c3cc(NC(=S)N4CCCC4)ccc3n2)CC1,0,0,0,0
COc1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,0,0,0,0
Cc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1,0,0,0,0
CN(C)CCOc1cc(NCc2ccccc2C(F)(F)F)ccc1Cl,0,0,0,0
CC[n+]1ccc(C)c2cc([S+]([O-])C(F)(F)F)ccc21.Cc1ccc(S(=O)(=O)[O-])cc1,0,0,0,0
CCc1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1,0,0,0,0
CC(=O)SCCCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)Nc1ccccc1,0,0,0,1
CC1N=NSC1=C1N=c2ccccc2=N1,0,0,0,0
COc1ccc([C@@H](Cc2ccccc2Cl)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,0,0,0,0
CCCCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0,0,0
O=c1[nH]c(=S)n(-c2ccccc2F)c(O)c1C=Nc1ccc(N2CCOCC2)cc1,0,0,0,0
CC1CCC/C1=N\Nc1nc(-c2ccc(F)cc2)cs1,0,0,0,0
O=C1CC(C(=O)N2CCN(c3ccccc3O)CC2)CN1Cc1ccccc1,0,0,0,0
CCCCNC(=O)CCCCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
COc1cc2c(Nc3ccc(Cl)c(Cl)c3Cl)ncnc2cc1O[C@@H]1C[C@H]2OC[C@H](OC)[C@H]2O1,0,0,0,1
O=C1C2Cc3c([nH]c4ccccc34)C(c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCO,0,0,0,0
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cnn(C)c5)C4)c3C2)cc1C(F)(F)F,0,0,0,0
COc1cc(OC)c(N=C2C=C(O)C(=O)c3ccccc32)cc1Cl,0,0,0,0
O=C1CSc2ccccc2N1Cc1ccc(F)cc1,0,0,0,0
O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)Nc1ccc(F)cc1,1,0,0,0
C=CCOc1c(Cl)cc(C2NC(=O)NC(C)=C2C(=O)OC)cc1Cl,0,0,0,0
CCCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1N[C@@H](C)C1CC1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(Nc3ccccc3N3CCOCC3)sc2Cl)cc1,0,0,0,0
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccncc3)cc2)ccc1F,1,0,0,0
Cc1ccc(Nc2nc(CSc3nnc(-c4ccncc4)n3-c3ccccc3C)cs2)cc1,0,1,0,0
CCO/N=C(\C)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1,0,0,0,0
Cc1sc2ncn(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1,1,0,0,0
CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccc(S(C)(=O)=O)cc3)cn2)CC1,0,0,0,0
Cc1cc(Nc2cccc(C)c2C)n2nc(C)nc2n1,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C)C3)c2cc1OC,0,0,0,0
Clc1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1,0,0,0,0
N#Cc1cc([N+](=O)[O-])ccc1N1CCCC1,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)s1,0,0,0,0
C[C@H](C(=O)c1ccncc1)c1ccccn1,1,0,0,0
COc1cc(-c2noc(C)c2C#Cc2nccn2C)cc(OC)c1OC,1,0,0,0
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccc(F)cc2)nc2ccccc12,1,1,0,0
Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc1,0,0,1,0
O=C(N/N=C/C1CC2CCC1C2)c1ccc2c(c1)OCO2,0,1,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1cccnc1[N+](=O)[O-],0,0,0,0
CCCOC(=O)c1ccc(-c2c(C)noc2-c2ccc(OC)cc2O)o1,0,0,0,0
Cc1cc2nc(CCN(C(=S)NCC3CCCO3)C3CCCC3)[nH]c2cc1C,0,0,0,0
Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0,0,0,0
COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C,0,0,0,0
Brc1ccccc1OCCCCCN1CCCC1,0,0,0,0
Oc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1,0,0,0,0
Cc1ccc(COc2ccc3c(c2)C(=O)OC3)cc1,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)CN(C)C)c(C=O)nc32)ncc1C#N,0,0,1,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)C(=O)N1,0,0,0,0
CCOc1ccc(CNC(=S)NN=Cc2ccc(OC)c(OC)c2)cc1,0,0,0,0
COc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1,0,1,0,0
NCCCCCNC1(c2ccccc2)CCCCC1,0,0,0,0
CC(C)(C)CC(c1ccc(Cl)cc1)C1CCCCN1,0,0,0,0
Oc1ccc(C(O)C2CCCCN2)cc1O,0,0,0,0
OC(CN(Cc1cccc(OCC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F,0,0,0,0
Cc1ccccc1-c1nc(CN2CCC(C(=O)N3CCC(C(N)=O)CC3)CC2)c(C)o1,1,0,0,0
CN1C(=O)C(=C2SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21,0,0,0,0
O=C(COC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)NCCC1=CCCCC1,1,0,0,0
Cc1ccc(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,1,0,0,0
COc1ccc(N(C(=O)CCCl)C(C#N)c2ccccc2)cc1,0,0,0,0
Nc1ncc(-c2cc(N3CCC3)nc(N3CC[C@H](F)C3)n2)cc1OC(F)F,0,0,0,0
Cc1cc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)n(C)n1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(=O)NCC(F)F,0,0,0,0
Cc1cc(N2CCc3nc(-c4c(C)cccc4C)nc(N4CCCC(C)(C)C4)c3C2)n(C)n1,0,0,0,0
COc1ccc2cc(-c3ccsc3)ncc2c1,0,1,0,0
O=[N+]([O-])c1ccc2c(c1)CNc1ccccc1O2,0,0,0,0
COc1ccc(C(C#N)Nc2ccccc2C)cc1,0,0,0,0
CCOC(=O)c1cccc(NC(=O)c2ccc3nc(C(C)C)oc3c2)c1,1,0,0,0
COc1cncc(-c2c[nH]c3ncnc(N4CCOCC4)c23)n1,0,0,0,0
CC(C)CC(N(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,0,0,0,0
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(-c3nccs3)n2)cc1OC(F)F,0,0,0,0
O=C1CC(c2nc(-c3ccccc3)no2)CN1c1ccc2c(c1)OCCO2,0,0,0,0
Cc1cccc(Nc2nnc(SCC(O)=C(C#N)c3nc4ccccc4[nH]3)s2)c1C,0,0,0,1
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(NCCN(C)C)nc4)c3c2)cc(Cl)c1O,0,0,0,0
COc1cccc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)c1OC,1,0,0,0
N#C[C@@H]1C[C@@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1,0,0,0,0
Cc1c(/N=C2\SCC(=O)N2N=Cc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCOCC4)c3)nn2CCCN2CCC(N3CCCC3=O)CC2)C1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c2ccccc12)N1CCC(O)(c2ccccc2Cl)CC1,0,0,0,0
Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Br)cc2)c1,0,0,0,0
Oc1ccccc1CNCCCCCNCc1ccccc1O,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3ccc(CN4CCNC(=O)C4)nc3)n2)cnc1N1CC[C@H](F)C1,0,0,0,0
C[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(Cl)cnc2O1,0,0,0,0
O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)N1CCCC1,0,0,0,0
CC#CC(=O)N1CC[C@@H](n2c(=O)n(-c3ccc(Oc4ccccc4)cc3)c3c(N)ncnc32)C1,0,0,0,0
O=C(O)CC1S/C(=N\N=C/c2ccccc2O)N(c2ccc(O)cc2)C1=O,0,0,0,0
O=S(=O)(Nc1cccc2c1CCCC2)c1cccc(C(F)(F)F)c1,0,0,0,0
COc1ccc(C(=O)COC(=O)c2ccc(OC)c(OC)c2)cc1OC,1,0,0,0
c1ccc(OCc2cccc(COc3ccccc3)n2)cc1,0,0,0,0
Cc1ccc(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)C2c2ccco2)c1,1,0,0,0
C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CC(C)(C)c1ccc(C(=O)[C-](C(=S)NCc2ccco2)[n+]2ccccc2)cc1,1,0,0,0
CCCCN(C)c1nc2c(S(=O)(=O)c3ccc(CC)cc3)nnn2c2ccc(Cl)cc12,0,0,0,0
CC(=O)Oc1ccccc1C1CC2(C)CC(=O)NC2N1C(C)=O,0,0,0,0
CCCCNC(=O)N1CCN(Cc2ccc(F)cc2)CC1,0,0,0,0
CCNc1ccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1[N+](=O)[O-],1,0,0,0
COCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,0,0,0,0
O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccc(F)cc3)no2)CC1,0,0,0,0
CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1,0,0,0,0
CCOc1cc(CNc2ccccc2)cc(Br)c1OCC(=O)NC(C)(C)C,0,0,0,0
CCN(CC)CCNC(=O)c1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
N#C[C@@H]1CC2(CCC1n1cc(C(N)=O)c(Nc3ccnc(F)c3)n1)CC2,0,0,0,0
CCC(C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1,0,0,0,0
COc1cc(-c2csc(CCn3nc(C)cc3C)n2)cc(OC)c1OC,0,0,0,0
Cc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1,0,0,0,0
Cn1cc(S(=O)(=O)NCc2cccc(C(Cc3ccccc3)CN3CCOCC3)c2)cn1,0,0,0,0
Cn1cc(CN2CCCC(C(=O)c3cccs3)C2)c(-c2cccc(Cl)c2)n1,1,0,0,0
COc1cc(N(CC2CC2)c2ccc(Cl)cc2)cnc1C(=O)C1CC1C(=O)O,0,0,0,0
Cn1c2cc([S+]([O-])CCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0,0,0,0
CN(C)c1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1,0,0,0,0
O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl,1,0,0,0
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OCC2,0,0,0,0
O=C(O)CSc1cc(C(=O)c2cc(F)ccc2O)cn2c(=O)c3c(-c4ccccc4)csc3nc12,0,1,0,0
COCC1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1,0,0,0,0
C[C@H](Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1)c1ccccc1,0,0,0,0
CCCCCCCNC(=O)Oc1cccc(CN(CCCOc2ccc3c(=O)c4ccccc4oc3c2)C(C)C)c1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(n2cc(-c3cnc4ccn(S(=O)(=O)c5c(Cl)nc6sccn56)c4c3)cn2)CC1,0,0,0,0
COc1ccc(-c2cccc(F)c2)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncccn3)ccc21,0,0,0,0
O=C1CSC(=S)N1N=Cc1cc(Br)ccc1O,0,0,0,0
NCCSC(c1ccccc1)(c1ccccc1)c1ccncc1,0,0,0,0
Cc1[nH]c(N2CCN(c3ccccc3F)CC2)nc(=O)c1C,0,0,0,0
Cn1cnc(C(=O)N(Cc2cccc(OC(F)(F)F)c2)C2C[C@@H]3CN(CC(O)c4ccccc4)C[C@@H]3C2)c1,0,0,0,0
CCOC(=O)N1C[C@H](CC(=O)O)[C@@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C1,0,0,0,0
CC(C)c1ccccc1-n1c(SCC(=O)N2CCc3ccccc3C2)nc2ccccc2c1=O,1,0,0,0
CCC(CC)C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1,0,0,0,0
CN1/C(=C/C=C2/C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc21,1,0,0,0
Cc1c(C(=O)N2CCN(C)CC2)oc2ccc(Br)cc12,1,0,0,0
Cc1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1,0,0,0,0
Cc1c(C(=O)OC(C)C)sc2nc[nH]c(=O)c12,0,0,0,0
C=CCNc1ncnc2ccccc12,0,0,0,0
Cc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)CC2c2cccs2)cc1,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(OCc2ccc(Cl)cc2)cc1,1,0,0,0
COc1ccc(-n2cnc3cc(NC(=O)c4ccco4)ccc32)cc1,0,1,0,0
O=c1cc(-c2cccc(F)c2)[nH]c2cc(Cl)ccc12,0,0,0,0
O=[N+]([O-])c1cc2c(cc1CN1CCN(CCOCCO)CC1)OCO2,0,0,0,0
O=C(COC(=O)C=Cc1ccc(Br)o1)Nc1ccc2[nH]c(=O)[nH]c2c1,1,0,0,1
CC1c2ccccc2-c2ccc(C(=O)NC(=N)N)cc21,0,0,0,0
CCOC(=O)c1c(C)oc2nc(C)nc(NCCc3ccc(C)cc3)c12,0,0,0,0
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0
NC1CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1,0,0,0,0
CC(=O)Oc1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(OC(C)=O)c1OC(C)=O,0,0,0,1
CC(c1ccccc1)N1CCN(C(=O)CCl)CC1,0,0,0,0
Cc1cccc2cc(C(c3nnnn3Cc3ccccc3)N3CCN(C)CC3)c(=O)[nH]c12,0,0,0,0
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(Cl)c(Cl)c2)o1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)CF)C[C@@H]1F,0,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3-c3cnc(N)nc3)cc2F)cn1,0,0,0,0
CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(Cl)cc1)C(=O)NCCOC,0,0,0,0
Cn1nc(S(N)(=O)=O)sc1=NC(=O)C(F)(F)F,0,0,0,1
COc1ccc(C2=C3C(=O)OCC3Cc3ncn(Cc4ccccc4)c32)cc1,0,0,0,0
CCOc1ccc(-n2c(-c3ccc(Cl)cc3)c[n+]3c2SCC3)cc1,0,0,0,0
CCOc1ccc(CC2CC(=O)NC2=O)cc1,0,0,0,0
C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)C(=CC[C@@H]3O)[C@@H]21,0,0,0,0
COC1C[C@H]2CC[C@@H](C1)N2c1nc(-c2c(C)ccc3n[nH]c(C)c23)nc2c1CN(c1c(F)c(C3CC3)nn1C)CC2,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1cccc(Br)c1,0,0,0,0
O=C(O)Cc1ccc(Nc2nc(-c3cc4ccccc4s3)nc3c2S(=O)(=O)CCC3)cc1,0,0,0,0
COc1ccc([N+](=O)[O-])cc1NCc1ccccc1,0,0,0,0
Cc1cc(Br)cc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(Oc2ccc(C(C)(C)C)cc2)cc1,0,0,0,0
Cc1cc(N2CCCCC2)nc(NCc2ccccc2)n1,0,0,0,0
Cc1cc(N=S2(=O)CC3(COC3)C2)cc2ncnc(Nc3ccc(Cl)cc3O[C@@H](C)C(=O)N[C@H](C)C(F)(F)F)c12,0,0,0,0
CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1,0,0,0,0
Cc1ccc(NC(Cc2cc(C)no2)c2ccccc2)cc1,0,0,0,0
Brc1c(C[n+]2ccccc2)nc2ccccn12,0,0,0,0
C=CC(=O)N1CC2(CC(n3nc(C(C)C)c(-c4c(C)ccc5[nH]ncc45)c3C)C2)C1,0,0,1,0
CCCc1nc(C)c2c(N(C)C(=O)OC)nc3ccc(OC)nc3n12,0,0,0,0
O=c1[nH]c2ncccc2n2c(=O)n(-c3ccc(F)cc3)nc12,0,0,0,0
CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccc(F)cc3)C(c3cccs3)C2)c1,0,0,0,0
CCC(Sc1nc2ccc(N)cc2s1)C(=O)Nc1nccs1,1,0,0,0
Cc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc4c(c3c2)CCCC4)cc1[N+](=O)[O-],1,0,0,0
N#CCNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1,0,0,1,0
CCCCCCc1c(C)c2ccc(OCC(=O)N3CCC[C@H]3C(=O)O)c(C)c2oc1=O,0,1,0,0
CCC(Sc1nc2ncnc(N)c2[nH]1)C(=O)O,0,0,0,0
CC(C)(C)C(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1,0,0,0,0
CN(C)c1nc(-c2cccc(C#N)c2)nc2ccccc12,1,0,0,0
Cc1ccc(OC(=S)Nc2ccc(F)cc2)cc1,0,0,0,0
CSCCCNC(=S)Nc1ccc(N2CCOCC2)cc1,0,0,1,0
CCN1C(=O)C(=CNC2CCCC(C)C2C)SC1=S,0,0,0,0
CS(=O)(=O)Nc1cc(C(O)CNC(Cc2ccccc2)c2ccc3sccc3c2)ccc1O,0,0,0,0
Cc1cc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)cc(C(F)(F)F)c1,0,0,0,0
Cc1ccc(CCNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1,0,0,0,0
NS(=O)(=O)c1nc(S(=O)(=O)O)c2[nH]cnc2n1,0,0,0,0
Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1,1,0,0,0
O=C1c2ccc(-n3cnc4ccccc43)cc2CCN1CCN1CCCC1,0,0,0,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccn5cncc5c4)CC3)ccc2C2CCC2)c(C)[nH]1,0,0,0,0
CCOC(=O)C1=c2/c(=C/c3ccccc3OC)c(N)c(C#N)n2C(=O)C(c2ccccc2OC)S1,1,0,0,0
CCOC(=O)N1CCN(C(=O)c2oc3ccc(S(=O)(=O)N(CC)CC)cc3c2C)CC1,1,0,0,0
C=CCNC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0,0,0,0
COCCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
Cc1ccc2c(=O)c(Cc3ccccc3Cl)c[nH]c2n1,0,0,0,0
COc1ccc(-c2cnc(C(=O)N3CCN(c4cc5ccccc5cn4)CC3)nc2-c2ccc(C)cc2)cc1,0,0,0,0
COc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21,0,0,0,0
Cc1ccc(Nc2c(-c3ccncc3)nc3ccc(C)cn23)cc1,0,0,0,0
O=S(=O)(Nc1nc2n(n1)C(c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccccc1,0,0,0,0
Oc1ccc(C2C(c3ccccc3)=NN=C(c3ccc(Cl)cc3)N2O)c(O)c1,1,0,0,0
CC(C)c1cnc2c(c1SCC(=O)O)c(=O)n(C)c(=O)n2C,0,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(Nc3ncccn3)ccc2o1,0,0,0,0
COc1cccc(-n2nc(C(C)=O)c(C#N)c2-c2ccco2)c1,0,0,0,0
CCCNC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(CC#N)CC1F,0,0,0,0
Cc1cc(SCc2ccc(Cl)cc2Cl)nc(=O)[nH]1,0,0,0,0
N#Cc1c(NC(=O)CSc2n[nH]c(Cc3ccccc3)n2)oc(-c2ccccc2)c1-c1ccccc1,1,0,0,0
COc1ccccc1CCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1ccc(F)cc1C,1,0,0,0
C[C@@H](OC1CCC2CCC1(c1ccccc1)N2)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1)C(F)(F)F,0,0,0,0
Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F,0,0,0,0
CCN(CC)CCNC(=O)CCc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)coc2c1,1,0,0,0
O=c1[nH]ccc2c(Nc3c(Cl)cc(F)cc3Cl)nc3ccncc3c12,0,0,0,0
C[C@H](CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC3CC3)sc12,0,0,0,0
CC(C)CNc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
COCCN1C(=O)NC(c2cccc(C(F)(F)F)c2)C(C(C)=O)=C1C,0,0,0,0
CC(C)Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1CCC2,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O,0,0,0,0
CCCN1CCN(CC2=C(C(=O)OCC)C(c3cccc(OC)c3OC)NC(=O)N2)CC1,0,0,0,0
Cc1ccc(C(c2nnnn2C(C)(C)C)N(Cc2ccco2)Cc2cccs2)cc1,0,0,0,0
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(Br)cc1,0,0,0,0
COCCn1c(-c2cc(C)cc(C)c2)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21,0,0,0,0
CC(C)(C)Sc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
C[C@@H]1CN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)C[C@H](C)N1,0,0,1,0
Cc1nc2cccnc2n2c(-c3cc(OC4CCC(F)(F)CC4)ccc3Cl)nnc12,0,0,0,0
O=C1NCCCc2cc(-c3ccnc(NC(=O)C4CC4)c3)ccc21,0,0,0,0
CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2ccccc2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1,1,0,0,0
CCC(=O)N1CCN=C1SCc1ccc(F)cc1,0,0,0,0
N=C(N)c1ccc(O)c(Oc2cc(C(=O)O)cc(Oc3cccc(C4=NCCN4)c3)n2)c1,0,0,0,0
COc1ccc2oc(=O)c(-c3ccc(CN(C)Cc4ccccc4)cc3)cc2c1,0,0,0,0
Fc1ccc2[nH]c(-c3ccccc3)nc2c1CN1CCCC1,0,0,0,0
CCc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2sccc23)cc1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(Cl)cc(Cl)c3)c(F)c2)CC1,0,0,0,0
CC(C)Oc1cccc(C(=O)N2CCCC2)c1,0,0,0,0
CCCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O,0,0,0,0
Clc1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1Cl,1,1,0,0
COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)CCN2,0,0,0,0
COc1ccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)cc1,1,0,0,0
CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CCOCC1,1,0,0,0
Cc1c(-c2ccc(C(F)(F)F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
O=c1nc[nH]c(O)c1C(c1cccc([N+](=O)[O-])c1)c1c(O)[nH]cnc1=O,0,0,0,0
Cc1ncn(CC(=O)OC(C)(C)C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
COc1ccc(Cc2nnc(NS(=O)(=O)Cc3ccccc3)s2)cc1,0,0,0,0
Cc1sc2nc3ccc(N4CCCCC4)nn3c(=O)c2c1C,0,1,0,0
COc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,1,0,0,0
O=S(=O)(NCC1CCC(CNCC2CCc3ccccc3C2)CC1)c1cccc2ccccc12,0,0,0,0
COC(=O)c1ccc2c(c1)nc(NC1CC1)c1nc(SC)ncc12,0,0,0,0
Cn1c(=O)c2c(nc(CN3CCCCC3)n2Cc2c(F)cccc2Cl)n(C)c1=O,0,0,0,0
Brc1c(-c2ccccc2)nc2n1Cc1ccccc1-2,0,1,0,0
Cc1ccncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C,0,0,0,0
Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)c3cccc[n+]3[O-])CC2)c(=O)n(-c2ccc(F)cc2)n1C,0,0,0,0
O=c1cc2c(n[nH]1)-c1ccccc1CC2,0,0,0,0
O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cccc2nccnc12,0,0,1,0
COCCOc1ccc2[nH]nc(-c3cc(N4CCN(C)C(=O)C4)ncn3)c2c1,0,0,0,0
CCCCc1ncc(CN2CCC(CC3CCCCO3)(C(=O)OCC)CC2)[nH]1,0,0,0,0
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)CC1,1,0,0,0
CC1=CC(=O)N(Nc2nc(-c3ccc(N)cc3)nc3scc(-c4ccccc4)c23)C1=O,0,0,0,0
CC(C)CC(=O)N1CCc2nc(-c3cncc(-c4cncnc4)c3)nc(N(C)Cc3ccccc3)c2C1,0,0,0,0
Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2C)c1,0,0,0,0
Cc1cc(-c2nc3ccc(OC4CCN(C)CC4)nc3n2C(C)c2ccccn2)cn(C)c1=O,0,0,0,0
O=C1C2CSCN2C(=O)CN1CCc1cccc(F)c1,0,0,0,0
COc1cc(C=C2C(=O)ON=C2C)ccc1OCc1cccc(F)c1,0,0,0,0
O=C(O)CCn1c(-c2ccccc2)cc2ccccc21,0,0,0,0
COCCOc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
OCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,0,0,0,0
CC(C)(C)NS(=O)(=O)C[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1,0,0,0,0
Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(O)CC3)cc2F)cn1,0,0,0,0
CCCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,0,0,0,0
CC(=O)Nc1ccc([C@H]2[C@H](C)CC[C@H]3C(=O)N4[C@@H](CC[C@@H](C)[C@@H]4c4ccc(NC(C)=O)cc4)C(=O)N32)cc1,0,0,0,0
COc1ccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)cc1,0,0,0,0
Cc1ccc(C(=O)C=Cc2cn(CC(O)CN3CCCCCC3)c3ccccc23)cc1,1,0,0,0
CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,0,1,0,0
CSc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1,0,0,0,0
CC(C)CN(CC(C)C)C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1c(Cl)cccc1Cl)C(F)(F)F,0,0,0,0
Cc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1,0,0,0,0
Cc1ccc(/C(N)=N/OC(=O)Cc2cccs2)cc1,0,1,0,0
N#CCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
COC1=C2C[C@@H](C)C[C@H](OC)[C@H](OC)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,0,0,0,0
COc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)n1,0,0,0,0
Cc1cccc2c1NC(=O)NC21CCCCC1,0,0,0,0
CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@@H](C)CC)[C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
CCN(C)[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)COC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCOc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1,0,0,0,0
CCCCCCCCCCCC(=O)N[C@H](CCC(=O)NC(CCCC1N=C(N)NC1=O)C(=O)O)C(=O)O,0,0,0,0
Oc1ccc(/C=N/NC(=S)N2CCOCC2)cc1,0,1,0,0
CC(=O)Cn1c(CN2CCCCC2)nc2ccccc2c1=O,0,0,0,0
NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OC[C@@H]1CCCN1,0,0,0,0
CC[N+](C)(CCCCCCOCCCCCCCCOCCCCCC[N+](C)(CC)Cc1ccccc1OC)Cc1ccccc1OC,0,0,0,0
COC1CCC2(CC1)Cc1ccc(-c3cccc(C#N)c3)cc1C21CC(=O)N(C)C(N)=N1,0,0,0,0
Cc1cc(OCCCCCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O,0,0,0,0
O=C1C(=O)N(CCc2ccccc2)c2ccccc21,0,0,0,0
CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)nc(C(F)(F)F)nc3C)CC1)CC2,0,0,0,0
O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cc2ccncc2)cc1,0,0,0,0
O=C1N=c2ccc(C(=O)N3CCCC4c5ccccc5CC[C@@H]43)cc2=N1,0,0,0,0
NC(=O)CCC1NC(=O)C(Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc(F)c2OCCC(C(N)=O)NC1=O,1,0,0,0
C[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N([C@@H](CO)C2CC2)C1=O,0,0,0,0
COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCN(c2ncccn2)CC1,1,0,0,0
CCc1ccc(-c2cn3nc(CC)sc3n2)cc1,0,1,0,0
O=C1CN(C(=O)COC(=O)C=Cc2ccc(OC(F)F)cc2)c2ccccc2N1,1,0,0,0
CSC(=Nc1ccc(Br)cc1F)NS(=O)(=O)c1cccs1,0,0,0,0
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(C(=O)O)cc23)c1,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(C(=O)c2ccc(C(C)=O)cc2)[C@H]1C,0,0,0,0
COc1cc(F)ccc1Nc1nccc(Oc2cccc3c2C(=O)CC3)n1,0,0,0,0
CCN1CCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1,0,0,0,0
CC(C)Nc1cc(-n2ncc3cnc(NC[C@H](F)C(C)(C)O)nc32)ncc1C(=O)NC[C@H](F)C(C)(C)O,0,0,0,0
CNc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
COC(=O)[C@@H]1CCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,0,0,0,0
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Cl)cc1,0,0,0,0
COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCO)cc1,0,1,0,0
COc1ccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1O,1,1,0,0
[O-]/[N+](=C\c1cccc(Br)c1)c1ccccc1,0,1,0,0
COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c(OC)cc1Cl,1,0,0,0
Brc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1,0,0,0,0
CC(=O)N1CCc2cc(S(=O)(=O)N3CC(C)CC(C)C3)ccc21,0,0,0,0
COc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1,0,0,0,0
CCn1cc(CNC(=O)CC2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cn1,1,0,0,0
COc1cc(-c2cnn(C)c2)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1,0,0,0,0
Cc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,0,0,0,0
Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1C,0,0,0,0
O=S(=O)(c1ccc(F)cc1)N1CCC(CCc2ccc(F)cc2F)CC1,0,0,0,0
CCOc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1OC,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(F)cc4F)cc(C)c3CC[C@@H]12,0,0,1,0
CSc1ccc(/C=N\NC(=O)COc2ccc(Cl)cc2Br)cc1,1,0,0,0
CC(=O)N(Cc1ccccc1)Cc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
CC(=O)c1cc2ccc(-c3ccccc3)cc2oc1=O,0,0,0,0
CCOC(=O)C12C(=O)C(=O)NC1(c1ccccc1)C1OCCCC12,0,0,0,0
COc1ccc(OC)c(C(O)c2coc3ccc(O)c(CN4CCOCC4)c23)c1,1,0,0,0
C=CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O,0,0,0,0
NCCCNc1nc(-c2cccs2)cc2ncccc12,0,0,0,0
O=C(OC1CSSC1)c1ccc(C#CCCCCOC(=O)c2cc(Br)ccc2Br)cc1,0,0,0,0
Nc1nc2c(s1)-c1nc(Nc3cccc([N+](=O)[O-])c3)ncc1CC2,0,0,0,1
C[C@H](Nc1ncnc(N)c1C#N)c1nn2ccc(Cc3cccc(O)c3)c2c(=O)n1-c1ccccc1,0,0,0,0
CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1Cl,0,0,0,0
COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1,1,0,0,0
O=C1NN=C(c2ccc3nc(-c4cccc(F)c4)oc3c2)C2CC12,0,0,0,0
CCNC(=S)N1CCN=C1Nc1nc(C)cc(C)n1,0,0,0,0
CN(C)S(=O)(=O)N1CCC[C@H]1COc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O,0,0,0,0
CN(C)CCOc1cncc(N2CCN(C)CC2)c1,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(O)c(F)c4)cc32)cc1C,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(N(C)C)cc1,0,0,0,0
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccc(OC(F)F)c1,0,0,0,0
NC(=O)c1c(NC(=O)C=CC(=O)O)sc2c1CCCC2,0,0,1,0
CC[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1,0,0,0,0
Cc1cccc2nc3c(nc12)CCCC3,0,0,0,0
CC(CC(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1)C(F)(F)F,0,0,0,0
CNc1nc(C)c(-c2nc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)ncc2F)s1,0,0,0,1
Cc1cccc(C)c1S(=O)(=O)c1ccccc1Cc1c(-c2ccccc2)nn(CC(=O)O)c1C,0,0,0,0
S=C(NC1CC1)N1CCN(C(=S)NC2CC2)CC1,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)Cc1cn2ccsc2n1,1,0,0,0
O=C(c1cccc(Br)c1)N1CCN(C(=O)c2cccc(Br)c2)CC1,0,0,0,0
CN1CCN(CC(O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,1,0,0,0
Cc1cc(C)n(-c2nnc(C)c(=O)[nH]2)n1,0,0,0,0
Cc1cc(N(C)C)c(C#N)c(N2CCCCC2)n1,0,0,0,0
CC(C)(C)OC(=O)NCc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3cccnc3c2)cc1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccccc1OCC,0,0,0,0
COc1ccc(CNc2ccc3c[nH]nc3c2)c(OC)c1OC,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(F)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
CCN(CC)Cc1cccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)c1,0,0,0,0
CCS(=O)(=O)NCc1csc(C)n1,0,0,0,0
CC(C)(C)CNc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
O=S(=O)(c1ccc(F)cc1)n1cnc2ccccc21,0,0,0,0
Cc1nocc1-c1nc2ccccc2n1-c1ccc(O)cc1,0,0,0,0
Cn1c(=O)c(-c2ccccc2)nc2cncnc21,0,0,0,0
COCC(=O)N1CCCC2(CCN(c3ccccn3)C2)C1,0,0,0,0
CC(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1,1,0,0,0
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)C2c2ccc(C(=O)OC)cc2)cc1,1,0,0,0
CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccc(OC)cc3)cc2)no1,1,0,0,0
COc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1,0,0,0,0
COC(=O)c1c(NC(=O)CCC(=O)O)sc(Cc2ccccc2)c1C,0,0,0,0
Nc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
N#Cc1c(/N=C/c2ccc(Br)s2)sc2c1CCC2,0,1,0,0
CCCCC(=O)Nc1ccccc1N1CCOCC1,0,0,0,0
Cc1nc(N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c2c(-c3ccccc3)csc2n1,0,0,0,0
Cc1c(Cc2cc(C#N)ccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N(C)CC4CCOC4)c3F)C2)cc1,0,0,0,0
Cc1sc(NC(=O)c2cc3ccccc3oc2=O)c(C(=O)OC(C)C)c1-c1ccccc1,1,0,0,0
Cc1ccc2oc(-c3cn4nc(C)sc4n3)nc2c1,0,0,0,0
Cc1cc2nc(-c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)oc2cc1C,0,0,1,0
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5cccc(C)c5C)CC4)cc32)cc1,1,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)(F)F)cc2Cl)cc1,0,0,0,0
Cc1ccc2c(c1)nnn2C1CCN(CC(=O)Nc2ccccc2N2CCOCC2)CC1,1,0,0,0
CCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,0,0,0,0
COc1ccc2c(c1)N(C)C(=O)CC(c1ccccc1)=N2,1,0,0,0
CCCCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,0,0,0,0
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1,0,0,0,0
COC(=O)C1=C(C)NC(=O)NC1c1ccccc1Cl,0,0,0,0
O=C1C(C=NCc2cccnc2)=C(O)c2ccccc21,0,1,0,0
CC1=CC(=O)C2C(C)(C)CC(O)CC2(C)C1CO,0,0,1,0
O=C1OC(=O)c2cc(NS(=O)(=O)c3cccc4cccnc34)cc3cccc1c23,0,0,0,0
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)C2c2cccc(Br)c2)cc1,1,0,0,0
CCN(CC)CC(=O)NCc1cc(-c2ccc(OC)cc2)no1,0,0,0,0
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCCNCC1,0,0,0,0
COc1ccc(S(=O)(=O)N2c3ccccc3CC2(C)C)cc1N1CCNCC1,0,0,0,0
CS(=O)(=O)N1CCC2(CCN(c3ccccn3)CC2)CC1,0,0,0,0
Cc1cc(-c2c(-c3ccc(C(C)C)cc3)c3cc(Cl)ccc3[nH]c2=O)on1,0,0,0,0
CN(C)CCOc1ccc([C@H]2C[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]3CCc4cc(O)ccc4[C@H]32)cc1,0,0,0,0
CCN(CC)c1ccc(C=C2C(=O)N(c3nc(=O)c(C)n[nH]3)N=C2C)cc1,1,0,0,0
COc1ccc(C2=NN3C(=O)c4c(ccc(OC)c4OC)C3C2)cc1,0,1,0,0
CC1(C)Cc2nc(N3CCOc4ccc(-c5ccc(N)nn5)cc43)sc2C(=O)N1,0,0,0,0
O=[N+]([O-])c1nn(-c2ccccc2)n(O)c1=NCc1ccc2c(c1)OCO2,0,0,0,0
O=S(=O)(c1ccc(N=C2NN=C(c3cc(F)ccc3F)CS2)cc1)N1CCOCC1,0,0,0,0
Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)sc2n1,0,1,0,0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(C4(CN)CC4)cc3)nnc2c1,0,0,0,0
CCCCN1C(=O)C(O)(CC(=O)c2c(C)n[nH]c2C)c2cc(Br)ccc21,1,0,0,0
O[C@@H](CNCC(Cc1ccccn1)(c1cccc(OC(F)(F)F)c1)c1cccc(OC(F)(F)F)c1)C(F)(F)F,0,0,0,0
O=S1(=O)c2ccccc2N(Cc2cccc(F)c2)c2ccccc21,0,0,0,0
C=CC(=O)Nc1ccccc1Nc1ccc2c(Cc3cc(OC)cc(OC)c3)c[nH]c2n1,0,0,1,0
Cc1ccccc1-c1cnc(N(C)CC(C)C)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O,0,0,0,0
COc1ccc(/C=N/NC(=S)Nc2cccc(C(=O)O)c2)cc1,0,1,0,0
CN1C(=O)C2(N=C1N)c1cc(Br)ccc1CC21CCc2ccccc2CC1,0,0,0,0
COC(=O)CN1C(=O)C2(CCN(Cc3ccc4ccccc4c3)CC2)c2ccccc21,0,0,0,0
O=C(c1cccc(F)c1)N1CCC2(CC1)CN(c1ncccn1)C2,1,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N[C@H]1CCN(S(C)(=O)=O)C1,0,0,0,0
COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1OC,1,0,0,0
CCCC/C(C)=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
CCC12C(=O)N(c3ccccc3)C(=O)N1C(c1cccc(C)c1)C1C(=O)N(Cc3ccccc3)C(=O)C12,1,0,0,0
COc1ccc(N2CCN(C(=O)c3ccc(N4CCCCS4(=O)=O)cc3)CC2)cc1,0,0,0,0
N#CC1(c2c(O)n3c(nc2=O)SCCC3)CCCCC1,0,0,0,0
C[C@H](NC(=O)N(C)C)c1ccc(OC2CCN(c3ccc(OC4CC4)cc3)C2)cc1,0,0,0,0
Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(C)c(C)c4)c3C3CCNCC3)CC2)c(C)c1,0,0,0,0
O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CCC4(CCCO4)C3)cc2)C1,0,0,0,0
O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(Cl)cc1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncc(F)cn2)CC1,0,0,0,0
Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1cccc(Br)c1,0,0,1,0
CC[C@H](C)[C@H](N)C(=O)N1C[S+]([O-])C[C@H]1C#N,0,0,0,0
Cn1cnc(Nc2cc(S(=O)(=O)c3ccccc3)cc(NC3CCC(O)CC3)n2)c1,0,0,0,0
CC(C)(C)S(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1,0,0,0,0
Cc1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1,0,0,0,0
O=S(=O)(N/N=C\C=C\c1ccccc1)c1ccc(Br)cc1,0,0,0,0
N#Cc1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1,0,0,0,1
CC(NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)c1ccccc1,1,0,0,0
Fc1ccc2nc3c(nc2c1)CCCC3,0,0,0,0
Cc1ccc(C(=O)C2CN3CCC2CC3)cc1,0,0,0,0
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1OC,0,0,0,0
COc1cc(-c2nnc3n2CCCCC3)cc(OC)c1OC,0,0,0,0
Cc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1,1,0,0,0
Cc1c(CN(CCc2ccc(Cl)cc2)C2CCN(C(=O)c3c(F)cccc3F)CC2)c(=O)n(-c2ccccn2)n1C,0,0,0,0
CCOCCCNC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1,0,0,0,0
N#Cc1nc(-c2ccco2)oc1N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
Cc1cccc(NC(=S)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1,1,0,0,0
O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,0,0,0,0
Nc1cc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1,0,0,0,0
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O,0,0,0,0
O=C1[C@@H](NS(=O)(=O)c2cc3ccc(Cl)cc3s2)CCN1Cc1cc2ccncc2[nH]1,0,0,0,0
CCOC(=O)c1sc(NC(=O)COC(=O)C(CCSC)NC(C)=O)nc1C,0,0,0,0
CNc1nc(Nc2cc3c(cc2Cl)C(=O)N(C)C3)ncc1Cl,0,0,0,0
Cc1ccc(S/C=C\C(=O)c2ccccc2)cc1,0,1,0,0
O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(OC(F)(F)F)cc2)cc1,0,0,0,0
CCCSC1C(C)=C(C)C(=O)N1Cc1ccccc1,0,0,0,0
COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CC[S+]([O-])CC1,0,0,1,0
C[C@@H]1CN(c2ncc(-c3cccc(CN(C)C(=O)CN)c3)cn2)C[C@H](C)O1,0,0,0,0
NNC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1,0,0,0,0
CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCN(CCO)CC1,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc[nH]c1C,0,0,0,0
CCn1c(NC2CCCC2)nc2c(-c3ccccc3C(=O)OC)csc2c1=O,0,0,0,0
CCn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1,0,1,0,0
Cc1ccc(S(=O)(=O)N2C(c3ccc4c(c3)OCO4)CC=C(C(=O)O)C2c2ccccc2F)cc1,0,0,0,0
COc1ccc(/C=C/C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc1OC,0,1,0,0
O=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)cc1,0,0,0,0
O=C1C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21,0,0,0,0
CC(=O)[C@@H]1CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(=O)O)NC1=O,0,0,0,0
COc1ccc(C)cc1NC(=O)CN1CCN(c2ccc(F)cc2)CC1,1,0,0,0
COc1ccc(Cn2c(/N=C3/CCCN3C)nc3c2c(=O)n(CC2CC2)c(=O)n3CC2CC2)cc1,0,0,0,0
C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C#N)CC3)CC2)cc1)C(F)(F)F,0,0,0,0
C/C(CC1(O)C(=O)N(C)c2ccccc21)=N\O,0,0,0,0
CC(C)(O)CC1(c2ccccc2)CCN(C(=O)OC2C3CC4CC2CC(C(N)=O)(C4)C3)C1,0,0,0,0
CCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(F)cc3)s2)c(=O)n(C)c1=O,0,0,0,0
COC(=O)CCC(=O)N1CCCC(CO)(Cc2ccccc2)C1,0,1,0,0
c1cc(Nc2ncnc3sc4c(c23)CCC4)ccn1,0,0,0,0
CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12,1,0,0,0
O=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2)o1)c1ccccc1,1,0,0,0
COC(=O)CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21,0,0,0,0
CCCCN1CCN(Cc2ccccc2)[C@@H](CCO)C1,0,0,0,0
COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,0,0,0,0
COc1ccc(CNC(=O)c2cnn3c(C(F)F)cc(C)nc23)cc1OC,1,0,0,0
COC(=O)c1sccc1N/N=C/c1cccc(OC)c1O,0,1,0,0
CCOc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)N=C2C=C(SCC(=O)O)C(=O)c3ccccc32)cc1C,1,0,0,0
Cc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)[nH]2)c1,1,1,0,0
CC(C)(C)[C@@H](CO)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21,0,0,0,0
O=S(=O)(Nc1ccc(Br)cc1)c1ccc2c(c1)CNC(CF)C2,0,0,0,0
O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(C(F)(F)F)cc3)ccc21,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)c(N)nn4CCN(C)C)NC(=O)NC1=O)C2,0,0,0,0
Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21,0,0,0,1
CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nccs4)cc3)nc2n1,0,0,0,0
Cc1cccc2[nH]c3c(N4CCN(C(=O)c5ccco5)CC4)ncnc3c12,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3cccc(Cl)c3)CC1=O)C2,0,0,0,0
Cc1ccc(-c2nn3c(C)nnc3c3ccccc23)cc1S(=O)(=O)NCCN1CCOCC1,0,0,0,0
CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F,0,0,0,0
COc1ccc2cc(CNCCc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1,0,0,0,0
CC(=O)N[C@@H](CC(=O)NCCC(COCc1ccccc1)COCc1ccccc1)C(=O)N[C@@H](CC(C)C)B1O[C@@H]2C[C@@H]3C[C@@H](C3(C)C)[C@]2(C)O1,0,0,0,1
Cc1ccccc1CNC(=O)c1ccc(CSCc2ccccc2)cc1,1,0,0,0
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)c1,1,0,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCC(F)(F)C(F)(F)F)ns2)n1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cccc(C)c3)c2=O)cc1,0,0,0,0
COc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1,0,0,0,0
COc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)c(F)c1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(c5)c(C)cn6C)c4)CC3)CC2)CC1,0,0,0,0
CC(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1cccc(CS(=O)(=O)Nc2ccc3[nH]nc(-c4cccc(S(N)(=O)=O)c4)c3c2)c1,0,0,0,0
O=C(N/N=C/c1ccccn1)c1ccccc1,0,1,0,0
CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
COc1ccccc1CNc1cc(C)nc2nc(-c3ccc(C)cc3)nn12,0,1,0,0
Cc1ncc(C#Cc2c(C)ncnc2N(C)C(C)C)cc1NS(=O)(=O)c1ccc(F)cc1F,0,0,0,0
Cc1cc(-c2cnc3c(NCCC(F)(F)F)nc(C#CCO)cn23)ccc1C(=O)NCC(F)F,0,0,0,0
COc1ccc(CNn2c(-c3cccs3)nc3ccccc3c2=O)cc1OC,1,0,0,0
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NC(=O)OCCCCN3CCOCC3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,0,0,0,0
COc1ccc([C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)cc1Cl,0,0,0,0
CC(C)OC(=O)c1c(N)sc2c1CCCC2,0,0,0,0
COc1cc(CN(CCCC(=O)O)C(c2ccc3c(c2)CCO3)C2CCCC2)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
N#CC(c1ccc(Cl)cc1)c1nc2ccccc2nc1C(F)(F)F,0,0,0,0
Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1ccc([N+](=O)[O-])cc1,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,0,0,0,0
CCCc1nc(C)c2c(NC(=O)NC(C)C)nc3ccc(OC)nc3n12,0,0,0,0
Cc1cc(-c2cc(F)c3nnc([C@](C)(F)c4ccc5ncccc5c4)n3c2)sn1,0,0,0,0
COc1ccc(Nc2cc(C)nc3ncnn23)cc1Cl,0,0,0,0
N#CCOC(=O)c1sccc1-n1cccc1,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(N=O)N4CCSCC4)cc3)NC(=O)NC1=O)C2,0,0,0,0
Cc1cc2cc(CNC(=O)c3ccco3)ccc2n1C,0,0,0,1
CNCc1cc(C(=O)N2CCN(C3CCCC3)CC2)ccc1Oc1ccc(Cl)cc1,0,0,0,0
CC1CCN(c2nc(Nc3cc(C4CC4)[nH]n3)c3ccccc3n2)CC1,0,0,0,0
COc1cc(C2NC(=O)NC(C)=C2[N+](=O)[O-])cc(OC)c1OC,0,0,0,0
Cc1ccc2oc(C(=O)N3CCN(CCO)CC3)c(C)c2c1,0,0,0,0
COc1ccc(NC(=O)O/N=C/c2ccc(N(C)C)cc2)cc1,0,1,0,0
COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@H](N1CCC(c3cccc(Cl)c3F)=CC1=O)c1ccnc-2c1,0,0,0,0
COc1cc(OCc2csc(-c3ccc(C(=O)N4CCC4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CC1=CC(C)C(C=O)CC1,0,0,1,0
Oc1ccc(CNC2CCCCC2)cc1,0,0,0,0
COC(=O)c1sccc1NC(=S)Nc1ccc(OC)cc1,0,0,0,0
O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
CC12CCC(=O)CC1CCC1C2CCC2(C)C(OC(=O)CCC(=O)O)CCC12,0,0,0,0
CNc1nc(Nc2cc(F)c(N3CCCCC3=O)cc2OC)ncc1C(F)(F)F,0,0,0,0
CCC(CC)N1C(=O)[C@](C)(Cc2cc(=O)[nH]o2)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
Cc1ccsc1CNc1nc(=NC2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1,0,0,0,0
O=C(O)C1CC(=O)n2c(nc3ccccc32)S1,0,0,0,0
CCCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
O=C(c1ccc(Oc2ncccc2[C@@H]2CC[C@@H](O)C2)cc1)c1nc2ccccc2[nH]1,0,0,0,0
COc1cccc(CNc2ccc(F)c([N+](=O)[O-])c2)c1O,0,0,0,0
O=C(O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
Clc1ccc(OCC#CCN2CCCCCC2)cc1,0,0,0,1
Cc1nc(C(C)O)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1,0,0,0,0
Cc1ccc(CNc2cc(C)nc3nc(-c4ccc(C)cc4)nn23)cc1,0,0,0,0
CCCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
CCN(CC)CCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O,0,0,0,0
CCOc1ccc(-n2c(Nc3ccc(C)c(C)c3)c3[nH]cccc-3c2=O)cc1,0,0,0,0
O=C1CCN(Cc2ccccc2C(F)(F)F)CC1C(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
CC(C)Oc1cnc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)cn1,0,0,0,0
O=C(NCc1ccncc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1,1,0,0,0
COc1ccc(CN2CCN(C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)CC2)c(OC)c1OC,1,0,0,0
CCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
Cc1c(S(=O)(=O)NCCc2ccccc2)c(=O)n(C)c(=O)n1C,0,0,0,0
CCCCC(CC)Cn1c(O)c(/C=C2\C=NN=C2c2ccccc2)sc1=S,1,0,0,0
CN1[C@@H]2CC[C@H]1CC(CC(CO)(c1ccccc1)c1ccccc1)C2,0,0,0,0
O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=CC=Cc1ccccc1,1,0,0,0
COc1ccc(-n2nnnc2SCC(=O)N2CCOCC2)cc1,1,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCN(C(=O)c2ccccn2)CC1,0,0,0,0
Cc1cccc2[nH]cc(-c3ccnc(Nc4cccc(NC(=O)c5ccc(NC(=O)/C=C/CN(C)C)cc5)c4)n3)c12,0,0,1,0
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2ccccc2C(=O)O)c(O)c1)c1ccc(O)cc1,0,0,0,1
CCC(NC(=O)Cc1cccs1)c1ccccc1,1,0,0,0
O=C(CCN1CCOCC1)c1ccc(Cl)cc1,0,0,1,0
CNc1nc(-c2ccccc2CN(C)C)nc2ccccc12,0,0,0,0
CN(C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(F)(F)F)nn1-c1ccc2onc(N)c2c1,0,0,0,0
COc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,1
Cc1ccc(Sc2ncccc2C(=O)NCc2cc([N+](=O)[O-])ccc2O)c(C)c1,0,1,0,0
N#CCc1ccc(Nc2ncnc3ccc(-c4ccc5[nH]ccc5c4)cc23)cc1,0,0,0,0
[O-][S+](CC1(O)CCN(CCc2c[nH]c3ccc(F)cc23)CC1)c1ccc2ccccc2c1,0,0,0,0
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)CN2CCc3ccccc3C2)n1,1,0,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0,0,0
O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc3c(c1)CS(=O)(=O)N3)CC2,0,0,0,0
CC(C)(C)CNc1nccc2cnc(Nc3ccc(N4CCOCC4)cc3Cl)nc12,0,0,0,0
CCc1ccc(NC(=O)c2cnc3scc(C)n3c2=O)cc1,1,0,0,0
COc1ccc(S(=O)(=O)N2CCc3cc(I)ccc32)cc1N1CCNCC1,0,0,0,0
Cc1cccc(NCc2nnc(-c3ccccc3)o2)c1C,0,0,0,0
Nc1c2ccccc2nc(=S)n1N,0,0,0,0
C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N4CCN(CCF)CC4)cc3OC)n2)c1,0,0,1,0
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)CSc1nc2ccccc2o1,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,0,0,0,0
Cc1cccc(Nc2nc(NCCc3ccc(O)c(C)c3)ncc2C(N)=O)c1,0,0,0,0
NNC(=O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
COc1ccc(-c2c(C)nn3c(N4CCN(c5ccccc5F)CC4)cc(C)nc23)cc1OC,0,0,0,0
O=C(O)C1CCC(CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(Cl)c2)C2CCc3cc(Cl)ccc32)CC1,0,0,0,0
O=C(O)c1ccc(N/N=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1,0,1,0,0
Fc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12,0,0,0,0
[O]C1C(O)C(CO)OC(OC2C3COC2C(OS(=O)(=O)O)C(OC2C(O)C(CC4C5COC4C(O)[CH]O5)OC(CO)C2OS(=O)(=O)O)O3)C1O,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@@H](NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1)[C@@H](C)CC)C(N)=O,0,0,0,0
COC(=O)c1c(NC(NC(=O)C(C)C)C(Cl)(Cl)Cl)sc2c1CCCC2,0,0,0,0
COc1ccc(-c2cn(-c3ccc(C)cc3)c(=O)n2CC(=O)Nc2ccc(OC)c(OC)c2)cc1,1,0,0,0
COCCNc1nc(-c2ccccc2Cl)nc2ccccc12,0,0,0,0
CN(C)c1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0,0,0
CCCNc1ncnc2nc[nH]c12,0,0,0,0
COc1cc(OC)c(OC)cc1CN1CCN(C(=O)CC(C)C)CC1,0,0,0,0
CC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)nc31)CNCC2,0,0,0,0
CCn1cc(C(=O)NCCOC)c(=O)c2ccc(C)nc21,0,0,0,0
Fc1ccccc1Oc1nc(-c2ccncc2)nc2ccccc12,0,0,0,0
O=C(C(Cl)Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
O=C1CCCN1CCNc1cccc(-c2ccnc3[nH]c(C4CCNCC4)cc23)n1,0,0,0,0
CC(C)C(=O)Oc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC(=O)C(C)C)c(OC(=O)C(C)C)c2)cc1OC(=O)C(C)C,0,0,0,0
COc1ccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)cc1OC,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1N,0,0,0,0
COc1ccc(SCc2cc(=O)c3ccc(C)c(C)c3[nH]2)cc1,0,0,0,0
O=C(CN1CCN(C(=S)NC2CCCC2)CC1)Nc1ccc(Oc2ccccc2)cc1,1,0,0,0
Cc1ccc(C(=O)c2c[nH]c(C(=O)NCCCN3CCOCC3)c2)cc1,0,0,0,0
CC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,1,0,0,0
Cc1ccccc1-n1c(CSC(=N)N)nc2ccccc2c1=O,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)CCO)C[C@@H]1F,0,0,0,0
CC(=O)Nc1ccc(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)cc1,1,0,0,0
CC(C)(C)c1ccc2oc(N3CCCN(c4ncc(C(F)(F)F)cc4Cl)CC3)nc2c1,0,0,0,0
O=c1nc[nH]c2scc(-c3ccc(F)cc3)c12,0,0,0,0
COCCn1c(C)cc(C2=NNC(=Nc3ccc(Cl)cc3Cl)SC2)c1C,0,0,0,0
COc1ccc(CN2CCNCC2)cc1,0,0,0,0
Cc1cccc(N2C(=O)CSC23CCCCC3)c1,0,0,0,0
COc1cc2nc(CSc3nc(-c4ccc(F)cc4)cs3)[nH]c(=O)c2cc1OC,0,0,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@@H](C)COC)[nH]c(=O)c2nn1CCOC,0,0,0,0
CSc1nc2ncnc(N)c2[nH]1,0,0,0,0
CCCN1CC(=O)N2Cc3[nH]c4ccccc4c3CC2C1=O,0,0,0,0
O=[N+]([O-])c1cccc(-c2nnc3n2CCCCC3)c1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CC4)cc3F)C2)cc1,0,0,0,0
CC(C)c1ccc(S(=O)(=O)N2CCN(CCC(=O)Nc3ccc(N(C)C)cc3)CC2)cc1,1,0,0,0
COc1cccc(N2CCN(C(=O)c3cnn(-c4ccc(C)cc4C)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,1,0,0,0
COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0,0,0,0
CN(C)S(=O)(=O)n1cnc(C2c3c(ncn3Cc3ccccc3)CC3COC(=O)C32)c1,0,0,0,0
CCN(Cc1ccccc1)C(=O)CN1C(=O)NC2(CC(C)CC(C)(C)C2)C1=O,1,0,0,0
Nc1nnc(-c2ccncc2)s1,0,0,0,0
CN1OC[C@@H]2CN[C@H](c3cccc(Oc4ccccc4)c3)C[C@@H]21,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(N)(=O)=O)cc4)cc23)c1F,0,0,0,0
Oc1oc(-c2ccccc2)nc1C=Nc1nccs1,1,0,0,0
Cc1ccc(C2=NN(CC(=O)O)C(=O)CC2)cc1,0,0,0,0
COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)c1,1,0,0,0
CC(C)C(C)NC(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(F)cc3Cl)cccc2c1,0,0,0,0
COc1cccc(OC)c1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC(=O)c1ccc(OCC(=O)N(CCC2=CCCCC2)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)cc1,1,0,0,0
CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2ccc(Cl)cc2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1,1,0,0,0
CCCCCCNC(=O)Oc1cccc(CN(CCCOc2ccc3c(=O)c4ccccc4oc3c2)C(C)C)c1,0,0,0,0
COc1cccc2c(=O)cc(C)n(CC(=O)Nc3cccc(C)c3)c12,1,0,0,0
CCCS(=O)(=O)NCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1,0,0,0,0
Cc1cn2cc(C(=O)N3CCCC3C)cc2c(C#Cc2ccsc2)n1,0,0,0,0
COc1cc(CNn2nnnc2N)ccc1OCc1c(Cl)cccc1Cl,0,0,0,0
FC(F)(F)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
COc1ccc(-n2c(=O)n(O)c(=O)c3c(C)csc32)cc1,0,0,0,0
CN1C(=O)CC(C)(c2ccccc2)C1=O,0,0,0,0
Cc1ccc(C(=O)N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)s1,1,0,0,0
COc1ccccc1CCNCc1ccc(-c2ccc(C(=O)NO)s2)nc1,0,0,0,0
c1cc2c3cnc(Nc4ccc(NC5CCNCC5)cn4)nc3n(C3CCCC3)c2cn1,0,0,0,0
COc1ccc(Nc2cc(C)nc3nc(C)nn23)c(OC)c1,0,0,0,0
Cc1cc(O)c(CN(C)C)c2c1C(=O)C(=Cc1ccco1)O2,0,0,0,0
c1cn(CCCNC2=NCCCCC2)cn1,0,0,0,0
Cc1nc(NCCc2ccccc2)c(C#N)c(C)c1[N+](=O)[O-],0,0,0,0
CC1(C)CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1,0,1,0,0
O=C(O)CN1C(=O)CC(Cc2ccc(Cl)cc2)C1=O,0,0,0,0
CCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(c2nn[nH]n2)C(=O)N1,0,0,0,0
CCOc1ccc(CCNC(=O)CSCc2nc(-c3cccc(C)c3)oc2C)cc1OCC,1,0,0,0
CCCCC12Cc3cc(OC)c(OC)cc3C(O1)C1=C(CC3(CCCCC3)OC1=O)O2,0,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(F)cc3OC)CC2)c1,0,0,0,0
O=C1CC(/C=C/c2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(S(=O)(=O)N2CCCC2)cc1,1,0,0,0
CCC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1,0,1,0,0
CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)CCN(CCOC)CC3)ncc1Cl,0,0,0,0
O=C1SC(S/C(=N/c2ccccc2)Nc2ccccc2)C(=O)N1c1ccccc1,1,0,0,0
COc1cc(NC(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc(OC)c1OC,1,0,0,0
CNc1cc(C)nc(-n2nc(C)cc2C)n1,0,0,0,0
NNc1nnc(Cc2ccncc2)c2ccccc12,0,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(Cc3cccc(Br)c3)CCc3ccccc32)cc1,0,0,0,0
CCC(Sc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1)C(=O)N(CC)CC,1,0,0,0
CC(C=CC1(O)C(C)(C)CC(O)CC1(C)O)OC1OC(CO)C(O)C(O)C1O,0,0,1,0
CNc1cccc2c(S(=O)(=O)Nc3ncc(Br)nc3OC)cccc12,0,0,0,0
CN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1,0,0,0,0
CCOCCCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1,0,0,0,0
COc1cc(C#N)ccc1C1CCCc2cncn21,0,0,0,0
CCC1(C(=O)c2ccccc2)C2c3ccccc3OC(=O)C21C(C)=O,0,0,0,0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccccn4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0,0,0,0
Cc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,0,0,0,0
CC(C)(C)C1CCc2c(C(=O)NNC(=O)CCCC(=O)O)csc2C1,1,1,0,0
COc1cc(CNC(C)(C)C)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
Cn1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1,0,0,0,0
OC1(c2ccccc2F)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C(N)=O)cnc32)cc1NCC1CNC1,0,0,0,0
CN(C)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCCC2)cc1F,0,0,0,0
O=C1/C(=C/c2cccnc2)SC(=S)N1NS(=O)(=O)c1ccccc1,0,0,1,0
CNc1nc2[nH]c(-c3cccc(CNC(=O)CCC(N)=O)c3)cc2c2c1ncn2C,0,0,0,0
CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(OCCN3CCOCC3)n2)on1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccsc2COc2ccc3c(c2)OCO3)c1Br,0,0,0,0
CC(C)CN(c1ccc(Br)cc1)S(=O)(=O)c1cc(C(=O)O)c(O)c2ccccc12,0,0,0,0
CCN1C(=O)N[C@H](c2ccc(Br)cc2)C(C(C)=O)=C1C,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(CO)c2oc3c(c2c1)CNCC3,0,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)cc1,1,0,0,0
N#CC1=C(c2c(-c3cc4ccccc4s3)n(CCCSC(=N)N)c3ccccc23)C(=O)NC1=O,0,0,0,1
COc1cc(COc2cc(N)c(Cl)cc2C(=O)CCC2CCN(CCNS(C)(=O)=O)CC2)cc(OC)c1,1,0,0,0
CSc1nc2n(n1)C(C)C1=C(CCCC1=O)N2,0,0,0,0
CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)s1,1,0,0,0
CC(=O)c1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,0,0,0,0
COc1ccc(-n2nc(Cn3cnnn3)c3nc(C)n(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,0,0,0,0
O=S(=O)(c1cccc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
O=C1CCc2cc(C(c3ccccc3)c3ccncc3)cc3c2N1CC3,0,0,0,0
CCC1CN2CCc3cc(OC)c(OC)cc3C2CC1CC1=NCCc2cc(O)c(OC)cc21,0,0,1,0
COc1ccc2c(c1)CCc1c(C(=O)N3CCOCC3)noc1-2,0,1,0,0
COc1cc(C)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1,0,0,0,0
CN(CCCOc1ccc(Oc2ccc(-c3nccs3)cc2)cc1)CCC(=O)O,0,0,0,0
COc1ccc2c(c1)CCc1c(C(=O)N3CCCCCC3)noc1-2,0,1,0,0
CCn1c(=O)c2cc(C(=O)N(C)c3ccc(OC)cc3OC)sc2c2ccccc21,1,0,0,0
[C-]#[N+]c1ccc(N2C(=O)C3(CCCC3)N(c3ccc(C#N)cc3)C2=S)cc1C(F)(F)F,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(-c2cc(Cl)ccc2Cl)o1,1,0,0,0
Cc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1,0,0,0,0
CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)cc1,1,0,0,0
CC(C)n1nnnc1SCC(=O)N1N=C(c2cccs2)CC1c1cccs1,0,1,0,0
O=c1cc(-c2ccccc2)[nH]c2cc(F)ccc12,0,0,0,0
CC(=O)NC(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O,0,0,0,0
Nc1ccn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4ccc(=O)[nH]c4=S)[C@H](O)[C@@H]3O)O2)c(=O)n1,0,0,0,0
CC(=O)N/N=C(/C)c1ccc(NC(=O)c2csc(C)c2C)cc1,0,1,0,0
CC(C)(O)C(C)(C)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)CCSc1ccccc1,0,0,0,0
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCc1ccccc1,0,0,0,0
COCCNC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
O=C(O)COc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1Cl,0,0,0,0
N=C(N)c1ccc(OC(=O)c2ccc(CN3CCCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)O)s2)c(F)c1,0,0,0,0
CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)N(C(C)C)C3)CC2)C[C@H]1c1ccc(Cl)cc1,0,0,0,0
O=C(C=Cc1cccc([N+](=O)[O-])c1)NCCN1C(=O)SC(=Cc2ccc(F)cc2)C1=O,1,0,0,0
CCOC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OCC)C(F)(F)F,0,0,0,0
COc1ccc2c(c1)CCC1C2=NN(/C(C)=C\C(C)=O)C1c1ccc(F)cc1,0,1,0,0
CCOC(=O)c1ccc(O)c(Nc2ncnc3cc4oc(=O)n(CCOC)c4cc23)c1,0,0,0,0
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2.Cl,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1,0,0,0,0
COc1ccccc1N/N=C(\C(C)=O)C(=S)Nc1ccccc1,0,0,0,0
CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cn[nH]c1,0,0,0,0
CCOc1ccc(Nc2c(C)c(OC3CCCNC3)nc3ccnn23)cc1,0,0,0,0
CNC(=O)c1ccc(OC)c(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
COc1cccc(CNc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1,0,0,0,0
CCC(=O)NCCn1c(-c2ccccc2)cc2ccccc21,0,0,0,0
CC(C)(C)c1ccc(Cn2c(-c3c(Cl)cccc3Cl)nc(O)c(C(=O)NCC(=O)O)c2=O)cc1,0,0,0,0
CC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,1,0,0,0
COc1ccc(Cc2nc(C(=O)O)c(O)c(=O)[nH]2)cc1Br,0,0,0,0
Cn1c(-c2nc(-c3ccccc3)cs2)nc2ccccc21,0,0,0,0
N#CC(C#N)=Cc1ccc(N2CCOCC2)cc1,0,0,0,0
COc1cc(OC)c(OC)cc1CNc1cc(C)ccc1OC,1,0,0,0
COC(=O)C1=C(C(=O)OC)C2N(C)c3ccccc3C23CC(C(=O)OC)N(C(C)=O)C3=N1,1,0,0,0
Cc1cc(C)c2c3c(sc2n1)C(=O)N(Cc1ccccc1)CC(=O)N3,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2F)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
CC(C)(C)c1ccc(C(=O)N/N=C/c2ccccn2)cc1,0,1,0,0
CCOC(=O)Cc1csc(NC(=O)c2ccc(C)cc2)n1,0,1,0,0
CCCCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12,0,0,0,0
COc1ccc(/C=N/NC(=S)Nc2ccccc2)cc1,0,1,0,0
COc1ccc(C=NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1,0,0,0,0
CCc1nnc(SCC(=O)Nc2ccc(Br)cn2)[nH]1,1,0,0,0
CCOC(=O)C1=NNC2(c3ccc(Cl)cc3)C(=O)N(c3ccc(C)cc3)C(=O)C12,0,0,0,0
O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc(CCCCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,0,0,0,0
CC#CC(=O)N1CCC[C@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,0,0,0,0
Cc1ccc(-c2cc(-c3ccc(C)cc3)[n+](C)o2)cc1,0,0,0,0
Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(CS(C)(=O)=O)cc2)c1,1,0,0,0
O=[N+]([O-])c1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)(F)F)c1,0,0,0,0
CCOC(=O)c1ccc(NC(=S)N(CCCN2CCCCC2)Cc2ccco2)cc1,0,0,0,0
CCC(=O)Nc1cc2c(Nc3ccc(C(O)c4ccccc4)cc3)ncnc2cc1OC,0,0,0,0
CC(C)NS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
CCOC(=O)C1C(=O)OC2(CCCC2)C1C(=O)OCC,0,0,0,0
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)cc1,1,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C(=O)O)c2OC(F)F)c1,0,0,0,0
Cc1cc(C)nc(NC(=NCCc2c[nH]c3ccccc23)NC(=O)c2ccco2)n1,1,0,0,0
CC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
COc1cc(Cl)c(C)cc1Nc1c([N+](=O)[O-])nn(-c2cccc(C)c2)[n+]1[O-],1,0,0,0
CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)[C@@H]3N,0,0,0,1
Cc1ccc2ccn(-c3ccc(=O)n(Cc4cccc(NC(=O)OCCCCN(C)C)c4)n3)c2c1,0,0,0,0
CCOC(=O)CN(Cc1cccc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
CSc1nc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)c2cc[nH]c2n1,0,0,0,0
COc1ccc(Nc2nc(SCc3cc(C)on3)n[nH]2)cc1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1ccc([N+](=O)[O-])s1,0,0,0,1
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc4)nc23)cc1,0,0,0,0
Clc1cccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)c1,0,0,0,0
N#CC1=C(c2c(-c3cc4ccccc4s3)n(CCCN=C(N)N)c3ccccc23)C(=O)NC1=O,0,0,0,1
CC(O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
Cc1ncnc(C)c1C(=O)N1C[C@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@H]2C1,0,0,0,0
O=C1NC(=O)C(=Cc2cn(Cc3ccccc3F)c3ccccc23)N1,0,0,0,0
COC(=O)c1sc2ncn(N)c(=O)c2c1C,0,0,0,0
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCNC1=O,0,0,0,0
O=C(O)CSc1cc(C(=O)c2ccccc2O)cn2c(=O)c3c(-c4ccccc4)csc3nc12,0,1,0,0
CC(c1cccc(C(=N)N)c1)C1CC(=O)N(c2ccc(-c3ccccc3S(N)(=O)=O)cc2)C1=O,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(C)c3)c(F)c2)CC1,0,0,0,0
CCOc1ccccc1NC(=O)N1CCc2c(sc(C)c2CC)C1c1ccccc1,1,0,0,0
O=[N+]([O-])c1ccc(N2CCCCCC2)c2ncccc12,0,0,0,0
Cc1[nH]nc2cccc(Nc3ccnc(Nc4cc(N5CCOCC5)cc(N5CCOCC5)c4)n3)c12,0,0,0,0
CN(C)CCN(C)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
C[C@H](Nc1nccc(N(CC2CCN(S(N)(=O)=O)CC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1,0,0,0,0
CC(=O)NC[C@H](NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C(C)C)C1CCCCC1,0,0,1,0
O=C1c2ccccc2C(=O)N1CCCn1cc(CN(Cc2cn(CCCN3C(=O)c4ccccc4C3=O)nn2)Cc2cn(CCCN3C(=O)c4ccccc4C3=O)nn2)nn1,0,0,0,0
COc1ccc(NC(=O)CCCn2c(=S)[nH]c3ccccc3c2=O)cc1,1,0,0,0
COc1ccc(CN(C)C2CCCCC2)cc1,0,0,0,0
O=S(=O)(Nc1ccccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1,1,0,0,0
O=C(c1cccc(F)c1Br)N1CC2CN(c3ncc4cc(F)ccc4n3)CC2C1,0,0,0,0
COc1cc2c(Nc3cc(Cl)c(Cl)cc3F)ncnc2cc1OC[C@@H]1CN2CCOC[C@H]2CO1,0,0,0,1
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(C)c1C,0,1,0,0
CC(N)=C(C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(Cl)c1,0,0,0,0
Cc1cccc2c1CC(C)(C)N=C2C1=C(O)CC(C)(C)CC1=O,0,0,0,0
COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccc(C(F)(F)F)cn1,0,0,0,0
O=C(c1ccco1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1,0,0,0,0
COCCNc1cc(-c2c(C)noc2C)ncn1,0,0,0,0
Cc1cccc(CN2CC(CCN3CC(N4CCOCC4)C3)(c3ccc(Cl)c(Cl)c3)CCC2=O)c1,0,0,0,0
CSc1nn2cc(-c3nc4cc(F)ccc4o3)nc2s1,0,0,0,0
Cc1ccc(/C=C/S(=O)(=O)NCc2ccc(F)cc2)cc1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)N2CCOCC2)c(N2CCOCC2)cc1N1CCOCC1,0,0,0,0
COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1OC,0,0,0,0
CC=C(C)C(=O)OC1c2cc3c(c4c2C2(CO4)C(=O)C(OC)=C(OC)C=C2CC(C)C1C)OCO3,1,0,0,0
CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCCOC(=O)c2cccc(S(=O)(=O)F)c2)c1=O,0,0,1,0
CSc1ccccc1OCc1cc(C(=O)NCc2cccc(C)n2)no1,0,1,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2cccc(OCCCN(C)C)c2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
COc1ccc2c(c1)[C@H](Nc1cc(O[C@@H]3C[C@@H](COS(N)(=O)=O)[C@@H](O)C3)ncn1)[C@H](OC)CC2,0,0,0,0
CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3Cl)c2C1=O,0,0,0,0
COC(=O)COc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3c3ccccc23)cc1,0,0,0,0
CC1(C)Cc2nc3sc4c(=O)[nH]cnc4c3cc2CS1,0,1,0,0
Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(Cl)cc1,0,0,0,0
Cn1ccnc1SCc1ccc([N+](=O)[O-])cc1,0,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC)c4)cc32)cc1C,0,0,0,0
Brc1cnc(Nc2ccc3nc[nH]c3c2)nc1NC1CCCc2ccccc21,0,0,0,0
CNc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12,0,0,0,0
CC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1)C(F)(F)F,0,0,0,0
COCCCC1CCN(C(=O)C2CCC(=O)N(Cc3ccccc3F)C2)CC1,1,0,0,0
Cc1cc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)no1,0,1,0,0
CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4ccc(NC5COC5)nc4c3)CC1)C2,0,0,0,0
FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)OCC2,0,0,0,0
NCc1c(-c2ccc(Cl)cc2Cl)ccc2[nH]cnc12,0,0,0,0
Clc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c(Cl)c1,0,0,0,0
CCCc1nc2n[nH]c(N)c2c2c1CCC2,0,0,0,0
CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC2=O)cc1,0,0,0,1
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(C(F)(F)F)cc2)c1)C(F)(F)F,0,0,0,0
C(=N/Nc1nc(-c2ccccc2)cs1)\c1ccco1,1,1,0,0
CCCCc1nc2cccc(C(=O)O)c2nc1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
Cn1c(=S)[nH]c2c(c1=O)C(C)(C)Cc1ccccc1-2,0,0,0,0
CNC(=S)N/N=C(\C)c1ccc(N2CCOCC2)cc1,0,0,0,0
COc1ccc(N(Cc2cccs2)C(=O)c2ccc(C(C)(C)C)cc2)cc1,0,0,0,0
Cc1ccc(C)c(OCc2cc(C(=O)N3CCN(c4cnccn4)CC3)no2)c1,1,0,0,0
CCOC(=O)c1c(NC(=O)COc2cccc3c2CCN(Cc2ccc(F)cc2)C3=O)sc2c1CCC2,1,0,0,0
CSCCC(NC(=O)c1ccccc1Br)C(=O)NCC1CCCCC1,0,0,1,0
COP(=O)(OC)C(Nc1cc(Cl)cc(Cl)c1)c1cccc(O)c1,0,0,0,0
Cn1nccc1C1Nc2cc(F)cc3c(=O)[nH]nc(c23)C1c1ncnn1C,0,0,0,0
Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC(C)CCN)c12,0,0,0,0
COc1ccc(CN2C(=O)NC(=O)/C(=C/c3ccoc3)C2=O)cc1,1,0,0,0
O=[N+]([O-])c1ccc(Sc2cccc(Cl)c2)c2nonc12,0,0,1,0
O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(F)c2oc3c(c2c1)CNCC3,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C,0,0,0,0
CC1(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1,0,0,0,0
CC1=C(C(=O)OCc2ccccc2)C(c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=O)N1CCC(=O)O,0,0,0,0
CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1,0,0,0,0
Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O,0,0,0,0
O=C1NC(=O)N(CC2CCCO2)C(=O)C1=Cc1c[nH]c2ccccc12,0,0,0,0
COc1cc2cc(-c3cccc(F)c3)cnc2cc1OC,0,0,0,0
CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(C)cc2)cc1,1,0,0,0
CN(C)C(CNc1nnnn1-c1ccccc1)c1ccco1,0,0,0,0
CC1(C)CC(=O)N(Cc2ccccc2)C(=O)C1,0,0,0,0
CCN(CC)c1ccc2c(c1)OC(=O)C(=CNc1ccc(CC(=O)O)c(-c3c4c(nc5ccccc35)CCC(C(=O)NN)C4)c1)C2=O,0,1,1,0
O=c1o[nH]c(-c2ccccc2)c1-c1ccccc1,0,0,0,0
Cc1c(OC[C@@H]2C[C@H]2c2ccccn2)nc2ccnn2c1NCc1cnn(C)c1,0,0,0,0
OCCC1CN(Cc2ccc(F)cc2Cl)CCN1CCc1ccccc1,0,0,0,0
c1ccc(C(c2ccc(Nc3ccc4c(c3)CCC4)cc2)n2ccnc2)cc1,0,0,0,0
COc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)c(C)c1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(C(F)(F)F)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
COC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H]1CCC(=O)NCCC(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1)C(=O)N[C@H](C(=O)NCC(N)=O)C(C)C,0,0,0,0
O=S(=O)(c1cccc(-c2nc3ccccc3s2)c1)N1CCCC1,0,0,0,0
CCn1c2ccccc2c2nnc(N3CCN(c4cccc(Cl)c4)CC3)nc21,1,0,0,0
CCCn1nc(-c2ccc(OCCCN3CCC(C)CC3)cc2)c2sccc2c1=O,0,0,0,0
Fc1cc(C(F)(F)F)cc(C(Cc2ccccc2)(Nc2nc3c(s2)CCCC3)c2ccc(Cl)cn2)c1,0,0,0,0
Cc1[nH]n2c(=O)c3c(nc2c1-c1cccc2ccccc12)CCC3,0,0,0,0
CCNc1nc(OCC)nc(N2CCC(Cc3ccccc3)CC2)n1,0,0,0,0
COc1cc(OCc2csc(C3(c4ccc(C(=O)N(C)C)cc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
NC(Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)O,0,0,0,0
COn1c(-c2ccccc2)c(C=O)c2cc(C#N)c(C#N)cc21,0,0,0,0
O=c1cc(N2CCCCC2)oc2c(-c3ncc(-c4cccs4)s3)cccc12,0,0,0,0
O=C1OC(C=Cc2ccccc2)=NC1=Cc1cccnc1,0,0,0,0
Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccccc3)c(-c3ccc(F)cc3)nc21,0,0,0,0
CCOC(=O)CC(NC(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C)c1ccc(C)cc1,1,0,0,0
O=C(O)CCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1,0,1,0,0
Cc1c(-c2ccnc(N)n2)sc2ccc(Cc3cccc(C(=O)O)c3)cc12,0,0,0,0
CC(=O)c1cnc2ccc(-c3ccc(O)cc3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
CCn1ncc(/C=N/NC(=O)c2ccc3c(c2)OCO3)c1C,0,1,0,0
N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(Cl)cc1-c1cccnc1,0,0,0,0
CN(C)CC(C)(C)COc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N,0,0,1,0
CCc1nnc2n1CCN(c1cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn1)C2,0,0,0,0
C=C(CN1CCOCC1)C(=O)Nc1cc2c(cc1OC)nc(Nc1ccccc1C)c1cncn12,0,0,1,0
CSc1cccnc1Nc1cccc(C)n1,0,0,0,0
C#Cc1cccc(Nc2ncnc3cc(OCCOCCn4ccnc4[N+](=O)[O-])c(OC)cc23)c1,0,0,0,0
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)CC,0,0,0,0
CCCc1nc2ccccc2c(=O)n1CCc1ccccc1,0,0,0,0
CCCC(C(=O)NC1CCCC1)N(Cc1cccs1)C(=O)c1snc(C(N)=O)c1N,1,0,0,0
Nc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12,0,0,0,0
O=C(C1=C(O)C(=O)N(CCOCCO)C1c1cccc([N+](=O)[O-])c1)c1cccs1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1cc(Cl)ccc1Cl,0,0,0,0
Nc1ccc(CC(C(=O)O)c2cn(C3CCCCC3)cn2)cn1,0,0,0,0
CCOC(=O)CN(Cc1cc(F)cc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
CC(=O)Nc1nnc(Cc2ccccc2)s1,0,0,0,0
O=C(c1ccc(Cl)c(F)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(Cl)cc1,0,0,0,0
COc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1OC,0,0,0,0
O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCCCC1CO,1,1,0,0
Cc1sc2nc(C)n(NC=C3C=CC(=O)CC3=O)c(=O)c2c1C,0,0,0,0
Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCC(N6CCCC6)C5)cc4c3)n2)c1,0,0,0,0
c1cn(-c2ccc(NC3CCCN(Cc4ccc5c(c4)OCO5)C3)cc2)cn1,0,0,0,0
Cc1ccccc1-c1ccc(/C=C/[C@H]2[C@@H]3CC[C@@H](O)C[C@H]3C[C@H]3C(=O)O[C@H](C)[C@@H]23)nc1,0,0,0,0
c1ccc2c(c1)OC(CCCN1CCCCC1)c1ccccc1S2,0,0,0,0
COC(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,1,0,0,0
CCc1nc(C(c2ccccc2)N2CCN(c3ccc(NC(=O)C(CC)CC)cc3F)CC2)no1,0,0,0,0
O=c1cc(CSc2ccc(Cl)cc2)nc(-c2ccncc2)[nH]1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2C(F)(F)CO3)C1=O,0,0,0,0
O=C(COC(=O)C=Cc1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12,1,0,0,0
Cc1cccc(C=NNc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1,1,0,0,0
Cc1c(NS(=O)(=O)c2ccc(CCCC3CCN(C)CC3)cc2)c(CC2CC2)nn1C,0,0,0,0
O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,0,1,0,0
CN(C)CCCNCC(=O)Nc1ccccc1N1CCOCC1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccc(C(C)=O)cc2)CC1,0,0,0,0
NNC(=O)CC12CC3CC(C1)CC(n1ncnn1)(C3)C2,0,0,0,0
Cc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1Cl,0,1,0,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C(N)=O)CC4)ccc3OCC)nc12,0,0,0,0
O=C1C=CC(=CNCC(O)c2ccc([N+](=O)[O-])cc2)C(=O)C1,1,0,0,0
Cc1ccc(C(=O)N(c2ccccc2)C2CCN(Cc3ccccc3)CC2)s1,0,0,0,0
CCn1c(SCc2ccccc2Cl)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21,0,0,0,0
Nc1ncc(-c2ccc(C3(c4noc(-c5ccc[nH]c5=O)n4)CCC3)cc2)cn1,0,0,0,0
CCc1ccccc1N(C)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC,0,0,0,0
Cn1cnc(S(=O)(=O)NCCOc2cccc(C3(Cc4ccccc4)CCN(CC(C)(C)C)C3)c2)c1,0,0,0,0
COc1cc(/C=C/[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1,0,0,0,0
Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2ccc(Cl)cc2)n1,1,0,0,0
Cc1ccc(C(c2nnnn2C2CCCCC2)N(C)C2CCCCC2)cc1,0,0,0,0
Cc1cc(-c2ccccc2)nc2oc(C(=O)NN)c(N)c12,0,0,0,0
COc1ccc(OC)c(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c1,0,0,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CN(C(C)=O)CC3)ncc1Cl,0,0,0,0
CCOc1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,0,0,0,0
CN(C)C1=C(c2c(-c3cc4ccccc4s3)n(CCCSC(=N)N)c3ccccc23)C(=O)NC1=O,0,0,0,1
Cc1cccc(-c2cc(NC(=O)C(C)(C)C)n(-c3ccccc3)n2)c1,0,1,0,0
CC(=O)Nc1c(O)[nH]c(SCc2ccc(Cl)cc2)nc1=O,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@@H]1CCC[C@H](CN(C)C)C1,0,0,0,0
CC1=C2c3ccc(O)cc3C[C@@]23CCC[C@H](C3)C1=O,0,0,0,0
CCc1ccc(CN[C@@H](C)Cn2c(=O)c(-c3cccc(OC)c3F)c(C)n(Cc3c(F)cccc3F)c2=O)o1,0,0,0,0
CCOc1ccccc1C1C(C(=O)Nc2ccccc2)=C(C)Nc2c(C(=O)Nc3ccc(F)cc3)cnn21,1,0,0,0
NS(=O)(=O)OC[C@@H]1C[C@@H](Nc2ncnc3nc(Cc4ccccc4)[nH]c23)C[C@@H]1O,0,0,0,0
CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1cccc(F)c1,0,0,0,0
CCn1cc(-c2cc3c(-c4cccc(N5CCN(C6COC6)CC5)n4)n[nH]c3cn2)cn1,0,0,0,0
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21,0,0,0,0
NC(=O)c1c(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)sc2c1CCCCC2,0,1,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCCN(CCO)CC6)cc5c4)n3c2)cn1,0,0,0,0
CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0,0,0
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccco1,0,0,0,0
COc1cc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)cc(OC)c1OC,0,0,0,0
Cc1c2cc[n+](CCN3CCCCC3)cc2c(C)c2c1[nH]c1ccc(O)cc12,0,0,0,1
CN(C)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2,0,0,0,0
S=C(NCc1ccccn1)Nc1cccc2ccccc12,0,0,0,0
Cn1cc(CCc2ccc3c(c2)CCO3)c2c(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cccc21,0,0,0,0
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCC5COCC(C4)N5)cn3)nc2n1C1CCCC1,0,0,0,0
O=C(Oc1ccccc1C(=O)N1CCOCC1)c1cccc(Br)c1,1,0,0,0
S=C(N/N=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl,0,0,0,0
COc1ccc(OCC(=O)N/N=C(\C)c2ccc(OC)cc2)cc1,0,1,0,0
O=C(Oc1cccc2cccnc12)c1ccco1,0,0,0,0
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2ccccc2O)CC1,0,0,0,0
CN1CCC(c2ccc(Nc3nc(-c4cc(F)cc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)cc2)CC1,0,0,0,0
Cc1c(Cl)cccc1NC(=S)[C-](C(=O)c1ccc(Cl)s1)[n+]1ccccc1,1,0,0,0
COc1ccccc1Oc1cc(-n2nc(C)cc2C)ncn1,0,0,0,0
Cc1c(OC(=O)N(C)C)ccc2c1O/C(=C\c1ccco1)C2=O,0,1,0,0
COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)OC(C)C4)cc3)o2)c1,1,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1,0,0,0,0
Cc1nc(C(N)=O)c(N)n1CCc1ccccc1,0,0,0,0
CCNC(=S)N1N=C2c3ccccc3CCC2C1c1ccc(F)cc1,0,0,0,0
O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccccc1Cl,1,0,0,0
O=c1c(CN2CCN(c3cccc(Cl)c3)CC2)coc2c(Cl)cc(Cl)cc12,1,0,0,0
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)c1,1,0,0,0
Cc1ccc(C(=O)COC(=O)c2cccc(O)c2)s1,0,1,0,0
Cc1ccc(S(=O)(=O)NC2CCOC(C)(C)C2)cc1,0,0,0,0
N#CC(=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(N)=O,0,0,0,0
O=c1[nH]c(CSc2ncnc3sc(-c4ccccc4)cc23)nc2ccccc12,0,0,0,0
CNC(=O)c1cccn1-c1ccsc1C(=O)OC,0,0,0,0
Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCO3)o1,0,1,0,0
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,0,0,0,0
CN(C)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
c1ccc2c3n(nc2c1)CCCS3,0,0,0,0
CN1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1,0,0,1,0
CNC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
c1cc2c3c(c1)[C@H]1CCC[C@H]1CN3CCNC2,0,0,0,0
Cn1c(-c2ccccc2)c(Cl)c2cc(C#N)c(C#N)cc21,0,0,0,0
CNc1cc(Cl)c2nonc2c1[N+](=O)[O-],0,0,0,0
O=c1c2ccccc2nc(-c2ccco2)n1Cc1ccccc1,0,1,0,0
CC1(O)CC(O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(=O)O)ccc3-4)cc2)C1,0,0,0,0
Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(c5ccccc5F)CC4)sc3c2c1,0,0,0,0
NS(=O)(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1,0,0,0,0
CC(C)Oc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1,0,0,0,0
O=c1[nH]c(=O)n(CCc2ccc(F)cc2)c(O)c1C=NCc1ccc2c(c1)OCO2,0,0,0,1
CC(=O)N1Cc2cc(Br)ccc2N(Cc2cnc[nH]2)CC1Cc1cccc2ccccc12,0,0,0,0
COc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1,0,0,0,0
CCCC1(c2ccccc2)NC(=O)N(CC(=O)N2CC(=O)Nc3ccccc32)C1=O,0,0,0,0
COc1ccc(CN(C(=S)Nc2ccccc2)C2CC(=O)N(c3ccc(F)cc3)C2=O)cc1,0,0,0,0
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4cc(O)ccc34)nn2)CC1,0,0,0,0
CNS(=O)(=O)c1ccc(OC(F)(F)F)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
COc1ccc2nc(N/C(N)=N/S(C)(=O)=O)nc(C)c2c1,0,1,0,0
Cc1ccc(-n2cc(C(=O)O)c(=O)cc2C)c(C)c1,0,0,0,0
O=C(O)c1ccc2cc(-c3ccc(OCC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1,0,0,0,0
C[C@H](NC(=O)Nc1cc2[nH]nc(OC[C@H]3CCC(=O)N3)c2cn1)c1ccccc1,0,0,0,0
COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cn1,0,0,0,0
CC(C)(C)S(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
Cc1ccc(N(CC#N)c2cc(Nc3ccc(OCC(O)CN(C)C)cc3)ncn2)c(Br)c1,0,0,0,0
CCCCCCN(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
CN(C)C(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOC(=O)c1c(NC(=O)C(C)N2CCN(S(=O)(=O)c3cccs3)CC2)sc2c1CCC(C)C2,1,0,0,0
COc1ccc(S(=O)(=O)Oc2cc(C(=S)N3CCOCC3)ccc2OC)cc1,0,0,0,0
C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,0,0,0,0
O=C1CCC(=O)N1c1cccc(-c2nc3ccccc3o2)c1,1,0,0,0
Cc1cccc(/C=C\c2ccccc2)n1,0,1,0,0
C[C@]12CCC(=O)C=C1C[C@@H](CCCc1ccc(OCCCC(=O)O)cc1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0,0,0,0
O=C(NC1CCNCC1)[C@@H]1CC[C@@H]2CN1C(=O)N2OS(=O)(=O)O,0,0,0,0
COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1,0,1,0,0
CN(C)C=CC(=O)c1ccc2noc(-c3cccc(F)c3)c2c1,0,0,0,0
Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(C(F)(F)F)c1)C2,0,0,1,0
CNC(=O)c1ccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,0,0,0,0
CS(=O)(=O)NC(Cc1ccc(N=C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,0,0
Cc1csc2nc(CNC(=O)c3ccco3)cn12,0,1,0,0
CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)CCN)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,0,0,0,0
O=C(OC1C2CC3CC1CC(O)(C3)C2)N1CC[C@H](Oc2ccc(C(F)(F)F)cn2)C1,0,0,0,0
CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C)c4c3)nn2CC2CC2)C1,0,0,0,0
COc1ccc(OC)c(NC(=O)c2csc(Cl)c2OC)c1,0,1,0,0
O=C(C(=O)N1CCN(c2cccc(Cl)c2)CC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12,1,0,0,0
O=S(=O)(c1ccccc1)N1CCC[C@@]2(CCN(c3ccncc3)C2)C1,0,0,0,0
Nc1ncnc(N2CCN(C(CN3CCCC3)c3cccc(C(F)(F)F)c3)CC2)c1Br,0,0,0,0
CC1=CC(=O)CC(C)(C)C1C=CC(CO)OC1OC(CO)C(O)C(O)C1O,0,0,1,0
COc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1OC,1,1,0,0
Cc1ccc(N(CCCN2CCN(Cc3ccc(F)cc3)CC2C)C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1Cl,0,0,0,0
CSc1ccc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1,0,0,0,0
Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12,0,1,0,0
c1ccc2c(c1)nc(-c1ccncc1)n1nnnc21,0,0,0,0
CCc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,0,0,0,0
Nc1nc2c(cnn2CCc2ccc3nc(CN4CCOCC4)ccc3c2)c2nc(-c3ccco3)nn12,0,0,0,0
CCOc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1,0,0,0,0
c1csc(CSc2nc3ccccc3s2)c1,0,1,0,0
O=S1(=O)c2ccccc2N(Cc2ccccc2F)c2ccccc21,0,0,0,0
CCC(=O)Nc1ccccc1-c1nc2ccccc2n(C(C)C(=O)Nc2ccc(OC)cc2)c1=O,1,0,0,0
CCCC(=O)Nc1nc2n(n1)C(c1ccccc1)CC(=O)N2,0,0,0,0
COc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1,0,0,0,0
COc1ccc(-c2cc(CNC(C)=O)on2)cc1,0,0,0,0
COCCn1nnnc1C(CC(C)C)N1CCN(c2ccccc2)CC1,0,0,0,0
COCCCN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1,0,0,0,0
COc1cccc(N2CCN(C(=O)Nc3ccc4c(c3)NC(=O)CO4)CC2)c1,0,0,0,0
CC(C)Cc1cc(C(=O)N(C)C2CCCN(Cc3ccccc3F)C2)n(C)n1,1,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(C)[C@@H](Sc3ccccn3)S(=O)(=O)C12,0,0,0,0
Cc1c(C(=O)OCC[N+]2(C)CCCCC2)oc2ccccc12,0,0,0,1
O=C(c1ccccc1Cl)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
Cc1noc(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1,0,0,0,0
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1,1,0,0,0
CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3CCCOC)cc1,0,0,0,0
O=S(=O)(C(=CNc1ccccc1)S(=O)(=O)c1ccccc1)c1ccccc1,0,0,0,0
CNC(=O)NNC(=O)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC,0,0,0,0
CCCCN(C)C(=O)Cn1cnc2sc(C)cc2c1=O,0,0,0,0
C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)cc1OC,0,0,0,0
Cc1cc(C)c(NC(=O)CSc2nc(=O)c(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c[nH]2)c(C)c1,1,0,0,0
COc1ccc(-c2n[nH]cc2Oc2ccccc2OC)c(O)c1,0,0,0,0
O=c1c2c(CN3CCNCC3)c(-c3ccc([N+](=O)[O-])cc3)sc2n(Cc2c(F)cccc2F)c(=O)n1-c1ccccc1,0,0,0,0
Cc1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1,0,0,0,0
CC(C)C[C@H](NC(=O)CN1C=CC(N2CCCCC2)CC1=O)B(O)O,0,0,0,0
CCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,0,0,0,0
NC1CCC(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cn[nH]c4)cc23)CC1,0,0,0,0
CC(C)C[C@@H]1NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)cn2)CC1,0,0,0,0
COc1cc(F)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1OC,0,0,0,0
N[C@@H](CSC1(c2ccc(Cl)cc2)c2ccccc2CCc2ccccc21)C(=O)O,0,0,0,0
CN(C)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1,0,0,0,0
COc1ccc(N2C(=O)CC(c3ccc(OC(C)C)cc3)C2=O)cc1,0,0,0,0
CCCc1c(CSCc2ccc(-c3nn[nH]n3)cc2)ccc(C(C)=O)c1O,0,0,0,0
CC(Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl,0,0,1,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)CN)CC1,0,0,0,0
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1Cl,0,0,0,0
NS(=O)(=O)c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1,0,0,0,0
CCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C,0,0,0,0
Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccc(Br)cc3)sc2c1,1,0,0,0
O=C(O)C(=O)/C(=C\c1cccc2ccccc12)c1ccc2ccccc2n1,1,0,0,0
CCCc1nnc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)s1,1,0,0,0
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)ccc1C,0,1,0,0
Cc1ccccc1CSc1nc(=O)cc(C(C)(C)C)[nH]1,0,0,0,0
Cc1snc2sc(C(=O)c3ccc(F)cc3)c(N)c12,0,0,0,0
Nc1ncnc2nc(-c3cccs3)c(Cc3cccc(Br)c3)cc12,0,0,0,0
CC(C)C(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,0,0,0,0
Nc1ncc2[nH]cnc2n1,0,0,0,0
Clc1nnc(N2CCCCC2)c2ccccc12,0,0,0,0
CC12CN3CC(C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O,0,0,0,0
O=C1CC(N2CCSCC2)C(=O)N1c1ccccc1,0,0,0,0
O=C(O)CC[C@@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O,0,0,0,0
O=C(O)CC1(c2ccc(F)cc2)CCCCC1,0,0,0,0
CCCCNC(=O)Oc1cccc(CN(CCCOc2ccc3c(=O)c4ccccc4oc3c2)C(C)C)c1,0,0,0,0
CCN(Cc1ccc(OC)c(F)c1)C(=O)c1oc2ccccc2c1COC,1,0,0,0
Cc1ccc(-c2noc(N=O)c2NO)cc1,0,0,0,0
O=C(O)C1CC(O)CN1C(=O)c1ccco1,1,0,0,0
COc1ccc(Oc2coc3cc(OC(C)C(=O)O)ccc3c2=O)cc1,0,0,0,1
Cc1ccc2nc3c(cc(C#N)c(=O)n3-c3nccs3)c(=O)n2c1,0,0,0,0
O=S(=O)(N1CCCCC1)N1CCN(c2cc(Cl)ccc2Cl)CC1,0,0,0,0
CCCc1ccccc1OCC1=NCCN1,0,0,0,1
COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3ccccc3F)n2)cc1,1,0,0,0
CS(=O)(=O)NC(=O)NCCc1c(-c2ccc(F)cc2)[nH]c2ccc(Br)cc12,0,0,0,0
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1cccc(C(F)(F)F)c1,1,0,0,0
CC(=O)Nc1sc(C)c(C)c1C(=O)OCCOc1ccccc1,1,0,0,0
Cc1cccnc1-c1cc(N2CCC3(CC2)CNC(=O)O3)ncc1Cl,0,0,0,0
CCOc1ccc(OCC)c(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)c1,0,0,0,0
c1ccc(-c2ncnc3[nH]ccc23)cc1,0,0,0,0
COc1cccc(-c2nccnc2C2CN(c3nc4ccc(F)cc4s3)C2)c1,0,0,0,0
COc1ccccc1-c1ccc(=O)n(CC(=O)NC2CCc3ccccc32)n1,1,0,0,0
CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
CC(C)(O)c1cncc(-c2nc3ccc(F)cn3c2C#N)c1,0,0,0,0
CCCCSc1nnc2c(n1)OC=Nc1ccccc1-2,0,1,0,0
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1Cl,0,0,0,0
CCCCn1c(O)c(/C=C2\C=NN=C2c2ccccc2)sc1=S,0,0,0,0
CCCC(=NCCc1c(C)[nH]c2ccccc12)C1=C(O)CC(c2ccccc2)CC1=O,0,0,0,0
CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc2n1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCNCC3)c(C)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccccc1CNC(=O)c1oc2ccc(S(=O)(=O)N3CCCCC3)cc2c1C,1,0,0,0
COCCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,0,0,0,0
CCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1,0,0,0,0
C#CCN(C)Cc1ccc(OCCCCN2CCN(c3cccc4c3ccn4Cc3cccc(Cl)c3)CC2)cc1,0,0,1,0
Cc1nn(-c2cc(Cl)cc(CCC(=O)NCCO)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
CCC(=O)c1c(OCc2ccccc2)ccc2c(C)cc(=O)oc12,0,0,0,0
O=C(C=Cc1cccc(F)c1)N1CCN(c2ncccn2)CC1,1,0,0,0
Nc1ccc2cc(-n3c(-c4ccnc(NC5CCOCC5)c4)n[nH]c3=O)ccc2c1,0,0,0,0
COc1cc([C@H](Cc2ccccc2)NC(C)=O)oc(=O)c1,0,0,0,0
COCc1nc(C)nn1-c1cc(N2CC(c3nc4ccccc4n3C)C2)nc(C2CC2)n1,0,0,0,0
O=C1C(I)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1,0,0,0,0
C=C(Br)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CC(C)(C)c1cc[n+](-c2[nH]c(=O)sc2C=NNC(=S)Nc2ccccc2)cc1,0,0,0,0
COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(C#N)cc1,0,0,0,0
O=C1CCCC(O)=C1C=NCCc1ccccc1,0,0,0,1
COc1c(OCC(C)=O)ccc2c3c(c(=O)oc12)CCCC3,0,0,0,0
COc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1,0,0,0,0
CC1=CC(=O)C=C(C)C1=NOc1ccc([N+](=O)[O-])cc1,0,0,0,0
Cc1ccccc1N1CC(=O)N(c2ccccc2C)CC1=O,0,0,0,0
N=C(N)NC(=O)c1cccc2c1Cc1ccccc1-2,0,0,0,0
CCOc1cc(C2CC(=O)Nc3[nH]c(SCc4ccccc4)nc(=O)c32)ccc1O,0,0,0,0
COCCNC(=O)CCCCCn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
COc1ccc(CN2CCN(c3nc4c(C#N)nccc4nc3NC3CC3)CC2)c(F)c1,0,0,0,0
Clc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,0,0,0,0
CCCCC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N,0,0,1,0
O=C(NCCc1ccccc1)c1cc(-c2ccc3c(c2)OCO3)on1,1,0,0,0
COc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)CC2c2cccs2)cc1,0,0,0,0
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccccc4S(=O)(=O)O)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O,0,0,0,0
COc1ccc(S(=O)(=O)NCC2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)cc1,1,0,0,0
COc1ccc(C2CC(c3ccc(Br)cc3)=NN2c2ccccc2Cl)cc1,0,0,0,0
O=C1C(Cl)=C(N2CCN(CCO)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1,0,0,0,0
CS(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCCCC2)cc1F,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(C)cc2)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
O=P(O)(O)CC[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,0,0,0,1
CC1=NCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl,0,0,0,0
CSc1nc2c(cc1C#N)CCCCC2,0,0,0,0
CCOC(=O)NC(Cc1ccc(N=C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,0,0
COc1cccc(-c2csc(NN=C3CCCCCC3)n2)c1,0,0,0,0
COCCNC1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1,0,0,0,0
Cc1cccc(-n2ncc(C(=O)N3CCN(c4ccc(C)cc4C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1,0,0,0,0
O[C@H](CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F,0,0,0,0
CCN(CC)CCCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(CN(C)Cc3ccccc3)cc1)C2,0,0,0,0
CN(C)CC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,0,0,0,0
COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCC(C)C,0,0,0,0
N#Cc1ccccc1Cn1c(N2CCCC(N)C2)nc2c1C(=O)N(Cc1ccccc1)C2=O,0,0,0,0
C=CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,0,0,0,0
COc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,0,0,0,0
COc1cccc(C(c2c(O)n(C)c(SC)nc2=O)c2c(O)n(C)c(SC)nc2=O)c1,0,0,0,0
Cc1cc(N/N=C/c2ccccc2F)nc(NCc2ccccc2)n1,0,1,0,0
Cc1ccc(C2=C(c3cn[nH]n3)C(=O)NC(C#CCCC(C)C)(C(F)(F)F)C2)cc1,0,0,0,0
Cc1cc(C)nc(N2CCC3(CCCN(Cc4n[nH]nc4-c4ccccc4)C3=O)CC2)n1,0,0,0,0
Cc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21,1,0,0,0
COc1nn2cc(-c3ccc(C(F)(F)F)cc3)nc2s1,0,0,0,0
CCCC[C@H]1CN(CC2CCC(OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2,0,0,0,0
COc1ccc(OC)c(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCCOC(C)C)CC(=O)N32)c1,1,0,0,0
c1nc(NCCN2CCOCC2)c2cc(-c3ccoc3)ccc2n1,1,0,0,0
CCC1(c2ccccc2)c2c(ccc(Cl)c2F)NC(=O)N1CC(F)(F)F,0,0,0,0
CC(C)CNc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
CCOc1ccc(N(CC(=O)NCCc2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1,1,0,0,0
O=C1Nc2ccccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,0,0,0,1
CC(=O)c1cccc(CN2CCN(Cc3ccccc3)C(CCO)C2)c1,0,0,0,0
O=C(O)C=CC(=O)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1,0,0,1,0
CO/C=C\C=C/c1nnn(-c2ccc(Cl)cc2)n1,1,0,0,0
O=C(NCc1ccc2c(c1)OCO2)C1CCN(c2ccc(S(=O)(=O)N3CCCC3)cc2)CC1,1,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(C#N)cc3)c2)n1,0,0,1,0
Brc1ccc(-c2nnc3sc(CN4CCc5ccccc5C4)cn23)cc1,0,0,0,0
CCC(C(=O)O)C1(O)CCC(c2ccccc2)CC1,0,0,0,0
CCCC1=NC(C)(C)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
COc1ccc(CNc2nc(-c3ccoc3)nc3ccccc23)c(OC)c1,1,0,0,0
COC(=O)c1cc(OC(=O)c2ccc(=O)[nH]c2)cc(C(=O)OC)c1,0,0,0,0
CC1(C)CC(=O)N(c2cnc(C#Cc3cccc(F)c3)cn2)C1,0,0,0,0
CCOc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1,1,0,0,0
COCc1cc(=O)[nH]c(Nc2nc3ccc(C)cc3o2)n1,0,1,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1,0,0,0,0
COc1cc(OC)cc(-c2cnc(NC(=O)N3CCCc4ccc(C=O)nc43)cc2OC(C)C)c1,0,0,1,0
CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1,1,0,0,0
CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)C(C)=O,0,0,0,0
O=C1Nc2ccccc2N=C(c2ccccc2)C1Br,0,0,0,0
O=[N+]([O-])c1ccccc1NCCOc1ccccc1,0,1,0,0
CN(c1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1)S(C)(=O)=O,0,0,0,0
Cc1cc2nc(-c3ccc(NC(=O)c4cc5ccccc5o4)cc3)oc2cc1C,0,1,0,0
COC(=O)c1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c21,0,0,0,0
COc1ccc(Nc2nc(NCc3ccco3)nc(N/N=C/c3ccccc3F)n2)cc1,1,0,0,0
CCCCOc1ccc(C(=O)NCC(=O)N(C)CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1,1,0,0,0
CCCCC1CC(C)(C(=O)CSc2nc3ccccc3s2)OC1=O,0,0,0,0
c1ccc(-c2nc(-c3cccc4ccccc34)c(Nc3ccc4ccccc4c3)o2)cc1,0,0,0,0
CC(=O)N1CCN=C1SCc1ccc(Br)cc1,1,0,0,0
N#CC(c1ccccc1)N(C(=O)CCCl)c1ccccc1,0,0,0,0
CC(C)Oc1ccccc1OCCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,0,0,0,0
CNC(=O)[C@@H]1[C@@H](CCCN=C(N)N)C(=O)N1C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,0,0,0,0
O=[N+]([O-])c1cccnc1NCCc1ccccc1,0,1,0,0
CN(c1nc2ccc(F)cc2s1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
O=C(O)CCCNc1cc(N2CCC3(CC2)OCCO3)c2noc3c2c1C(=O)c1ccccc1-3,1,1,0,0
S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccco1,0,0,0,0
CCOC(=O)C(=CNc1ccc(NC2=NCC(C)S2)cc1)C(=O)OCC,0,0,0,0
CC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1,0,0,0,0
COc1ccc2c(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)cnn2n1,0,0,0,0
CC(C)CCN1CCN(Cc2ccc(C#CCCO)cc2)CC1CCO,0,0,0,0
O=C(O)c1cccc2sc3cc(Cl)ccc3c(=O)c12,0,0,0,0
C[C@H]1CCC[C@@H](N2CCC(c3cc(Cl)ccc3-n3cncn3)=CC2=O)c2cc(ccn2)-c2ccccc2NC1=O,0,0,0,0
Cc1c(-c2cccc(O)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
CCOC(=O)Cn1nnc2c(sc3nc4c(c(-c5ccccc5)c32)CCC4)c1=O,0,0,0,0
Nc1[nH]cc[n+]1Cc1cc(=O)[nH]c(=O)[nH]1,0,0,0,0
COc1ccc2c(c1)-c1c(ccn1C[C@@H](C)N)C2,0,0,0,0
CCOc1cc(=O)n(C)cc1-c1cc(NCc2ccc(-c3ccccc3C(F)(F)F)o2)ccc1Oc1ccc(F)cc1F,0,0,0,0
CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21,0,0,0,0
Cc1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc2c3c(oc12)CCNC3,0,0,0,0
COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2C)cc1,1,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)N(C(C)C)C3CCCCC3)c2)on1,0,0,0,0
Cc1nnc(SCc2ccc(CSc3nnc(C)c(=O)[nH]3)cc2)[nH]c1=O,0,0,0,0
COc1cccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)c1,0,0,0,0
Clc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,1
O=c1n(-c2ccc(Oc3ccccc3)cc2)ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,0,0,0,0
Cc1cc(C)nc(-n2ncc(C#N)c2N)n1,0,0,0,0
Cc1ccc(-c2nc3ccc(C4=NNC(=O)C5CC45)cc3o2)cc1C,0,0,0,0
CCC(CO)NS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1,0,0,0,0
O=c1cc(O)c2ccccc2n1Cc1ccccc1,0,0,0,0
Cc1ccc(CSc2nc(=O)c3ccccc3[nH]2)cc1,0,0,0,0
O=C1OC(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c21,0,0,0,0
COc1ccc2nc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CCN1C(=C2C(=O)N(C)C(=S)N2C)C=Cc2ccccc21,0,0,0,0
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)N4CC(C)CC(C)C4)c3C2=O)CC1,0,0,0,0
N#Cc1c(C(F)(F)F)cc(=O)n2c1[nH]c1ccccc12,1,1,0,0
CNCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
Cn1c(COc2ccc3ccccc3c2)nnc1SCC(N)=O,1,0,0,0
CC#CC(=O)N(Cc1ccccc1)C(C(=O)NC1CCCCC1)c1cccnc1,0,0,1,0
O=C(Nc1cccnc1)c1ccc(NC(=O)c2ccco2)cc1,1,0,0,0
CCn1cc(Nc2cc(-n3ncc4cc(Cl)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
O=C(O)CCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1,0,0,0,0
CCCC1=C(C(=O)OCC)C(c2ccccc2OCC)NC(=O)N1C,0,0,0,0
Cc1ccc(C(=O)O)cc1NCc1ccncc1,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O,0,0,0,0
CCCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
CCC(=O)N1CCCn2nc(COc3ccccc3)cc21,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N(C)C)cc1,1,0,0,0
CCc1ccc(C2=NN(C(=O)OC)C(O)(C(F)(F)F)C2)cc1,0,1,0,0
O=C(COc1ccccc1Cl)NC(=O)NC1CCCC1,0,1,0,0
CN(C1CCC1)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Cl)CC1,0,0,0,0
N#CC1(CCCN2CCC(O)(c3ccc(Cl)c(C(F)(F)F)c3)CC2)c2ccccc2CSc2ccccc21,0,0,0,0
O=C(c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O)N1CCCCC1,0,0,0,0
COc1cccc(CN2C(=O)CN(C3CCCCC3)C(=O)C2c2ccc(OC(C)C)c(OC)c2)c1,1,0,0,0
CC1CCN(C(=O)CCCOc2ccc(Cl)cc2)CC1,1,0,0,0
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC(C(=O)N4CC=C(c5ccccc5)CC4)CC3)ccc21,1,0,0,0
COc1ccc(/C=N/Nc2nnc(Cc3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1,0,0,0,0
Cc1c(N/C=C2\C(=O)N(Cc3ccco3)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C,1,0,0,0
Cc1nc2ccccc2nc1N1CCN(C)CC1,0,0,0,0
CCC(C)(C)C1CCC2(CC1)NC(=S)N(c1ccccc1)N2,0,0,0,0
CC(=O)O[C@H]1C[C@@H](O)C[C@H](O)C[C@@H](O)[C@@H]2O[C@H]2[C@@H](C)[C@@H]([C@@H](C)[C@@H](O)[C@H](C)[C@@H](O)[C@@H](C)[C@@H](C)O[C@H]2CC[C@H](O[C@@H]3CC[C@@H](OC(=O)[C@H](C)[C@@H](O)/C(C)=C/c4ccc5c(c4)C(=O)C=CC5=O)[C@H](C)O3)[C@H](C)O2)OC(=O)/C=C/[C@H](C)[C@@H](O)C[C@H](O)/C=C/CC[C@@H](C)[C@@H](O)[C@H](O)[C@@]2(O)O[C@@H](C1)C[C@@H](O)[C@@H]2O,0,0,0,0
C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4ccccc4Br)CC3)cc2C1=O,1,0,0,0
O=c1c2cc3c(cc2nc2sc(Nc4cccc([N+](=O)[O-])c4)nn12)OCO3,0,0,0,0
CN1CCc2cc3c(c4c2C1Cc1ccccc1-4)OCO3,0,0,0,1
CCN1C(=O)N(c2ccc(C#Cc3cccnc3)cn2)C2CCCCC21,0,0,0,0
Cc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)n2)cc1,0,0,0,0
Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1,0,0,0,0
CC(C)CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[SH]2[O],1,0,0,0
Cn1c(Nc2ccc(Cl)cc2F)nc2cc(-c3ccccc3)sc2c1=O,0,0,0,0
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C/c1cccs1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
c1ccc2c(c1)ccc1oc(C3=NCCN3)cc12,0,0,0,0
Cc1cccc(C)c1NC(=S)[C-](C(=O)c1cccs1)[n+]1ccccc1,0,0,0,0
CC(=O)/C=C/C1=C(C)CCCC1(C)C,0,0,1,0
CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2ccno2)n1Cc1ccc(C(=O)OC)cc1,0,0,0,0
O=C(COc1ccccc1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1,1,0,0,0
O=C1CN(C(=O)c2cc(NC(=O)c3cc(-c4ccccn4)c(Cl)cc3Cl)n(-c3ccccc3)n2)CCN1,0,0,0,0
NC(=O)c1cccnc1COc1cc(-c2ccc(S(=O)(=O)C(F)(F)F)cc2)cc2ncccc12,0,0,0,0
CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCN(CC)CC)ccc2c1=O,0,0,0,0
C[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C1=O,0,0,0,0
O=C(CNC(=S)N(Cc1ccccc1)Cc1cccnc1)NC1CCCCC1,1,0,0,0
O=S(=O)(c1ccc(Cl)cc1)n1cnc2ccccc21,0,0,0,0
O=S(=O)(Nc1nc2ccccc2nc1N1CCc2ccccc2C1)c1ccc(Cl)cc1,0,0,0,0
COc1ccc(C(=O)C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)cc1F,1,0,0,0
O=C(CSc1nc(=O)cc[nH]1)NCc1ccc(Cl)cc1,1,0,0,0
CCOCCn1cnc2sc(C(=O)NCC(=O)OCC)c(C)c2c1=O,0,0,0,0
O=c1[nH]cnc2cc(-c3ccccc3)sc12,0,1,0,0
N#Cc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)cc1,0,0,0,0
CCC(=O)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1,1,0,0,0
COc1ccc(C2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)cc1,0,0,0,0
COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
C[C@H](Nc1cc2c(cn1)cnn2-c1ccccc1C(N)=O)c1ccccc1,0,0,0,0
COc1cccc(CNc2cnc3ccccc3c2)c1O,0,1,0,0
COc1cc(O)cc(C)c1C(=O)OC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1OC(C)=O,0,0,0,0
O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1,0,1,0,0
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1Cl,1,0,0,0
CC(=O)NS(=O)(=O)c1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0,0,0,0
CC(=O)Nc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1,0,0,0,0
CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)CCCC2=O,0,0,0,0
Nc1c2c(=O)[nH]c(O)cc2nn1-c1ccccc1,0,0,0,1
O=C(O)CNC(=O)c1c(O)c2ccc(F)cc2n(Cc2ccccc2Cl)c1=O,0,0,0,0
COC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,1,0,0,0
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(CC(C)(C)O)c3)nc12,0,0,0,0
CCCOC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
CC1CCCC(NC(=O)CCS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)C1C,0,0,0,0
CN(C)CCNC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
CCCC12CN3CC(CCC)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O,0,0,0,0
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-],1,0,0,0
O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccccc3)ccc2O1,0,0,0,0
O=c1c(-n2cnc(C(F)(F)F)c2)c[nH]n1-c1ccc(CO)cn1,0,0,0,0
O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C\C=C\c1ccccc1,1,0,0,0
NS(=O)(=O)c1ccc(-c2ccc(/C=N/Nc3ccc(C(=O)O)cc3)o2)cc1,0,1,0,0
Nc1nc2ccc(NCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1,0,0,0,0
Cc1ccc(C)c(Nc2nc(N)c3ccccc3n2)c1,0,1,0,0
COc1ccc(CC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)cc1,1,0,0,0
CCNc1nc(NC(C)(C)C)nc(N(CC)n2cnnc2)n1,0,0,0,0
CCn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
CCOC(=O)c1c(NC(=O)CN2C(=O)NC3(CCC(CC)CC3)C2=O)sc(C)c1-c1ccc(C)cc1,1,0,0,0
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(O)cc1,0,0,0,0
C=CCC1(CC(C)C)C(=O)NC(=S)NC1=O,0,0,0,0
COCCn1c(=O)c(-c2ccccc2)nc2cncnc21,1,0,0,0
CCOC(=O)Cc1csc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)n1,1,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2C(=O)CCC(=O)O)cc1,0,0,0,0
C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)ccc3F)ccc12,0,0,1,0
Cn1c(=O)n(CC(=O)OCc2ccccc2)c(=O)c2c1nc1n2CCCN1C1CCCCC1,1,0,0,0
C[C@@H]1CN(c2nc(C(F)(F)F)no2)CCN1c1ncc(OCc2ccc(CS(C)(=O)=O)cc2F)cn1,0,0,0,0
COc1cc(C2CC(=O)c3cnc(N)nc3C2)cc(OC)c1OC,0,0,0,0
COc1ccccc1C(c1nnnn1CC1CCCO1)N1CCN(c2ccccc2)CC1,1,0,0,0
Cc1nc(Cl)c2c(n1)N(CC(N)=O)C(=O)CO2,0,0,0,0
Cc1sc2ncnc(NCC3CCCO3)c2c1C,0,0,0,0
CC(C)N1C(=O)[C@]2(C)O[C@](C)(C1=O)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,0,0,0,0
COc1ccc(CCNC(=O)COC(=O)COc2c(C)cc(C)cc2C)cc1OC,1,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC(c1ccccc1)C1CC(=O)N(CC(=O)O)C1=O,0,0,0,0
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1O[C@@H]1C[C@H]2OC[C@H](OC)[C@H]2O1,0,0,0,1
COc1ccc(C(C)(C)c2cnc(SCCOc3ccc4[nH]ccc4c3)n2-c2ccc(F)cc2)cc1OC,0,0,0,0
CC(C)n1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
CCCCn1c(CCC(=O)O)nc2cc(S(=O)(=O)N3CCCC3)ccc21,0,0,0,0
Clc1cc(N2C[C@@H]3CN[C@@H]3C2)cnc1Cl,0,0,0,0
O=C(O)c1ccc(-c2nc(-c3ccc(Cl)cc3)cs2)cc1,0,1,0,0
Cc1cc(Cl)c2c(c1)C1(C(=O)N2)C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21,0,0,0,0
COc1cc(-c2ccc3ncc(C(C)=O)c(NC4CCC(CCN(C)C)CC4)c3c2)cc(Cl)c1O,0,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)NCc4ccc5c(c4)OCO5)ccc3c2=O)cc1,1,0,0,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C=C\C=C(C)/C=C/C=C(C)/C=C/C2=C(C)C(O)C(=O)CC2(C)C)C(C)(C)CC(=O)C1O,1,0,0,0
CCc1cccc(Oc2nn[nH]n2)c1,0,0,0,0
CCn1c(Cn2nnc(-c3ccccc3)n2)n[nH]c1=S,0,0,0,0
O=C(NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21)C(F)(F)F,0,0,0,0
NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(-c2ccccc2)cc1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1,1,0,0,0
COC(=O)c1sccc1NC(=S)Nc1cccc(F)c1,0,0,0,0
Cc1cccc(C(=O)Oc2ccccc2/C=N/Nc2ccc([N+](=O)[O-])cc2)c1,1,0,0,0
N#Cc1ccc(Cn2nc3c(-c4ccncc4)c(-c4ccc(Cl)cc4)c(=O)n(Cc4ccc(C#N)cc4)n3c2=O)cc1,0,0,0,0
CCc1ccc2nc(NC(=O)c3cc(C)on3)sc2c1,0,1,0,0
Cc1ccnc(NC(=O)c2cccc(NC(=O)CC3SC(N4CCCCC4)=NC3=O)c2)c1,1,1,0,0
Cl.Oc1ccccc1/C=N/NC1=NCCCCC1,0,1,0,0
Fc1ccc(-c2nnc(Cc3nnc(-c4ccc(F)cc4)o3)o2)cc1,0,0,0,0
CCCc1nc(C)c2c(C)nc3ccc(C)nc3n12,0,0,0,0
COc1ccc2c(c1)CCC(=Cc1ccc(C)o1)C2=O,0,0,0,0
COc1cc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc(OC)c1OC,0,0,0,0
COc1ccc(C(CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc1,1,0,0,0
O=C1c2ccccc2C(=O)N1c1ccc(-c2nc3ccccc3o2)cc1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2cccc(F)n2)CC1,0,0,0,0
CN(C[C@@H]1CCC(=O)N1)[C@@H]1CC[C@H](OCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H]1c1ccccc1,0,0,0,0
COc1ccc(C/C(C)=N/NC(=S)Nc2c(C)cccc2C)cc1,0,0,0,0
O=C(c1cccnc1)N1C2CCC1CC(O)(c1ccc(F)cc1)C2,0,0,0,0
CCNC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
Cc1cc(=O)cc(C)n1-c1ccc(Cl)cc1,0,0,0,0
CC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(Br)cc3)cc12,0,0,0,0
COc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C(=O)C(F)(F)F)CC2,0,0,0,0
CCn1cnc2cc(NCc3nc4ccccc4n3C)ccc21,0,1,0,0
CC1CC(C(O)C(C)(C)O)OC2CC3(C)C(=C12)CC(O)C1C2(C)CCC(=O)C(C)(C)C2CCC13C,0,0,0,0
N#CN1CC(CNS(=O)(=O)c2ccccc2)C1,0,0,1,0
C=CCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2C)SC1=NCc1ccccc1,0,0,0,0
Cc1c(-c2csc(-c3cccc(C(F)(F)F)c3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,0,0,0,0
CNc1cc(=O)c2cc(-c3cnco3)c(OC)cc2[nH]1,0,0,0,0
COc1ccccc1CNC(=O)C1CCCN1C(=O)C1Cc2ccccc2CN1C(=O)OC(C)(C)C,1,0,0,0
NC[C@H]1CN(Cc2ccc(C(F)(F)F)cc2)C(=O)C[C@@H]1c1cc(F)ccc1F,0,0,0,0
NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,0
CC(=O)c1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1,0,0,0,0
N=C(N)N(CCCCCN1CCCC1)Cc1ccc(Cl)cc1,0,0,0,0
O=C1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2CCN1C1CCCC1,0,0,0,0
N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12,0,0,0,0
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1cccc(O)c1,1,1,0,0
COc1ccc(-c2ccc(OCCN3CCC[C@H]3C(=O)O)c(Sc3cccc(F)c3)c2)cc1,0,0,0,0
Cc1nc2sc3cc(OCc4ccc5ccccc5n4)ccc3n2c1-c1ccncc1,0,0,0,0
CC(C)C(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cccc(c32)C1,0,0,0,0
CCn1c2ccccc2c2nnc(N3CCN(c4ccc(OC)cc4)CC3)nc21,0,0,0,0
CCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21,0,0,0,0
CC1CC(Nc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2)c2ccccc21,0,0,0,0
Cc1ccc(Cl)cc1N1C(=O)CC(Sc2ncccn2)C1=O,0,0,0,0
CC1(C)CC(=O)C(C2=NC(C)(C)Cc3ccccc32)=C(O)C1,0,0,0,0
CCCn1c(=O)c2c(cc(-c3ccccc3)n2O)n(CCC)c1=O,0,0,0,0
NC1=NC(=O)/C(=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1,0,0,0,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](O)(CN(C)Cc3ccc(-c4cn(CCCC(=O)NO)nn4)cc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,0,0,0,0
COc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1,0,0,0,0
Cc1ccc(N=Nc2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1,0,1,0,0
COc1cccc(OC)c1-c1nn2c(-c3ccccc3Cl)nnc2s1,0,0,0,0
Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(C(F)(F)F)cc4)n2C)CC3)n(C)n1,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Cl)cc3C#N)c12,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](NC(=O)[C@@H](CO)NC(=O)[C@H](N)CO)CSSC[C@H](C(=O)O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O,0,0,0,0
COc1cccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCCOC(C)C)CC(=O)N32)c1,0,0,0,0
O=C(CSc1cccc[n+]1[O-])c1cc2ccccc2o1,0,1,0,0
Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CN(C)C1,0,0,0,0
COc1cc([C@@]2(O)CCNC[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
NC(=O)c1ccc(NCc2cccc(F)c2)c2cccnc12,0,0,0,0
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccc(Br)cc1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Nc1ncnc2c1nc(Br)n2C1CCCC1,0,0,0,0
CCCCNC(=O)C1(C)CCCC2(C)C3CCC4(C)CC3(CCC12)CC4=O,0,0,0,0
CNC1(c2ccccc2Cl)CCCCC1=O,0,0,0,0
O=C1OC(=O)c2ccccc21,0,0,1,0
COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2C)o1,0,1,0,0
Cc1ccc(C(=O)NCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1C,0,1,0,0
Nc1nc(N)c2nc(CNc3ccc(S(N)(=O)=O)cc3)cnc2n1,0,0,0,0
COc1ccc(C(=O)C2CCCN(C(=O)c3ccccc3C(C)=O)C2)cc1F,1,0,0,0
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1,0,0,0,0
O=c1nc2ccccn2c2ccc(S(=O)(=O)N3CCCCC3)cc12,0,0,0,0
COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)cc1OC,1,0,0,0
Cc1ccnc(NC(c2ccccc2)c2oc(CO)cc(=O)c2O)c1,0,0,1,0
Cc1ccc(C=Cc2ccc(=O)[nH]n2)cc1,0,0,0,0
CC(C)Oc1ccc(C2CC(=O)N(c3cccc(/C=C/C(=O)O)c3)C2=O)cc1,0,1,0,0
Cc1ccccc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1,0,0,0,0
COc1ccc(C(Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1,0,0,1,0
O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cccs1,0,1,0,0
CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c21,0,0,0,0
Fc1ccc(N2CCN(Cc3cn4ccncc4n3)CC2)cc1,0,0,0,0
Clc1ccc(OCc2nc3ccccc3n2CCCC2CCNCC2)cc1,0,0,0,0
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OCC(C)F)c12,0,0,0,0
O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1cccc([N+](=O)[O-])c1O,0,0,0,0
CC(=O)NC(C)C#Cc1cnc(Oc2ccc(Oc3ccccn3)cc2)s1,0,0,0,0
Cc1ccc(N2CCN(C3=NC(=O)/C(=C\c4cn[nH]c4-c4ccccc4)S3)CC2)cc1,0,0,0,0
CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3CN3CCc4ccccc43)cc2)cc1,0,0,0,0
CC(=O)Nc1sc2c(c1C(c1ccc(Cl)cc1)N1CCOCC1)CCCC2,1,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Br)cc1,0,0,0,0
Oc1ccc(CCCCc2ccccc2)cc1O,0,0,0,0
CC(C)(C)[C@H](NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)N1C[C@H]2[C@@H]([C@H]1C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O)C2(C)C,0,0,1,0
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(=O)N[C@H](C(N)=O)C(C)C,0,0,1,0
CN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Cl)cn3)cccc12,0,0,0,0
Cc1nn(C)cc1C=NNC(=S)Nc1ccccc1,0,0,0,0
COc1ccc(C2CC(c3ccccc3OC(C)=O)=NN2C(=O)C=Cc2ccccc2)cc1OC,1,0,0,0
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCN(S(N)(=O)=O)CC3)nc21,0,0,0,0
c1cc2c3cnc(Nc4ccc(N5CCC(N6CCOCC6)CC5)nn4)nc3n(C3CCCC3)c2cn1,0,0,0,0
CCCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O,0,0,0,0
O=C(OCC(=O)N1CCN(c2ccc(F)cc2)CC1)c1cnc2ccccc2n1,0,0,0,0
CC(C)C[C@H](NC(=O)N1CCC(C(=O)Nc2ncccn2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,0,0,1,0
Cc1nc(SCC(=O)O)c(C#N)c2c1CCCC2,0,0,0,1
O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2O)CC1,0,0,0,0
NCCNc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
CN1C(=O)c2ccccc2Sc2ccc(NC(=O)Nc3ccccc3F)cc21,1,0,0,0
COc1cccc(/C=N/N2C(=O)CSC2=S)c1O,0,1,0,0
CC(=O)CC1(O)C(=O)Nc2ccccc21,0,0,0,0
CCc1ccc(-c2nn(-c3ccccc3)cc2CSC(=N)N)cc1,0,0,0,0
CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)CSSC[C@@H](C(=O)N[C@@H](Cc3ccc4ccccc4c3)C(N)=O)NC(=O)[C@H](Cc3ccc(O)c(I)c3)NC2=O)cc1,0,0,0,1
Cc1ccc(C(C)C)c(OCCCn2c(=O)oc3ccc(C)cc32)c1,0,0,0,0
CC(C)(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)C1c1cccc[n+]1[O-],0,0,0,0
O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccncc1,1,0,0,0
Fc1ccc(CSc2nnc(-c3ccccn3)o2)cc1,0,1,0,0
CSCC1(CO)CN(Cc2c[nH]c3c(N)ncnc23)C1,0,0,0,0
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2,0,0,0,0
O=C(c1ccc(Oc2ncccc2-c2cccnc2)cc1)c1nc2ncccc2[nH]1,0,0,0,0
O=C1N(Cc2cccc3ccccc23)CCCC12CCN(c1cnc3ccccc3n1)CC2,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O,0,0,0,0
COc1ccc(C)cc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1,1,0,0,0
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3OC)cc2F)CC1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@H]3O)cc2F)cn1,0,0,0,0
Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)c1,0,0,0,0
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1ccccc1,0,0,0,0
CCOC(=O)C1CCN(C(c2cccc(OC)c2)C2Sc3nc(C)nn3C2=O)CC1,1,0,0,0
Cc1ccc(NC(=O)Cc2c(O)c3ccccc3[nH]c2=O)c(C)c1,0,1,0,0
O=c1[nH]n(-c2ccccn2)c(=O)c2ccccc12,0,0,0,0
Cc1ccc(-c2cc(-c3ccco3)c(C#N)c(=O)[nH]2)cc1,0,0,0,0
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2CCCCSc1nc2ccccc2o1,0,0,0,0
CCN(CC)CCOc1ccc2[nH]c(=O)c3c(c2c1)NCCC3,0,0,0,0
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(C#N)cc2)N(C2CCC(O)CC2)C3=O)c(OC)n1,0,0,0,0
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCOCC1,0,0,0,0
COc1ccc(C(=O)C2(C)C=C(c3ccc(OC)cc3)C(C)C2)cc1,0,0,0,0
CC(C)C1(C)SC(=N[C@@H](C)c2ccccc2C(F)(F)F)NC1=O,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccc(Cl)cc2)cc1)C(C)C)C(=O)c1nc2ccccc2o1,0,0,1,0
O=C(OCc1ccccc1)N1c2ccccc2Oc2ccccc21,0,0,0,0
Cc1cc(=O)oc2c(CN3CCN(CCO)CC3)c(O)ccc12,0,0,0,0
CC1=C(C(=O)OCc2ccc(C)cc2)C(c2ccccc2C(F)(F)F)CC(=O)N1,0,0,0,0
CC(C)C[C@H](NC(=O)c1cc2c3c(ccc2[nH]1)CCO3)C(=O)N[C@H](C#N)C[C@@H]1CCCNC1=O,0,0,1,0
C#CCn1c(NN(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1cccc(C#N)c1)CC2,0,0,0,0
O=C(Nc1ccc(Cl)cn1)c1ccc(-c2cc(Cl)ccc2Cl)o1,1,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(C)c3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(F)cc1,0,0,0,0
CCC(=O)N1CCC(c2ccc(OC)cc2)=N1,0,0,0,0
COc1cccc(COc2ccc3ccc(=O)oc3c2)c1,0,1,0,0
CC(NC(=O)c1cc2c(s1)CCCC2)C(C)(C)C,0,0,0,0
Cc1ccc(S(=O)(=O)N(C)C)cc1-n1c(SCC(=O)N(C)C)nc2ccccc2c1=O,0,0,0,0
CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3ccnc4ccccc34)c(=O)c21,0,0,0,0
COc1ccc(Oc2c(Br)cnn(-c3ccc(C)cc3)c2=O)cc1,0,0,0,0
C[C@@]1(c2ccc(-c3cc(F)c4n[nH]c(C5CC5)c4c3)[nH]c2=O)CCCNC1=O,0,0,0,0
O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cc(F)ccc2F)cc1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)s1,0,0,0,0
COc1cccc2cc(CC(=O)c3ccc(C)c(C)c3)c(=O)oc12,0,1,0,0
COc1nn2cc(-c3ccccc3F)nc2s1,0,0,0,0
O=c1ccc(C=Cc2ccccc2)n[nH]1,0,0,0,0
CC1COC2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12,0,0,1,0
O=C1CC(S(=O)(=O)c2ccccc2)N1,0,0,1,0
c1ccc2c(c1)[nH]c1c(N3CCOCC3)ncnc12,0,0,0,0
Cc1cccc2cc(CN(C(=O)c3cccc(Cl)c3)c3ccccc3)c(=O)[nH]c12,0,0,0,0
C[C@H]1COc2ccc(C#C[C@]3(O)CCNC3=O)cc2-c2nc(C(N)=O)sc21,0,0,0,0
Cc1sc2ncnc(N3CCCC(C)C3)c2c1C,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(OC)cc23)C1,0,0,0,0
COc1cccc(NC(=S)N2CCC(Cc3ccccc3)CC2)c1,0,0,0,0
O=C(NCCCN1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1,1,0,0,0
O=C(O)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
COc1ccc(CCN2C(=O)CN(C3CCCCCC3)C(=O)C2c2ccc(Cl)cc2)cc1OC,0,0,0,0
CCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,0,0,0,0
Clc1c[nH]c2ncnc(N3CCC4(CCNCC4)C3)c12,0,0,0,0
Cc1c(OCCCCOc2cccc(F)c2F)ccc(C(=O)CC(C)C)c1O,0,0,0,0
C=CC(=O)Nc1ccc2nc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)[nH]n3c2c1,0,0,0,0
Cc1cccc([C@@H]2C[C@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)n1,0,0,0,0
CC(=O)NCCN(C)c1cccc(OCCCCOc2cccc(N(C)CCNC(C)=O)c2)c1,0,0,0,0
COc1ccc(CNS(=O)(=O)c2ccc(C3CNC(=O)C3)cc2)cc1,0,0,0,0
OC1(c2ccc(F)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(NCCO)nc1)C1CC1,0,0,0,0
CC(C)Oc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1,0,0,0,0
Fc1ccccc1CNc1cc(Cl)cc(Cl)c1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0,0,0
CC1C(Br)C(=O)NC(=O)N1Cc1ccccc1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]cc(C)c6c5)c4)CC3)CC2)CC1,0,0,0,0
CN(C)c1ccc(/C=N/NC(=O)c2ccccc2O)o1,0,1,0,0
CCOc1cc(CNC(=O)CN2CCSc3ccccc32)cc(OCC)c1OCC,1,0,0,0
COc1ccc(Cl)cc1NC(=O)CCCS(=O)(=O)c1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1,1,0,0,0
COc1ccc(-n2ccnc(NCCc3ccc(Cl)cc3)c2=O)cc1OC,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)C(C)C)c2F)n1,0,0,0,0
CS(=O)(=O)Nc1cc(C(O)CNC2CCN(c3ccc(/C=C4\N=C(N)NC4=O)cc3)CC2)ccc1O,0,0,0,0
CC(C)c1ccc(CNCCSc2nnnn2-c2ccccc2)cc1,0,0,0,0
CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3ccccc3)C(c3cccs3)C2)c1,0,0,0,0
CNC(NCCNCc1ccc(CN2CCCCC2)o1)=C(C#N)C#N,0,0,0,0
ON=Cc1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
COc1ccc2c(=O)c(Oc3ccc(C(=O)O)cc3)c(C(F)(F)F)oc2c1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2N(C)C)c1C,0,0,0,0
Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,0,0,0,0
COc1ccc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c(OC)c1OC,1,0,0,0
O=S(=O)(c1ccccc1)c1ccc2oc3c(c2c1)CCNC3,0,0,0,0
COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccccc2)cc1,0,0,0,0
Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ncc[nH]2)CC1,0,0,0,0
COc1ccccc1N1CCN(C(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)CC1,1,0,0,0
Cc1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)c(C)c1,0,0,0,0
COc1cccc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)c1,0,0,0,0
CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN(c2nc3ccccc3s2)CC1,1,0,0,0
COc1ccc(CCNC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cc1OC,1,0,0,0
CS(=O)(=O)c1ccc(-c2oc3ccccc3c2-c2ccc(F)cc2)cc1,0,0,0,0
COc1cc(C=NNc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1OC(=O)c1ccco1,0,0,0,1
Nc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cn1,0,0,0,0
Cc1nc(C)c(C(=O)O)c(-c2cccs2)c1C(=O)O,0,0,0,0
Cc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(C)c3)n2)cn1,0,0,0,0
Cc1cc(C#N)cnc1Nc1cc(NC(C)C)c(C(=O)NC[C@@H](F)C(C)(C)O)cn1,0,0,0,0
CN1N=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C2CC2C1=O,0,0,0,0
O=C(N[C@H](C(=O)N1C[C@H](Cl)[C@H]2OCC(=O)[C@H]21)C1CCCCC1)c1cccc(-n2ccnc2)c1,0,0,0,1
O=C(O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0,0,0
Oc1cccc([C@H]2C[C@@H]3CC[C@H]2N3)c1,0,0,0,0
COc1ccc2sc3c(=O)[nH]c4ccccc4c3c2c1,1,0,0,0
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(N)=O,0,0,1,0
CCOC(=O)c1c2c3c(c(Cl)ccc3[nH]c1=O)C(=O)c1ccccc1-2,0,0,0,0
Cc1ccccc1CN1CCN(Cc2ccccc2)CC1,0,0,0,0
NCCNc1ncnc2ccc(Cl)cc12,0,0,0,0
COCCNC(=O)CSc1nnc2c(Cl)cc(Cl)cn12,0,0,0,0
Cc1ccccc1-c1nc2sc3c(c2c(=O)n1N)CCCC3,0,1,0,0
CC(C)CC(=O)n1sc(NC(=O)c2ccccc2)nc1=O,0,1,0,0
COc1cc2[nH]c3c(c2cc1OC)C(c1cccc(O)c1)CNC3=O,0,0,0,0
O=C(C1CCCN1)N1CCCC1P(=O)(Oc1ccc(NN2CCCC2)cc1)Oc1ccc(NN2CCCC2)cc1,0,0,1,0
COc1ccc(C2(N3CCN(c4ccccc4)CC3)[C@@H]3CC(C)C[C@@H]32)cc1,0,0,0,0
CC1(C)COC2(OC1)C(=O)N(CN1CCOCC1)c1ccccc12,0,0,0,0
CCS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,0,0,0,0
CN(CC(F)F)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CNc1nc(-c2ccc(N(C)C)cc2)nc2ccccc12,0,0,0,0
CCc1ccc2nc(NC(=N)N)nc(C)c2c1,0,0,0,0
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0,0,0
O=C(O)CSc1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
O=C1C=C(NCCNc2c3c(nc4ccccc24)CCCC3)C(=O)c2ccccc21,0,0,0,0
O=C1NC2(CCCCCC2)C(=O)N1CCS(=O)(=O)Oc1ccccc1,0,0,0,0
CCOC(=O)c1c(N)sc2c1CCC(CC)C2,0,0,0,0
Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=S)Nc2ccccc2)cc1C,0,0,0,0
CN(C)CC(C)(C)CNC(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1,1,0,0,0
O=C1CC(Nc2cccc(Br)c2)=NC(=O)N1,0,0,0,0
c1cc2c3c(cnc2[nH]1)CCCN3C1CCCCC1,0,0,0,0
CC(C)(C)c1ccc(NC(=O)c2ccc(=O)[nH]n2)cc1,0,1,0,0
CCCOC1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C,0,0,0,0
O=C1CCN(Cc2ccccc2O)CC1C(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
COc1ccc(C(Nc2ccccn2)c2oc(CO)cc(=O)c2O)cc1,0,0,0,0
CCc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
CCOc1ccc2c(c1)[C@@H](c1cc(OC)c(OC)c(OC)c1OCC(=O)O)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)cc3)cc2N)cc1,0,0,1,0
N=C1C2=C3Sc4ccccc4N3CCCC2=NN1c1cccc(S(=O)(=O)O)c1,0,1,0,0
O=C(c1ccc(Br)cc1)N1CCN(C(=O)c2csc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1,0,0,0,0
N#CCSc1nnc2c(Cl)cc(Cl)cn12,0,0,0,0
CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C)c3n2)cc1,0,0,0,0
COc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)cc1OC,1,0,0,0
CCN(CCO)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCOC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCOc1ccc(CCNC(=O)COC(=O)COc2ccc(Cl)cc2)cc1OCC,1,0,0,0
COc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)cc1,1,0,0,0
CO/N=C1/C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OC)cc2)C1,0,0,0,1
O=C(CCCCc1ccn(Cc2ccc(-n3ccc4ccccc43)cc2)n1)NO,0,0,0,1
CCOc1ccc(OCCN2CCCCC2)cc1,0,0,0,0
Cc1ccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)cc1,0,0,0,0
CC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,0,0,0,0
Cn1cccc1C(=O)OCc1ccc(F)cc1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3c(F)cccc3C(F)(F)F)CC2)C1,0,0,0,0
C/C=C(\C)c1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CCc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)c1,0,0,0,0
CCc1nc2ccccc2c(C(=O)Oc2cccc3cccnc23)c1C,0,1,0,0
CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)c(C)c1,0,0,0,0
O=C1OCc2ccc(OCc3ccc(F)cc3)cc21,0,0,0,0
Cc1cccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC(C)(C)C)C3)c1,0,0,0,0
COc1ccc(-c2cc(OC(=O)c3cccc(C)c3)c3c(C)oc(C)c3c(=O)c2)cc1,0,0,0,0
CC(C)(C)Sc1nc2cc(N3CCN(CCO)CC3)c(Cl)cc2[nH]1,0,0,0,0
COc1ccccc1NC(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
O=C(CCCCCn1cc(-c2cccs2)nn1)NO,0,0,0,1
COc1ccc(/C=C2\SC(c3ccc(C(=O)c4ccccc4)cc3)=NC2=O)cc1,0,0,0,0
CC(C)Oc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0,0,0
Cc1ccc(-c2cc(Cc3ccccn3)c(=O)[nH]n2)cc1,0,0,0,0
Cc1ccc(Cn2c(=O)cc(C(=O)O)c3ccccc32)cc1,0,0,0,0
Cc1ccc(F)c(C2C3C=CCC(C)C3C(=O)N2Cc2ccccc2)c1,0,0,0,0
CCN(CCO)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
N#Cc1ccc(-c2csc(NN=C3CCCC3)n2)cc1,0,0,0,0
O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
Clc1cccc(Cl)c1-c1noc(-c2ccno2)n1,0,0,0,0
CCC(C)c1ccc(NC(=O)c2cccnc2)cc1,0,1,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(Cl)c(Cl)c2)C3)c1C,0,0,1,0
CC(=O)c1sc(NC(=O)c2ccccc2F)nc1C,0,1,0,0
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C(=O)c4ccccc4)CC32)C1=O,0,0,0,0
COc1cc(OC)c(N(C)C(=O)c2cn(C3CCCC3)c(=O)c3c2c2ccccc2n3C)cc1Cl,1,0,0,0
COc1cc2c(C(=O)NCc3ccc4c(c3)OCO4)cn(C)c(=O)c2cc1OC,1,0,0,0
Cc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(CC(C)C)CC4)cc3)cccc2o1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)c3ccccc3)cc2F)cn1,0,0,0,0
S=C(NN=Cc1ccc2ncccc2c1)Nc1cccnc1,0,0,0,0
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)cc3)CC2)cc1,0,0,0,0
CCOc1ccc(Oc2c(C=NNC(N)=O)c(C)nn2-c2ccccc2)cc1,1,0,0,0
O=C1OCc2cc(CCC3CCN(C(=O)Cc4ccc(-n5cnnn5)nc4)CC3)ccc21,0,0,0,0
CCn1c(=O)c(CCC(=O)N2CCOCC2)c(C)c2c(C)nn(-c3ccccc3)c21,1,0,0,0
Cc1cccc(-c2nc(S(=O)(=O)c3ccc(F)cc3)c(NCCCN3CCOCC3)o2)c1,1,0,0,0
Cc1c(Br)cc(C(=O)N2CCCC2)c(C)c1C,1,0,0,0
CC(NC1CCCCC1)C(=O)NN=C(c1ccccc1)c1ccccc1,1,0,0,0
CCOC(=O)C1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC1,0,0,0,0
O=C1SC(SCc2ccccc2)=N/C1=C\c1ccco1,0,0,0,0
COc1cccc(OC)c1C1CC(C)(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1,0,0,0,0
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCN2CCNCC2)cc1,0,0,0,0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(Cl)cc4)n3)c2)CCOCC1,0,0,0,0
c1cc2[nH]cc(CCCN3CCNCC3)c2cc1-n1cnnc1,0,0,0,0
Cc1cc(OC2CN(C(=O)c3nnc(-c4ccccc4)o3)C2)ccc1CN1CC2(CCCO2)C1,0,0,0,0
Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)n1ccnc1)OCO2,0,0,0,0
CCCCC(C(=O)O)C(=O)N(Nc1ccccc1)c1ccccc1,0,0,0,0
CCOC(=O)C1=C(NC(=O)C(c2ccccc2)c2ccccc2)Nc2ccccc2N=C1C,1,0,0,0
Cc1cc2nc(SCC(=O)O)nc(C)c2cc1C,0,0,0,0
CCNC(=O)OC1CCCc2c(-c3ccc(C#N)cc3)cncc21,0,0,0,0
COc1ccc2[nH]c(-c3ccccc3)cc2c1,0,1,0,0
COc1cc(C)c2[nH]ccc2c1C(O)c1nc2ncc(C#N)cc2[nH]1,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1,0,0,0,0
N#CC1(NC(=O)[C@@H]2Cc3ccc(cc3)OC/C=C\CCc3ccccc3C(=O)N2)CC1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2cccnc2)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
CC(C)c1c[nH]c(=O)n(CCCN2CCN(c3ccc(F)cc3OCC(F)(F)F)CC2)c1=O,0,0,0,0
CCCOc1ccc(NC(=O)C2CCCNC2=O)cc1,0,0,0,0
Oc1ccc2c(c1)O[C@H](c1ccc(OCCCN3CCCCC3)cc1)C1=C2CCOc2cc(O)ccc21,0,0,0,0
O=C(O)CCc1ccc(OCc2cc(F)ccc2-c2ccccc2)cc1,0,0,0,0
Cc1ccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(Cl)cc3)C2=O)cc1,1,0,0,0
CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2F)c1-c1ccc(O)cc1,0,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)NC(=S)NNC(=O)c1cc(-c2ccc(F)cc2)n[nH]1,1,1,0,0
CCCS(=O)(=O)N1CCN(Cc2ccccc2OCC)CC1,0,0,0,0
CCC1(CCCCN2CCN(c3ccccc3)CC2)C(=O)N(C)c2ccccc21,0,0,0,0
CCOc1ccc(-c2nc(CSCC(=O)NCCc3ccc(OCC)c(OCC)c3)c(C)o2)cc1,1,0,0,0
CC(=O)Nc1ccc(C2=NNC(=Nc3ccc(S(=O)(=O)N4CCOCC4)cc3)SC2)cc1,0,0,0,0
CC(=O)c1ccc(N2CCOCC2)cc1O,0,0,0,0
COc1ccc(NC2C3NCCCC3C(=O)N2Cc2cccs2)cc1,0,0,0,0
Cc1cccc(Nc2nn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)cc2C(N)=O)n1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1nc(-c2cccc(C)c2)oc1C,0,0,0,0
Cc1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c(C)c1,1,0,0,0
CCOC(=O)C(=O)N(Cc1cccc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
N#C[C@@H]1CCN(C(=O)OC2COC2)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CC(=NC1CC1)c1c(-c2ccccc2)[nH]n(-c2nc3ccccc3s2)c1=O,0,0,0,0
O=C(O)/C=C\C(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1,0,0,0,0
Cc1cnc(NC(=O)c2ccccn2)s1,0,1,0,0
COc1ccccc1C1C(C(=O)c2ccc3c(c2)OCCO3)=C(O)C(=O)N1CCCN(C)C,0,0,0,0
CN(C)C=CC(=O)c1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(N4CCNC(=O)C4)cc23)cc1,0,0,0,0
CC(C)(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1,0,0,0,1
COCCNc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N,0,0,1,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cc(OC)c(OC)c(OC)c1,1,0,0,0
S=C(Nc1ccc2c(c1)OCO2)N1CCCC1,0,0,0,0
CC(C)=CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nccc4ccccc34)c(=O)c21,0,0,0,0
COc1ccc(OC)c(Nc2nc(C3CC3)nc3c2nnn3Cc2ccccc2)c1,0,0,0,0
CCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1,0,0,0,0
C=CC(=O)Nc1cccc(Oc2ncnc(N)c2-c2ccc(Oc3ccccc3)cc2)c1,0,0,1,0
COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCCO3)cc1,1,0,0,0
CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1)C(C)=O,0,0,0,0
CC1=CN2C(=N)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1,1,0,0,0
CCCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,1,0,0,0
CCOC(=O)/C=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4)ccc3N2C1,0,0,0,0
CC(C)C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(C)C)ccc1-2,0,0,0,0
O=C(O)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
N#Cc1ccc(Oc2ccc(S(=O)(=O)Nc3nncs3)cc2C#N)cc1Cl,0,0,0,0
CCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,0,1,0,0
CS(=O)(=O)Nc1cc2c(cc1Cc1ccc(F)cc1F)C(=O)CC2,0,0,0,0
CC(C)(C)OC(=O)N1CCC(Sc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2)CC1,0,0,0,0
CO/N=C/c1ccc(N2CCCC2)c([N+](=O)[O-])c1,0,1,0,0
O=C(O)CCNC1C=CS(=O)(=O)C1,0,0,0,0
Cc1ccc(OCC(=O)O)c(F)c1NCc1cc(-c2cccc(F)c2)ccc1F,0,0,0,0
CCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
COc1ccc(OC)c(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1,0,0,0,0
NC(=O)c1cc(N)ccc1N1CCCC1,0,0,0,0
O=C(O)C[C@]1(CCN2CCCC2)C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1cc(Br)c(O)c(OC)c1,0,0,0,0
COc1cc2c(=O)n(CCN(C)Cc3ccccc3)c3c4cc5c(cc4nnc3c2cc1OC)OCO5,0,0,0,0
CC(C)CN(CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O)CC(C)C,0,0,0,0
CCCCN1C(=O)NC(=O)/C(=C(\C)NC(Cc2c[nH]c3ccccc23)C(=O)OC)C1=O,0,0,0,0
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C(O)/C=C/c1ccccc1,1,0,0,0
COc1ccc(Cn2nc(C(=O)O)c3ccccc3c2=O)cc1F,0,0,0,0
CCC(=O)N1CCN=C1SCc1cccc(F)c1,0,0,0,0
COc1cc(NS(=O)(=O)c2ccccc2)ccc1-c1cncc2ccccc12,0,0,0,0
O=C(O)CCCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0,0,0,0
O=C1CC(N2CC=C(c3ccc(F)cc3)CC2)C(=O)N1c1ccc(F)cc1,0,0,0,0
NNC(=O)c1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
O=C(Nc1ccc(F)c(Cl)c1)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F,1,1,0,0
Cc1ccc(C(=O)Nc2onc3c2CCCC3)cc1,0,1,0,0
Cc1nc2ccc(N=NC3=C(O)CC(C)(C)CC3=O)cc2s1,0,1,0,0
CCc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1,0,1,0,0
CCN(Cc1ccc(-c2ccnc3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)cc1)C1CCCCC1,0,0,0,0
Cc1ccc(-c2nnc(SCC#CCOC(=O)c3ccco3)o2)cc1,0,1,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(Cl)c(Cl)c1,0,0,0,0
Cc1ccccc1Nc1nc(N)nc(CSCc2c(C)noc2C)n1,0,0,0,0
CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,1,0,0,0
COc1ccc(C2NC(=O)C(C#N)C(=S)N2c2cccc(C)c2)cc1OC,0,0,0,0
Cc1cc(C(=O)OCC(=O)c2cccs2)ccc1[N+](=O)[O-],0,0,0,0
CNc1nc(C)c2cc(-c3ccc(O)c(OC)c3)c(=O)n(C3CCCC3)c2n1,0,0,0,0
CC(=O)Nc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2(=O)=O,0,0,0,1
O=C1CN(C(=O)c2cc(NC(=O)c3cc(-c4ccc(F)cn4)c(Cl)cc3Cl)n(-c3ccccc3)n2)CCN1,0,0,0,0
COc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)c(OC)c1OC,0,0,0,0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCCC2OC(=O)NC2=O)cn1,0,0,0,0
CC1(CO)CC2C(O)C(=O)C3(CO)CC3(C)C2C1,0,0,0,0
O=C1CSC(=S)N1N=Cc1cccc(C(F)(F)F)c1,0,0,0,0
CCOC(=O)C1CCN(C(c2ccccc2OC)c2c(O)cc(C)n(CCOC)c2=O)CC1,0,0,0,0
O=C1CCN(Cc2ccccc2[N+](=O)[O-])CC1C(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccccc1Cl,0,0,0,0
c1ccc(C[N+]23CCC(CC2)C(C(c2ccccc2)c2ccccc2)C3)cc1,0,0,0,0
COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5cccc(C(F)(F)F)c5)CC4)c23)cc1,0,0,0,0
COCCn1c(C)cc(O)c(C(c2ccc(Cl)cc2)N2CCCCC2)c1=O,0,0,0,0
CN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,0,0,0,0
Nc1c(Cl)ncnc1N1CCOCC1,1,0,0,0
CCN(CC)c1nc2ccsc2c(=O)o1,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(OC(F)F)c2oc3c(c2c1)CNCC3,0,0,0,0
NS(=O)(=O)OC[C@@H]1C[C@@H](Cc2cc(N[C@H]3CCc4ccccc43)ncn2)C[C@@H]1O,0,0,0,0
CCCCNC(=O)C(c1ccc(OCC(=O)OC)c(C(=O)OC)c1)N(CCc1ccccn1)C(=O)CCCCCN1C(=O)NC(c2ccc(-c3ccccc3)cc2)C(C(=O)OCc2ccccc2)=C1C,1,0,0,0
Cc1c(NC(=O)c2cccs2)cccc1-c1nc2ccccc2s1,0,1,0,0
NC(N)=NCCC[C@@H](N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)CSCc2cnn(-c3ccccc3)c2-n2cccc2)CC1,1,0,0,0
COc1cc(C)c(CNc2cc(C)cc(C)c2)cc1C,0,0,0,0
Cn1nc(-c2ccc(F)cc2)cc1C1(c2ccccc2)CCN(CCc2ccccc2)CC1,0,0,0,0
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1cccc(C)c1,0,1,0,0
CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12,0,0,1,0
c1ccc(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)cc1,0,0,0,0
CNc1nc(-c2ccco2)c2sccc2n1,0,0,0,0
c1ccc2c(c1)nc(N1CCOCC1)c1nnnn12,0,0,0,0
c1ccc2nc3c(nc2c1)CCCC3,0,0,0,0
CSCCCN1CCCC(CO)(Cc2ccccc2F)C1,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(CCF)CC2,0,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1ccc(C#N)cc1,0,0,0,0
CCOC(=O)Cc1nn[nH]n1,0,0,0,0
Cc1ncsc1CCOc1ccc(/C=C2\SC(=O)NC2=O)cc1,0,0,0,0
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C[C@H]1CCCN(C(=N)N)C1)C(=O)c1nc2ccccc2s1,0,0,0,0
CCCCCCCCCCCCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCC(F)(F)CC4)nc3c2)cnc1Cl)c1ccc(F)cc1,0,0,0,0
O=C(O)C=Cc1ccc2c(-c3ccccc3)onc2c1,1,0,0,0
CC(C)(C)CC(C)(C)NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2C)c1,0,0,0,0
CC(=O)NC1C(=O)N(C)c2ccccc21,0,0,0,0
CCN(CC(=O)NC(C)C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0,0,0
CC1(C)CCC(C)(C)c2c1ccc(O)c2Cc1c(O)ccc2c1C(C)(C)CCC2(C)C,0,0,0,0
CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2C#N)s1,1,0,0,0
CC(=O)N(Cc1ccccc1OC(C)C)c1ccc(Cl)cc1Oc1ccccc1,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ccn[nH]4)nc3)NC(=O)NC1=O)C2,0,0,0,0
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)c(C)o1,0,0,0,0
COC(=O)c1sc2nc(SCc3cccc(F)c3)n(N)c(=O)c2c1C,0,0,0,0
CCOC(=O)c1cc(-c2ccncc2)nc2c1c(C)nn2-c1ccccn1,1,0,0,0
NS(=O)(=O)c1ccc(N2C(=O)CC(c3ccccc3)C2=O)c(Cl)c1,0,0,0,0
COCCCNC(=O)CSc1nc2sc(C(=O)OC)c(C)c2c(=O)n1N,0,0,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3C)CC2)cc1,0,0,1,0
Cc1cc2n(n1)C(c1ccc(O)cc1)Nc1ccccc1-2,0,0,0,0
Cn1ccnc1SCc1cccc([N+](=O)[O-])c1,0,0,0,0
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC)ccc2o1,0,0,0,0
CCn1nc(C(=O)OC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)c2ccccc2c1=O,1,0,0,0
Cc1cc(OC(=O)C2CC2)c([N+](=O)[O-])c(=O)[nH]1,0,0,0,0
COc1cc2c(cc1OC)C(CCc1ccc(Cl)cc1)N(C)CC2,0,0,0,0
CCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N,0,0,1,0
CN(c1ccccc1)c1nc2ccsc2c(=O)s1,0,1,0,0
CCOC(=O)Cc1csc(NC(=O)C(C)(C)C)n1,0,0,0,0
COCC(C)Oc1ncccc1Nc1ncnc2sc(C(N)=O)c(C)c12,0,0,0,0
O=C(O)CC1CCCC1Cc1ccc(OCc2ccc3ccccc3n2)cc1,0,0,0,0
CN1CCC(c2cc3c(-c4cc(NCC5CCOCC5)ccc4F)ccnc3[nH]2)CC1,0,0,0,0
COc1ccc(F)c(-c2ccc(COc3ccc4c(c3F)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1,0,0,0,0
CC(C)c1ccc(/C=C2\SC(=S)N(CC(=O)NCCCN3CCOCC3)C2=O)cc1,0,1,0,0
Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCNCC3)c2c1,0,0,0,1
CC(C)CCCC(C)[C@H]1CCC2C3C(CC[C@@]21C)[C@@]1(C)CCC(=O)N(C)C1C[C@@H]3C,0,0,0,0
CC(C)c1ccc(/C=C/c2nc(NCCN(C)C)c3ccccc3n2)cc1,0,0,1,0
COc1ccc(NC(=O)CN(C)C(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)cc1,1,0,0,0
CCSC1=C(c2ccc(O)cc2)C(=O)c2cc(O)cc(O)c21,0,0,0,0
COc1cccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N(Cc3ccccc3)C2=O)c1,0,0,0,0
CN(Cc1ccccc1)Cc1ccc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cc1,0,0,0,0
CC(C)(C)c1ccc(CSc2cnn(C(C)(C)C)c(=O)c2Cl)cc1,0,0,0,1
CCn1cc(C(=O)N2CCCc3ccccc32)c2cc(OC)c(OC)cc2c1=O,1,0,0,0
CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1,1,0,0,0
Cc1ccc2c(c1)Oc1ccccc1C(N1CCN(C)CC1)=N2,0,0,0,0
OCc1cc(F)cc(C2=NCCCC2)c1,0,0,0,0
C=CCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cccnc1,0,0,0,0
Clc1ccc(-n2nnc(-c3cccnc3Cl)n2)cn1,0,1,0,0
CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(NC4CCCC4)nc(Cl)nc32)[C@H](O)[C@@H]1O,0,0,0,0
CCc1nc(SCC(=O)O)c(C#N)c2c1CCCC2,0,0,0,0
COc1ccc(Nc2nc(-c3cccc(CO)c3)nc3scnc23)cc1OC,0,0,0,0
Nc1nc(-c2ccccn2)c(-c2ccnc3ccccc23)s1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)CO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nncc2c1-c1ccccc1F,0,0,0,0
Cc1cc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)ccc1Br,0,0,0,0
O=c1c2ccccc2c(C=NCc2ccccn2)c(O)n1-c1ccccc1,0,0,0,0
CCOC(=O)CSc1nnc(-c2ccc3ncccc3c2)n1C,0,0,0,0
Fc1cccc(Nc2nc3ccccc3n3cnnc23)c1,0,0,0,0
COCCn1c(C)cc(C2=NNC(=Nc3ccc(F)cc3)SC2)c1C,0,1,0,0
Cc1c(C(O)(c2ccc(Cl)s2)C(F)(F)F)ccc(C#N)c1C(F)(F)F,0,0,0,0
NS(=O)(=O)c1ccc(F)cc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1,0,0,0,0
Nc1c(C(=O)c2ccc3ncccc3c2)cnn1-c1cc(O)ccc1Cl,0,0,0,1
NC(=O)C12CC3CC(C1)C(OC(=O)N1CC[C@@H](Nc4nnc(C(F)(F)F)s4)C1)C(C3)C2,0,0,0,0
CC1(C)C(=O)[C@H](C/C=C\CCCC(=O)O)[C@@H](/C=C/C(O)CCc2ccccc2)[C@@H]1O,0,0,0,0
COc1cc2cc(NCc3ccccc3)cnc2cc1OC,0,0,0,0
CC1(c2ccc(Cn3c(C(=O)O)cc4ncc(Cl)cc43)cc2)CCOCC1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCc3ccc(S(N)(=O)=O)cc3)c2)on1,0,0,0,0
CCOC(=O)c1nc(N)sc1C(=O)OCC,0,0,0,0
O=S(=O)(C1CCC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1,0,0,0,0
COC(=O)C1=C(N)N(c2ccccc2C(F)(F)F)C2=C(C(=O)CCC2)C1c1ccc2c(c1)OCO2,0,0,0,0
O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2nc(Cl)nc3c2COCC3)cc1,0,0,0,0
O=C(Nc1ccc([N+](=O)[O-])cc1)n1ccnc1,0,0,1,0
CC(C)C(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1,0,0,0,0
Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C(F)(F)F)cc1,0,0,0,0
O=C1N2c3ccccc3CCc3cccc(c32)C1(O)C(F)(F)F,0,0,0,0
CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1Cl,1,0,0,0
CN[C@@H](C)C(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3ccc(OC)c(Br)c3)c2C(=O)Nc2cc(OC)ccc2OC)C1,1,0,0,0
Cc1cc(N/N=C/c2cccc(F)c2)nc(NCc2ccccc2)n1,0,1,0,0
CCN(Cc1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
CC1(C)CCC2=C(O1)c1ccc(C#N)cc1C(=O)C2=O,0,0,1,0
CCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
C[C@@H]1CC[C@H](C)N1c1ccc(-c2c[nH]c3ccccc23)nn1,0,0,0,0
Fc1cc(Br)ccc1Nc1c2c(nc3nc(-c4cccs4)nn13)CCCC2,0,0,0,0
O=C(C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1)N1CCN(C2CCCCC2)CC1,1,0,0,0
CCOC(=O)C(=O)Nc1ncc(Cl)s1,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(F)F)cc2Cl)cc1,0,0,0,0
CCOc1ccc(C2CC(=O)Nc3c2c(=O)nc(SCc2ccccc2C)n3C)cc1OC,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(CS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
COCCN=c1scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1O,0,1,0,0
CCNc1ncc2nc(-c3cccc(C#N)c3)c(=O)n(C)c2n1,0,0,0,0
CCOc1cc(=O)n(C)cc1-c1cc(N(CC2CC2)S(=O)(=O)Cc2ccccc2)ccc1Oc1ccc(F)cc1F,0,0,0,0
Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12,0,0,0,0
CS(=O)(=O)NC(=O)C1=C(c2ccn(CC3CC3)n2)C[C@](c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)NC1=O,0,0,0,0
O=C(Nc1nccs1)c1ccc(-c2ccc(F)c(Cl)c2)o1,1,1,0,0
O=c1[nH]c(Nc2ccncc2)nc(N[C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c1-c1nc2ccccc2s1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1,0,0,0,0
COc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1,0,0,0,0
COc1cc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc(OC)c1OC,0,0,0,0
CN(C)c1ncc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1Cl,0,0,0,0
CSc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(C)C)s1,0,0,0,0
C[C@@H]1CN(CCCN(c2ccccc2)c2ccccc2)C[C@@H](C)N1,0,0,0,0
CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)cnn23)c1N,0,0,0,0
COc1ccc(OC)c(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)c1,1,0,0,0
O=C(O)CC1SC(=NN=Cc2ccccc2)N(c2ccc(O)cc2)C1=O,0,0,0,0
Nc1c(Cl)cc(C(=O)N(C2CCC(C(=O)NCC(=O)O)CC2)C2CC2)cc1Cl,0,0,0,0
CCOC(=O)C1Cc2ccccc2C(=O)O1,0,0,0,0
O=C(Cn1c(=O)c2cccn2c2ccccc21)NCCc1ccccc1,1,0,0,0
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2cc(-c3ncccn3)ccc2s1,0,0,0,0
CCCCC(CCC(=O)O)(C(=O)OCC)c1csc(N)n1,0,0,0,0
Cc1ccc(OCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)c(Br)c1,1,0,0,0
CCOC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2,0,0,0,0
c1ccc(COC[C@@H]2CCN(CCc3c[nH]c4ccc(-n5cnnc5)cc34)C2)cc1,0,0,0,0
CC(C)CC1NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)C1=O,1,0,0,0
COc1ccc(-c2csc(N3CCN(c4cc(C)nc5ccccc45)CC3)n2)cc1OC,1,0,0,0
CCC1(c2ccccc2)C(=O)N(COC)C(=O)N(COC)C1=O,0,0,0,0
O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1cc2ccccc2o1,1,0,0,0
CN(C)C(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(C)C2=O,0,0,0,0
CCOC(=O)CCCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OCC)C(=O)OCC)cc1,0,0,0,0
O=S(=O)(c1ccc(F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
Cc1cc(C)nc(N2CC3CCN(C(=O)c4c(F)cccc4-c4ncccn4)CC32)n1,0,0,0,0
O=c1c2ccc([N+](=O)[O-])cc2ncn1CCOc1ccc(Cl)cc1,0,0,0,0
COc1ccccc1OCCCn1c(=O)oc2ccc(C)cc21,1,0,0,0
COc1cc(S(=O)(=O)c2cccs2)cc2c3c(oc12)CCNC3,0,0,0,0
O=C1CCC(C(=O)N2CCC(CCO)CC2)CN1Cc1ccc(Cl)cc1,1,0,0,0
O=C(Nc1ccc(Cl)cc1)C1C2CCCCC21,0,1,0,0
CCc1ccc(-n2nc(C)c3c(C(=O)Nc4cccc(C(F)(F)F)c4)cc(C)nc32)cc1,1,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(c3cc(F)cc(F)c3)CCc3ccccc32)cc1,0,0,0,0
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2c(Cl)cccc2c1=O,0,0,0,0
Cc1cccc2cc(Cn3nc(-c4cc(O)cc(F)c4)c4c(N)ncnc43)n(C)c(=O)c12,0,0,0,0
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)N1CCCC(C(=O)N2CCC(Cc3ccccc3)CC2)C1,1,0,0,0
CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
CC(C)CCN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1CCO,0,0,0,0
O=c1[nH]nc2cc(CN3CCN(CCO)CC3)c3ccc(-c4ccc[nH]4)cc3n12,0,0,0,0
CCN(CC)C(=O)CSc1nc(-c2ccccc2F)nc2c1Cc1c(CO)cnc(C)c1O2,1,0,0,0
CC(=O)N1c2cc(COc3ccccc3)nn2CCC1C,0,0,0,0
COc1ccc(-c2nc3cnc(OC)nc3n(C)c2=O)cc1,0,0,0,0
O=C(O)COc1ccc(CCN(C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1,0,0,0,0
Cc1cnc(Nc2ccc(N(C)C)cc2)nc1Nc1cc(C2CC2)[nH]n1,0,0,0,0
Cc1ccccc1CN1C(=O)c2ccccc2Sc2ccc(C(=O)NCc3ccccc3)cc21,1,0,0,0
CCOc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(c2Cl)SCC3)cc1,0,0,0,0
COCC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1C,0,0,0,0
COc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,0,0,0,0
O=C1c2cccc3n[nH]c(c23)CN1CC1CN2CCC1CC2,0,0,0,0
CCCSc1nc(C)c2cc(C)cc(C)c2n1,0,0,0,0
COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2)CC1,0,0,0,0
C[C@@H]1CN(S(=O)(=O)c2cccc3c(N(C)C)cccc23)[C@@H](C)CN1C[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1,0,0,0,0
COCCCNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2,0,0,0,0
Cc1ccc(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)cc1Cl,1,0,0,0
COc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CCC(Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1,0,0,0,0
CC(=Nc1ccc(S(N)(=O)=O)cc1)c1c(O)[nH]c2ccccc12,0,1,0,0
c1ccc(Nc2nc3ccccc3n3cnnc23)cc1,0,0,0,0
O=C1N(c2ccccc2)C(c2cccnc2)N2CCCN12,0,0,0,0
Cc1nccc(-c2ccc(C(=O)N3CCN(C)CC3)nc2)c1C#Cc1ccc(N)nc1,0,0,0,0
CN1CCc2c(n(C)c3cc(-n4ccc(-c5ccc(F)cn5)cc4=O)ccc23)C1,0,0,0,0
Cc1nc(C)c(-c2ccc(SCc3ccc(Cl)cc3)nn2)s1,1,0,0,0
O=C(O)CC(c1cccnc1)n1ccc2c(CCc3ccc4c(n3)NCCC4)cccc21,0,0,0,0
CCCOP(=O)(OCCC)C(Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1,0,0,0,0
CCNCCN1C(=O)Nc2ccccc2C1c1ccccc1,0,0,0,0
CCC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1,0,0,0,0
CCCC(=O)Nc1[nH]nc2ncc(-c3cccc(F)c3)cc12,0,0,0,0
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2c(Cl)cccc2Cl)n(C)c1=O,0,0,0,0
Cc1ccc(-c2noc(-c3ccno3)n2)cc1,0,0,0,0
COc1ccc2ccc(S(=O)(=O)N(Cc3ccccn3)[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2c1,0,0,0,0
CNC(=O)CCc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1OC(F)(F)F,0,0,0,0
COc1cccc(Sc2c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c3cc(OC)c(OCc4ccccc4)cc23)c1,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCCF)ncc23)ccn1,0,0,0,0
COc1ccc(CCNc2nc(-c3ccccn3)cs2)cc1OC,0,0,0,0
NC1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccc2)C1,0,0,0,0
Cc1cc2n(n1)C(c1ccccc1Cl)Nc1ccccc1-2,0,0,0,0
C[S+]([O-])c1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)c3ccc(Br)cc3)n2C)cc1Cl,1,0,0,0
CC(=O)Nc1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1,0,0,0,0
Fc1ccc(OC2CCN(c3nc4ccncc4nc3NC3CCC3)CC2)c(F)c1,0,0,0,0
CC(=O)Nc1c(O)[nH]c(SCc2ccccc2C#N)nc1=O,0,0,0,0
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc(-c4csnn4)cc3)n2)c(=O)c1=O,0,0,0,0
CC(=O)Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1,0,1,0,0
CCS(=O)(=O)c1ccc2c(c1)nc(CC1CC1)n2CC1CC1,0,0,0,0
Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(C)n1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1,0,0,0,0
COc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])cc1,0,0,0,0
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(O)c1,0,0,0,0
Cc1cc(-c2ccc3c(c2)CCN(CCCSc2nnc(-c4ccc(F)c(F)c4)n2C)CC3)n(C)n1,0,0,0,0
CCOC(=O)C1=C(COC(=O)COc2ccc(C(C)=O)cc2)NC(=O)NC1C,0,0,0,0
Cc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,0,0,0,0
O=C1OCc2cc(NC(=O)C3CCCCC3)ccc21,0,0,0,0
O=C(O)c1ccc(/C=N/NC(=S)NCc2ccccc2)cc1,0,0,0,0
COCCN(C)c1ccc(-c2nc3ncnc(N)c3c(-c3cc(Br)cs3)c2-c2ccc(OC)c(OC)c2)cc1,0,0,0,0
O=C1CN(C(=O)COc2ccc(Br)cc2F)c2ccccc2N1,0,0,0,0
Cc1nc(-c2cn3c(n2)-c2ccc(OC4(C)CCN(C(C)C)C4)cc2OCC3)n(C(C)C)n1,0,0,0,0
COc1ccc(Cn2c(=O)c3c(nc(N4CCC[C@@H](N)C4)n3Cc3ccccc3Cl)n(C)c2=O)cc1C(=O)O,0,0,0,0
CS(=O)(=O)Nc1cc2c(cc1Sc1ncc(Cl)cc1Cl)C(=O)CC2,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2ccc(Br)cc2)c[nH]1,0,0,0,0
CC(C)CC(=O)Oc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC(=O)CC(C)C)c(OC(=O)CC(C)C)c2)cc1OC(=O)CC(C)C,0,0,0,0
O=C1NC(=O)c2cc(Nc3ccccc3)c(Nc3ccccc3)cc21,1,0,0,0
CC(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1,0,0,0,0
Cc1ccc(-n2[nH]c(C)c(C=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2=O)cc1,0,0,0,0
O=[N+]([O-])c1ccc(-c2csc(N3CCCCCC3)n2)cc1,0,1,0,0
CN(C)c1ccc(CNc2nnc[nH]2)cc1,0,0,0,0
Nc1nc(-c2ccco2)c2sccc2n1,0,0,0,0
N#Cc1ccc(Cn2c(-c3ccc(F)cc3)noc2=O)cc1,0,0,0,0
Cc1cc(Nc2cc(-n3cccn3)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1,0,0,0,0
COc1ccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)cc1,0,0,0,0
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2c1c(=O)n(Cc1cnc3ccccc3n1)c(=O)n2C,0,0,0,0
COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1,1,0,0,0
COc1ccccc1C(CNC(=O)c1oc2ccccc2c1C)N1CCCC1,0,1,0,0
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OC(=O)C(C)(CO)CO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,0,0,0,0
COc1ccc(/C=C/C(=O)NCC2COc3ccccc3O2)c(OC)c1,0,1,0,0
COC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,0,0,0,0
CCN1CCN(c2cc(-c3cc4ncn(C)c(=O)c4c(NC(C)C)n3)ccc2S(C)(=O)=O)CC1,0,0,0,0
Cc1ccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)c(F)c1,0,0,0,0
CCCNC(=O)C(/C=N/c1ccc(OCC)cc1)=C(\O)c1ccc(Cl)cc1,0,0,0,1
COc1ccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)cc1,0,0,0,0
COc1ccc(-c2nc(N3CCCC3)[nH]c(=O)c2C#N)cc1,0,0,0,0
Cc1c([C@@H](O)CN2CCC3(CCCN(C4=CC(=O)OC4)C3)CC2)ccc2c1COC2=O,0,0,0,0
CN1C(=O)C=CC1=O,0,0,1,0
Cc1c(C(=O)N2CCN(c3ccccn3)CC2)sc2ncnc(N3CCN(c4ccccc4)CC3)c12,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1,0,0,0,0
CCC(C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1)c1ccccc1,1,0,0,0
CCn1nc(C(F)(F)F)cc1-c1ccc(Oc2ccc(S(=O)(=O)Nc3ncccn3)cc2C#N)cc1,0,0,0,0
CCOC1=CC(=CCc2cc(C(=O)O)c3ccccc3n2)C=CC1=O,0,0,0,0
CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(F)c3)[C@H]2C)cn1,0,0,0,0
CS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,0,0,0,0
CC(C)c1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1,0,0,0,0
COc1ccc(NC(=O)CSc2nc(=O)c3c(C(F)(F)F)cc(-c4cccs4)nc3[nH]2)c(OC)c1,1,0,0,0
O=C(O)C1CCN(C(=O)c2ccco2)CC1,0,0,0,0
Cc1ccc(-c2c3n(c(=O)c4ncccc24)C[C@@H](C)CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1,0,0,0,0
CC1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1,0,0,0,0
CNC(=O)c1cc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(C(C)=O)c1,0,0,0,0
CCCCCCN1CC(=O)N2Cc3[nH]c4ccccc4c3CC2C1=O,0,0,0,0
CCOC(=O)c1sc2c(c1C)c(=O)c(C(=O)OCC)cn2CC,0,0,0,0
Cc1nn(C)c(C)c1N(CC(F)(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CCCN(C)CC2)cc1Cl,0,0,0,0
CC(=O)O[C@@]12CO[C@@H]1C[C@H](O)[C@@]1(C)C(=O)[C@H](O)C3=C(C)[C@@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c4ccccc4)C[C@@](O)([C@@H](OC(=O)c4ccccc4)[C@H]21)C3(C)C,0,0,0,0
CN(C)CC(O)COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
CC(Sc1nnc(Cc2ccc3c(c2)OCO3)o1)C(N)=O,0,0,0,0
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2)c1,1,0,0,0
c1ccc(-c2ccc(SCc3cccnc3)nn2)nc1,0,0,0,0
CCSc1nc(-c2ccccc2OC)nc2c1Cc1c(CO)cnc(C)c1O2,0,0,0,0
COc1ccc(N2CCN(c3ccc(N4C(=O)COCC4=O)cc3[N+](=O)[O-])CC2)cc1,0,0,0,0
Cn1c(=O)c2[nH]c(-c3ccccc3)c(O)c2n(C)c1=O,0,0,0,0
COc1ccc(Cc2nc3ccc(C(=O)NCc4ccc(OC)cc4OC)cc3o2)cc1,1,0,0,0
O=C(c1ccccc1Br)[C-](C(=S)NCc1ccco1)[n+]1ccccc1,0,0,0,0
O=C(O)CCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1,0,0,0,0
CCN(CC)CCNC(=S)NC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1,1,0,0,0
COc1ccc(-c2cn3nc(OC)sc3n2)cc1,0,0,0,0
CC1=C(C(=O)N(C)C)C(c2cccc(Cl)c2)NC(=O)N1,0,0,0,0
Cc1nc2ccccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1,1,0,0,0
c1ccc2sc(-c3n[nH]c4ccc(-c5nn[nH]n5)cc34)cc2c1,0,0,0,0
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C,1,0,1,0
CCN(C)c1ncc(-c2ccccc2C)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)n1,0,0,0,0
CNC(=O)C1CN(C(=O)c2cccc(S(=O)(=O)N3c4ccccc4CC3C)c2)c2ccccc2O1,1,0,0,0
O=C(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1,0,0,0,0
CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2ccco2)cc1,1,0,0,0
CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1CCCO,0,0,0,0
CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1,0,0,0,0
COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(OC)c1O,0,0,0,0
CCc1cc(OCCc2nc(-c3ccc([N+](=O)[O-])cc3)oc2C)ncc1CCC(=O)O,0,0,0,0
CCCC(Cn1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21)C(=O)O,0,0,0,0
Cc1cc(C)cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
COc1ccccc1CN1CCC2(CCCN(C(=O)Oc3ccccc3)C2)C1,0,0,0,0
O=C(c1ccc(-n2cnnn2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
CN1CCN(C(=O)c2cc(NC(=O)c3cc(-c4ccccn4)c(F)cc3Cl)n(-c3ccccc3)n2)CC1=O,0,0,0,0
Cc1ccc(NC(=O)Nc2cccnc2)cc1,0,1,0,0
CO[C@H]1C(=O)N2C(C(=O)O)=C(CF)CS(=O)(=O)C12,0,0,0,0
COc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cncnc32)cc1,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Cl)cc1,0,0,0,0
COCCNC(=O)C1CSC2c3ccccc3C(=O)N12,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NC1CCOC1,0,0,0,0
O=C(NN=C1NC(=O)C(CO)(CO)S1)c1ccccc1,0,0,0,0
COc1ccc(Cl)cc1C(=O)Nn1c(-c2cccs2)nc2ccccc2c1=O,1,0,0,0
FC(F)(F)c1ccc(-c2noc(-c3ccccc3)c2I)cc1,1,0,0,0
CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](c2ccccc2)NC1=O,0,0,0,0
COc1ccccc1[As](=O)(O)CC(O)COc1ccc(Cl)cc1Cl,0,0,0,0
CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2CCCC2)cc1,0,0,0,1
O=c1cc(OCc2ccc(F)cc2)ccn1-c1ccc(CN2CCCC2)cc1,0,0,0,0
Cc1cc(C)nc(/N=C(\N)C2=C(O)CC(C)(C)CC2=O)n1,0,0,0,0
CCN(c1ccccc1)c1nc2ccsc2c(=O)s1,0,0,0,0
CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccc(C)cc4)o3)c2)c1,1,0,0,0
Cc1ccn2c(c1)nc(=S)n2C(=O)c1ccccc1,0,1,0,0
CCCCN(CC)CCCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O,0,0,0,0
CCOC(=O)c1sc(N=CN(C)C)nc1C,0,0,0,0
COc1ccc2[nH]c(-c3ccc(C)cc3)cc(=O)c2c1,0,1,0,0
O=C(O)c1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1,0,0,0,0
N#Cc1c(-c2ccc(Cl)cc2Cl)nc2n(c1=O)CCS2,1,0,0,0
Cc1c(C(=O)c2ccccc2)oc2ccc3ccccc3c12,0,1,0,0
c1cncc(N2CCC3(C2)C2CCN3CC2)c1,0,0,0,1
c1ccc2c(c1)Cc1ccccc1-2,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CC1,0,0,0,0
NC(=O)c1ccc(NCc2ccc(F)c(F)c2)c2cccnc12,0,0,0,0
c1ccc(N=NC2=NN(c3ccccc3)CS2)cc1,0,0,0,0
CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1CCCN(C)C,0,0,0,0
O=c1[nH]c2nc(SCc3ccccc3)ncc2c(=O)n1-c1ccc(Cl)cc1,1,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(C#N)[nH]c1Cl,0,0,0,0
C#CCOCc1cc(Cl)c(Cc2ccc(CC)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
CC(=O)Nc1nc(C(F)(F)F)cs1,0,0,0,0
CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2ccc(N=C(N)N)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c(C(C)C)c1,0,0,0,0
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
O=S(=O)(NCCCO)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCCO)ccc1-2,0,0,0,0
Cc1c(NC(=O)COC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C,1,0,0,0
Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2)cc1,0,0,0,0
Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H]3COC[C@@H]3O)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,0,0,0,0
O=C1c2ccccc2NC(c2ccccn2)N1NS(=O)(=O)c1ccccc1,0,0,0,0
CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OC)ncc1C1CC1,0,0,0,0
O=[N+]([O-])c1ccc(N2CCCCC2)nc1,0,0,0,0
CCN(CC)CCc1c[nH]c2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc12,0,0,0,0
Cn1cc(C2=C(c3cccs3)C(=O)NC2=O)c2ccccc21,0,0,0,0
COc1ccc(CCC(=O)OCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1,1,0,0,0
O=C(c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,0,0,0,0
CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(O)c2ccccc23)cc1,1,0,0,0
COc1cc(-c2ccc3ncc(S(C)(=O)=O)c(NC4CCC(CN(C)C)CC4)c3c2)cc(Cl)c1O,0,0,0,0
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCCCC3)ccc21)NC1CCCCCCC1,1,0,0,0
O=S(=O)(N/N=C\C=C\c1ccccc1)c1ccc(Cl)cc1,0,0,0,0
COc1ccc(C2=NN(c3nc(C(=O)O)cs3)C(O)(C(F)(F)F)C2)c(OC)c1,0,1,0,0
C[C@@H]1OC(=O)[C@H]2C[C@H]3CCCC[C@@H]3/C(=C/CC3CCC(C)(C)N3C)[C@@H]12,0,0,0,0
CC(C)C(NC(=O)Cn1ccc2c(=O)[nH]c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,0,0,0,0
Nn1c(=S)[nH]c2ccc(F)cc2c1=O,0,0,0,0
CCOc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1,0,0,0,0
O=C(c1nccs1)c1nc(C(F)(F)F)nc2ccsc12,0,0,0,0
CC(C)CNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
c1ccc(Cc2ccc(CCCN3CCCC3)cc2)cc1,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccc(Cl)cc3)C2=O)cc(OC)c1,0,0,0,0
O=C1CC(C(=O)O)(c2ccccc2)c2cccc(F)c21,0,0,0,0
COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC,0,0,0,0
CCCC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0,0,0,0
C#CC(CO)N(CCN(Cc1ccccc1)C(C#C)CO)Cc1ccccc1,0,0,0,0
CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)C=C(C)C)C1,1,1,0,0
O=C1OC(=O)c2cc([N+](=O)[O-])ccc21,0,0,0,0
Cc1cc(N2CC3CN(C(=O)c4ccccc4-c4ncn[nH]4)CC3C2)nc(C(F)(F)F)n1,0,0,0,0
CN(C)CC(O)COc1ccc(Nc2cc(Nc3cc(Cl)ccc3Cl)ncn2)cc1,0,0,0,0
Clc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c12,0,0,0,0
O=C(Nc1noc2ccccc12)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@H]2C1,0,0,1,0
FC(F)(F)c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1,0,0,0,0
CCCC(CCC(=O)OC)(C(=O)OCC)c1csc(N)n1,0,0,0,0
CCC(CO)Oc1cc(NCc2ccc(OC)cc2)c2ncn(C(C)C)c2c1,0,0,0,0
CCOC(=O)c1c(NC(=O)CNCCOC)sc2c1CCCC2,1,0,0,0
CC1(CCC(=O)N2CCCC(Nc3ccc(F)cc3)C2)CC1,1,0,0,0
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)cc32)cc1,0,0,0,0
CCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(C)c2n1,0,0,0,0
CCOC(=O)Cc1nnc(NC(=O)C(CC)Sc2nnc3c4ccccc4n(C)c3n2)s1,1,0,0,0
Cc1[nH]cnc1CN1CCN(c2cccc(Cl)c2)C1=O,0,0,0,0
CCN(CCCc1ccccc1)CCCc1ccccc1,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(O)c1ccccc1-2,0,0,0,0
CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)C(=O)CN3)cn1,0,0,0,0
CC1Cc2ccccc2N1C(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,1,0,0,0
CNc1ccc(-c2[nH]c(-c3ccc(/C=C/CCOC)cc3)nc2-c2ccc(N(C)C)cc2)cc1,0,0,0,0
O=C(/C=C/c1ccc2ccccc2n1)c1cc(Br)ccc1O,0,1,0,0
COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,0,0,0,0
CCN(Cc1ccccc1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1,0,0,0,0
Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)N3CCOCC3)cc2c1,1,0,0,0
CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccc(Br)cc2)n2ncc(C(=O)Nc3cccc(C)c3)c2N1,1,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)CF)CC2)c1F,0,0,0,0
O=C(O)CNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCC(=O)O)ccc1-2,0,0,0,0
N#CC1(c2cccc(Cl)c2Cl)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
COc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1,0,0,0,0
Clc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1,0,0,0,0
O=C(OCc1ccccc1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1,0,0,0,0
CC1(C)CC(=O)C=C(NCc2ccco2)C1,0,0,0,0
Cc1ccccc1C1(O)CCN(CCCC2(C#N)c3ccccc3CSc3ccccc32)CC1,0,0,0,0
CCCn1c(/C=N/Nc2nc3ccccc3[nH]2)nc2ccccc21,0,1,0,0
CC(C)(Oc1ccc(Cl)cc1)C(=O)N/N=C/c1c[nH]nc1-c1ccccc1,1,0,0,0
O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1ccc(Cl)cc1,0,0,0,0
COc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NN=C(S)Nc1ccccc1F,1,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1cccc(F)c1,0,0,0,0
COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC,0,0,0,0
CC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
CCC(=NCCc1c(C)[nH]c2ccccc12)C1=C(O)CC(c2ccccc2)CC1=O,0,0,0,0
CN(C)c1ccc(-c2nn3c(-c4ccccc4Cl)nnc3s2)cc1,0,0,0,0
O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1ccc2c(c1)OCCO2,1,0,0,0
CN1[C@@H]2CC[C@H]1CC(OC(=O)N(CC1CCCCC1)c1ccsc1)C2,0,0,0,0
Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)C(F)(F)F,0,0,0,0
COc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12,1,0,0,0
NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCCC1,0,0,0,0
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1,0,0,0,0
COc1ccc(CCNc2cc3nc(-c4ccco4)nn3c(N)n2)cc1,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N,0,0,1,0
O=S(=O)(c1ccc(Cl)c2ccccc12)N1CCCC1,0,0,0,0
CC(C)Oc1ccc(CC2CC(=O)NC2=O)cc1,0,0,0,0
O=C(c1ccc(Nc2ccccn2)c(Cl)c1)N1CCC(N2CCCCC2)CC1,0,0,0,0
O=C1NCc2ccc(OCCCN3CCN(c4cccc5c4CCCC5)CC3)cc21,0,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5Cl)ccc4c3=O)cn2)C1,0,0,0,0
CCCCCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
Cc1ccccc1CN(C)CC(=O)NC(C)CCc1ccccc1,1,0,0,0
CC(C)(CO)NC(=O)c1nn(-c2cccnc2)c2c1C[C@H]1C[C@@H]21,0,0,0,0
N#Cc1ccc(C(F)(c2ccc(C#N)cc2)n2ncnn2)cc1,0,0,0,0
O=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccccc1,0,1,0,0
COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccccc3)C2)cc(OC)c1OC,0,0,0,0
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)CN(C)C(=O)N4)NC(=O)NC1=O)C2,0,0,0,0
Cn1c(CSc2nnc[nH]2)nc2ccccc21,0,0,0,0
O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N1CCCC1)CC2,0,0,0,0
CC12C(=O)Nc3cc(F)ccc3C(=O)N1C1c3ccccc3OCC1C2c1ccccc1,1,0,0,0
COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(NC(C)=O)cc1)NCC2,0,1,0,0
CCn1cnc2sc(C(=O)O)c(C)c2c1=O,0,0,0,0
Cc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1,0,1,0,0
CSc1cccc(NC(=S)N2CCC(N(C)C3CCCC3)CC2)c1,0,0,0,0
c1ccc(CCNCC2(N3CCCCC3)COc3ccccc3OC2)cc1,0,0,0,0
Cc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1,0,1,0,0
Cn1nnnc1SCCNCc1ccc(Cl)cc1,0,0,0,0
CC(NC(=S)NCc1ccccc1)C12CC3CC(CC(C3)C1)C2,0,0,0,0
COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)OCC2,0,0,0,0
CC(=O)Nc1cc(C)nn1-c1nc(C)cc(C)n1,0,0,0,0
CC1=C(Sc2ccncc2)C2C(=O)NC(N)=NC2N1,0,0,0,0
CCNC(=O)[C@H]1OC(n2cnc3c(NCCNc4ccc([N+](=O)[O-])c5nonc45)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
O=C(O)c1cc(-c2ccco2)n(-c2ccc(Cl)c(Cl)c2)n1,0,0,0,0
O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1C=NC12CN3CN(CN(C3)C1)C2,0,0,0,0
C[C@H](Oc1cc(-c2ccc3c(c2)ncn3C)cc2ncccc12)[C@@H]1CNC(=O)C1,0,0,0,0
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2O1,0,0,0,0
COc1ccc2c(c1)CCC1C2=NN(C(C)=CC(C)=O)C1c1ccc(F)cc1,0,0,0,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccsc3)cn2CCN2CCC2)CC1,0,0,0,0
CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3)C2)nc(C2CC2)c1Cl,0,0,0,0
Cc1ccc(NC(=O)Nc2nc(-c3ccc(C)s3)cs2)cc1,1,0,0,0
COC(Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)n[nH]c1=S)OC,0,0,0,0
O=C(NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,1,0,0,0
CS(=O)(=O)N1CCc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
O=C1C(=O)N(CC2CCCO2)C(c2ccco2)/C1=C(/O)c1ccc(F)cc1,0,0,0,0
COCCn1cnc2c1c(=O)n(CC(=O)NN)c(=O)n2Cc1ccccc1,0,0,0,0
Cc1cccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)OC3O)CCC2)c1,0,0,0,0
O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccccc1Cl,1,0,0,0
COC(=O)C1CCN(CCc2cccc3c2[nH]c2c4ccc5ccn(C)c5c4c4c(c32)C(=O)NC4=O)CC1,0,0,0,1
O=C(c1ccc(-c2ccc(=O)[nH]n2)cc1)N1CCC[C@H]1CN1CCCC1,0,0,0,0
Nc1ccc2c(c1)Cc1ccccc1-2,0,0,0,0
COCCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,1,0,0,0
O=C(NC1CC1)c1ccc(Cn2c(SCc3ccccc3F)nc3cccnc32)cc1,0,1,0,0
COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)[nH]2)cc1,1,1,0,0
O=C(CSc1nc2ccccc2s1)Nc1nccs1,1,0,0,0
Cc1[nH]c2nc(-c3ccccc3)nc(NCCN3CCNC3=O)c2c1C,0,0,0,0
O=C1/C(=C/c2ccco2)CCc2ccccc21,0,1,0,0
CC(C)OCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2(C)C)C1=O,1,0,0,0
Cc1c(C(N)=O)c(-c2ccccc2)nn1-c1ccccc1,0,0,0,0
Cc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1,0,0,0,0
S=C1NCCOCCNC(=S)NCCOCCOCCN1,0,0,0,0
CC(C)CC(O)c1c(-c2cccc(OC(F)(F)F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
Fc1cc(F)c2nc(N3CCCCC3)sc2c1,0,1,0,0
O=C1CCc2cc(C(c3cccs3)n3ccnc3)cc3c2N1CC3,0,0,0,0
O=C(CCl)N(Cc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1,0,0,0,0
C[C@H](N=C1NC(=O)[C@](C)(C(F)(F)F)S1)c1ccccc1F,0,0,0,0
CC(C)(C)C(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1,0,0,0,0
COc1ccc2c(c1)c(CC(=O)O)c(C)n2-c1ccnc2cc(Cl)ccc12,0,0,0,0
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2F)CC1,1,0,0,0
N[C@@H]1CCCN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1,0,0,0,0
CC[C@@H](Nc1ccc(Cl)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1,0,0,0,0
COC(=O)c1ccccc1N=C(S)N(Cc1ccc2c(c1)OCO2)Cc1cc2cc(C)ccc2nc1O,1,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)C)CC2)c1F,0,0,0,0
O=C(COC(=O)c1ccccc1)Nc1ncc([N+](=O)[O-])s1,0,0,0,1
COc1ccc(C(c2c(O)n(C)c(SC)nc2=O)c2c(O)n(C)c(SC)nc2=O)cc1O,0,0,0,0
O=C(O)c1ccc(CN(Cc2ccccc2F)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1,0,0,0,0
OC12CCC(c3nnc4c(Oc5ccccc5F)cccn34)(CC1)C2,0,0,0,0
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@H](C(=O)O)[C@H]2CCCC(=O)C2)c(C)c1,0,0,0,0
Cc1cn(-c2ccc3n(c2=O)CCN(CC2CC(c4cccc(C(F)(F)F)c4Cl)=NO2)C3=O)cn1,0,0,0,0
Cc1ccc(C2=NOC(=O)/C2=C\C=C\c2ccccc2)cc1,1,0,0,0
N#CC1(c2ccc(Cl)c(Cl)c2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
CN(C)CCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1,0,0,0,0
CC(C)(C)c1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3CCc3ccccc32)cc1,0,0,0,0
C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1c1ncc(OCc2ccc(S(C)(=O)=O)cc2)cn1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(OC)c(OC)c1,0,0,0,0
C/C(=N\NC(=O)c1ccccc1Cl)c1ccccn1,0,1,0,0
CCOC(=O)NN1C(=O)c2ccccc2NC12CCCC2,0,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(C(=O)CCC(=O)O)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(Cc2ccco2)CC1,0,0,0,0
CSC1=NCCN1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1ccc2nc(-c3ccccc3)nc(SC(C)C(=O)NCc3cccs3)c2c1,1,0,0,0
COc1ccc(-n2c(=O)c(-c3ccc(F)c(F)c3)nc3cncnc32)cc1,0,0,0,0
CC(C)COc1ccc(CNC(=S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1,0,0,0,0
COc1cc(C#N)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
CCOC(=O)c1nnn(-c2ccc3c(c2)oc2ccccc23)c1[C@H](O)[C@@H](O)[C@H](C)O,0,0,0,0
CC(C)(C)C(=O)N(CC#Cc1cnc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)[C@@H]1CCc2ccccc21,0,0,0,0
CC(C)[C@H](CO)NCc1nc(C2CCC(C(C)(C)C)CC2)ccc1F,0,0,0,0
O=C(c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O)N1CCCCC1,0,0,0,0
OC(c1ccc(F)c(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0,0,0,0
CN1CCN(C(=O)c2ccc(C=C3Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1,1,0,0,0
Cc1nc(C)n(-c2cc(N3CC(c4nc5ccccc5n4C)C3)nc(C3CC3)n2)n1,0,0,0,0
CCOP(=O)(OCC)C(Nc1cccc(C(F)(F)F)c1)c1ccc(F)cc1,1,0,0,0
Clc1ccc(-c2nnc3cccc(Cl)n23)c(Cl)c1,0,0,0,0
Cc1ccc(SCc2nc(-c3ccncc3)no2)cc1,0,0,0,1
FC(F)(F)c1cnc(COc2cc(Cl)cc(Cl)c2)c(Cl)c1,0,0,0,0
OCCNc1nc(Nc2ccc(Br)cc2)nc2ccccc12,0,0,0,0
CCCC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,0,0,0,0
O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(Cl)cc1)S2(=O)=O)c1ccc(Cl)cc1,1,0,0,0
CCN(CCCCCCN(CC)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)Cc1cc2c(cc1O)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0,0,0,0
Cc1ccc(NC(=O)CC(C)C(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1,0,0,0,0
Cc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12,0,0,0,0
COCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(OC(C)C)c3)c2cn1,0,0,0,0
COCC(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccc(F)cc1,0,0,0,0
NC(=O)c1nn(CC2CCNCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1CCn2cncc2C1,0,0,0,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cnn(C)c3)cc2)n1,0,0,0,0
COc1ccc(-c2nnc(SCCCN3CCc4ccc(-c5cc(C)on5)cc4CC3)n2C)cn1,0,0,0,0
COc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1,0,0,0,0
Cc1nc(C)c(CNc2cc(Cl)nc3ccnn23)s1,0,0,0,0
COc1cc(OC)c(C(=O)N2CCCC2)cc1OC,1,0,0,0
CCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12,0,0,0,0
O=c1cc(CSc2ccc(Cl)cc2)[nH]c(N2CCOCC2)n1,0,0,0,0
CCS(=O)(=O)NC[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
CC(Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)co1)C(=O)O,0,0,0,0
COc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccccc2Cl)cc(OC)c1,1,0,0,0
Clc1ncc(COc2ccc(Cl)c3cccnc23)s1,0,0,0,0
COc1ccc2c3csc4ccccc4c-3nc2c1,0,0,0,0
Cc1nc(-c2ccc(N=C3CC(C4CCCCC4)N(c4ccc(-c5noc(C)n5)cc4)C3=O)cc2)no1,0,0,0,0
Oc1ccccc1C1=NN(c2ccccc2)C(c2ccc(F)cc2)C1,0,0,0,0
CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(OC)c(OC)c2)cs1,1,0,0,0
C[C@]12C=CC(=O)C=C1C[C@@H](CCCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
CCSc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
O=S1(=O)NC(=NCc2ccccc2)c2ccccc21,0,0,0,0
FC(F)(F)c1ccc2nnc(-c3c(Cl)cccc3Cl)n2c1,0,0,0,0
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2C(F)(F)F)cc1,0,0,0,0
O=S(=O)(N=C(c1ccccc1)N1CCCCC1)c1ccccc1,0,0,0,0
N#Cc1ccccc1NCc1ccccc1,0,0,0,0
FC(F)(F)c1onc(-c2ccc(Cl)o2)c1-c1ccccc1,0,0,0,0
CNc1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2-c2ccc(N(C)C)cc2)cc1,0,0,0,0
CC(C)C(O)c1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1,0,0,0,0
COC(=O)c1cc2cc(NCc3cnc4[nH]ccc4c3)cnc2[nH]1,0,0,0,0
COc1ccc(CNC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3[nH]nc(-c4ccc(C)cc4)c23)cc1,1,0,0,0
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCOCC3)cc2)nc1,0,0,0,1
CC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
CCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1c[nH]c2ccccc12,1,0,0,0
Oc1ccc(/C=N/N(Cc2ccccc2)c2ccccc2)c(O)c1O,1,0,0,0
COCc1cc(C)nc2sc(C(=O)Nc3ccccc3F)c(N)c12,0,1,0,0
C=CCn1c(SCC(=O)N(C)C)nc2sc3c(c2c1=O)CCC3,0,0,0,0
O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc2c(c1)CCCC2,1,0,0,0
CC(C)(C)Oc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1,0,0,0,0
O=c1[nH]c(SCCCCCCCCc2ccc(Cl)cc2)ncc1Cc1cccnc1,0,0,0,0
COC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccc(CO)cc3c3c4c(c5c6cc(CO)ccc6n2c5c31)C(=O)NC4,0,0,0,0
O=c1cc(-c2ccc(Cl)cc2)[nH]c2ccccc12,0,0,0,0
COc1ccc(CCNC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1OC,1,0,0,0
O=S(=O)(c1ccc2c(c1)O[C@H]1CNCC[C@@H]21)c1ccccc1-c1ccccc1,0,0,0,0
CC1CNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc2C1,0,0,0,0
O=C(COC(=O)c1ccc(O)cc1)NCCCc1ccccc1,0,0,0,1
Cc1ccc(-c2nc(N(C)C3CCN(C)CC3)c3ccccc3n2)cc1,1,0,0,0
O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccccc4)CC3)cc2N1,0,0,0,0
Cc1ccccc1-c1ccc2ncnc(N(C)Cc3ccco3)c2c1,1,0,0,0
COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2,0,1,0,0
CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2cc(Cl)ccc2N2CCOCC2)cc1,1,1,0,0
C=CC(=O)Nc1cccc(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)c1,0,0,1,0
CN(C)S(=O)(=O)c1cc(C(=O)O)c(NC2CCCCC2)cc1Cl,0,0,0,0
CC12CNCC(C)(CN(C3(O)C(=O)Nc4ccc(Br)cc43)C1)C2=O,0,0,0,0
N/C(=N\OC(=O)Oc1ccccc1)c1ccc([N+](=O)[O-])cc1,0,0,0,0
CN1CCN(CCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(NS(=O)(=O)c4ccccc4)nc3n2)CC1,0,0,0,0
Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2C1CCc2ccccc21,0,0,0,0
CC(C)NC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCCCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
CCOc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2cccc(F)c2)cc1,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(N)=O)CC5)c34)c(F)c2)n1,0,0,0,0
O=S(=O)(N=C(c1ccccc1)N1CCOCC1)c1ccc(Br)cc1,0,0,0,0
CCOc1cc2c(cc1OCC)C(c1ccc(OC)cc1)N(c1ccccc1)C(=O)C2,1,0,0,0
CC1(C)C2CC=C(C=NNC(=O)c3ccccc3O)C1C2,1,0,0,0
COc1ccc(C2=NNC(=O)CC2)cc1,0,0,0,0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCCc1ccc(c(N3CCCC3)n1)CCCn1cc2c2ccccc21,0,0,0,0
CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)CO,0,0,0,0
O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(Oc6ccccn6)cccc5c4)c3s2)C1)N1CCOCC1,0,0,0,0
O=C(c1ccc2snnc2c1)N1CCSCC1,0,0,0,0
NC(=O)c1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1c(Cl)cccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)[nH]1,0,1,0,0
O=C(CCn1cnc2c(=O)[nH]cnc21)Nc1ccc(C(=O)O)cc1,0,0,0,0
COc1cc(Nc2c(C#N)cnc3sc(-c4ccc(CN5CCOCC5)cc4)cc23)c(Cl)cc1Cl,0,0,0,0
CN(C)C(=S)Nc1ccc(N2CCOCC2)cc1,1,0,0,0
CC(C)(C)c1ccc(/C=C/C(=O)NC2=NCCS2)cc1,1,1,0,0
c1ccc(Cn2ncc3c(OC4CCN(Cc5cscn5)CC4)ncnc32)cc1,0,0,0,0
Oc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1,0,0,0,0
COC(=O)c1ccc(-n2nnnc2SCc2nn[nH]n2)cc1,0,0,0,0
CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(OC)cc2OC)cs1,1,0,0,0
CCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12,0,0,0,0
OCCNc1nc(N2CCCCC2)nc2ccccc12,0,0,0,0
COc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cc1,1,0,0,0
CC(NC(=O)CCCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
Cc1cc(C)c(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)c(C)c1,0,0,0,0
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2cc(-c3ccc(OC)cc3)ccc2OC)ncc1Br,0,0,0,0
O=C1N(Cc2ccccc2-n2nccn2)CCCC12CCN(c1cnc3ccccc3n1)CC2,0,0,0,0
O=C1CN(C(=O)COc2ccc(Cl)cc2Cl)c2ccccc2N1,0,0,0,0
CCCCCCC1=Cc2cc(=C(N)NNC(=O)c3ccncc3)c(=O)oc2=CC1=O,0,0,0,0
Fc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,0,0,0,1
CSc1ccc(/C=C/c2nc(NCCCN(C)C)c3cc(Cl)ccc3n2)cc1,0,0,1,0
Cc1ccccc1-c1nc2sc(-c3ccccc3)cc2c(=O)o1,0,1,0,0
CCOC(=O)Cc1csc(NC(=O)CC(C)(C)C)n1,0,0,0,0
Cc1cc([C@H](Nc2ccc(C)c(CNCCC(=O)O)c2C)C(F)(F)F)ccc1Cl,0,0,0,0
Cc1cc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)n1C1CCCC1,0,1,0,0
OC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,0,0,0,0
CCN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC)c(C#N)cn1)CCC2)C(C)=O,0,0,1,0
CCC1C(=O)N=C(SCC(=O)Nc2nc3ccccc3s2)NC1=O,0,0,0,0
O=C(O)[C@@]1(N(CCn2cnc3ncncc32)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1,0,0,0,0
Cc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)c1,1,0,0,0
CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N21,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(Br)cn4)cc[nH]c3=O)nc12,0,0,0,0
CSc1nc(=O)c2sc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1C,0,0,0,0
CCOc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1,1,0,0,0
COc1noc2c1CNCCC2,0,0,0,0
O=C(CCCN1CCC(n2c(=S)[nH]c3ccccc32)CC1)c1ccc(F)cc1,0,0,0,0
O=C(O)c1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1,0,0,0,0
COc1ccc(-c2nc3cnc(N4CCOCC4)nc3n(CC3CCCO3)c2=O)cc1,1,0,0,0
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(-c3ccc(C(=O)NCCO)cc3)ccnc21,0,0,0,1
CCCCNC(=O)C1CSC2c3ccccc3C(=O)N12,0,0,0,0
COc1cc(C2=C(c3cn(CCN4CCCCC4)c4ccccc34)C(=O)NC2=O)cc(OC)c1OC,0,0,0,0
O=C(O)c1ccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1,0,0,0,0
Brc1ccc(-c2csc3[n+]2CCCCC3)cc1,0,0,0,0
Cc1ccc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)N4CCCCC4)cc32)c1,0,0,0,0
O=c1[nH]c(CSc2ccccn2)nc2ccccc12,0,1,0,0
CC1(C)CC(=O)C2C(=Nc3ccccc3NC2c2ccc3c(c2)OCO3)C1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3Cl)c(F)c2)CC1,0,0,0,0
Cc1ccc(C)c(Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sc4ccccc4c32)c1,0,0,0,0
CCOC(=O)c1nc2ccccc2c(=O)n1-c1cccc(C)c1,0,0,0,0
Cc1noc(C)c1C(=O)N1CCC2(CCCN(c3ccccn3)C2)CC1,0,0,0,0
OC[C@@H]1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12,0,0,0,0
COc1cc(NCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
Cc1ccc(NCc2ccccc2O)c(C)c1,0,0,0,0
C[C@H](Cc1ccccc1)N(CCCc1ccccc1)Cc1ccccc1,0,0,0,0
COc1cccc(CN2CCN(C(=O)CC(C)C)CC2)c1,0,0,0,0
COc1ccc2[nH]c(=O)c3sccc3c2c1/C=C/CN1CCC(N)CC1,0,0,0,0
Cc1cccc(NC(=O)Nc2ccccn2)c1C,0,1,0,0
Cc1nc2c(S(=O)(=O)c3ccccc3)c(N(C)C)nn2c2c1CCC2,0,0,0,0
O=c1[nH]c(CSc2nnc(-c3cccnc3)n2C2CCCCC2)nc2ccccc12,0,0,0,0
C=CCSc1nnc2c(n1)OC(c1ccco1)Nc1ccccc1-2,0,0,0,0
CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)CC(C)(C)C,0,0,0,1
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCC(=O)C2(C)C,0,0,0,0
COc1ccc(NC(=O)n2ccnc2)cc1,0,0,1,0
CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1,0,0,0,0
CC(C)(CCC(C)(C)c1ccccc1)c1ccccc1,0,0,0,0
O=C(OCc1ccccc1)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,0,0,0,0
c1ccc(COc2cc3[nH]nc(-c4nc5ccc(N6CCC(N7CCCCC7)CC6)cc5[nH]4)c3cc2OCc2ccccc2)cc1,0,0,0,0
COc1cc(N=Cc2c(O)[nH]c3ccccc23)cc(OC)c1OC,0,0,0,1
CCc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)cc1,1,0,0,0
CC1CCCCCCCc2cc(O)cc(O)c2C(=O)O1,0,0,1,0
O=C1NC(=O)C(=Cc2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1,0,0,0,0
Nc1cccc(C(=O)OCC(=O)c2ccccc2)c1,0,1,0,0
Nc1cc2ccnc(N)c2cc1CN1CC[C@H](NS(=O)(=O)c2cc3ncccc3s2)C1=O,0,0,0,0
O=C1c2ccccc2-c2onc3ccc(NCCCN4CCNC4)c1c23,0,0,0,0
O=C(O)CNC(=O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1,0,0,0,0
CC(=O)NC1C(=O)N(CC(C)C)c2ccccc21,0,0,0,0
Cc1ccc(-c2c3n(c(=O)c4ncccc24)CCCN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C3=O)cc1,0,0,0,0
O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(F)c(F)c1F,0,0,0,0
CC[n+]1ccc(/C=C/c2ccc(N(C)C)cc2)c2ccccc21.[I-],0,1,0,0
O=S(=O)(C1CCCCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1,0,0,0,0
COc1ccc(-c2nc3cnc(Nc4cccc(OC)c4)nc3n(C)c2=O)cc1,1,0,0,0
CCOCCCNC(=S)N1CCN(Cc2ccco2)CC1,0,0,0,0
CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2)ccc1OCC(=O)NC(C)(C)C,0,0,0,0
CC(C)c1ccc(/C=C/c2nc(NCCCN(C)C)c3cc(Cl)ccc3n2)cc1,0,0,1,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OC(C)CN(C)C)c(C(=O)O)c2)c1,0,0,0,0
CCn1nc(C)c(N2CCc3nc(-c4c(C)ccc5[nH]ncc45)cc(C)c3C2)c1C,0,0,0,0
Fc1ccc(Nc2ncnc3nc(NCCN4CCOCC4)sc23)cc1Cl,0,0,0,0
CCOC(=O)/C(=N\Nc1ccccc1)S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccccc1N1C(=O)CC(N2CCc3ccccc32)C1=O,0,0,0,0
CCC1CCCCN1CCCNC(=O)CS(=O)(=O)Cc1nc(-c2cccc(OC)c2)oc1C,1,0,0,0
C[C@H](Nc1ncc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ccc(F)cn1,0,0,0,0
O=[N+]([O-])c1ccc(OCn2cncn2)cc1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(C(F)(F)F)ccc2Cl)CC1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccccc3)c12,0,0,0,0
O=C(c1n[nH]c2c1CCN(C1COC1)C2)N1CCC(c2cccc(F)c2C(F)(F)F)CC1,0,0,0,0
COc1cccc(N2CCN(c3nc(=O)c(C)c(C)[nH]3)CC2)c1,0,0,0,0
CS(=O)(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
O=C1OC[C@H](Cc2ccccc2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1,0,0,0,0
Cc1ccc(S(=O)(=O)c2c[nH]c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2=O)cc1C,1,0,0,0
N#C[C@@H]1C[C@@H](NCc2c(F)cccc2F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1,0,0,0,0
CN1C[C@@H]2C[C@H]1CN2c1ccc(-c2ccc3[nH]c(C(F)(F)F)cc3c2)nn1,0,0,0,0
NS(=O)(=O)OC[C@H]1O[C@@H](n2ccc3c(NCc4ccccc4)nccc32)C[C@@H]1O,0,0,0,0
COc1cccc2c1nc(N)n1nc(CN3CCN(c4sc(C)nc4C)C[C@H]3C)nc21,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccccc1,0,0,0,0
CCOC(=O)/C=C/c1cc(CSc2nnc(-c3ccccn3)o2)cc(C(N)=O)c1,0,0,1,0
CCCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)CF)CC1,0,0,0,0
Cn1c(CNc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)nc2ccccc21,0,0,0,0
CN1CCC(n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0,0,0,1
c1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,0,0,0,0
Cc1cc(C)c2c(n1)nn1c(N3CCN(c4ccccn4)CC3)cc(C)nc21,0,0,0,0
c1ccc2nc3c(nc2c1)c1ccccc1n3CCN1CCOCC1,1,0,0,0
CCCc1[nH]nc2c1C(c1ccc(C)cc1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
C[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](C)ccc21,0,0,0,1
CC(=O)N1CCN=C1SCc1cccc(Cl)c1,0,0,0,0
COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
Cc1cnc(-c2ccc(N3CCC(N4CCc5ccc(F)cc54)CC3)nn2)s1,0,0,0,0
CC(C)C(NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12)C(=O)O,0,0,0,0
CC(C)c1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1[C@@H](O)CC1(CCC1)C2,0,0,0,0
CC(C)c1nc2sc3c(=O)nc[nH]c3c2c2c1CCC2,1,0,0,0
CSc1nnc(NCc2ccc(C)cc2)[nH]1,0,0,0,0
O=C(O)c1ccc(N/N=C/c2ccc(-c3cccc(Cl)c3)o2)cc1,0,1,0,0
O=C(CBr)c1ccc(N2CCOCC2)cc1,0,0,1,0
Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1,0,0,0,0
COCCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C1CC1)C1CC1,0,0,1,0
COc1ccc(OC)c(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)c1,1,0,0,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCC2c1ccc(N)cc1,0,0,0,0
COCC1CN(c2cc(-c3n[nH]c4ccc(O[C@@H](C)COC)cc34)ncn2)CCO1,0,0,0,0
O=C(c1ccc(-c2ccccc2)cc1)c1cccc(Cn2ccnc2)c1,0,0,0,0
CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
Oc1ccc2c3c1OC1c4[nH]c5c(c4CC4(O)C(C2)N(CC2CC2)CCC314)CC1(O)C2Cc3ccc(O)c4c3C1(CCN2CC1CC1)C5O4,0,0,0,0
CC(=O)C(=NNc1ccc(Br)cc1)Sc1cccc2cccnc12,1,0,0,0
COc1ccc(S(=O)(=O)O)cc1C1(C2CCN(Cc3ccc(Br)cc3)CC2)CCC(=O)NC1=O,0,0,0,0
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(NC3C[C@H](C(C)(C)O)[C@@H](O)[C@H]3O)n2)cc(C)n1,0,0,0,0
O=C(O)C1(COc2ccc(-c3ccc(-c4ncc(C(F)(F)F)[nH]4)nc3)cn2)CCCC1,0,0,0,0
O=c1nc(C(F)(F)F)cc(C=Cc2ccc(Cl)cc2Cl)[nH]1,0,0,0,0
CCCOc1ccc(Oc2nc(-c3ccncc3)nc3ccccc23)cc1,0,0,0,0
COc1cccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)c1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCCF)c(C(=O)O)c2)c1,0,0,0,0
Cc1ccc([C@@H]2C[C@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1,0,0,0,0
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(C)c23)c1,0,0,0,0
CC(C)NC(=O)c1cc2c(s1)CCCC2,0,0,0,0
Cc1cc(C2CC2)c(C(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)cc(NC4CCC(F)(F)CC4)nc23)[nH]1,0,0,0,0
CC(C)(C)c1ccc(-c2nc3c(N4CCN(Cc5ccnc(S(C)(=O)=O)n5)CC4)cccc3[nH]2)cc1,0,0,0,0
CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3F)nc3nc[nH]c23)cc1,1,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(N)=O)c3)cn2CCN2CCC2)CC1,0,0,0,0
COc1ccc(-c2nc3cnc(OC)nc3n(-c3ccccc3)c2=O)cc1,0,0,0,0
Cc1cccc(C(=O)ON=C(N)Cc2cccc3ccccc23)c1,0,0,0,1
O=C(O)COc1ccc(F)c(NCc2cc(-c3ccc(F)c(F)c3)ccc2F)c1F,0,0,0,0
CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1,0,0,0,0
CCOC(=O)c1c(S(=O)(=O)NCc2ccc(OC)cc2)c(C)n(C)c1C,0,0,0,0
COc1ccc(C2c3ccc4ccccc4c3Oc3ncn(CCN4CCOCC4)c(=N)c32)cc1,1,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CN(CCCc2ccccc2)CC(=O)O)c1,0,0,0,0
CC(C)Cn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,1,0,0,0
CCCN(CCC)CCCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1,0,0,0,0
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1,0,0,0,0
CCN(CC)c1nc(C)nc2c1cnn2CCc1ccccc1.Cl,0,1,0,0
COc1ccc([N+](=O)[O-])cc1N1C(=O)c2cccnc2C1=O,0,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(O)c3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
O=C(O)c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,0,0,0,0
O=C(CCl)Nc1nccs1,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc(N3C(=O)c4ccccc4C3=O)cc2)CC1,1,0,0,0
Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCCCC3)ccc12,0,0,0,0
Cn1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)cn1,0,0,0,0
CC1OC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)OC5OC(CO)C(OC6OC(COC7OCC(O)C(O)C7O)C(O)C(O)C6O)C(O)C5O)CCC34C)C2(C)C)C(O)C(O)C1OC1OCC(OC2OCC(O)C(O)C2O)C(O)C1O,0,0,0,0
COc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
CC(C)(CNC(=O)NCC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
O=C(O)CSc1nnc(SCc2cccc3ccccc23)s1,0,0,0,0
CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]ccc3c2C1,0,0,0,0
CC(C)C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O,0,0,0,1
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(F)cc1,0,0,0,0
CC(C)CCCC(C)C1CCC2C3C(CC[C@]12C)[C@@]1(C)CCC(=O)NC1C[C@@H]3C,0,0,0,0
Cc1csc(C[C@@H](C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)C(C)C)n1,0,0,0,0
CN(C)c1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1,0,0,0,0
O=C(/C=C/CN1CCCC1)Nc1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1,0,0,1,0
CCN(CC)c1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Cl)cc12,0,0,0,0
Cc1ccc(Cn2c(CCC(=O)O)nc3ncccc3c2=O)cc1,0,0,0,0
COCCNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cncnc21,0,0,0,0
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)Cc1ccccc1,0,0,0,0
COc1ccc2sc3ccccc3c(=O)c2c1OC,0,1,0,0
CC(NS(=O)(=O)/C=C/c1ccccc1)c1ccccc1,0,0,0,0
Cc1cccc(-c2n[nH]c(=S)n2N=Cc2ccc(C)s2)c1,0,0,0,0
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2ccc(C)s2)cc1,0,0,0,0
Oc1ccc2ccc(-c3cncc4ccccc34)c(Cl)c2c1,0,0,0,0
CCOC(=O)CN(Cc1ccc(F)cc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
CC(C)c1cc(-n2nncc2-c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(O)cc1O,0,0,0,0
CCCCNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCC(C)CC4)C3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCc1cc(=O)nc(SCc2ccc(Cl)cc2)[nH]1,1,0,0,0
CC(C=CC1(O)C(C)CC(O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,0,0,1,0
CCc1nc(Oc2cc(C)ccn2)c(CC)nc1N[C@@H]1c2ccccc2C[C@@H]1OC1CCCC1,0,0,0,0
Cc1ccc(-n2c(SCc3cn4ccsc4n3)nc3ccccc3c2=O)cc1,0,0,0,0
CC(C)Oc1ccc(C2CC(=O)NC2=O)cc1,0,0,0,0
c1ccc(OCCCCn2cnc3ccccc32)cc1,0,0,0,0
CCCS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCC(C(N)=O)CC3)cc2OC)ncc1Cl,0,0,0,0
O=C(NCCS(=O)(=O)c1ccccn1)c1ccc(Cl)cc1,0,0,1,0
O=C1C=C(NCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)C(=O)c2ccccc21,0,0,0,0
Cc1ccccc1-n1c(C=Cc2c(C)[nH]c3ccccc23)nc2ccccc2c1=O,1,0,0,0
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC5(C)C3(C)CC4)OCC(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O,0,0,0,0
CC(C)(C)CN1CC[C@@H](c2cc(-c3ccc(Cl)cc3)n[nH]2)[C@H](c2ccc(F)cc2)C1,0,0,0,0
CN(C)CCN(Cc1ccc(Cl)cc1)c1ccc2ccccc2n1,0,0,0,0
COc1cc(N(CC2CC2)c2ccc(C)c3ccccc23)ncc1C(=O)C1CC1C(=O)O,0,0,0,0
CCCOc1ccc(-c2nccs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1,0,0,0,0
CCOc1ccc(CNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)cc1OC,1,0,0,0
CCCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCC1,1,0,0,0
O=C(NC(NC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1)c1ccccc1,1,0,0,0
CCCC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1,0,0,0,0
O=C(Nc1ccc2oc(=O)ccc2c1)c1ccc2ccccc2c1,0,1,0,0
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(C#N)cc1)N(C1CCC(O)CC1)C2=O,0,0,0,0
Br.O=C(O)c1cscn1,0,0,0,0
Cc1ccc(C)c(OCCSc2nc(=O)c(C)n[nH]2)c1,0,0,0,0
CC1(C)C(O)CC(O)C2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,0,0,0,0
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)cc32)cc1,1,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)N1CCOC12CCN(c1cccc(F)n1)CC2,0,0,0,0
COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1,0,1,0,0
Cc1cccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)c1,0,0,0,0
Cc1c(-c2nc(-c3ccccc3F)no2)nnn1-c1cc(F)ccc1F,0,1,0,0
C=CCN1C(=O)C(C(C)CC)NC1=S,0,0,0,0
COc1ccccc1-c1cc(Nc2ccn[nH]2)ncn1,0,0,0,0
Cc1ccc(C(C)C)c(OCCCn2c(=O)oc3ccccc32)c1,0,0,0,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N=Cc3c(C)[nH]n(-c4ccccc4)c3=O)cc2)n1,0,0,0,0
CCCOc1ccc(CNC(=S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1,0,0,0,0
CC(=Cc1ccccc1)C=C1SC(=S)N(CC(=O)O)C1=O,0,1,0,0
N#Cc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OC(C)c3ccccn3)c(C(=O)O)c2)c1,0,0,0,0
COc1ccc2cnn(Cc3ccccc3)c(=O)c2c1OC,0,0,0,0
C/C(=N/NC(=S)Nc1cccc(C)c1)c1cccc([N+](=O)[O-])c1,0,0,0,0
CCN(CCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1)Cc1ccccc1,1,0,0,0
S=C(c1ccc2c(c1)OCO2)N1CCCC1,0,0,0,0
COc1cc(SC)ccc1C(=O)Nc1ccc2c(c1)CCC2,0,1,0,0
COC(=O)c1sccc1-c1ccc(C(=O)Nc2cccnc2)o1,0,1,0,0
CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccc(C(=O)O)cc2)nc1/C=C/C(=O)O,0,0,0,0
CCC(=O)N1N=C(c2cccs2)CC1c1ccco1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)Cn2c(=O)c3c(ncn3CC)n(Cc3ccccc3)c2=O)c1C,1,0,0,0
CSc1nc(=O)c(CCOC(=O)c2ccccc2)c(C)[nH]1,1,0,0,0
CCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2)cc1OCC,1,0,0,0
COC(=O)c1ccccc1S(=O)(=O)NCc1nc2nc(C)cc(C)n2n1,0,0,0,0
O=c1[nH]c2cc(CNS(=O)(=O)c3ccc4ccccc4c3)ccc2n1-c1cc(Cl)c(O)cc1O,0,0,0,0
FC(F)c1nnc2c(Cl)cc(C(F)(F)F)cn12,0,0,0,0
C[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(Br)cnc2O1,0,0,0,0
CC(=O)Nc1cccc(-c2n[nH]c3c2Cc2cc(CNC4CCC(C)CC4)ccc2-3)c1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1,0,0,0,0
CCNC(=O)c1ccc(-c2ccc(F)c(C3=C(CN4C(=O)O[C@H](c5cc(C(F)(F)F)cc(C(F)(F)F)c5)[C@@H]4C)CC(C)(C)CC3)c2)c(C(F)(F)F)c1,0,0,0,0
CCOc1ccccc1CN1CCC(Oc2cccc(C(=O)NCCOC)c2)CC1,0,0,0,0
Cc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3)C2)nc(C2CC2)c1F,0,0,0,0
COc1cc(OC)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O,0,0,0,0
COC(=O)CSc1cccc2c1C(=O)CC2c1ccccc1,0,0,0,0
O=C(N/N=C/c1ccc(Sc2ccccn2)o1)c1cccc([N+](=O)[O-])c1,1,0,0,0
CC1(C)OC(=O)C=CC2(C)C1CC(=O)C1(C)C2CCC2(C)C(c3ccoc3)OC(=O)C3OC321,1,0,0,0
C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]nc(N)c4c3)NC(=O)NC1=O)C2,0,0,0,0
COc1cccc(CNC(=O)CCCN2C(=O)CSc3c2c(C)nn3-c2ccccc2)c1,1,0,0,0
O=[N+]([O-])c1ccc(N2CCN(c3ccccc3)CC2)cc1,0,0,0,0
O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCC2(CC1)OCCO2,1,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)NCCOP(=O)(O)O)c2)c(C(F)(F)F)n1,0,0,0,0
CCNc1ncc2nc(-c3ccccc3)c(=O)n(CCOC)c2n1,0,0,0,0
CC(C)CN(CCCNC(=O)CC1Oc2ccccc2NC1=O)CC(C)C,0,0,0,0
Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)cc1,1,0,0,0
CC(CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)CC(C)(C)C,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)OC)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
COc1cc(N2Cc3ccc(-c4ccc(C)cc4)nc3C2=O)ccc1OCCN1CCCC1,0,0,0,0
O=C(Nc1cccnc1)Nc1ccc(F)c(Cl)c1,0,1,0,0
[C-]#[N+]c1ccc(N2C(=O)C3(CCCC3)N(c3ccc(C)cc3)C2=S)cc1C(F)(F)F,0,0,0,0
CCN(CC)CCCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,0,0,0,0
C#CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,0,0,0,0
N#Cc1c(-c2ccccc2F)cc(C2CC2)nc1SCC(=O)c1cccs1,1,0,0,0
C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4c(c3)COCO4)ccc2c1,0,0,0,0
CCCn1nnc(NC(=O)C(C)C)n1,0,0,0,0
COc1ccc(N2C(=O)CSC2=NC(=S)Nc2ccccc2)cc1,0,0,0,0
Cc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1,0,1,0,0
COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(NC(C)=O)c4)sc3n2)cc1,1,1,0,0
N#Cc1c(NC(=O)CCC(=O)O)sc2c1CCCC2,0,0,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC,0,0,0,0
CCCNC(=O)CC1CCN(c2nc(N)c3cc(OC)c(OC)cc3n2)CC1,0,0,0,1
O=C(c1ccccc1C(=O)N1CCN(c2ccc(F)cc2)CC1)N1CCN(c2ccc(F)cc2)CC1,1,0,0,0
CCC1CN(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c2cc(C)ccc2O1,1,0,0,0
C=CCn1c(SCc2ccc(OC)cc2)nnc1-c1cccnc1,0,0,0,0
COc1ccc2c(c1)C(=NN1C(=O)c3ccccc3C1=O)C(=O)N2,0,0,0,0
CCN(CC)CCNC(=O)CCc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CCCn1cc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c(C)n1,0,0,0,0
COc1cc(CCCN2C(=S)NC[C@H]2Cc2ccc(O)cc2)cc(OC)c1OC,0,0,0,0
Cc1ccc(C(C)C)cc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
C=CCn1c(Oc2ccccc2F)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C#N)c2)n1)c1ccccc1,0,0,0,0
CC(=O)c1cc(O)c(O)cc1C[C@@H](C)[C@@H](C)Cc1cc(O)c(O)cc1C(C)=O,0,0,0,0
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1Cl,0,0,0,0
CN(c1ccn(C)n1)C1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
Cc1ccc(Sc2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)c(C)c1,1,0,0,0
O=c1c(CNc2nc3ccccc3[nH]2)cn(-c2ccccc2)c2cc(Cl)ccc12,0,0,0,0
COC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
CC(C)N1CCN(C(=O)c2ccc(CN3CCOCC3)o2)CC1,0,0,0,0
CN(C)c1ncc2ncnc(Nc3cccc(Br)c3)c2n1,0,0,0,0
Cc1ccccc1CN1C(=O)C(O)(c2c[nH]c3ccccc23)c2cc(Cl)ccc21,0,0,0,0
Cc1c(-c2ccc(F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
C=CCOc1cccc(C(=O)/C=C2/C(=O)Nc3ccccc32)c1,0,1,0,0
Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C(\C#N)C(=O)OC(C)C)C[C@@H]2CCCNC2=O)no1,0,0,1,0
CC1(C)CC2CC(C)(CN2C(=O)C2=NOC(=C3C=CC(=O)C=C3)C2)C1,0,0,0,0
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5cn[nH]c5)C4)c3C2)cc1C(F)(F)F,0,0,0,0
COc1cc2nncc(-c3cnc(N4CCC(C)(O)CC4)c(C)c3)c2cc1OC,0,0,0,0
COc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1,0,0,0,0
O=S1(=O)NC(=NC23CC4CC(CC2C4)C3)O[C@H]2CCCC[C@H]21,0,0,0,0
COc1ccc(-n2c(C)cc(/C=C3/SC(=S)N(C)C3=O)c2C)cc1,1,1,0,0
O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1,1,0,0,0
O=C1CN(C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)c2ccccc2N1,0,0,0,1
CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1,0,0,0,0
COc1ccccc1-n1c(=S)sc2c(=O)n(Cc3ccco3)c(SC)nc21,0,0,0,0
Oc1ccc2ccc(-c3cncnc3)c(Cl)c2c1,0,0,0,0
Cc1ccc(-c2c(C(=O)NC(C)C)oc(=O)c3ccccc23)cc1,0,0,0,0
C=C1CCN(c2ccc(C(=O)NCc3ccccc3)cc2[N+](=O)[O-])CC1,1,0,0,0
COC(=O)c1sc(N)nc1C(C)(C)C,1,0,0,0
CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1,0,0,0,0
CC(C)CC(CC(=O)NC(CCC(=O)O)CC(=O)O)NC(=O)C1CNCCC1NC(=O)CC(NC(=O)CC(Cc1ccccc1)NC(=O)C1CNCCC1N)C(C)C,1,0,0,0
C=CCOc1c(CNc2ccc(C(=O)O)cc2)cccc1OC,0,0,0,0
Cc1ccc(N2C(=O)NC(=O)/C(=C/c3cnc(-c4ccccc4)nc3)C2=O)cc1C,0,0,0,0
COc1ccccc1-c1nn2c(=O)cc(C)nc2s1,0,0,0,0
COc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
Cc1ccc(/C=N/Nc2cc(C)nc(NCc3ccccc3)n2)cc1,0,1,0,0
CO[C@@H]1CCC[C@H]1CNc1ncnc2[nH]c(-c3ccc(OCCN(C)C)cc3)c(-c3ccccc3)c12,0,0,0,0
O=C1Nc2ccccc2NC1=CC(=O)C1CC1,0,0,0,0
CCN(CC)C(=O)CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1,0,0,0,0
Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCN(C)CC5)cc34)[nH]c2c1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2cccc(Cl)c2)CC1,0,0,0,0
CC1=C(C(=O)NCCCN2CCC(C#N)(c3ccccn3)CC2)[C@@H](c2ccc(F)c(F)c2)CC(=O)N1C,0,0,0,0
COC(=O)C(C)(C)C(c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1ccnc1,0,0,0,0
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OCC(F)F)c12,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CN)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1CC1=C(c2cc(-c3ccc(C(=O)O)cc3C(F)(F)F)ccc2Cl)CCC(C)(C)C1,0,0,0,0
OC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
CC(=O)c1c(C)nc(Nc2nc(C)c3cc(C)ccc3n2)nc1C,0,0,0,0
COc1ccccc1CN1CC2CC(c3ccc(C)c(C)c3)N3CCCC23C1=O,1,0,0,0
CCc1c(CCCC(=O)O)cccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1,0,0,0,0
CCc1nnc(NC(=O)c2sc3nc4c(cc3c2N)CCCCC4)s1,0,1,0,0
CNC(=O)N1C[C@H]2CC[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@@H]2C1,0,0,0,0
CCO[C@@H]1C[C@H](N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1,0,0,0,0
O=C(CCN1C(=O)COc2ccccc21)NCCN1CCN(c2cccc(Cl)c2)CC1,1,0,0,0
COCc1cc(C)nc(OCC(=O)N/N=C\c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N,1,0,0,0
Cc1ccc2c(c1)CCCN2C(=O)c1cccs1,0,0,0,0
CCN(CCCNC(=O)CCc1nc(-c2ccc(C)cc2)no1)c1cccc(C)c1,1,0,0,0
COc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1,0,0,0,0
O=C(O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2ccc(F)cc2)cn1C,0,0,0,0
CCc1ccc(-c2nc(SCC(=O)N(CCOC)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n[nH]2)cc1,0,1,0,0
Cc1cccc2cc(CN(Cc3cccs3)C(c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12,0,0,0,0
CC1=NN(c2ccccc2)C(=O)C1=Cc1cn(C)c2ccccc12,0,0,0,0
CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(Cl)cc4)oc3c2)[C@H]1C,0,0,0,0
CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cc(OC5CCOCC5)ccn4)n3)ccc2[nH]1,0,0,0,0
COC(=O)[C@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,0,0,0,1
COC(=O)C(CCSC)NC(=O)N1CCN(Cc2ccccc2)CC1,0,0,0,0
c1ccc(C2CCc3cc(Oc4ncc(CNCc5nnc6ccccn56)s4)ccc3O2)cc1,0,0,0,0
Cc1ccccc1-n1cnc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c1=O,1,0,0,0
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCc2ccc3c(c2)OCO3)s1,1,0,0,0
Oc1c(C2=NCCN=C(C(F)(F)F)C2)ccc2ccccc12,1,0,0,0
COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)OC(C)(C)C6)nn34)ccnc2c1,0,0,0,0
CCOc1cc2ncnc(Nc3cccc(-c4cncs4)c3)c2cc1OCC,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OC(C)(C)CN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
Fc1ccc2nc(N3CCCCC3)sc2c1,0,1,0,0
CSc1nc(Nc2ccc3nc(C)cc(N)c3c2)nc(Nc2ccc3nc(C)cc(N(C)C)c3c2)n1,0,0,0,0
CCn1c(COc2ccc(OC)cc2)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccsc2)s1,0,0,0,0
COc1ccc(OC)c(C=C2SC(=S)N(N3CCOCC3)C2=O)c1,0,0,0,0
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C(C)C)CC2)cc1,0,0,0,0
CC(O)C(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
O=S(=O)(NCc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,0,0,0,0
O=S(=O)(c1ccccc1)N1CCCC1c1cccs1,0,0,0,0
O=C(O)C=CC(=O)Nc1ccc2c(c1)-c1ccccc1C2,0,0,0,0
CNCC1Cc2ccc3c(ccn3S(=O)(=O)c3cccc4ccccc34)c21,0,0,0,0
CSc1ccc(/C=C/c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1,0,0,1,0
C[C@H]1Cn2c(nnc2-c2cncc(Cl)c2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl,0,0,0,0
CCc1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1,0,0,0,0
O=C(O)Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1,0,1,0,0
Cc1cccc(N2CCN(C(c3ccccc3)c3nnnn3CC3CCCO3)CC2)c1C,1,0,0,0
CN(C)CCc1cccc2[nH]c(-c3nc(CCC4CC5CCC4C5)no3)cc12,0,0,0,0
CCCc1ccc(C(=O)NC(=O)c2ccccc2O)cc1,0,1,0,0
Nc1nc2nn(-c3ccccc3)nc2c(=O)[nH]1,0,1,0,0
CC(=O)Nc1sc(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
CCOc1c(Nc2ccc(C(C)C)cc2)c(=O)c1=O,0,1,0,0
NS(=O)(=O)c1ccc(NCc2c(F)cccc2Cl)cc1,0,0,0,0
Cc1ccc2[nH]c3c(=O)n(CC(=O)NCc4ccco4)ncc3c2c1,1,0,0,0
CCOc1ccc(C=C2C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1OCC,1,0,0,0
COc1ccccc1OCCCCOc1ccccc1F,0,1,0,0
COc1ccc(C23Cc4cc(OC)c(OC)cc4C(O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1,0,0,0,0
N#Cc1c(-c2ccc(F)cc2)nc2n(c1=O)CCS2,0,0,0,0
Cc1cc(Nc2nccc(C)n2)cc(-c2cccc(C(=O)O)c2)c1,0,0,0,0
CC1CCN(CCCCCc2ccccc2)CC1,0,0,0,0
COc1cccc(C=NNC(=S)Nc2cccc(C(=O)O)c2)c1,0,0,0,0
CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
CCCn1c(=O)c2c(cc(-c3ccc(C)cc3)n2O)n(CCC)c1=O,0,0,0,0
CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
COc1ccc(OCCSc2nnc(-c3ccccc3)n2N)cc1,0,0,0,0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Br)cc1F,0,0,1,0
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4cc(Br)ccc43)C2)n1C,0,0,0,0
CN(C)C1(C(=O)O)CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1,0,0,0,0
C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc(C(=O)NCc4ccc(C(C)(C)C)cc4)c3)c3c(N)ncnc32)C1,0,0,1,0
Nc1nc(SCC(=O)O)c2[nH]cnc2n1,0,0,0,0
Cc1c(CNC2CCCCCC2)c(C(=O)O)c(C)n1Cc1ccc(F)cc1,0,0,0,0
OCCNc1nc(-c2ccnc(NC3CCCCC3)c2)cc2cnccc12,0,0,0,0
O=C(c1cc(F)ccc1-c1ccn[nH]1)N1C2CCC1C(COc1ccc(F)cn1)C2,0,0,0,0
O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(C(=O)C2CCCO2)CC1,1,0,0,0
FC(F)(F)c1cccc(-n2c(Cn3nnc4ccccc43)n[nH]c2=S)c1,0,0,0,0
CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12,0,0,0,0
O=C(O)COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1,0,0,0,0
CCN(CC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,1,0,0,0
O=C(CCCCCl)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21,0,0,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccc(F)cc1,0,0,0,0
O=C1NC(c2ccc(Br)cc2)=N/C1=C/c1ccco1,0,1,0,0
CC(C)(O)C1CC(CN2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccnc(F)c4)n3)CC2)C1,0,0,0,0
CC(N)Cn1ccc2c1-c1cc(Br)ccc1C2,0,0,0,0
CC(=O)OCCN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2ccccc21,0,0,0,0
CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5F)cc4c32)CCN(C(N)=O)CC1,0,0,0,0
Fc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
Cc1cc(C(=O)O)c2c(=O)n(C)c(=O)n(C)c2n1,0,0,0,0
CC[C@@H]1CC[C@@H]2C[C@]13Cc1cc(O)ccc1C3=C(C)C2=O,0,0,0,0
COCC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CC(C)CC4,0,0,0,0
COC(=O)c1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)n1C,0,0,0,0
COc1ccc(OC)c(CNS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)c1,0,0,0,0
O[C@H](c1ccc(-c2cc(NCC(F)(F)F)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)F,0,0,0,0
Cn1c(C(N)=O)cc2c(-c3ccc(NC(=O)C(C)(C)C)cc3)ncnc21,0,0,0,0
Cc1ccc(C2C=C(c3ccc(Cl)cc3)N=C3NC(NS(=O)(=O)c4ccccc4)=NN32)cc1,0,0,0,0
CCCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O,0,0,0,1
Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1C,0,0,0,0
Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1,0,0,0,0
COC(=O)c1ccc2oc(C(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)c3ccc(NC(=O)NS(=O)(=O)c4ccc(Cl)cc4)cc3)C(C)C)C(C)C)nc2c1,0,0,1,0
CS(=O)(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
CN(C)c1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3,0,0,0,0
Cc1ncc(CN2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccnc(F)c4)n3)CC2)s1,0,0,0,0
Clc1cc(Cl)c2c(c1)N=C1CCCCCN1C2,0,0,0,0
O=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccc([N+](=O)[O-])c1,1,0,0,0
CCOC(=O)c1oc2c(c1C)-c1nn(Cc3c(F)cccc3Cl)cc1CC2,0,0,0,0
COCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(C)[nH]c1C,0,0,0,0
N#C[C@H](Cc1ccc(-c2ccc3c(c2)NC(=O)CO3)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2,0,0,0,0
COc1ccc(-c2cc3nc(NCCNC(C)=O)n(C)c(=O)c3s2)c(C)c1,0,0,0,0
CCCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0,0,0
COc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1,1,0,0,0
COc1cc(-c2cc3nc(N)nc(N)c3cc2C)cc(OC)c1OC,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccc(Cl)cc12,0,0,1,0
Cc1c(C(=O)O)sc2ncn(C)c(=O)c12,0,0,0,0
C[C@H](CO)Sc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1,0,0,0,0
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2,1,1,0,0
COc1ccc(CN2CCNC(=O)C2CC(=O)N(C)CC2CCOCC2)c(F)c1,1,0,0,0
COc1ccc(CC(=O)NCc2cn3ccsc3n2)cc1,1,0,0,0
CC(C)S(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
Cc1n[nH]c(=O)n1-c1ccc(OCc2ccccc2)cc1,0,1,0,0
COC(=O)c1ccc(-c2noc(CN(C)CC3CCCCO3)n2)cc1,1,0,0,0
CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1,0,0,0,0
CCc1ccc(CN(C)C(=O)c2cc(COc3cccc(C(F)(F)F)c3)on2)nc1,1,0,0,0
N#Cc1ccc(C2Oc3ccccc3C3CC(c4ccccc4)=NN32)cc1,1,0,0,0
Cc1cccc(-n2c(N)cc(=O)[nH]c2=S)c1,0,0,0,0
CC1(C)Cc2c(sc3[nH]c(N/N=C/c4ccccc4)nc(=O)c23)CO1,1,0,0,0
Cn1c(C2CC2)nc2ccc(-n3ccc(OCc4ncc(Cl)cn4)cc3=O)cc21,0,0,0,0
CS(=O)(=O)Nc1cc2c(cc1Sc1ncccc1Cl)C(=O)CC2,0,0,0,0
C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23,0,0,0,0
O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(F)cc1,1,0,0,0
CCCCCC/C=C/c1ccc([C@H]2[C@H]3C=CC[C@@H](C)[C@@H]3C(=O)N2Cc2ccccc2)c(F)c1,0,0,0,0
CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1,0,0,0,1
Cc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(C)ncc3C)cc2)cc1,0,0,0,0
CN(CCO)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,0,0,0,0
CCNC(=O)COC(=O)c1csc2c1CCCC2,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccc(I)cc1,0,0,0,0
COc1cncc(OC)c1C1CCCC(=O)N1Cc1ccc2oc3ccccc3c2c1,0,0,0,0
CS(=O)(=O)c1ccc(Nc2ncnc(N3CCC(c4nc(C5CC5)no4)CC3)c2[N+](=O)[O-])cc1,0,0,0,0
CC(C)Oc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)cc1,1,1,0,0
CCCCOc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)OCCC)cc1,1,0,0,0
Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3nnc(-c4ccccc4)o3)cc12,1,0,0,0
O=C1CCCN=C(NCCCNCC2CCc3ccccc3O2)N1,0,0,0,0
COCCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1=O,0,0,0,0
CC(C)c1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cc1,0,0,0,0
Cn1c2ccncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21,0,0,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCCO,1,0,0,0
NC(Cc1ccccc1)P(=O)(O)C(O)CCc1ccccc1,0,0,0,0
CC(=O)c1ccc2noc(-c3ccc(Cl)cc3)c2c1,0,0,0,0
C[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1,0,0,0,0
C[C@@](O)(c1ccc(C(=O)N(C2CCC(CCC(N)=O)CC2)C2CC2)cc1)C(F)(F)F,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
COc1ccc(CCN=C(N)NS(=O)(=O)c2ccccc2)cc1OC,0,0,0,0
C=CC(=O)Nc1ccc(Cl)c(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)c1,0,0,0,0
Cc1cccc(C)c1NC(=S)N/N=C/c1c(Cl)cccc1Cl,0,0,0,0
Cc1cc(C)n(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn23)n1,1,1,0,0
COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C)c(C)c3)N3CCC[C@@]23C1=O,0,0,0,0
COC(=O)C1(CCSC)NC(c2ccc(O)c(OC)c2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,0,0,0,0
O=C(NNc1c2ccccc2nc2ccccc12)c1ccccc1O,1,0,0,0
CCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
CC(=O)c1ccc(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)cc1,1,1,0,0
Cc1ncn(CC(=O)NCCN)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
CC(C)(C)NC(=O)C(c1ccc(OCC(N)=O)cc1)N(C(=O)c1cccnc1)C1CC1,0,0,0,0
CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(CCO)S(C)(=O)=O)c(C3CC3)cc12,0,0,0,0
O=C1CC(N2CCSCC2)C(=O)N1c1ccc(F)cc1,1,0,0,0
Cn1nc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2c1-c1ccccc1S(=O)(=O)C2,0,0,0,0
Cc1ccccc1Nc1nc(N)nc(CSc2nc3ccccc3s2)n1,1,0,0,0
CC(C)n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2ccccc2c1=O,0,0,0,0
C=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(S(C)(=O)=O)CC5)cc4OC)nc32)c1,0,0,0,0
Cc1ccc(Sc2ccccc2N2CCCNCC2)c(C)c1,0,0,0,0
CC(C)c1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,1,0,0,0
CC(=O)N[C@H]1CC[C@@](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1,0,0,0,0
Cc1nn(CCCC(=O)NCc2cccc(Cl)c2)c(=O)c2c1sc1ccccc12,1,0,0,0
CN1C(=O)C(=CNCCOc2ccc(Cl)cc2)C(=O)N(C)C1=O,1,0,0,0
CCN(CC)c1ncc(-c2ccccc2C)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)n1,0,0,0,0
CCC(=O)N1CCN(c2nc(NC(=O)NCCC(=O)O)nc3sc(CC)cc23)CC1,0,0,0,0
O=C(CNC(=O)c1ccccc1F)OCc1nc2ccccc2s1,0,1,0,0
Cc1nc(OC2CCC(OC3CCN(C(=O)OC(C)(C)C)CC3)CC2)ccc1C(=O)N(C)C,0,0,0,0
NC(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
CS(=O)(=O)N1CCN(C(=O)c2ccncc2)CC1,0,0,0,0
COc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1,0,0,0,1
S=C(NN=Cc1ccccc1Cl)Nc1cccc(Cl)c1Cl,0,0,0,0
CCCCN(C)CCNC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21,0,0,0,0
CC(Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2)co1)C(=O)NCP(=O)(O)O,0,0,0,0
COc1ccc(CN2CCC(c3ccn4nc(C(=O)N5CCN(Cc6ccc(C(F)(F)F)cc6)CC5)cc4c3)CC2)cn1,0,0,0,0
Cc1ccc(Nc2c(-c3ccccc3O)nc3cnccn23)cc1,0,0,0,0
Cc1ccc(NCc2ccccc2O)cc1,0,0,0,0
O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1,1,0,0,0
Cc1cc2cc(CNC(=S)Nc3ccc(OC(F)(F)F)cc3)ccc2[nH]1,1,0,0,0
CC12CCC(=O)CC1CCC1C2CCC2(C)C1CCC2(C)O,0,0,0,0
CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccc(OC)cc1)NC(c1ccccc1)NC3=O,0,0,0,0
CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0,0,0
Cc1cccc(Nc2nnc(SCC(=O)NCc3cccs3)s2)c1,0,1,0,0
COc1cc2ncc3[nH]nc(-c4ccc(C#N)c(Cl)c4)c3c2cc1OC,0,0,0,0
CCNc1nc(N)nc(Oc2ccc(OCCOc3ccc(Cl)cc3Cl)nn2)n1,1,0,0,0
C=CCSC1=NC(=Cc2sccc2C)C(=O)S1,0,0,0,0
CCCCOc1ccc(CN2CCN(CCO)CC2)cc1,0,0,0,0
CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1ccc(NC(N)=O)cc1,0,0,0,0
CC(=O)c1cc2c(s1)CCCC1=C2NN(c2ccc(Cl)cc2)C(=O)C1,0,0,0,1
O=c1oc2ccccc2c(=O)c2ccccc12,0,0,0,0
C=CCC1(C(C)C#CCC)C(=O)NC(=O)N(C)C1=O,0,0,0,0
CCCCSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0,0,0
Cc1nnc(-c2ccc(-c3cc(Cl)c([C@]4(C)CS(=O)(=O)N(C)C(N)=N4)s3)[nH]2)o1,0,0,0,0
NC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1cc(OC2CC2)ccc1N1CCC(Oc2ccc([C@H](C)NC(C)=O)cc2)C1,0,0,0,0
COc1ccc2cc(-c3cccc(-c4nc(SCC(=O)O)n[nH]4)c3)ccc2c1,0,0,0,0
CC(C)(C)C(CN1CCCC1)OC(=O)c1ccccc1,0,0,0,0
Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)NCc1ccc(F)cc1,1,0,0,0
CN1CCc2cc3c(c4c2C1C(O)c1ccccc1-4)OCO3,0,0,0,1
CCCOc1ccc(S(=O)(=O)N2CCN(CP(=O)(O)O)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1,0,0,0,0
CN(C)CC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(F)cn5)n4)c3CO)ncc2c1,0,0,0,0
CCc1ccc(CNCc2cccnc2)cc1,0,0,0,0
Cc1c([C@@H](O)CN2CCCC3(CCCN(C(=O)c4ccc(-n5cnnn5)nc4)C3)C2)ccc2c1COC2=O,0,0,0,0
N#CCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
CCC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1ccc(OC)c(Cl)c1,0,0,0,0
COc1ccc(C2=NNC(=O)C2(C)C)c2sc(C(F)(F)F)nc12,0,0,0,0
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,1,0,0,0
CCSC1=NCCN1S(=O)(=O)c1ccccc1,1,0,0,0
COc1ccccc1CNC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1,1,0,0,0
O=S(=O)(c1ccc(F)cc1)N1CCC(F)(CCc2ccc(F)cc2F)CC1,0,0,0,0
COc1ccccc1NS(=O)(=O)c1ccc(NN=C2CCCC2)c([N+](=O)[O-])c1,1,0,0,0
Cc1ccc(C2=NN3C(=O)c4ccccc4C3C2)cc1,0,1,0,0
COc1ccc(C2=NN(c3ccccc3)C(c3ccc(OC)c(OC)c3)C2)cc1,0,0,0,0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H]1CCCN31,0,0,0,0
Cc1cc2c(c(Oc3cc(F)cc(NS(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O,0,0,0,0
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc(N2CCC(F)(F)C2)cc1,0,0,0,0
CCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
c1ccc(-c2cc3c(N4CCN(c5ncccn5)CC4)ncnc3s2)cc1,0,0,0,0
CCCc1cc(Nc2cccc(OC)c2)n2ncnc2n1,0,0,0,0
CO[C@@H]1CN(C2CCN(C(=O)c3ccc4cnccc4n3)CC2)CC[C@@H]1Cc1ccc(Cl)c(Cl)c1,0,0,0,0
CCOc1ncc([C@@H](C)Nc2nc(N3CCN(C(C)=O)CC3)nc3c2CN(C(C)C)C3=O)cc1F,0,0,0,0
CCCCCC(=O)Oc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC(=O)CCCCC)c(OC(=O)CCCCC)c2)cc1OC(=O)CCCCC,0,0,0,0
Cc1cc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)ncn1,0,0,0,0
O=C1NC(=O)[C@@]2(CC[C@@]34Cc5ccc(O)cc5[C@@]3(CCN(CC3CC3)C4)C2)N1,0,0,0,0
CCn1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(CCN5CCCC5)c4)cc2)CC3)n1,0,0,0,0
Cc1ccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)cc1,0,0,0,0
CCCCCCN(C)C(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
CC1=CC(=O)NC1=O,0,0,1,0
COc1ccccc1OC(C)C(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
CC(=O)Nc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)cn2n1,0,0,0,0
Clc1ccc(Cl)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1,0,0,0,0
COc1ccc(C=C2N=C(C)OC2=O)cc1OC(C)=O,0,0,0,0
Cc1ccc(S(=O)(=O)n2nc(-c3ccco3)nc2N)cc1,0,0,0,0
CCNc1nnc(-c2cnc(N3CCN(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)[C@@H](CC)C3)c(C)n2)o1,0,0,0,0
CNCCCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0,0,0,0
COc1ccc(C2C=CCN(C(=O)C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1,1,0,0,0
c1ccc(CCn2nnnc2CN2CCC(n3nnc4ccccc43)CC2)cc1,0,0,0,0
O=[N+]([O-])c1ccc(N(CCO)Cc2ccccc2)c([N+](=O)[O-])c1,0,0,0,0
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4C)cc3)coc2c1C,1,0,0,0
COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(c1ccc(C)c(F)c1)C(=O)C2,1,0,0,0
CC1CCCC(=Cc2ccc(O)cc2)C1=O,0,0,0,0
Cn1cccc1C(=O)N1CCC2(CC1)CCN(C(c1ccccc1)c1ccccc1)CC2,0,0,0,0
Cc1ccc2[nH]c(-c3cccnc3SCC(=O)N3c4ccccc4CC3C)nc2c1,1,0,0,0
CCOc1ccc(Oc2c(C=NNC(C)=O)c(C)nn2-c2ccccc2)cc1,1,0,0,0
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)c1nccs1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C,0,0,0,1
CCOc1ccc(-c2c(C)sc3[nH]cnc(=O)c23)cc1,0,0,0,0
CCOC(=O)COc1ccc(Br)cc1/C=C\c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-],0,0,0,0
CC(Oc1cc(-c2cc(-c3ccc(CN(C)C)cc3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F,0,0,0,0
O=C(OCc1ccc(F)cc1)c1ccc2ccccc2n1,0,1,0,0
COc1ccc(C)nc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21,0,0,0,0
O=[N+]([O-])c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
COc1ccccc1OCC(=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2,1,0,0,0
CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
Cc1cncnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
NC(=O)c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1,0,0,0,0
CCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1,0,0,0,0
CC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1C,0,0,0,0
O=C(c1c(F)cccc1F)N1CCn2c(cnc2-c2ccc(F)cc2F)C1,0,0,0,0
COc1cc2c(cc1OC)N(Cc1cccc(F)c1)CC1C(c3ccc(F)cc3)NNC21,0,0,0,0
CCOC(=O)Cc1csc(NC(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)n1,1,0,0,0
Cc1ccccc1NS(=O)(=O)c1cccc2nonc12,0,0,0,0
COc1cccc(CNC(=O)c2nc3scc(COCc4ccc(C(=O)O)cc4)c3c(=O)[nH]2)c1,0,0,0,1
COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\S(=O)(=O)c3cccc(Cl)c3)N1CC2,0,0,0,0
Nc1nc(N)c2nc(CNc3ccc(S(=O)(=O)O)cc3)cnc2n1,0,0,0,0
CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,0,0,0,0
COCC(C)n1c(C)cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c1C,0,1,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc([N+](=O)[O-])cc1,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccccc12,0,0,1,0
O=C1NCC2(CCCCC2)c2sc(-c3ncnc4nc[nH]c34)cc21,0,0,0,0
Cc1cc(CC(OC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cc(-c3ccncc3)ccn2)cc2cn[nH]c12,0,0,0,0
c1cn(CCC2CCCc3occc32)cn1,0,0,0,0
COc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)(C)C)cc1,0,0,0,0
c1cc(CN2CCCC2)cc(-c2n[nH]c(-c3ccc4c(c3)OCCO4)n2)c1,0,0,0,0
N[C@H]1C[C@@H](N2Cc3nn4c(C(F)(F)F)ccnc4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
Cc1cc(C(F)F)n2nc(C(=O)Nc3ccc(S(=O)(=O)N4CCCCCC4)cc3)nc2n1,1,0,0,0
[C-]#[N+]CC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CC1CCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)CC1,0,0,0,0
COc1cc(Cl)cc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
O=S(=O)(c1cccc(F)c1)N1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1,0,0,0,0
COc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2ccc(C)s2)C3)CC1,0,0,0,0
c1ccc(C[n+]2ccc3ccccc3c2)c(C[n+]2ccc3ccccc3c2)c1,0,0,0,0
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(OC(F)F)c3)ccc1O[C@H]1CCOC[C@@H]12,0,0,0,0
Cn1c(=O)ccc2cc(COc3cccc(C4(C)CCOCC4)c3)ccc21,0,0,0,0
CC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,0,0,0,0
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N,0,0,0,0
CCCc1cc(=O)nc(SCc2ccc(F)cc2)[nH]1,0,0,0,0
CC(CC1(F)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1)c1ccccc1,0,0,0,0
COc1cccc(F)c1CN1CCC(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)CC1,0,0,0,0
C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCN1CCSCC1,0,0,0,0
O=C(Nc1ccncc1)Nc1ccc(-c2nc(N3CCOCC3)nc(N3C4CCC3COC4)n2)cc1,0,0,0,1
CC(C)(C)C(=O)OCN1c2ccc(-c3csc(C#N)c3)cc2C(C)(C)OC1C(F)(F)F,0,0,0,0
CC1=NN(CCC#N)C(=O)C1=Cc1ccc(N(C)C)cc1,0,0,0,0
CCn1c(Sc2ccc(Nc3c(C#N)cnc4cc(OCCCN5CCC(O)CC5)c(OC)cc34)cc2Cl)nc(C)c1C,0,0,0,0
CCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
CCOc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1ccccc1,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2Cl)cc1,0,0,0,0
COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4nc[nH]c4c3)CC1)O2,0,0,0,0
Cc1ccc(Oc2coc3cc(O)ccc3c2=O)cc1,0,0,0,0
COc1ccc(S(=O)(=O)N2Cc3ncn(C)c3C[C@@H]2C(=O)O)cc1,0,0,0,0
NC(=O)c1cccc2c1C(=O)N(CCCc1ccccc1)C2,0,0,0,0
NS(=O)(=O)c1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,0,0,0,0
CCc1cccc(CC)c1NC(=O)CN1CCN(c2ccccc2)CC1,1,0,0,0
O=S(=O)(O)CCC[n+]1c(CC=Nc2ccccc2)oc2ccc(-c3ccccc3)cc21,1,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccccc2)C=C(c2ccc(Cl)cc2)N3)cc1,0,0,0,0
CCOc1ccccc1N1CCN(C(=O)NC(C)c2ccc(F)c(F)c2)CC1,1,0,0,0
N#Cc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCCS3)cc1,0,0,0,0
Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1Cl,0,0,0,0
COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(c1ccccc1)C(=O)C2,0,0,0,0
C=CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
O=C1C2CCCN2C(c2cccnc2)N1c1cccc(Cl)c1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3)C(C)C2)n[nH]1,0,0,0,0
CN(CCc1ccccc1)c1ccc(C(N)=O)c2ncncc12,0,0,0,0
Fc1ccccc1CNc1ccc(Cl)cc1,0,0,0,0
CCCc1[nH]nc2c1C(c1ccc(OC)cc1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
CN1CCN(Cc2cc(Cl)c3cccnc3c2OC(=O)c2cccs2)CC1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
c1ccc2c(N3CCCCC3)nc(N3CCOCC3)nc2c1,0,0,0,0
Cn1cc(Br)c(C(=O)N/N=C/c2cc3c(cc2Cl)OCO3)n1,0,1,0,0
O=S1(=O)c2ccccc2N(Cc2ccc(Cl)cc2F)c2ccccc21,1,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCCCC2)cc1,0,0,0,0
C[C@H](NC(=O)C1CCC(=O)N1)c1ccc(CN2CCc3cc(OC[C@@H]4CC4(F)F)ccc3C2)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCC4(CNC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=Cc1c(NCCCN2CCCC2=O)c2ccccc2[nH]c1=O,0,0,0,0
CCOc1ccc(N2C(=O)/C(=C\c3cccs3)C(=O)NC2=S)cc1,0,0,0,0
CC(C)=Cc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1,0,0,0,0
CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3OC(F)(F)F)c2C1=O,0,0,0,0
O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCCCC1,0,0,0,0
C[C@@H](O[C@H]1CC[C@@H](N(C)C[C@@H]2CCC(=O)N2C)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
CS(=O)(=O)Nc1cnc2[nH]cc(Cc3ccc(NCc4ccc(Cl)nc4)nc3F)c2c1,0,0,0,0
O=C(OCC(=O)N1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1,0,0,0,0
CC(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)C2CCCCC21,0,0,0,0
CC(C)(O)c1cnc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)s1,0,0,0,0
Cc1ccc(/C=C2\SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1,0,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3cccc(F)c3)ccc21,0,0,0,0
O=C1c2ccccc2C(=Cc2ccc(Br)s2)N1c1ccccc1,0,0,0,0
CO[C@H]1[C@@H](OC)C[C@H](C)CC2=C(NCCN(C)C)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C)C2=O,0,0,0,0
O=[N+]([O-])c1ccc(N2CCOCC2)cc1SCc1ccco1,0,0,0,0
CN1C[C@@H](CO)O[C@@H](n2cnc3c(N4CCOCC4)ncnc32)C1,0,0,0,0
CN(C)C(=O)c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
Oc1ccc(-c2ccccc2)cc1CN1CCCCCC1,0,0,0,0
Cc1nc2ccccc2n1C1C[C@H]2CC[C@@H](C1)N2CCC1(c2ccccc2)CCN(Cc2ccco2)CC1,0,0,0,0
Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CCCC(=O)N1CCN(C2CCCCC2)CC1,1,0,0,0
O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1,0,0,0,0
CC(=O)NC1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1,0,0,0,0
Cc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)c(C)c1,0,0,0,0
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O)C(C)(C)CCC1,0,0,0,0
COC(=O)c1ccc(S(=O)(=O)N2CCN(C)CC2)n1C,0,0,0,0
O=C1NC(=O)N(Cc2cccs2)C(=O)C1=Cc1ccc(N2CCOCC2)cc1,0,0,0,0
COc1ccc([N+](=O)[O-])cc1NC(=O)c1csc(C)c1,0,1,0,0
N#Cc1ccc(-c2ccc(C(=O)N(Cc3ccccc3-c3ccccc3)c3ccc(N4CCNCC4)cc3)o2)cc1,0,0,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCCNCC3)c(Cl)c2)n1,0,0,0,0
CC1(C)[C@H](C(=O)N=C(N)N)[C@H]1c1cccc2c1CCO2,0,0,0,0
COc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1,0,0,0,0
COc1ccc(CCN2C(=O)/C(=C\c3ccco3)SC2=S)cc1OC,0,0,0,0
O=C(OCCNC1=NS(=O)(=O)c2ccccc21)C1CC(=O)N(c2ccc3ccccc3c2)C1,1,0,0,0
O=C(CSCc1ccco1)N1CCc2ccccc21,0,1,0,0
O=C1C(=Cc2cccs2)Sc2ccccc21,0,0,0,0
CCOC(=O)N1CCC(NC(=O)c2cnn3ccccc23)CC1,1,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)c(F)c(N)n2n1,0,0,0,0
Nc1nc(C(F)(F)F)nc2c1nnn2C[C@H]1CCCO1,0,0,0,0
Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)N(C)O)c(F)c2)no1,0,0,0,0
O=S(=O)(c1cc(F)cc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
O=C1COc2ccc(N3C(=O)C=CC3=O)cc2N1,0,0,0,0
CNC(=S)NNC(=O)c1cccn(Cc2cccc(Cl)c2)c1=O,0,0,0,0
Cc1ccc(C=C2Oc3cc(OCC(=O)NN)ccc3C2=O)o1,0,0,0,0
CCC12CN3CC(CC)(CN(C1)C3c1ccccc1Cl)C2O,0,0,0,0
Clc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1,0,0,0,0
NC(=O)C(=O)N/N=C1\CCc2ccccc21,0,1,0,0
NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccccc2)CCN1)[C@H]1CCCc2cccnc21,0,0,0,0
CN(Cc1cccc(-c2cnc(N3CCOCC3)nc2)c1)C(=O)CN,0,0,0,0
COc1cccc(-c2ccc(/C=C3\SC(=S)N([C@@H](Cc4ccccc4)C(=O)O)C3=O)cn2)c1OC,0,0,0,0
CNC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1,0,0,0,0
CCN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12,0,0,0,0
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](OC(=O)NN)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,0,0,0,0
CCCS(=O)(=O)N1CCC(N2CCC(Oc3ccc(S(=O)(=O)c4ccc(OC)cc4)cc3)CC2)CC1,0,0,0,0
Cc1cnc(-c2cc(Oc3ccc4c(c3)nc(Nc3cc(C(F)(F)F)ccc3F)n4C)ccn2)[nH]1,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N(c1ccccc1)C1C=CS(=O)(=O)C1,0,0,0,0
CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
COC(=O)c1ccc(Cn2c(=O)nc(Nc3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)cc1,0,0,0,0
CCC1(C)SC(=NC23CC4CC(CC2C4)C3)NC1=O,0,0,0,0
O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc2c(c1)OCO2,1,0,0,0
CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccccc3[nH]2)c1,1,0,0,0
Cn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
COc1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)c(OC)n1,0,0,0,0
O=C(c1nnc(-c2ccccc2)o1)N1CC(Oc2ccc(CN3CC4(CCCO4)C3)cc2)C1,0,0,0,0
CN1C(=O)C(c2cncnc2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N,0,0,0,0
COc1ccc(-c2csc(N(C)C(=O)c3cccs3)n2)cc1,0,1,0,0
CC(C)c1ccc(/C=C/c2nc(NCCN(C)C)c3cc(F)ccc3n2)cc1,0,0,1,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccc(OC)cc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
CCN(CC)CCCCC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,0,0,0,0
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](Cc1ccccc1)P(=O)(O)C[C@@H](Cc1ccccc1)C(=O)O,0,0,0,0
Nc1nc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)cc(N2CCOCC2)n1,0,0,0,0
C[C@H]1CN2CCN(Cc3ccccc3Cl)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
Cc1nn(-c2ccccc2)c(Cl)c1C=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,1,0,0,0
CC(C)(C)c1ccc(Cn2cccc(/C=C/C(=O)NO)c2=O)cc1,0,0,0,1
Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5cccc(F)c5F)CC4)cc3)cccc2s1,0,0,0,0
CCOC(=O)c1sc2nc(-c3ccccc3)ccc2c1N,1,1,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cl)c(Cl)c2)c1)C(F)(F)F,0,0,0,0
O=c1nc2n(c3ccc(Br)cc13)CCS2,0,0,0,0
CC(C)c1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1,0,1,0,0
CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(Cl)c(Cl)c4)C3)n2)c1,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COC)cc2Cl)cc1,0,0,0,0
CCN(CC)CCCn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O,0,0,0,0
CCOc1ccc(C#Cc2ccc(CC(C)NC(=O)C3CNC(=O)C3)cc2)cc1,0,0,0,0
CN(C)C(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Oc1nc(/C(Cl)=C/c2c(F)cccc2Cl)nc2cc(Cl)ccc12,1,0,0,0
CCOC(=O)c1sc2ncnc(N3CCN(CC)CC3)c2c1C,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(C)(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccccc1C,0,0,0,0
O=c1cc(COc2ccc3ccccc3c2)occ1O,0,0,0,0
Nc1ncc(S(=O)(=O)NCc2ccc(F)cc2)cn1,0,0,0,0
COc1ccccc1C=CC=NNC(=O)c1cc(-c2ccco2)n[nH]1,1,0,0,0
O=C1C(O)=CC(=Nc2ccccc2O)c2ccccc21,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O,0,0,0,0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c2c1,0,1,0,0
Cc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c(C)c1,0,0,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCn5ncnc5C4)ncn3)c2c1,0,0,0,0
CC(=O)c1cccc(CN2CCN(CC(C)C)C(CCO)C2)c1,0,0,0,0
CC(=O)Nc1cc(=O)c2cccnc2[nH]1,0,0,0,1
CCCn1c(NCc2cccs2)nc2ccccc21,0,0,0,0
C=CCC1(O)C(=O)Nc2ccccc21,0,0,0,0
CC1CCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)CC1,1,0,0,0
CC(=O)NCCOC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
CN(C)[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cl.N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(F)cc2)o1,0,0,0,0
CCCn1cc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(OC(F)(F)F)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
CCN(CC)c1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CSC2(C)CCC(=O)N12,1,0,0,0
Cc1c2c(n3c1CC(=O)N(CCN(C)C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3ccccc3OC(F)(F)F)n[nH]2)c1,0,0,0,0
O=C1CN(C(=O)COC(=O)/C=C/c2ccc(OC(F)F)cc2)c2ccccc2N1,1,0,0,0
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ncc(C(F)(F)F)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1,0,0,0,0
O=c1oc2cc(OCc3ccccc3)ccc2c2ccccc12,0,0,0,0
COc1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1,0,0,0,0
COc1cc(NC(=O)COC(=O)c2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)c(C)cc1[N+](=O)[O-],1,0,0,0
COCCCNC(=O)C(CSCc1ccccc1)N1Cc2ccccc2C1=O,1,0,0,0
Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CC(C)C2,0,0,0,0
N#C[C@@H]1CCCCC1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CC(F)(F)F)cc2)n1,0,0,0,0
CC1(C)SC2c3ccccc3C(=O)N2C1C(=O)O,0,0,0,0
COc1nc(N)nc(N)c1NS(=O)(=O)c1ccc(C)cc1,1,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(F)cc2)C1c1ccc(C)cc1,0,0,0,0
Cc1nnc2c(Cl)cc(-c3cn(C)nc3Cc3ccccc3)nn12,0,0,0,0
CCOc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1,1,0,0,0
Cc1cc(OCCOCCN2CCCC2)ccc1C(C)C,0,0,0,0
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(N)=O,0,0,1,0
CSc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1,1,0,0,0
Cc1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(Cl)c1,0,0,0,0
O=C(OCC(=O)c1ccccc1Br)c1ccncc1,0,1,0,0
CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)O1,0,0,0,0
CCN(C)C(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
CNC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
CN=C(NC#N)NCCSCc1csc(NC(=N)N)n1,0,0,0,0
COc1cc(-c2ccc3ncc(C(=O)C(C)C)c(NC4CCC(CN(C)C)CC4)c3c2)cc(Cl)c1O,0,0,0,0
O=c1nc(CSc2nc3ccccc3s2)[nH]c2ccccc12,0,0,0,0
COc1ccccc1CCc1nnc(CCC(=O)NCCC2CC3C=CC2C3)o1,1,0,0,0
O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)c1ccc2c(c1)OCCO2,0,1,0,0
Nc1nnnn1CC(=O)NN=Cc1cc([N+](=O)[O-])ccc1O,1,0,0,0
COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,1,0,0,0
CCOC(CNC(=O)c1ccc2nc(N3CCC(C)CC3)sc2c1)OCC,1,1,0,0
CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1ccn2c(CNCc3cnn(C)c3)c(C(=O)N3CCCCCC3)nc2c1,0,0,0,0
CCC[C@H](C(N)=O)[C@@H](CC(C)C)C(=O)N[C@H]1CCCCN(Cc2cccc(Nc3ccc4c(c3)OCO4)c2)C1=O,0,0,0,0
CCOC(=O)c1ccc(CSc2nnc3cc(C)c4ccccc4n23)cc1,1,0,0,0
O=NC(=O)/C=C/c1ccc2c(O)n(Cc3ccc(CO)cc3)c(O)c2c1,0,0,0,1
Cc1cccc(-c2cc(N)n(-c3ccccc3)n2)c1,0,1,0,0
CCCn1nc2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)cnc3OCCOC)nc2c1CC,0,0,0,0
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(C2CCC2)C2=C1C(=O)CC(C)(C)C2,0,0,0,0
COc1ccc(C2=Nn3c(nnc3-c3ccccc3C(F)(F)F)SC2)cc1OC1CCOC1,0,0,0,0
Cc1c2cnn(-c3ccccc3)c(=O)c2c(C)n1CC(=O)N1CCN(c2cccc(Cl)c2)CC1,1,0,0,0
Cc1ccc(Cc2nc(-c3cccnc3)no2)cc1,0,0,0,0
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO,0,0,0,0
Cc1noc(C)c1-c1cc(N(C)C)ncn1,0,0,0,0
NCCCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
COCCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,0,0,0,0
COc1cc2c(cc1OC)C(c1ccccc1)CC2=O,0,0,0,0
c1cc(-c2cnc3c(c2)C[C@@]2(CN4CCC2CC4)O3)co1,0,0,0,0
Cc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1,0,1,0,0
CCOc1noc2c1CNCCC2,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(F)c3)c12,0,0,0,0
Cc1nc(C)c(-c2ccc(C34CCC(Cc5nn[nH]n5)(CC3)CC4)cc2)nc1C(N)=O,0,0,0,0
COC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1,0,1,0,0
Cc1cc(OC(=O)c2ccco2)c2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1nc(-c2ccccc2C)oc1C,0,0,0,0
CN(Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)c1ccc2c3c(cccc13)C(N)=N2,0,0,0,0
Cc1ccc2cc(C)c3nnc(SCc4ccc(C(=O)O)cc4)n3c2c1C,0,0,0,0
O=C(CCN1CCOCC1)c1ccc(F)cc1,0,0,1,0
CCOC/C=C/c1ccc(-c2ncc(-c3ccc(N4CCOCC4)cc3)[nH]2)cc1,0,0,0,0
O=C(O)c1c2c(nc3ccc(F)cc13)-c1ccc(-c3nccs3)cc1CC2,0,0,0,0
COc1cccc2cc(CC(=O)c3ccccc3)c(=O)oc12,0,1,0,0
CC(=O)N1CCN=C1SCc1ccc(C)cc1,0,0,0,0
CC(C)(C)NC(=O)C1(N2C(=O)c3ccccc3C2=O)CCCC1,0,0,0,0
CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@H](O)c2sc(C(N)=O)nc2-3)C1=O,0,0,0,0
COC(=O)c1sccc1NC(=S)Nc1cc(C)cc(C)c1,0,0,0,0
CC(C)(C)C1C=C(C(=O)NC2CC2)OC(OCc2ccc(CO)cc2)C1,1,0,0,0
CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCN(C(N)=O)CC1,0,0,0,0
N#Cc1ccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1,0,0,0,0
CC(C)(c1ccc(Nc2nn([C@@H]3CC[C@](C)(O)C[C@H]3C#N)cc2C(N)=O)cc1)C(O)C(F)(F)F,0,0,0,0
Cn1cc(Nc2ncc(C3CC3)c(NCCCNC(=O)C3CCC3)n2)cn1,0,0,0,1
NS(=O)(=O)c1ccc(NCc2ccccc2)cc1,0,0,0,0
OCCCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
C=c1cccc/c1=C1/NC(c2ccc(NC(=O)c3ccc(Br)o3)cc2)=NO1,1,0,0,0
COc1ccc(C(NC(C)=O)c2cc(Cl)c3cccnc3c2O)cc1OC,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cn(CC(C)(C)C)nn2)CC1,0,0,0,0
COc1ccc2c3c1O[C@H]1C(=O)CC[C@H]4[C@@H](C2)N(C)CC[C@]314,0,0,0,0
Cn1c2c(c3cc(S(=O)(=O)c4cccc(OCc5ccncc5)c4)ccc31)C1CCC(C2)N1,0,0,0,0
Cc1c([C@@H](O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)C3(CCCC3)C2)ccc2c1COC2=O,0,0,0,0
COc1cc(C(C)C)c2c(=O)oc(-c3cccnc3N3CCC(C(=O)O)CC3)nc2c1,0,0,0,0
CNc1ccc(-c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2-c2ccc(NC)cc2)cc1,0,0,0,0
Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1)CCC3,0,0,0,0
CC(C)C[C@H](NC(=O)N1CCC(C(=O)N2CCOCC2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,0,0,1,0
CC1=C2CCc3cc(OCc4ccc(C(F)(F)F)cc4)ccc3N2CCC1=O,0,0,0,0
O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F,0,0,0,0
c1ccc2c(N3CCNCC3)nc(-c3ccoc3)nc2c1,0,0,0,0
CN(Cc1cn(C)nc1-c1ccccc1F)C1CCOC1,0,0,0,0
CCCCN1C(=O)C(CC(C)C)NC(=O)C12CCN(Cc1ccc3c(c1)OCCO3)CC2,0,0,0,0
CN1C(=O)/C(=C2\SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)c2ccccc21,0,0,0,0
CSc1ccc(-c2ccccc2COc2ccc(CCC(=O)O)cc2)cc1,0,0,0,0
CC(C)c1cc(-c2nn(COC(=O)C(NC(=O)OC(C)(C)C)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O,0,0,0,0
COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1Cl,1,0,0,0
COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,1,0,0,0
O=C(c1ccccc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1,0,0,0,0
CC1(C)OC[C@H](COc2ccc3c(c2)C(=O)c2ccc(Nc4ccccc4N)cc2CC3)O1,0,0,0,0
O=S(=O)(c1ccc2c(c1)OCCO2)N(Cc1ccc(F)cc1)Cc1nnc(-c2cccs2)o1,0,0,0,0
Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3[nH]c(O)nc3c2)c1,1,0,0,0
COc1cccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)c1,0,0,0,0
COc1cccc(COc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)n1,0,0,0,0
CCCOc1cccc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,1,0,0,0
c1ccc(CN(Cc2ccco2)C(c2ccncc2)c2nnnn2C2CCCC2)cc1,0,0,0,0
NC1CCC(Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1,0,0,0,1
CC(C)(O)C(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,0,0,0,0
CN1CCCN(c2ccc(Nc3nc(NCc4cccc(NC(=O)CCl)c4)n4ccnc4c3C(N)=O)cc2)CC1,0,0,1,0
COc1ccc(CNC(=O)/C(C#N)=C2\N=C(NC(=O)c3cccs3)c3ccccc32)cc1,1,0,0,0
O=C1NC2(CCN(S(=O)(=O)CCc3cccc4ccccc34)CC2)C(=O)N1Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
Cc1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0,0,0,0
CCN(CC)CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0,0,0
O=C(O)c1cc2ccccc2c(Cc2c(O)c(C(=O)O)cc3ccccc23)c1O,0,0,0,0
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2Cl)ccc1C,0,1,0,0
CCOC(=O)CNC=C(C(C)=O)C(=O)Nc1nccs1,0,0,0,0
NC(=O)c1cc(OCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
COC(=O)CCn1nnnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N,0,0,0,0
N#Cc1cncc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)c1,0,0,0,0
O=C1C2CC2C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,0,0,0,0
O=C(CCCCCCNC(=O)c1ccc(N(c2ccccc2)c2ccccn2)cc1)NO,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(C(C)C)cc2)nc2ccccc12,0,0,1,0
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(-c4ccco4)nn3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
Cc1cc(S(=O)(=O)N2CC[C@@H](F)[C@@H]2c2ccc(F)cc2)cc(C)c1F,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccc(F)cc5F)nc(N)n4)c3c2)cn1,0,0,0,0
O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2nccs2)CC1,0,0,0,0
CC(C)NC(=O)N1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1,0,0,0,0
COc1ccc2occ3c2c1[C@H](CN)CC3,0,0,0,0
NNC(=O)c1ccc(N2CCC(c3noc4ccc(F)cc34)CC2)nn1,0,0,0,0
Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cc(Br)cs2)C3)CC1,0,0,0,0
CCNc1nc(=S)nc(NC(C)C)[nH]1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(Br)cc3)CC21,0,1,0,0
COc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
NC(=O)C[C@@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O,0,0,0,0
Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1,0,0,0,0
CN1CCN(c2ncc3nc(-c4cccc(C#N)c4)c(=O)n(CCc4ccccc4)c3n2)CC1,1,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C#N)C3)c2cc1OC,0,0,0,0
Cc1nnc(SCCC(=O)Nc2nc(-c3ccccc3)ns2)s1,1,0,0,0
Cc1ccc(S(=O)(=O)NC2CCC(CCN3CCC(c4coc5ccccc45)CC3)CC2)cc1,0,0,0,0
COC1CC2CC1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(N2CCC(F)(F)C2)n1,0,0,0,0
Cc1oc(-c2ccccc2Cl)nc1CS(=O)(=O)CC(=O)NC(C)CCc1ccccc1,1,0,0,0
COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)C(=CC(C)C(=O)NCCc2c[nH]c3ccccc23)c2cccnc2)cc1,1,0,0,0
CC(Nc1nc(Nc2cn(C)cn2)c2cccnc2n1)c1ncc(F)cn1,0,0,0,0
C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccccc2)nc(SCc2ccccc2)n1,0,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2F)cc1,0,0,0,0
O=C(Oc1c(Br)cc(C(=S)N2CCOCC2)cc1Br)c1ccc(Cl)cc1,1,0,0,0
COc1ccc2c(CC(=O)O)c(C(=O)c3cc(C)ccn3)[nH]c2c1,0,0,0,0
Oc1cc(NCc2cccnc2)ccc1-c1nc2ccccc2o1,0,1,0,0
CN(C)C(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,0,0,0,0
COc1ccc(CCN2C(=O)NC(=O)C(=CNCCCn3ccnc3)C2=O)cc1OC,0,0,0,0
CC[C@@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1,0,0,0,0
COc1ccccc1Oc1coc2c(CN(C)C)c(O)ccc2c1=O,0,0,0,0
O=C(O)c1ccc(Cn2ccc3ccccc32)o1,0,0,0,0
CCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,0,0,0,0
Cc1n(C)c2cc(Cl)ccc2[n+]1Cc1ccccc1,0,0,0,0
COc1ccc2[nH]c3c(c2c1)CC1c2cc(OCc4ccccc4)c(OC)cc2CCN1C3,0,0,0,0
Cc1ccccc1Nc1sc(C(=O)c2ccc3c(c2)OCO3)c(N)c1S(=O)(=O)c1ccccc1,1,0,0,0
COCc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(I)cc1,0,0,0,0
CCn1ccc(C(=O)Nc2ccc3c(c2)CCC3)n1,0,1,0,0
Nc1nccc(-c2ccc3nc(C4COc5ccccc5C4)sc3c2)n1,0,0,0,0
COc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCc3ccco3)c2=O)CCC4)c(OC)c1,1,0,0,0
CCn1c(C)cc(C=C2NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C,1,0,0,0
Cc1cc(C(=O)N[C@H]2CCCCNC(=O)CC[C@@H](C=O)NC(=O)[C@H](Cc3ccc(F)cc3)NC2=O)no1,0,0,1,0
CNS(=O)(=O)c1cnc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1,0,0,0,0
C=CCOC(=O)[C@@H]1CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)N1,0,0,0,0
O=c1[nH]cnc2nn(-c3ccccc3)nc12,0,1,0,0
CCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
COc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(C)cc2)N3C)cc1,0,0,0,0
CC(=O)OC1CCC(C)C2(C)C(OC(C)=O)c3c(C)coc3C(=O)C12,0,0,0,0
C=CCOc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)cc1,0,0,0,0
CCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1,0,0,0,0
Cc1cc(COc2ccccc2OCCN2CCN(C)CC2)no1,0,0,0,0
O=C(CSc1nc2ccc(Cl)cc2[nH]1)c1ccc2c(c1)OCO2,1,0,0,0
CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1,0,0,0,0
COCCn1cc(Nc2cc(-n3ncc4cc(Cl)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
CC(C)c1ccc(NC(=O)c2cccnc2)cc1,0,1,0,0
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCC(c5ncc[nH]5)CC4)c23)c1,0,0,0,0
Cc1c(C(=O)NCC#CCN)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
CCc1nnc2c(Nc3cccc(C(C)=O)c3)nc3ccccc3n12,0,0,0,0
COc1cncc(-c2cc3c(N[C@H]4CC[C@@](C)(N)C4(C)C)c(C(N)=O)cnn3c2)c1,0,0,0,0
Nc1ccc2c(Nc3cccc(Br)c3)ncnc2n1,0,0,0,0
Cc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1,0,0,0,0
CCOC(=O)c1cnc(NCc2ccccc2OC)c2ccccc12,0,0,0,0
Cc1cccc2c1N(C)CC(C1=NCCN1)O2,0,0,0,0
Cc1cccc(NNC=C2C=CC(O)=C(O)C2=O)c1,1,0,0,0
COc1ccc(OC)c(-c2nc(CN3CCCCC3c3cccnc3)c(C)o2)c1,1,0,0,0
COCCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2C1c1ccc(F)cc1,0,0,0,0
CCOC(=O)CSc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1,0,0,0,0
COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(c1cccc(C#N)c1)C(=O)C2,0,0,0,0
CC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0,0,0
CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1CCC(F)(F)F,0,0,0,0
O=C(Nc1ccccc1-c1nnc(SCc2ccccc2Cl)o1)c1ccccc1,1,0,0,0
O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)c(F)c3)CC2)C(=O)N1,0,0,0,0
O=Cc1ccc2c(n1)N(C(=O)Nc1ccc(C(F)(F)F)cn1)CCC2,0,0,1,0
CCN1C(=O)NC(=O)/C(=C/NCCc2c[nH]c3ccccc23)C1=O,0,0,0,0
CN1CCN(c2ccc(Nc3cc(-c4cccc(N5CCn6c(cc7c6CCCC7)C5=O)c4CO)nn(C)c3=O)nc2)CC1,0,0,0,0
CCCCCCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Cl,0,0,0,0
COCCOc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1,0,0,0,0
O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(Cc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,0,0,0,0
CC(C)COc1ccc(C(=O)Nc2onc3c2CCCC3)cc1,0,1,0,0
Cc1cccc(-n2c(O)c(C=NC34CN5CN(CN(C5)C3)C4)c(=O)[nH]c2=O)c1,0,0,0,0
CC(=O)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1,0,0,1,0
CC(C)(C)C(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1,0,0,0,0
Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(C)c(C)c2)cc1,1,0,0,0
COc1ccc(Cn2nnnc2C(c2cc3cccc(C)c3[nH]c2=O)N2CCN(C)CC2)cc1,0,0,0,0
CC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1,0,0,0,0
COc1ccc(CNC2=NC(=O)CC(C(=O)Nc3ccc(Cl)cc3)S2)cc1,0,0,0,0
CCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12,0,0,0,0
O=C(c1ccc2c(c1)ncn2C1CCCCCC1)N1CCC2(CC1)OCCO2,0,0,0,0
COc1ccc(CCNc2nc3nn(C)cc3c3nc(-c4ccco4)nn23)cc1OC,0,0,0,0
O=C1NC2(CCCc3ccccc32)C(=O)N1CCOc1ccc(Br)cc1,0,0,0,0
COc1ccc(C(=S)N2CCOCC2)cc1OS(=O)(=O)c1ccc(Br)cc1,0,0,0,0
O=C(NC1CC1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0,0,1
COC(=O)C(Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1,0,0,0,0
O=C(c1ccco1)N1CCN(C(=O)C2CCCO2)CC1,0,0,0,0
Cc1ccc(-c2nc(C(Cl)Cl)c3ccccc3n2)cc1,0,1,0,0
N[C@@H](CC(=O)Nc1ccc2c(c1)Cc1cc(C(F)(F)F)ccc1-2)C(=O)O,0,0,0,0
COc1ccc(-c2ccc(C(=O)O)cc2OC)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
Cc1ccc(-n2c(=O)c(Cc3ccccc3)c(O)[n+]3nc(-c4ccccc4)ccc23)cc1,0,0,0,0
Cc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1,0,0,0,0
COc1ccc(-n2cc(CN(C)CCO)c(-c3cccc(F)c3)n2)cc1,0,1,0,0
COc1ccc(Br)cc1C1C2C=CCCC2(C)C(=O)N1Cc1ccccc1,1,0,0,0
CCCCNC(=O)CSc1nc(CCC)nc2ccccc12,0,0,0,0
c1ccc2c(-c3nnc(SCc4cn5ccccc5n4)o3)c[nH]c2c1,0,0,0,0
Nc1ccc(S(=O)(=O)c2ccc3oc4c(c3c2)CNCC4)cc1,0,0,0,0
CC(c1ccc2cc(CCn3ncc4c3nc(N)n3nc(-c5ccco5)nc43)ccc2n1)N1CCOCC1,0,0,0,0
c1ccc2c(c1)ccc1ncccc12,0,0,0,0
Brc1ccc(-c2csc(N3CCCCCC3)n2)cc1,0,1,0,0
O=S(=O)(NCc1ccco1)c1cnc(Cl)c(Br)c1,0,0,0,0
COc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1,0,1,0,0
CC1CCC(C(C)C)C(OC(=O)CSc2nc(N)cc(O)n2)C1,1,0,0,0
CC(C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(F)cc4)n3)c2)CCOCC1,0,0,0,0
CCOC(=O)c1ccc(N=C2C=C(O)C(=O)c3ccccc32)cc1,0,0,0,0
CC(C)C(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@H](C)NC[C@H]1CN1CCCC1=O,0,0,0,0
COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3F)c2=O)cc1OC,0,0,0,0
Cc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1,0,0,0,0
CC(=O)Nc1nn(-c2ccccc2)c(=S)[nH]1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,1,0,0,0
COc1cc2c(cc1NC(=O)C1CCCO1)oc1ccccc12,0,1,0,0
CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,0,0,0,0
CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2F)cn1)C(=O)O,0,0,0,0
Cc1ccccc1Nc1nc(N)c2ccccc2n1,0,1,0,0
COc1ccc(-c2nn(C)c(=O)c3ccccc23)cc1NC(=O)COc1ccccc1,1,0,0,0
CCOC(=O)c1cnc(SC2CC(=O)N(c3ccccc3)C2=O)nc1N,0,0,0,0
COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CCCC1,0,0,0,0
O=S(=O)(NCC1COc2ccccc2O1)c1ccc2ccccc2c1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)F)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1cc([C@H](Nc2ccc(C)c(CN3CCC(C)(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl,0,0,0,0
N=C(N)c1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C[C@H]2C(N)=O)c1,0,0,0,0
CCOC(=O)CCSc1nc(C)c2cc(C)c(C)cc2n1,0,0,0,0
Cn1c(-c2ccccc2F)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O,0,0,0,0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C(\C)C(=O)O)ccc3OC(F)(F)F)cc21,0,0,0,0
CO[C@@H]1CN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)[C@H]1C,0,0,0,0
Cc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1C,0,1,0,0
CCC(C)Nc1nc(-c2cccc(OC)c2O)nc2ccccc12,0,0,0,0
CN(c1ccccc1)[C@@H](c1cccc(F)c1)[C@H](O)CN,0,0,0,0
COc1ccc(S(=O)(=O)c2ccccc2)c(Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)c1,0,0,0,0
C=CCN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,0,0,0,0
C=CCNc1nc2cc(-c3ccc(C(=O)NCCCN(C)C)cc3)sc2c(=O)n1C,0,0,0,0
CCCCN(Cc1ccccn1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
Clc1ccc(OCc2nc3c(OCCC4CCCNC4)cccc3n2CCCC2CCCNC2)cc1,0,0,0,0
COc1cccc(C)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN(CCC#N)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(F)c3)N2)cc1,0,0,0,0
C#Cc1ccc(C2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)OC(OCCCCO)C2)cc1,1,0,0,0
O=C(O)Cc1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0,0,0,1
CS(=O)(=O)NCCC(=O)N1CCC(c2cc(C(=O)N3CCC[C@H]4CCCC[C@H]43)cs2)CC1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)CC1,0,0,0,0
CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cn1)C(=O)O,0,0,0,0
CC1CCc2[nH]c3ccc(C(=O)NCC4CCCO4)cc3c2C1,0,1,0,0
COCCOc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC)cc1,0,0,0,0
COC[C@H](C)n1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(N3CCOC[C@@H]3C)cc21,0,0,0,0
O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1N1CCCCC1,0,0,0,0
O=C1CC(SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1cccc2ccccc12,0,0,0,0
COc1ccc(-c2cc(OCCCCCCc3cccc(OCCCC(=O)O)c3CCC(=O)O)cc(-c3ccc(OC)cc3)c2)cc1,0,0,0,0
COc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC,1,0,0,0
CNC(=O)COc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CCOC(=O)N1CCC[C@H]2[C@H](/C=C/c3ccc(-c4ccccc4C)cn3)[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]21,0,0,0,0
CS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1,0,0,0,0
O=c1c2oc3ccccc3c2n(Cc2ccccc2)c(=O)n1Cc1ccc2c(c1)OCO2,0,0,0,0
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N(C)C)nc3)ncc2[S+](C)[O-])c1,0,0,1,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(OC)c3)CC2)n[nH]1,0,0,0,0
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](OC)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CC(=O)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3ccccc3C(F)(F)F)c2)on1,0,0,0,0
CNc1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1,0,0,0,0
FC(F)(F)c1ccc(Cl)c(-n2c(-c3ccco3)n[nH]c2=S)c1,0,0,0,0
O=C1NC(c2ccc(O)cc2F)c2c[nH]c3nccc(c23)-c2ccccc21,0,0,0,0
CC(=O)c1cccc(Nc2c3c(nc4nc(-c5cccs5)nn24)CCCC3)c1,0,0,0,0
NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccsc3)cn2CCN2CCC2)CC1,0,0,0,0
c1cc2c3cnc(Nc4ccc(N5CCNCC5)cn4)cc3n(Cc3ccsc3)c2cn1,0,0,0,0
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(=O)(=O)N3CCC3)C2)cn1,0,0,0,0
COc1cc(/C=N/N2C(=O)CSC2=S)ccc1O,0,0,0,0
Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1C,0,0,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCOC,1,0,0,0
Cc1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)cc1,1,0,0,0
O=C(Nc1ccc(Cl)cn1)Nc1ccccc1F,1,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccccc2C#N)c2ccccc2OC12CCOCC2,0,0,0,0
O=C(OCc1ccccc1Cl)c1ccc(-c2nnn(Cc3ccccc3)n2)cc1,0,0,0,0
CN(C)CCc1cccc2[nH]c(-c3nnn(CCc4ccc(Cl)cc4)n3)cc12,0,0,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)c(NC)n2)ccc1C,0,0,1,0
Cc1cnc(Nc2nc(N[C@@H](C)c3ncc(F)cn3)nc(N3CCOCC3)c2F)s1,0,0,0,0
COc1c(C)c2c(c(N)c1C/C=C1\CCCC1[C@H](C)C(=O)O)C(=O)OC2,0,0,0,0
CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2F)cn1)C(=O)O,0,0,0,0
CN(C)CC#Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,0,0,0,0
N#CC(=Cc1ccc(-c2ccc(F)cc2)o1)C(=O)c1c[nH]c2ccccc12,0,0,1,0
CC(C)CCn1nc2c(cc1=O)CCNCC2,0,0,0,0
N#Cc1nc(-c2ccc(OCC3CCNCC3)c(C(F)(F)F)c2)c2ccn(CC3CCOC3)c2n1,0,0,0,0
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C)c1C,1,0,0,0
CC(C)(C)N1CC(C(=O)Nc2ccc(C(N)=O)cc2)CC1=O,0,0,0,0
Cc1cc2nc(N=C(N)N)nc(C)c2cc1C,0,0,0,0
COc1cc(/C=C2\CCOC2=O)cc(OC)c1OC,0,0,0,0
CC(=NNC(=S)Nc1c(C)cccc1C)c1ccc(O)cc1,0,0,0,0
NS(=O)(=O)c1ccc(NC(=S)Nc2ccn(Cc3cccc4ccccc34)n2)cc1,0,0,0,0
O=c1oc2ccccc2n1CCCOc1ccccc1Cl,0,1,0,0
COc1ccc(-c2c[nH]nc2-c2ccc(OC)cc2O)cc1,0,0,0,0
COc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0,0,0,0
Fc1cccc(COc2cncc(-c3ccnc4[nH]c(C5CCNCC5)cc34)n2)c1,0,0,0,0
CCc1ccc(C(=O)COC(=O)c2ccccc2OC)cc1,0,1,0,0
O=C1/C(=C/N(C(=O)c2ccco2)c2ccc(Cl)cc2)Sc2ccccc21,1,1,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3ccc(Cl)cc3c2=O)cc1,0,0,0,0
CSc1ccc(C=NNC(=O)COc2ccc(Cl)cc2Br)cc1,1,0,0,0
CC1C2=CC(=O)CCC2(C)C2CCC3(C)C(=O)CCC3C12,0,0,0,0
O=C(c1cn(Cc2cnc[nH]2)cc1-c1cccc2ccccc12)N1CCOCC1,0,0,0,0
Cc1nc(-c2cccc(CN3C(=O)CCCC3c3cccc4c3OCCO4)c2)cs1,0,0,0,0
O=C(c1cc(-c2c(O)c([N+](=O)[O-])cc(F)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O)C1CCc2ccccc21,0,0,0,0
COc1nc(N=C(N)N)nc2c(C)cccc12,0,0,0,0
O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1,1,0,0,0
COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNC(C(F)(F)F)C3)cc2)c(=O)n4C)cn1,0,0,0,0
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(CNCCOC)c1,0,0,0,0
COc1cccc(Cl)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
COc1cc2c(cc1OC)C(=S)NC1(CCCC1)C2,0,0,0,0
N#Cc1ccc2c3c([nH]c2c1)-c1ccc(-c2cccnc2)cc1C3=O,0,0,0,0
COc1cc(CCCN2C(=S)NCC2CCCCN)cc(OC)c1OC,0,0,0,0
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C,1,0,0,0
COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccccc4F)C[C@H]3C)nc21,0,0,0,0
CCCCC#Cc1nc(N)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1,0,0,0,0
COc1cc2nncc(-c3cnc(N[C@@H](C)Cc4ccccn4)c(C)c3)c2cc1OC,0,0,0,0
O=C(O)c1ccc(-c2ccc(-c3ccccc3)cc2)o1,0,0,0,0
Cc1sc2nc(C3CC3)nc(SCC(=O)N3c4ccccc4CC3C)c2c1C,1,0,0,0
Cc1cc(C(=O)N2CCOCC2)[nH]c1/C=C1\C(=O)Nc2ncnc(Nc3ccc4c(ccn4Cc4ccccc4)c3)c21,0,0,0,0
NC(N)=NCCC[C@H](NC(=O)[C@H](Cc1cccnc1)NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1,0,0,1,0
c1ccc2c(-n3cnnn3)cccc2c1,0,0,0,0
O=C(O)[C@@H]1CCCN1C(=O)c1ccco1,0,0,0,0
CCOc1cc(C)c(Cl)cc1S(=O)(=O)n1cnc2ccccc21,1,0,0,0
Cc1ccc(CC2C(=O)N(CC(=O)O)C(=O)C2C)cc1,0,0,0,0
S=c1[nH]nc(-c2cc(Cl)cc(Cl)c2)[nH]1,0,0,0,0
O=c1cc(O)n(-c2ccc(F)cc2)c(=S)[nH]1,0,0,0,0
O=c1nc(OCC2CCCO2)cc2n1CCc1cc(OCC3CC3)ccc1-2,0,0,0,0
C=CCN1CCN(c2ccncc2S(=O)(=O)N2CCOCC2)CC1,0,0,0,0
COc1cc(Cl)c(C)cc1NC(=O)c1cnc(N2CCCCC2)c2ccccc12,1,0,0,0
COCC(=O)Nc1cc(C)cn(Cc2ccccc2Cl)c1=O,0,0,0,0
CCn1c(Oc2ccc(F)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1cc(C(=O)Nc2sc(C)c(C)c2C#N)no1,0,1,0,0
O=C1CC2(CCN(CCC(CN3C(=O)N[C@H](Cc4ccccc4)C3=O)c3cccc(Cl)c3)CC2)c2ccccc21,0,0,0,0
Cc1ccc(=O)n(-c2ccccc2)c1,0,0,0,0
COc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)CC2CCO)c(C)c1C,1,0,0,0
CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C#N)c2C1=O,0,0,0,0
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CCC3)n2)cc1OC(F)F,0,0,0,0
COc1ccc(OCC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1,1,0,0,0
Cc1cccc(N2CCN(C(=O)CCn3c(=S)[nH]c4cc5c(cc4c3=O)OCO5)CC2C)c1,1,0,0,0
CCC(CC)Sc1nc2cc(N3CCNCC3)c(F)cc2[nH]1,0,0,0,0
CC(=O)c1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1,0,0,0,0
O=C(/C=C/c1ccc2c(c1)nc(-c1ccncc1)n2CCO)NO,0,0,0,0
CC(C)c1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)[nH]n1,0,0,0,0
Cc1cc(C)n(C(=O)C23CC4CC(CC(C4)C2)C3)n1,0,0,0,0
CCOC(=O)c1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CCOC(=O)Cn1nnc2c(sc3nc4c(c(-c5ccc(Cl)cc5)c32)CCC4)c1=O,1,0,0,0
CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccn5)co4)cc3)cc2)C(=O)NC(=O)NC1=O,0,0,0,0
COc1cccc(-c2csc3[nH]cnc(=O)c23)c1,0,0,0,0
CC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1,0,0,0,0
NC(=S)NN=Cc1ccccc1OCCSc1ccc(Cl)cc1,1,0,0,0
COc1ccccc1/C=C1\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC1=O,0,0,0,0
Nc1nc2n(n1)C(=O)CC(c1ccc(Cl)cc1)N2,0,0,0,0
COc1ccc(S(=O)(=O)c2cnc(=S)[nH]c2O)cc1Cl,0,0,0,0
C=CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21,0,0,0,0
O=C(COc1ccc2ccccc2c1CN1CCOCC1)N1CCc2ccccc21,1,0,0,0
CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1=O,1,0,0,0
COc1cnc2[nH]cc(Cc3cnc(NCc4ccc(C(F)(F)F)nc4)c(F)c3)c2c1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccccc2CNC2CCCCC2)cc1,0,0,0,0
COc1cccc(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1O,0,0,0,0
COCC(C)n1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O,0,0,0,0
O=C(c1cc(C2CC2)on1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
COc1cc(S(=O)(=O)c2ccccc2CO)cc2c3c(oc12)CCNC3,0,0,0,0
CCOc1ccc(CCNC(=O)c2ccc(CSCc3ccccc3C)o2)cc1OCC,1,0,0,0
COc1ccc(CSc2nc(=O)cc(C)[nH]2)cc1,0,0,0,0
N#C[C@@H]1CCCN1Cc1ccc2c(-c3ccc(F)cc3)cc(C(N)=O)nc2c1,0,0,0,0
O=c1[nH]c(Cc2cc(Cl)ccc2-n2cccn2)nc2c1cnn2C1CCOCC1,0,0,0,0
Cc1c(C(N)=O)sc2ncn(CC(=O)OC(C)C)c(=O)c12,0,0,0,0
Cc1c(C2Nc3ccccc3N=C3CC(C)(C)CC(=O)C32)cnn1C,0,0,0,0
c1ccc(SCCOCCn2cncn2)cc1,0,0,0,0
CCOc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1,1,0,0,0
CN(C(=O)CON=Cc1ccc(Cl)cc1)c1ccccc1,1,0,0,0
Nc1cc(N2CCOCC2)c(Cl)cc1[N+](=O)[O-],0,0,0,0
Cc1[nH]c(=O)nc(SCc2ccc(Cl)c(Cl)c2)c1C#N,0,0,0,0
O=C(c1ccco1)N1CCN(C(=O)c2cc(-c3ccccc3F)no2)CC1,0,1,0,0
Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)c(Cl)c1,0,0,0,0
NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1,1,0,0,0
O=C(O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1,0,1,0,0
C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)cn2)CCN1C(=O)c1ccc2cc[nH]c2c1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1ccccc1,0,0,0,0
Cc1ccc(NC(=S)NN=Cc2ccc(OCCC(C)C)cc2)c(C)c1,0,0,0,0
CC(C)(C)c1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1,0,1,0,0
c1cc(OCCN2CCCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1,0,0,0,0
COc1ccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)cc1OC,1,0,0,0
CN(C)C1CCN(CC(O)Cn2nc(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)c3c2CCN(S(C)(=O)=O)C3)CC1,0,0,0,0
CCOc1cc(CNc2ccc3c[nH]nc3c2)ccc1OC,0,0,0,0
CC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1cccc(C#Cc2ccccc2)c1,0,0,0,0
CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](Cc3ccc(O)cc3)NC2=O)cc1,0,0,0,1
COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4O)cc1,0,0,0,0
Cc1cccc(CCNCc2ccc(-c3ccc(C(=O)NO)s3)nc2)c1,0,0,0,0
COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(OC)n1,1,0,0,0
NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCc1[nH]ncc1-2,0,0,0,0
CCCc1c(C(=O)O)cccc1-c1cc(C)cc(Nc2nccc(C(F)(F)F)n2)c1,0,0,0,0
CCOC(=O)C1=C(COC(=O)C(C)(C)Oc2ccc(Cl)cc2)NC(=O)NC1C,0,0,0,0
CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccccc43)ccc2=O)c1,0,0,0,0
COc1ccc(Nc2c(-c3ccc(OC)cc3)nc3cnccn23)cc1,0,0,0,0
CCCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,0,0,0,0
Clc1ccc(-c2csc(NN=C3CCCC3)n2)c(Cl)c1,0,0,0,0
CC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C,0,0,0,0
Cc1sc2nc(C)n(N=CN(C)C)c(=O)c2c1C,0,0,0,0
CC(=O)ON=Cc1c(NCc2ccccc2)nc2c(C)cccn2c1=O,0,0,0,0
Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C(=O)NCC(C)C,0,0,0,0
O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1,1,0,0,0
Cc1ccc(CCNC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)cc1,0,0,0,0
C[C@H](NC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1)C(=O)O,0,0,0,0
NC(c1ccccc1)c1cccnc1,0,0,0,0
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4c(F)cc(F)c5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
COc1nc(NC(=N)N)nc2c(C)cccc12,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCN4CCOCC4)c3)CC2)cc1,1,0,0,0
Cc1noc(C)c1-c1cc(NC2CC2)ncn1,0,0,0,0
Cc1cc2nnc(SCc3ccc(F)cc3)n2c2ccccc12,1,0,0,0
CC(=O)N1Cc2cc(N)ccc2Oc2ccccc21,0,0,0,0
Cc1ccc(OCCCCn2cnc3ccccc32)c(C)c1.O=C(O)C(=O)O,0,1,0,0
CNc1nn2c(OC)cc(-c3cccnc3)nc2c1S(=O)(=O)c1ccccc1,0,0,0,0
CSC[C@H]1[C@@H]2Cc3c(C(=O)O)n[nH]c3[C@H]12,0,0,0,0
O=C(O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1,0,0,0,0
C=CCNC(=S)NNc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2,0,0,0,0
Cc1cccc(C(=O)n2c(=S)nc3cc(C)ccn32)c1,0,1,0,0
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CCC(O)C(C)(C(=O)O)C7CCC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,0,0,0,0
COc1ccc(-n2c(C)cc(/C=C3\SC(=S)NC3=O)c2C)cc1,0,1,0,0
O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1ccc2ccccc2c1,0,0,0,0
COC(=O)CSc1nnnn1-c1cccc2ccccc12,0,0,0,0
CCNC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CC(C)[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Cl)cc1,0,0,0,0
CCc1nn(C)c(CC)c1N(C)S(=O)(=O)c1c(Cl)cc(CCCN2CCN(C)CC2)cc1Cl,0,0,0,0
Cn1c(=O)c2c(nc(NCc3ccco3)n2CC=Cc2ccccc2)n(C)c1=O,0,0,0,0
S=C(N/N=C/c1ccccc1Cl)Nc1ccccc1,0,1,0,0
Cc1ccc(-n2c(-c3ccccc3)nnc2-c2cccs2)cc1,1,0,0,0
O=C(NC[C@@H](O)C(=O)O)c1ccc(CC(c2ccc(OC(F)(F)F)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1,0,0,0,0
CC(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O,0,0,0,0
CC1CCc2c(sc(N)c2C(=O)OC(C)C)C1,0,0,0,0
O=[N+]([O-])c1ccc(OCc2cccc(COc3ccc([N+](=O)[O-])cc3)n2)cc1,0,0,0,0
COc1ccc(CNC2=NC(=O)CC(C(=O)Nc3ccccc3C)S2)cc1,0,0,0,0
COc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)NCCCn2ccnc2)cc1,1,0,0,0
CCc1ccc2c(c1)C(NC(C)=O)C(=O)N2CC,0,0,0,0
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc1OC,0,0,0,0
Nc1c(-c2nc3ccccc3[nH]2)cc(-c2ccccc2)n1Cc1nc2ccccc2[nH]1,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(Cl)cc2)CC1,1,0,0,0
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCCC(C)C3)cc2c1,0,0,0,0
O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1,0,1,0,0
CCc1nc2ccc(C(=O)NCCCN3CCN(c4ccccc4F)CC3)cc2nc1CC,1,0,0,0
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2ccc(F)cc2F)CC1,0,0,0,0
CCOc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)C2c2ccc(C(=O)OC)cc2)cc1,1,0,0,0
Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(Cl)c2)CC1,0,0,0,0
CC(=NNc1nc(Cl)c(Cl)cc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0,0,0
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccccc2)c1,0,0,0,0
O=[N+]([O-])c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2O)cc1,0,0,0,0
CC1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccccn23)C1,0,0,0,0
COc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1,0,0,0,0
COc1cccc(OC)c1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1cc(SCc2cnc(-c3ccc(C(F)(F)F)c(F)c3)s2)ccc1OCC(=O)O,0,0,0,0
C=CC(=O)N1CCN(c2nc(=O)n(C3=[SH]C=NC3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1,0,0,1,0
O=c1ccc2cc(S(=O)(=O)N3CCOCC3)ccc2o1,0,0,0,0
C=C(C)CNC(=S)N/N=C/c1ccc(N2CCOCC2)cc1,0,0,0,0
CCOC(=O)c1ccc2[nH]c(-c3ccc(S(=O)(=O)F)cc3)cc(=O)c2c1,0,0,0,0
CC(C)(O)c1ccc2c(c1)NC(=O)c1ccc(Nc3ccnc(Nc4ccnc(Cl)c4)c3)cc1N2,0,0,0,0
CCNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CCN(C)C)c3n2)cc1,0,0,0,0
CCNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1,0,0,0,0
CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCCO3)c(O)cc1OC,0,0,0,0
COc1ccccc1-c1ccc(-c2ccc3c(c2)c(C)c(CC(C)(C)C(=O)O)n3Cc2ccc(Cl)cc2)cc1F,0,0,0,0
CCN1C(=O)C=C(C)C1=O,0,0,1,0
Cc1cccc(N2CCN(c3ccc(NC(=O)C=CC(=O)O)cc3)CC2)c1,0,0,0,0
N#C/C(=C\c1cccnc1)c1c[nH]c2ncccc12,0,0,0,1
O=C(c1cccs1)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1,0,0,0,0
COc1cccc(-n2c(=O)c3cc(OC)c(OC)cc3n(CC(=O)Nc3cc(C)[nH]n3)c2=O)c1,1,0,0,0
CC(C)CC(c1nnnn1C(C)C)N1CCN(c2ccccc2)CC1,0,0,0,0
CCCc1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1,1,0,0,0
Cc1cc(C)cc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
CNC(=O)c1c(N)n(CC2CCCO2)c2nc(C#CC(C)(C)O)ccc2c1=O,0,0,0,0
CN(C)C[C@@H](OC(=O)N1Cc2c(Nc3ncnc4sccc34)n[nH]c2C1(C)C)c1ccccc1,0,0,0,0
CCC(CC)COC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1,0,0,0,0
Cc1ccc(-c2nc(C(=O)N3CCN(c4ccccc4)CC3)c3n2CCCCC3)cc1,0,0,0,0
CC(C)C(c1ccc(Cl)cc1)C1CCCCN1,0,0,0,0
O=C(O)c1ccc2c(c1)C(SCCNS(=O)(=O)c1ccccc1)c1ccccc1C=C2,0,0,0,0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncccn2)CC1,0,0,0,0
Cc1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1,0,0,0,0
O=c1c2sc3nc(N4CCOCC4)c4c(c3c2ncn1-c1ccccc1)CCCC4,0,0,0,0
COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3Cl)c2=O)cc1OC,0,0,0,0
O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2ccccc2)C1,0,0,0,0
Cc1cc2c(-c3cccc4[nH]ncc34)cnc(NC3CCNCC3)c2[nH]c1=O,0,0,0,0
Brc1ccc(-c2csc(-c3ccncc3)n2)cn1,0,0,0,0
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)cc1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(N)=O)CC5)c34)c(Cl)c2)n1,0,0,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1Cc1ccc2c(c1)OCO2,0,0,0,0
Cc1c(-c2ccc(O)c(F)c2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN(CC/C(=N\OCCN2CCOCC2)c2ccccc2)C[C@H]1Cc1c[nH]c2ccccc12,0,0,0,0
O=S(=O)(c1ccccc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0,0,0
C=c1[nH]n(-c2ccccc2)c(=O)c1=CC=Cc1ccccc1,1,0,0,0
Cc1nc(NC(C)c2ccc(F)c(Br)c2)cc(-c2ccc3occ(C)c3c2)n1,0,0,0,0
COc1ccc(N=Cc2sc3ccccc3c2Cl)cc1,0,1,0,0
C=CCNC(=S)Nc1sc2c(c1C#N)CCCC2,0,1,0,0
CC(=O)Nc1nc(Cn2nnc(-c3ccc4c(c3)OCO4)n2)nc(N(C)C)n1,0,0,0,0
Cc1c2c(n3c1CC(=O)N(C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,0,0,0,0
OCCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)(F)F)c1,0,0,0,0
NC(=O)NC1N=C(O[Al])NC1=O,0,0,0,0
Sc1nnc(-c2ccc3ccccc3n2)n1-c1ccc(Cl)cc1,1,0,0,0
CCn1c(S)nnc1-c1csc(-c2ccccc2)n1,1,0,0,0
CC(=O)CSc1nnc(CN2C(=O)CSc3ccc(C(F)(F)F)cc32)n1C,0,0,0,0
CNC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2ccc(OC)cc2)CC1,0,0,1,0
CC(=O)CN1CCN(c2cc3nc(SC(C)(C)C)[nH]c3cc2Cl)C(C)C1,0,0,0,0
Cc1c(Cl)cc(C(C)(C)O)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
COc1cc(-c2cnc(OCC3(C(=O)O)CCC3)cc2C)cnc1-c1ncc(C(F)(F)F)[nH]1,0,0,0,0
CCCc1nc(N)nc2c1C(=O)CC(C)(C)C2,0,0,0,0
O=C(Cc1ccc(CCCCc2cccc(C(F)(F)F)c2)cc1)NO,0,0,0,0
Cc1cc(C2=NNC(=Nc3ccccc3)SC2)c(C)n1C,0,1,0,0
CCNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1,0,0,0,0
CCC(=NCc1cccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0,0,0
CCN(Cc1ccccc1)c1ccc(/C=N/N=C(N)N)cc1,0,0,0,0
C[C@H](CO)Nc1cc(NS(=O)(=O)N2CCCC2)nc(SCc2cccc(F)c2F)n1,0,0,0,0
CN(c1ccc([N+](=O)[O-])cc1C(N)=O)C1CCCCC1,0,0,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCC(C)C3)cc2)c2ccc(O)cc12,0,0,0,0
CN(C)S(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12,0,0,0,0
Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)c(C)c1,0,0,0,0
CN1C(=O)N(c2ccc(C#Cc3cncc(F)c3)cn2)C2CCCCC21,0,0,0,0
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=O)c3ccc(O)cc3)C1(O)CCC2C1=CC(=O)OC1,0,0,0,0
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2cn[nH]c2)cc1F,0,0,0,0
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1C)C2=O,0,0,0,0
CCCCS(=O)(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
Cn1c(=O)c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
C[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)CSSC[C@@H](C(=O)O)NC1=O,0,0,0,0
O=S(=O)(Nc1ccc(Br)cc1)c1cccc2nonc12,0,0,0,0
Cc1ccc(OCCn2cnc3ccccc3c2=O)c([N+](=O)[O-])c1,0,0,0,0
N#Cc1c(N2CCCC2)ccc(Br)c1Cl,0,0,0,0
CCS(=O)(=O)N1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1,0,0,0,0
O=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1,0,1,0,0
COc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCCCn1ccnc1[N+](=O)[O-],0,0,0,0
CCCN(CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)NC)c1,0,0,0,0
O=C1C[C@@H](CC(=O)N2CCOCC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2Cl)CC1,0,0,0,0
COc1cccc(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1,0,0,0,0
N#C[C@@H]1C[C@H](N)CCC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
Cc1cccn2cc[n+](CC3CC(c4ccccc4)(c4ccccc4)C(=O)O3)c12,0,0,0,0
Clc1ncc(COc2cccc3cccnc23)s1,0,0,0,0
CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccc(C)cc1,0,0,0,0
COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2,0,0,0,1
CCOC(=O)Cn1cc(C=NN2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc21,1,0,0,0
COc1cnc2c(N[C@@H](C)c3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,0,0,0,0
CCc1ccc(Oc2coc3cc(O)ccc3c2=O)cc1,0,1,0,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,0,0,0,0
Cc1cnc2[nH]cc(Cc3cnc(NCc4ccc(C(F)(F)F)nc4)c(F)c3)c2c1,0,0,0,0
NCCNCc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,0,0,0,0
Cc1nc(CNc2cc(OC[C@@H]3C[C@H]3c3ccn(C)n3)nn(C)c2=O)sc1C,0,0,0,0
Cc1cccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)c1,0,0,0,0
CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(O)c2c1,0,0,0,0
CCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1c(C)c2ccc(OCC(=O)N3CCC(C(=O)O)CC3)c(C)c2oc1=O,0,1,0,0
CC(=O)C1C(=O)N[C@H](CCC(=O)O)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)NC(C(=O)N2CCC[C@H]2C(=O)CN2CCC[C@H]2C(=O)CN[C@@H](CCCCN)C(=O)CN[C@@H](CC(=O)O)C(N)=O)CSSC1(C)C,0,0,0,0
COc1cccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCO3)c1,0,0,0,0
C[C@@H]1CN2C(=O)c3c(cccc3C(F)(F)F)[C@@H]2CN1,0,0,0,0
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCO3)cc1,0,0,0,0
Cn1cc(CN2CCC3(CC(=O)c4cc(/C=C/C(=O)NO)ccc4O3)C2)c2ccccc21,0,0,0,1
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
CNC(=O)c1ccc(C2(C)SC(=N[C@@H](C)c3ccc(F)cc3)NC2=O)cc1,0,0,0,0
COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@@H](N1CCC(c3c(OC(F)F)ccc(Cl)c3F)=CC1=O)c1ccnc-2c1,0,0,0,0
O=c1c2c(nc3cc(-c4ccc(F)cc4)[nH]n13)CCCC2,0,1,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(N4CCCC4)cn3)[C@H]12,0,0,0,0
CC(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
O=C(c1ccc(Cl)c(C(F)(F)F)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
CCCCc1nc(NCc2ccccc2)c(C#N)c2c1CCCC2,0,0,0,0
Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2ccccc2)CC1,0,0,0,0
CC1(C)CC(=O)C(C=NCC(O)c2ccccc2)=C(O)C1,0,0,0,0
COc1cc(NC(=O)CSc2nc3cc(C)ccc3cc2C)c(C(=O)O)cc1OC,1,0,0,0
Cn1cc(C(=O)O)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0,0,0
O=C(CCCCCCN(c1ccccn1)c1ccccn1)NO,0,0,0,1
Cc1ccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc1,0,0,0,0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)CC(=O)N(Cc4ccccc4)Cc4ccc(C(=O)O)cc4)cc3)C[C@@]21C,0,0,0,0
Nc1[nH]cc[n+]1Cc1[nH]c(=O)[nH]c(=O)c1Cl,0,0,0,0
COCCn1c(=O)c(-c2ccc(F)c(F)c2)nc2cncnc21,1,0,0,0
CC(C)COc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1,0,0,0,0
CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc21,0,0,0,0
CCCCc1nc2ccn(Cc3ccc(Cl)cc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
O=C(O)CCCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1,0,0,0,0
CC(C)(F)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
COC(=O)Cc1csc(/N=C/c2c(O)n(-c3cccc(C(F)(F)F)c3)c(=O)c3ccccc23)n1,0,0,0,0
COc1ccccc1-c1nnc(-c2cc(C(F)(F)F)nn2-c2cccc(CNC(=O)[C@H](C)N)c2)o1,0,0,0,0
CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)cc(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
Cc1ccc(OC(=S)Nc2ccc(O)cc2)cc1,0,0,0,0
CN(C)c1nc(Cl)cc(N2CCOCC2)n1,0,0,0,0
Cc1ccnc(-n2sc3ccccc3c2=O)n1,0,1,0,0
O=S(=O)(c1cc(-c2nnc(-c3ccc(Br)cc3)o2)ccc1Br)N1CCCCCC1,1,0,0,0
CCCCc1ccc(-n2cc(O)c(=O)cc2CO)cc1,0,0,0,0
C[C@@H]1CN([C@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)C(=O)Nc1ccc(C(C)(C)C)cc1,0,0,0,0
O=C1CN(C(=O)C2CC2)c2ccccc2N1,0,0,0,0
NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCCCC1,0,1,0,0
Cc1c2c(nc3sc4c(N)ncnc4c13)CCCC2,0,0,0,0
COc1ccc2c(C)c(C(=O)N3CCN(Cc4ccccc4)CC3)oc2c1,1,0,0,0
C[N+](C)(CCN1CC(c2ccccc2)(c2ccccc2)NC1=O)Cc1ccccc1,0,0,0,0
CN(C)CCOc1ccc2[nH]c(=O)c3c(c2c1)NCCC3,0,0,0,0
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1,0,0,0,0
CCc1nc2ccccc2c(=O)n1-c1ccccc1OC,0,0,0,0
COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(OC)nc21,0,0,0,0
OC1CN(CCCCc2ccccc2)CCc2cc(OCc3ccccc3)ccc21,0,0,0,0
Cc1cc(=O)[nH]c(SCc2cn3ccccc3n2)n1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1,1,0,0,0
OC(COc1ccc2c(c1)CCC2)Cn1cnc2ccccc21,0,0,0,0
COc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,0,0,0,0
CCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)OCC)cc1,0,0,0,0
CCOC(=O)NNc1ccc2nonc2c1[N+](=O)[O-],0,0,0,0
CCC(CC)(Cc1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(-c2ncccn2)cc1)C(=O)O,0,0,0,0
CCC[C@@H]1CC[C@@H]2C[C@]13Cc1cc(O)ccc1C3=C(C)C2=O,0,0,0,0
CS(=O)(=O)Nc1ccccc1C(=O)N1CCCC1,0,0,0,0
COc1ccc(O)c(CN2CCN(CCc3ccccc3)C(CCO)C2)c1,0,0,0,0
CCC(NCCc1c[nH]c2ccccc12)=C1C(=O)N(C)C(=O)N(C)C1=O,1,0,0,0
COc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)ccc1O,0,0,0,0
O=C1Nc2ccc(-c3ccn[nH]3)cc2[C@](CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1,0,0,0,0
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)cc1C,1,0,0,0
CCCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3OC(OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(=S)NC(C)C)cc1OC,0,0,0,0
CCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3)cs2)n1)C(=O)O,0,0,0,0
CC(C)S(=O)(=O)NCCCCCNc1nc(-c2cccnc2)cs1,0,0,0,0
CC(C)(C)C(NC(=O)c1cc(OCC(F)(F)F)c(N2CC(F)(F)C2)cn1)C(N)=O,0,0,0,0
N#C[C@@H]1C[C@@H](NCCC(F)(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1,0,0,0,0
COC(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
CC(C)n1cnc2cnc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)cc21,0,0,0,0
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cc(-c4onc(C)c4C)ccc3C)CC2)cc1,0,0,0,0
CC(=O)N1CCC(C2=NNC(=O)C2N=Nc2ccc(F)cc2F)CC1,0,0,0,0
N#Cc1ccccc1CSc1nnc2ccc3ccccc3n12,0,0,0,0
CCn1c(=S)[nH]c2cc(C(=O)OC)ccc2c1=O,0,0,0,0
CN(C)/C=C(/C#N)C(=O)Nc1cccc(CNc2c(C(N)=O)cnn3cccc23)c1,0,0,1,0
CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccnc2)c1,1,0,0,0
CCN(CC)CCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2(C)C)C1=O,0,0,0,0
N=C(N)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,0,0,1,0
O=[N+]([O-])c1ccc(NCc2ccncc2)cc1,1,0,0,0
Fc1cccc(F)c1CNc1ccc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1,0,0,0,0
O=C1c2cccc3cccc(c23)C(=O)N1CC1CCCO1,0,0,0,0
Cc1cccn2c(Nc3ccccc3)c(-c3cccs3)nc12,0,0,0,0
O=C(O)/C=C/c1ccc(Oc2c(-c3ccccc3)c(C3CC3)cc3cc(O)ccc23)cc1,0,0,0,0
COC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12,0,0,0,0
Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1sc2ccccc2c1Cl,1,0,0,0
CCn1c(SC)nnc1-c1nn(-c2ccccc2)ccc1=O,0,0,0,1
O=C(Nc1ccccc1)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1,0,1,0,0
CCOC(=O)C1CCCN(C(=O)c2cc(COc3ccc(C)nc3)on2)C1,0,0,0,0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccc(-c2ccccc2)cc1,0,0,0,0
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)CSc2ncccc2C(=O)O)cc1,1,0,0,0
Cn1c2ccccc2c2c(-c3ccc(O)cc3)c[nH]c(=O)c21,0,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(CC)s2)n1)C(=O)O,0,0,0,0
Cc1cc2c(c(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)NC2=O,0,0,0,0
O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1c(F)cccc1Cl,0,0,0,1
O=C(NO)[C@@H]1CSCN1S(=O)(=O)c1ccc(-c2ccccc2)cc1,0,0,0,0
CCC(=O)Nc1ccc2nc(SCCOc3cccc(C)c3)sc2c1,0,0,0,0
Cc1c(C#N)ccc2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
Clc1cncc(N2CCNCC2)c1,0,0,0,0
CCCCC(=O)NN=Cc1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
O=C1NC2CCCCC2N1c1nc2ncccc2o1,0,0,0,1
CCc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1,1,0,0,0
Cc1cc(N2C(SCC(=O)NCc3cccs3)NC3NNC(C)C3C2N)ccc1Cl,1,0,0,0
CCOc1ccccc1NC(=O)C1CCCN1S(=O)(=O)c1ccc2[nH]c(-c3ccccc3)nc2c1,1,0,0,0
Cc1cccc2nc(CCc3nc(-c4cccnc4)cn3C)nn12,0,0,0,0
O=C1OC2(CCCCC2)CC2=C1[C@H]1O[C@](c3ccsc3)(Cc3c1ccc1ccccc31)O2,0,0,0,0
Fc1ccc(/C=N/n2c(-c3cccs3)n[nH]c2=S)cc1,0,0,0,0
CCSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,0,0,0,0
Cc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc1,0,0,0,0
Cn1c(COc2ccc3ccccc3c2)nnc1SCC(=O)O,0,0,0,0
Cc1ccc(-n2[nH]c(C)c(/C=N/c3ccc(S(=O)(=O)Nc4nccs4)cc3)c2=O)cc1,1,0,0,0
CCCc1[nH]nc2c1C(c1ccccc1OC)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
CC(N)Cn1ccc2c1-c1cc(F)ccc1C2(C)C,0,0,0,0
COc1cc2c(cc1OC)C(c1cccnc1)CC(=O)N2,0,0,0,0
O=c1c2cc(-c3ccccn3)oc2ccn1-c1ccc2c(cnn2CCN2CCCC2)c1,0,0,0,0
c1coc(CN(Cc2cccs2)Cc2nnnn2C2CCCCC2)c1,1,0,0,0
CCCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
Cc1cc(C(=O)CN2C(=O)NC(C)(c3ccccc3)C2=O)c(C)n1CC1CCCO1,0,1,0,0
CC(=O)Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,0,0,0,0
CSCC(=O)N1CCCC(CO)(Cc2ccccc2C)C1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CCCF)c1,0,0,0,0
CNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(CC(C)(C)O)c4)cc3)c2c1,0,0,0,0
CC1CN(C(=O)N2CCC(C(=O)NCc3ccco3)CC2)c2ccccc2O1,1,0,0,0
O=C(O)c1cccc(Sc2ccc([N+](=O)[O-])c3nonc23)c1,0,0,0,0
C[C@H](c1ccc(F)cc1)N1C(=O)O[C@](Cc2ccc(F)cc2)(C(=O)NCc2ccc(Cl)c(Cl)c2)C1=O,0,0,0,0
Cc1occc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
O=C1C2Sc3[nH]c(=O)sc3C(c3ccccc3)C2C(=O)N1c1ccccc1,1,0,0,0
N#Cc1c(-c2ccccc2)c(-c2ccccc2)n(Cc2ccco2)c1NC(=O)c1cccs1,1,0,0,0
Cc1ccc(NS(=O)(=O)C2CS(=O)(=O)c3ccccc32)nc1,0,0,0,0
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2ccccc2F)CC1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCC(NCC(F)F)CC1,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(O)c1cccc(Cl)c1-2,0,0,0,0
N#Cc1ccccc1Cn1cc(C(=O)c2ccccc2F)c2ccccc21,0,0,0,0
COC1=CC(=Cc2c(-c3ccccc3)[nH]oc2=O)C=CC1=O,0,0,0,0
Cc1c(C)c2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc2oc1=O,0,0,0,0
COC(=O)c1c(N(S(C)(=O)=O)S(C)(=O)=O)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2,1,0,0,0
CCc1ccccc1Cn1cccc(/C=C/C(=O)NO)c1=O,0,0,0,1
O=C(NCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,1,0,0
COC(=O)c1ccc(COC(=O)c2c(C)nn(Cc3ccccc3Cl)c2Cl)o1,0,0,0,0
Fc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12,1,0,0,0
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1,0,0,0,0
COCCCn1c(=O)c2sccc2n2c(CCCC(=O)Nc3cccc(C(F)(F)F)c3)nnc12,1,0,0,0
COC(CNC(=O)c1cccc2c1C(=O)N(Cc1cccnc1)C2)OC,0,0,0,0
CCN(CC)CCSc1nc(-c2cc(OC)c(C#N)cc2Cl)c2c(C#N)c[nH]c2n1,0,0,0,0
N#CCc1cccc(-c2ccc(S(=O)(=O)CCOc3ccc4ccccc4c3C(=O)NO)cc2)c1,0,0,0,0
CCCCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-],0,0,0,0
O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCCC1,0,0,0,0
CC1=CS(=O)(=O)CC1SC(=S)N(C)C1CCS(=O)(=O)C1,0,0,0,0
COc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,0,0,0,0
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3cccc(F)c3)c(C)o2)cc1,1,0,0,0
Cn1c(-c2ccccc2O)cc2ccccc21,0,0,0,0
CCOC(=O)CN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
OCC1CCN(c2cc(F)cnc2C2CN(c3ccc4ccccc4n3)C2)CC1,0,0,0,0
Brc1cnc(Nc2ccc3c(c2)CCC3)nc1Nc1cc(C2CC2)[nH]n1,0,0,0,0
CC1(C)Cc2nc3sc4c(=O)n(Cc5ccccc5)cnc4c3cc2CS1,0,0,0,0
CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2cccc([N+](=O)[O-])c2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1,1,0,0,0
COCCN(C(C)=O)c1nnc(-c2cnccn2)s1,0,0,0,0
O=C(c1ccccn1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
Cc1c(C(=O)NCCCO)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
Cc1cc2cc(CNC(=S)Nc3ccc(OC(F)(F)F)cc3)ccc2n1C,1,0,0,0
CN(C)C(=O)c1ccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cc1,0,0,0,0
CCCNc1nc(C)nc2c1cnn2CCc1ccccc1,0,0,0,0
CCOc1ccccc1C(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1,1,0,0,0
O=C1CC(c2ccco2)CC(=O)C1=CNCCN1CCNCC1,0,0,0,0
COc1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n([C@H]5CCN(C(=O)CO)C[C@@H]5F)c34)c(Cl)c2)n1,0,0,0,0
C=CCn1c(SCC(=O)O)nc2sc(CC)cc2c1=O,0,0,0,0
COC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1[nH]nc2nc3c(c(OC(=O)c4ccccc4)c12)c(=O)n(C)c(=O)n3C,0,0,0,0
O=C(O)C=Cc1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
CCCSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1,1,0,0,0
CC(=O)OCCNc1cc(N2CCN(C)CC2)c2noc3c2c1C(=O)c1ccccc1-3,1,0,0,0
Cn1cc(C=C(NC(=O)c2ccccc2Cl)C(=O)NCCN2CCOCC2)c2ccccc21,1,0,0,0
CCC(C)NC(=O)C1N2C(=O)c3ccccc3C2SC1(C)C,0,0,0,0
CCCc1cc(NCC2CCCO2)n2c(nc3ccccc32)c1C#N,0,1,0,0
CC(=O)Nc1ccc(C(=O)N/N=C/c2ccccc2OCc2ccccc2)cc1,0,1,0,0
c1ccc(C(c2ccc(Nc3ccc4ccccc4c3)cc2)n2ccnc2)cc1,0,0,0,0
COc1ccc(C#N)c(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)c4c(N)[nH]nc4n3)cc2)c1,0,0,0,0
COc1ccc(C(CN(C)C)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,0,0,0,0
CCC(c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)CC(C)C,0,0,0,0
CCN(CC)c1ccc(/C=N/NC(=O)Cc2cccs2)cc1,0,1,0,0
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OC(C)(C)C)C[C@@H]2C(=O)NO)cc1,0,0,0,1
Cc1cccc(-n2c(/C=C/c3c[nH]c4ccccc34)nc3ccccc3c2=O)c1,0,0,0,0
CCC1(CC)C(=O)N(Cc2ccccc2)C(=O)N(Cc2ccccc2)C1=O,0,0,0,0
CC(C)CC(=O)Nc1cc(-c2ccccc2F)nn1-c1ccccc1,0,0,0,0
O=C(O)c1nnsc1-c1ccc(-c2snnc2C(=O)O)cc1,0,0,0,0
CC(C)(COc1ccc(-c2ccc(-c3ncc(C(C)(C)C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O,0,0,0,0
CN1CC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C#N)nc3c2)C1=O,0,0,0,0
O=S(=O)(c1ccc(N2CCCC2)cc1)C(F)(F)F,0,0,0,0
COc1ccccc1N1CCN(CCN2C(=O)c3ccccc3C(C)(C)C2=O)CC1,0,0,0,0
COc1ccc(C2=NN(CCCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC,0,0,0,0
CC1=C2CC(O)(C(C)(C)O)C(OC3OC(CO)C(O)C(O)C3O)CC(C)C2CC1=O,0,0,1,0
CC(=O)NCCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOc1ccc(-n2cc(C(=O)N3CCCCCC3)c3cc(OC)c(OC)cc3c2=O)cc1,0,0,0,0
CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccccc1)C2O,0,0,0,0
Cc1nc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1,0,0,0,0
COCCN(C(=O)c1ccc(OCC(C)C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,1,0,0,0
O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(Br)o1,1,0,0,0
COc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1Br,0,0,0,0
O=S(=O)(N[C@H]1CCC[C@@H](c2nnc3cnc4[nH]ccc4n23)C1)C1CC1,0,0,0,0
CCn1c(SCC(=O)N/N=C/C(C)=C/c2ccco2)nnc1-c1ccccc1,0,1,0,0
CS(=O)(=O)NC1CCN(c2cc(-c3ccc(Cl)cn3)c(Cl)cn2)CC1,0,0,0,0
CC(=O)Nc1nc(CCl)cs1,0,0,0,0
Cc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2oc1=O,0,0,0,0
O=C(c1cc(COc2ccc(F)cc2Cl)on1)N1CCN(c2cnccn2)CC1,0,0,0,0
CC1(C)c2[nH]c3ccccc3c2C[C@H]2C(=O)N(N)CC(=O)N21,0,0,0,0
CC(=O)N1CCN(CCN=CC2=C(O)CC(c3ccco3)CC2=O)CC1,0,0,0,0
N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CN1CCOCC1)Cc1cc(F)c(F)cc1F,0,0,0,0
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccccc3n2)cc1,0,0,1,0
Cc1cnc(-c2cc(N3CCn4cc(C(=O)OC5CCCC5)nc4C3)ncc2Cl)c(C)c1,0,0,0,0
N#CC(C#N)=Cc1ccc(N2CCCC2)cc1,0,0,0,0
CCc1nn2cc(-c3nc4ccc(OC)cc4o3)nc2s1,0,0,0,0
CC(C)C(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1,0,0,0,0
FC1CCNCCC1Oc1cccc2ccc(-c3nnc4ccc(C5CC5)cn34)nc12,0,0,0,0
COCCN1CN=C(Nc2nc3ccccc3s2)NC1,0,0,0,0
Cc1nnc(C2CC2)n1-c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCC2)cc1,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1ccco1,0,0,0,0
CN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl,0,0,0,0
Cc1nc(N)sc1C,0,0,0,0
CCN1CCN(c2cc3nc(SC(C)(C)C)[nH]c3cc2Cl)CC1,0,0,0,0
O=C1CC(N2CCN(Cc3ccccc3)CC2)C(=O)N1,0,0,0,0
C[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(OCC4CC4)cc3Cl)cc2O1,0,0,0,0
O=C(O)[C@H](Cc1ccc(-c2cccs2)cc1)Oc1ccc(Cl)cc1,0,0,0,0
O=C(c1ccc2c(-c3cnc4ccc(F)cn34)c[nH]c2c1)N1CCCCCC1,0,0,0,0
Nc1ncncc1-c1ccc2ccccc2c1,0,0,0,0
COc1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1Br,0,0,0,0
Cc1onc(-c2ccccc2)c1-c1ccc(S(N)(=O)=O)cc1,0,0,0,0
COc1cc(-c2nc(C(=O)NCC3CCCO3)cc3c2[nH]c2ccccc23)cc(OC)c1OC,1,0,0,0
CC(C)N1CCN(C(=O)c2ccc(CN3CCCCC3)cn2)CC1,0,0,0,0
COc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2,0,0,0,0
NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
Cc1cc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)ccc1-n1cnnn1,0,0,0,0
COC(=O)c1cccc(NC(=O)C2COc3ccccc3O2)c1,0,1,0,0
O=C(NO)c1ccc(-c2ccc(CNCCc3ccccc3)cn2)s1,0,0,0,0
O=C(Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc2C1)c1ccco1,1,0,0,0
Cc1c(OCC(=O)O)ccc(Sc2ccc(COc3ccc(C(F)(F)F)cc3)cc2OCc2cccnc2)c1C,0,0,0,0
Cc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
Cn1c(NCCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,1,0,0,0
Cc1ncc(CO)c(C=NNC(=S)Nc2ccc(F)cc2)c1O,0,0,0,0
O=C(c1ccc(Nc2ccccc2[N+](=O)[O-])c(Cl)c1)N1CCC(N2CCCCC2)CC1,0,0,0,0
O=C(NS(=O)(=O)CCO)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)cc1,0,0,0,0
O=C(c1ccc(C[S+]([O-])c2ccccc2Cl)o1)N1CCN(c2ccccc2F)CC1,0,0,0,0
COc1cc2c(cc1OC)C1=C(C#N)CC/C(=N\S(=O)(=O)c3ccccc3)N1CC2,0,0,0,0
CCc1cc(OC)cc2nc(-c3cccnc3N3CCN(CCN4CCOCC4)CC3)oc(=O)c12,0,0,0,0
Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1,1,0,0,0
Cc1ccc2[nH]c(CSc3ccccc3)cc(=O)c2c1,0,0,0,0
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1,0,1,0,0
CCC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3OC)sc2c1,1,0,0,0
CN1CCC(c2cc3c(-c4nc(NCC5CCS(=O)(=O)CC5)ccc4Cl)ccnc3[nH]2)CC1,0,0,0,0
CCc1nn(C(C)C(=O)N2CCN(c3ccc(OC)cc3)CC2)c(=O)c2cc3occc3n12,1,0,0,0
C=CCN1c2ccccc2C23CC(C(=O)OC)N(C(=O)NCCC)C2=NC(C(=O)OC)=C(C(=O)OC)C13,1,0,0,0
NC(=O)C1CCC(CNc2nc(NCc3ccccc3)cc(-c3ccc4[nH]ncc4c3)n2)CC1,0,0,0,0
O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3c(F)cccc3F)cc2)cc1,0,0,0,0
CCOC(=O)c1cc2c(C(F)(F)F)cc(-c3ccccc3)nc2o1,0,0,0,0
COc1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccc(C)cc2)cc1,0,0,0,0
c1ccc2c(NC3CCCC3)nnc(NC3CCCC3)c2c1,0,0,0,0
C[C@@H](c1ccccc1)n1c(O)c2ccc(/C=C/C(=O)N=O)cc2c1O,0,0,0,1
CC(=NOC(=O)CC(C)C)c1cc(-c2ccc(Cl)cc2)no1,0,0,0,0
COc1cc(NS(=O)(=O)c2ccc3c(ccc(=O)n3-c3cc(F)c(Br)cc3OC)c2)ncn1,0,0,0,0
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1c(O)ccc2ccccc12,0,0,0,0
O=c1[nH]cnc2[nH]c(-c3cccc4ccc(Cl)nc34)cc12,0,0,0,0
CCCc1cc(=O)nc(SCc2cccc(C)c2)[nH]1,0,0,0,0
CC1CCC(C(C)C)C(=O)/C1=C\c1ccc(NC(=O)CCC(=O)O)cc1,0,1,0,0
COc1cc(F)ccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nncc2c1-c1ccccc1F,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(CCC(=O)O)cc2)c1,0,0,0,0
COc1ccc(C2c3c(c(C)c(C)oc3=O)Oc3c(C)c(C)oc(=O)c32)cc1,0,0,0,0
Nc1c(Cl)cc(C(=O)N(C2CCCCC2)C2CC2)cc1Cl,0,0,0,0
Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1C,0,0,0,0
Cn1ccc(Nc2cc(-c3cc(C#N)cc(N4CCNCC4)n3)ccn2)n1,0,0,0,0
O=S(=O)(NCCc1ccccc1)c1ccc(-n2cnnn2)cc1,0,0,0,0
C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccc(C(N)=O)cc2)n1)c1ccccc1,0,0,0,0
Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCNCC4)cc3)nc12,0,0,0,0
Cc1ccc2ccccc2c1-c1nnc(-c2ccccc2C(F)(F)F)n1C,0,0,0,0
O=C1NN=C(c2ccc(OC3CCN(C4CCCC4)CC3)cc2)C2CC12,0,0,0,0
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(COC)o2)CC1,1,0,0,0
CC(C)C(CCNCc1ccccn1)c1ccc(Cl)cc1,0,0,0,1
Cc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2ccccc23)cc1,1,0,0,0
CCN(CC)CCCNc1nc2cc(OC)c(OC)cc2c2nc(-c3cccnc3)nn12,0,0,0,1
Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(N2CCC3(CC2)CNC(=O)N3)nc1,0,0,0,0
Cc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Fc1cccc(C2=NCCCC2)c1,0,0,0,0
Cc1ccc(C=Nn2cnc3sc(-c4ccccc4)cc3c2=O)o1,0,0,0,0
CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(C)cc2)ccc1C,0,1,0,0
CC(C)CC(=O)NC(=S)Nc1ccccc1N1CCCC1,0,0,0,0
CN(CCC(F)(F)F)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CCN(CC)CCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O,0,0,0,0
CCc1nc2ccccc2n(CCOCCOCCn2c(=O)c(CC)nc3ccccc32)c1=O,1,0,0,0
COC(=O)c1cc2c(cc1Cl)SC(=NCCCN1CCOCC1)NS2(=O)=O,1,0,0,0
Cc1ccc2[nH]c(CSc3nnc(C)s3)cc(=O)c2c1,0,0,0,0
CC(=O)n1c2ccccc2c2c(C#N)c(N3CCCCC3)sc21,0,0,0,0
O=c1cc(O)[nH]c(SCc2ccccc2Cl)n1,1,0,0,0
O=S(=O)(c1ccccc1)N1CCC2(CCN(c3ccncc3)CC2)CC1,0,0,0,0
Cc1ccc(N2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1,0,0,0,0
CCCCCCCCc1ccc(OCC(=O)Cn2nnnc2-c2ccccn2)cc1,0,0,1,0
O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccc(Br)cc23)CC1,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Cl)c2n(CCC)c1=O,0,0,0,0
COc1ccc(-c2cn3c(C)c(C(=O)N4CCN(c5ccc(F)cc5)CC4)sc3n2)cc1,0,0,0,0
Cc1c(C(=O)NCCN(C)C)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2,0,0,0,0
COCCN1CSC(=S)N(Cc2ccco2)C1,0,0,0,0
Cc1c(C2NS(=O)(=O)c3ccccc32)c2cc(Cl)ccc2n1CC(=O)O,0,0,0,0
O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cccc13)CNCC2,0,0,0,0
O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccccn2)CC1,0,0,0,0
O=C(c1ccc(COc2ccccc2Br)o1)N1CCCCCC1,0,0,0,0
COc1ccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC2)c(OC)c1,1,0,0,0
COCc1c(-c2ccc(Nc3cc4cc(-c5cnn(CC(C)(C)O)c5)ccc4cn3)c(OC)c2)cnn1C,0,0,0,0
Cc1ccc(NC2=NC(=O)NC(=O)C2)cc1C,0,0,0,0
CCCCCc1ccc(C2=NNC(=O)CC2)cc1,0,0,0,0
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1F,0,0,0,0
COc1ccccc1C1C2=C(CC(C)(C)CC2=O)Nc2nnnn21,0,0,0,0
CS(=O)(=O)CCC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1,0,0,0,0
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-],1,0,0,0
Oc1nc(CN2CC=C(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc12,1,0,0,0
O=C(CSc1nnc(-c2ccccc2)o1)n1c2c(c3ccccc31)CCCC2,1,0,0,0
Brc1ccc2nc(-c3ccccc3)c(Nc3ccc4c(c3)OCO4)n2c1,0,0,0,0
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1C1CCC3O1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O,0,0,0,0
CC(Sc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)NC(N)=O,0,0,0,0
FC(F)(F)c1cnc(Sc2nc3nccc(-c4ccc(Cl)cc4)n3n2)c(Cl)c1,0,0,0,0
Cc1ccc(Nc2ncc(C(=O)NCCCN3CCN(C)CC3)c3ccccc23)cc1Cl,1,0,0,0
Fc1cc(-c2cccnc2OCC2CC2)ccc1-c1cnc2[nH]ccc2n1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CC(C)Oc2ccccc21,0,0,0,0
CCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(CCC#N)c2n1,0,0,0,0
Cc1cc(C[C@@H](OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCCCC3)CC2)cc2cn[nH]c12,0,0,0,0
CC(C)(C)c1ccc(-c2cnc(N)nc2)c(F)c1Oc1cc(N)ncn1,0,0,0,0
COc1ccccc1-c1c(C)nn2c(N3CCN(c4ccc(F)cc4)CC3)cc(C)nc12,0,0,0,0
Cc1ccc(C(=O)Nc2nc(=O)n(C)s2)cc1,0,1,0,0
COc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCOCC2)c2ccccc12,1,1,0,0
CCc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c(Cl)cc(F)cc21,0,0,0,0
COc1ccc(NC(=O)C2=C(C)Nc3c(C(=O)Nc4ccc(C)cc4)cnn3C2c2cccc(Cl)c2)cc1,1,0,0,0
Cc1nn(-c2ccccc2)c(C)c1Cc1ccc(O)cc1,0,1,0,0
COc1ccc(N(Cc2ccccc2)N=O)cc1,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccc(Cl)cc12,0,0,1,0
O=C1CC(C(=O)N2CCC(N3CCCCC3)CC2)C(=O)NC[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,0,0,0,0
CCCn1c(=O)c2c(cc(-c3ccc(O)cc3)n2O)n(CCC)c1=O,0,0,0,0
CCC(C)(C)n1nnnc1C(c1ccccn1)N1CCCCC1,0,0,0,0
CCN(CC)CCCOc1ccc2nc3n(c(=O)c2c1)Cc1ccccc1-3,0,0,0,0
CC(C)CN1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1CCO,0,0,0,0
O=C(O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccccc3)CC21,0,0,0,0
CC(=O)NC[C@H](NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(N)=O)C(C)C)C(C)C)C1CCCCC1,0,0,1,0
CCCc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2cc(Cl)ccc2Cl)cc1,0,0,0,0
CCC1(CC)SC(=NC23CC4CC(CC2C4)C3)NC1=O,0,0,0,0
O=C1C=C(O)C(n2cncn2)C(c2cc(F)ccc2F)C1,0,0,0,0
Cc1cccc(Nc2nc(NC(C)C)nc(Oc3ccc(=O)n(C)n3)n2)c1,0,0,0,0
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O,0,0,0,0
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cccc(Cl)c1C,0,0,0,0
Cc1cnc(CNc2cc(-c3ccccc3C(F)(F)F)ncn2)cn1,1,0,0,0
C=CCNC(=S)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1,0,0,0,0
COC(=O)c1c(Cc2ccc(S(=O)(=O)N3CCNCC3)cc2)c(=O)c2ccc(C)nc2n1-c1ccccc1,0,0,0,0
CCOCC/C=C/c1ccc(-c2nc(-c3ccc(N(CC)CC)cc3)c(-c3ccc(NC)cc3)[nH]2)cc1,0,0,0,0
C#CCOc1c(Br)cc(C=C2C(=O)ON=C2C)cc1OC,0,0,0,0
O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1nnc(-c2ccccc2)o1,1,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1[N+](=O)[O-],0,0,0,0
CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(F)cc1,0,0,0,0
COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(C(C)C(=O)NC2CC2)C(=O)C31C,1,0,0,0
CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,0,0,0,0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0,0,0,0
C=CC(=O)Nc1cc(N2CCOCC2)cc(F)c1Nc1n[nH]c2ccc(O[C@H](C)c3c(Cl)cncc3Cl)cc12,0,0,1,0
O=C(CS(=O)(=O)c1ccccc1)N1CCc2ccccc21,0,1,0,0
NNC(=O)c1cc2c(s1)CCCCCC2,0,0,0,0
COc1ccc(Nc2ncnc3c2c(C)c(C)n3CCCN(C)C)cc1,0,0,0,0
CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2cc(Br)ccc2O)c1,0,1,0,0
CCc1nn(C(C)C(=O)N2CCN(c3ccccc3)CC2)c(=O)c2cc3occc3n12,1,0,0,0
c1ccc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)nc1,0,0,0,0
COCCN(C)Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCc1cccnc1)O2,1,0,0,0
O=C1/C(=C/c2ccc(=O)n(O)c2)Oc2cc(O)ccc21,0,0,0,0
O=NC1C(=O)Nc2c(F)cccc21,0,0,0,0
Cc1c(N(Cc2ccc3c(c2)COC3(C)C)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12,0,0,0,0
O=Cc1cc(-c2cccnc2)cc(F)c1O,0,0,0,0
NCc1ccccc1C1(O)CCN(C(c2ccccc2F)c2ccccc2F)CC1,0,0,0,0
COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4ccc(F)cc4)CC[C@@H]3O)CC2)cc1,0,0,0,0
COc1ccc(Cl)cc1NC(=S)NCCC(c1ccccc1)c1ccccc1,1,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(C(C)C)C2=O,0,0,0,0
C[C@]12CCC(=O)C[C@@H]1CC(CCCCCCCC(N)=O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(F)cc2)cc1,0,0,0,0
O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCCN1CCOCC1,1,0,0,0
CCC1C=NN(C(=NCc2ccccc2)NS(=O)(=O)c2ccccc2Cl)C1,0,0,0,0
CCOc1ncccc1C(=O)OCC(=O)N1CCc2ccccc21,0,0,0,0
COc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)NC1CC1)n2-c1ccccc1OC,1,0,0,0
Cc1ccncc1-c1ccc2cc(Nc3cc(CO)ccn3)ncc2c1,0,0,0,0
CCN(CC)CCNc1ccc2nc(C)n3c4ccc(OC)cc4c(=O)c1c23,0,0,0,0
CC(C)NC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(C2CCCCC2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cn1c(CN2CCCC2)nc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc21,0,0,0,0
CCCN(CC1CC1)c1cc(Nc2c(Cl)cc(Cl)cc2Cl)nc(C)n1,0,0,0,0
CN(C)CCN(C)Cc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,0,0,0,0
Cn1c(N2CCCN(CCCN3c4ccccc4CCc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,0,0,0,0
CCCc1nc(C)c2c(NC(=O)NC)nc3ccc(OC)nc3n12,0,0,0,0
CCOc1ccc(-c2n[nH]c(=S)[nH]2)cc1,0,0,0,0
NS(=O)(=O)c1ccc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)cc1,0,0,0,1
COc1cc([C@@]2(O)CCNC[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
COc1ccc(Sc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccccc12,0,0,1,0
COc1cccc(CC2(CO)CCCN(S(=O)(=O)N(C)C)C2)c1,0,0,0,0
CC(C)(CNc1ccc(Cl)c(CC(=O)NCCON=C(N)N)c1F)c1cccnc1,0,0,0,0
COC(=O)CC1C(=O)NCCN1C(=O)CSc1nc2ccccc2c(=O)n1CC(C)C,0,0,0,0
C=CCOC(=O)N(CC1=C(N2CCCC2)COC1=O)Cc1ccccc1,0,0,0,0
Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(N(C)C)cc2)n1,0,0,0,0
CC(C)Oc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)cc1,0,1,0,0
Cc1ccc(S(=O)(=O)c2cc3c(=O)n4ccccc4nc3n(CC3CCCO3)c2=N)cc1C,1,0,0,0
CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c1,1,0,0,0
COc1cc(OCc2cccc(-c3ccc(C(=O)N4CCOCC4)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CCC(CC)Nc1c2c(nc3c(-c4ccc(OC)cc4C)c(C)nn13)CCO2,0,0,0,0
O=c1[nH]sc2ccccc12,0,0,1,0
Cc1nc2cc(C#N)ccc2n1[C@H]1CCN(C(=O)OC2C3CC4CC2CC(C(N)=O)(C4)C3)C1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Cl)c4)cn3)[C@H]12,0,0,0,0
O=C(/C=C/c1ccc(O)c(O)c1)OCCc1cccc(OCCc2cccc(O)c2)c1,0,0,0,1
CC1(C)CC(C(Nc2cnc(-n3cc(C(F)(F)F)cn3)nc2)c2ccc(C(=O)NCCC(=O)O)cc2)C1,0,0,0,0
CCOC(=O)C1(Cc2ccccc2)CCCN(C(=O)c2cn[nH]c2)C1,0,0,0,0
COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2ccccc2)CC1,0,0,0,0
Cc1cc(C)c(-n2c(Cl)cn3c(CN(CCc4ccccc4)CC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,0,0,0,0
COc1ccccc1COc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C,0,0,0,0
O=C(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C(F)(F)F,0,0,0,0
Cc1noc(C)c1-c1nc(N2CCOCC2)c2ccccc2n1,0,0,0,0
CCCCOc1ccc(C=NNC(=S)Nc2cc(C)ccc2C)cc1,0,0,0,0
COc1ccccc1C1=NS(=O)(=O)N(C)C(C(=O)Nc2cc(OC)c(OC)c(OC)c2)=C1,1,0,0,0
COc1ccc(/C=N/OC(=O)Nc2ccc(Cl)cc2)c(OC)c1,0,1,0,0
COCCN1Cc2cc3cc(C)ccc3nc2SC1=Nc1ccc(OC)cc1,0,0,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc(S(C)(=O)=O)ccc1Cl,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@@H]1CCC[C@@H](CCN(C)C)C1,0,0,0,0
Cc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
COC(=O)c1ccc(N2C(=O)Cc3cc(OC)c(OC)cc3C2c2ccc(F)cc2)cc1,1,0,0,0
FC(F)(Cc1c[nH]c2ccc(-n3cnnc3)cc12)CN1CCC(CCc2ccccc2)CC1,0,0,0,0
Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(-c2cccc(F)c2)cc(F)c1C,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3F)cccc2c1,0,0,0,0
Cc1cc(Nc2ccc(C)c(Br)c2)n2nc(C)nc2n1,1,0,0,0
O=C1OC(OC2CCCCC2)(c2ccccc2)c2ccccc21,0,0,0,0
Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC(O)CC6)cc5c4)n3c2)cn1,0,0,0,0
Cc1ccc(-c2[nH]c3cc(C#N)c(C#N)cc3c2Cl)cc1,0,0,0,0
CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O,0,0,0,0
Cc1nc(CN2CCN(c3nc(NCCc4ccc(O)cc4)nc(N(C)CCCc4ccc(Cl)cc4)n3)CC2)cs1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(S(C)(=O)=O)C[C@@H]1F,0,0,0,0
COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc(-c3ccccc3)cc2)cc1,0,0,0,0
CNC(=O)c1sccc1-n1cccc1,0,0,0,0
CC(=O)N1N=C(c2ccc(C)cc2)CC1c1ccco1,0,0,0,0
O=C(c1cccs1)N1CCc2c(cccc2OCCCN2CCCCC2)C1,0,0,0,0
COc1ccc(C2=NN(CCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC,0,0,0,0
CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
Cc1cccc(-n2c(/C=C/c3cn(C)c4ccccc34)nc3ccccc3c2=O)c1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3)C2)nc(C)c1F,0,0,0,0
COc1ccc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2c1,0,0,0,0
C=CCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O,0,0,0,0
c1ccc(N2CCN(c3nc4ccccc4[nH]3)CC2)nc1,0,0,0,0
COc1ccc(CN2CCO[C@H](COc3cccc(F)n3)C2)cc1Cl,0,0,0,0
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=CC(=O)OCC(=O)NC1CCS(=O)(=O)C1,1,0,0,0
COc1cc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc(OC)c1,1,0,0,0
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCC(C(N)=O)CC3)c2)cc1,0,0,0,0
Cc1ccc2c(C)c(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)oc2c1C,1,1,0,0
COCCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21,0,0,0,0
O=C(OCC1CCOC1)c1cnn2c1n[n+]([O-])c1ccc(Cl)cc12,0,0,0,1
O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccccc1,1,0,0,0
NC(=O)c1nn(-c2ccc(C(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2,0,0,0,0
COc1cnc(-c2cc(Cl)ccc2F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
COC(=O)c1c(C)[nH]c(-c2csc(N)n2)c1C,0,0,0,0
COC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
Cn1cc(-c2cnn3c(N)c(Br)c(C4CCCNC4)nc23)cn1,0,0,0,0
CCCCc1c(O)nc(SCCN(C)C)n(-c2ccccc2)c1=O,0,0,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN3C[C@H]4CC[C@@H](C3)O4)ns2)n1,0,0,0,0
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(C)C[C@@H](C)Cc3ccccc3)O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@]1(C(=O)O)O2,0,0,0,0
CC(=O)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3,0,0,0,0
Cc1cc(Cl)c2oc(C(=O)N(C)C(C)c3ccccn3)c(C)c2c1,1,1,0,0
Cc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)oc2c1ccc1ccccc12,1,0,0,0
CCCC[C@H](C)[C@@H]1CC(=O)N[C@@H](C(c2ccccc2)c2ccccc2)C(=O)N[C@H](CO)C(=O)N[C@H](C2CCCCC2)C(=O)O1,0,0,0,0
Cc1cc(C(=O)CN2C(=O)NC3(CCCc4sccc43)C2=O)c(C)n1-c1ccc(Cl)cc1,1,0,0,0
Cc1ccc(CCNc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)cc1,0,0,0,0
O=C(c1cccs1)N(Cc1nc(=O)c2c3c(sc2[nH]1)CCCC3)C1CCCC1,0,0,0,0
Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2c[nH]c(=O)c(F)c2)n1,0,0,0,0
COc1cc2c(cc1OC)[C@@H]1O[C@](c3ccsc3)(C2)OC2=C1C(=O)OC1(CCCCC1)C2,0,0,0,0
O=C1CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CCN1,0,0,0,0
O=C(c1cccc(-n2cccn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,0,0,0,0
Oc1ccc(C=NNC(=S)N2CCOCC2)cc1,0,0,0,0
Clc1cccc(Nc2nccc(-c3cccc(N4CCNCC4)c3)n2)c1,0,0,0,0
Clc1cccc2c1CN(C1=NCCN1)C2,1,0,0,0
COc1cc(NC(=O)CN2CCN(c3ccccc3O)CC2)c(C)cc1[N+](=O)[O-],1,0,0,0
CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4ccccc4F)ccc3N2C1,0,0,0,0
CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c1ccc(Cl)cc1,0,0,0,0
CCOC(=O)CNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccccc1F,0,0,0,0
COC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2)c1C,0,1,0,0
O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)NCC1CCC(C(=O)O)CC1,0,1,0,0
COc1ccccc1C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1cccs1,0,0,0,0
CC(C)C(C)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1,0,0,0,0
Cc1ccc(NC(=O)CC2CCCC2)c(Br)c1,0,1,0,0
CC(=O)N1C2(C=CC1(C)C(=O)NCCN1CCOCC1)CCCCC2,1,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCC3)cc2)cc1,0,0,0,0
CN(C)c1nc(-c2ccccc2)c2cnn(Cc3ccccc3)c2n1,0,0,0,0
O=C1CCN(Cc2ccccc2)CC1C(c1ccccc1)c1ccccc1,0,0,0,0
C=CCC1(CC(=C)Br)C(=O)NC(=O)NC1=O,0,0,0,0
Cc1ccc(-c2cc(Br)ccc2OCc2ccc(F)cc2F)n1-c1ccc(-c2cnc[nH]2)cc1,0,0,0,0
COCCn1c(N)c(C(=O)NCC2CCCO2)c2nc3ccccc3nc21,1,0,0,1
O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc([N+](=O)[O-])c1,0,1,0,0
CC(C)Oc1cccc(F)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
O=C(CN1CCCCC1)Nc1nc(-c2ccccc2)cs1,0,1,0,0
CC1=C([N+](=O)[O-])C(c2ccccc2)NC(=O)N1,0,0,0,0
CCCC(=O)NC(c1ccc(OC)cc1)c1ccc2cccnc2c1O,0,0,0,0
Cn1c(N2CCCN(CCCN3c4ccccc4CCc4ccc(C(C)(C)C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,0,0,0,0
CSc1nc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c(O)nc(SC)[nH]c2=O)c(=O)[nH]1,0,0,0,0
CCOC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc12,0,0,0,0
CC(C)Cn1c(N)c(C(=O)COC(=O)Cc2cccc(C(F)(F)F)c2)c(=O)n(C)c1=O,1,0,0,0
COc1nc(-c2ccccc2)cc(-c2ccc(OC)c(OC)c2)n1,1,0,0,0
Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cn1nc(C=Cc2ccccc2)ccc1=O,0,0,0,0
Cc1ccc(C2=N/C(=C/c3cccs3)C(=O)N2Nc2ccccc2)cc1,1,0,0,0
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4)oc23)CC1,0,0,0,0
COCC1C(C)C2=C3C(CCC4C(OCc5ccc(F)cc5C(F)(F)F)OCC(C)(C34)N(C(=O)OC(C)(C)C)C2)C1COC,1,0,0,0
Cc1ccsc1/C=N/NC(=O)c1ccccn1,0,1,0,0
O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCCCN3CCC(O)CC3)cc12,0,0,0,0
c1ccc(NCc2ccccn2)cc1,0,0,0,0
O=C(NO)c1ccc(-c2ccn(CCNCc3ccc(-c4ccccn4)cc3)n2)s1,0,0,0,1
O=C(O)CCCCCc1cnccc1CNS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1n[nH]c(Nc2ccc(C(C)C)cc2)c1[N+](=O)[O-],0,0,0,0
CCCCCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC,0,0,0,0
O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1,0,0,0,0
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)CN)c2c1C,0,0,0,0
Cc1cc2oc(=O)cc(CN3CCOCC3)c2cc1O,0,0,0,0
O=C(O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
CC(O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
CCN(c1cccc(C)c1)c1nc2ccsc2c(=O)s1,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cccc(C#N)c1,0,0,0,0
O=c1c2ccccc2ncn1CCOc1ccccc1[N+](=O)[O-],0,0,0,0
CCOC(=O)c1cn2nc(Oc3ccccc3)ccc2n1,0,1,0,0
Cc1cnc([C@H]2[C@H](C(=O)NO)[C@@H]2c2ccccc2)s1,0,0,0,0
NC(=O)c1ccc(N2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])c1,0,0,0,0
CNc1nnc(-c2ccncc2)s1,0,0,0,0
C#CCCC(=O)O/N=C(\C)c1nccs1,0,0,1,0
Cc1ccc(CC[N+]23CCC(CC2)[C@@H](OC(=O)[C@](C)(c2ccccc2)N2CCCCC2)C3)s1,0,0,0,0
COc1cc2c(cc1OC)C(c1ccsc1)CC(=O)N2,0,0,0,0
COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1,0,0,0,0
COc1cccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)c1OC,0,0,0,0
O=S(=O)(c1cccc(C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
CCOC(=O)C1=C[C@@H](CC)N(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1,0,0,0,0
Cc1ccccc1Nc1nc(N)c2ccccc2n1.Cl,0,1,0,0
COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2-c2ccc(O)cc2)cc1,1,0,0,0
CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C,0,0,0,0
O=C(CSc1nnc(CN2CCCCC2)n1-c1ccccc1)c1ccc2c(c1)OCO2,1,0,0,0
COc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)(C)C)ccc1OCC(=O)O,0,0,0,0
CCCOc1ccccc1C=C1C(=O)ON=C1C,0,0,0,0
O=C(O)c1cccc(NC(=S)NN=Cc2c[nH]c3ccccc23)c1,0,0,0,0
CCc1cc(C(=O)NC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1,0,0,0,0
Cc1cc(C)n(-c2ncc(C#N)cn2)n1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C)cc3)c(F)c2)CC1,0,0,0,0
O=C1NC(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)N1,0,0,0,0
Cc1cccc(C)c1N1CCc2cn[nH]c21,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@](C)(O)CO3)C1=O,0,0,0,0
COc1cc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(C)cc1[N+](=O)[O-],1,0,0,0
CC(=O)c1cccc(-c2cc3nc(N)nc(N)c3cc2C)c1,0,0,0,0
CCc1ncnc2cc(OC)c(OCC(O)CNC(C)(C)Cc3cc4ccccc4[nH]3)cc12,0,0,0,0
CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2CN2CCOCC2=O)cc1,0,0,0,0
CC1=C(C)C(=O)N(CCC(=O)O)C1=O,0,0,0,0
O=C1NN(c2ccccc2)C(=O)C1=Cc1ccccc1OCC(=O)N1CCOCC1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](NS(C)(=O)=O)NC1,0,0,0,0
Cc1ccc(-c2csc(NC(=S)NC(=O)c3cc4ccccc4o3)n2)cc1,1,0,0,0
Cc1ccc(NC(=O)Nc2ccc(F)cc2)nc1,0,1,0,0
c1cncc(Cc2cc3ccccc3[nH]2)c1,0,0,0,0
CCOC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
CC1(C)NC(=O)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(NC(N)=O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2F)c1C,0,1,0,0
COc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)cc1,0,0,1,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)CCN1CCCCC21,0,0,0,0
CC(=O)NCCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
C=CCNc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1,0,0,0,0
c1ccc(-c2nnc3c4c(c(OCc5ccco5)nn23)C2CCC4CC2)cc1,0,0,0,1
O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc(Cl)c(Cl)c1,0,1,0,0
CCOC(=O)C1=C(C)C(c2cccc(Oc3ccccc3)c2)NC(=S)N1,0,0,0,0
CN1C(=O)CCC1c1cc2[nH]c(-c3ncc(CCC(=O)O)s3)cc2cc1Oc1ccc(S(C)(=O)=O)cc1,0,0,0,0
CCOc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(O)c2c1,0,0,0,0
O=[N+]([O-])c1cccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2Cc1ccncc1,0,0,0,0
CCNC(=O)Nc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc([C@@H](O)C(F)F)cc2)c1,0,0,0,0
Cn1cc2c(nc(N3CCCCC3)n3nc(-c4ccco4)nc23)n1,0,0,0,0
C#Cc1cn2c(-c3ccc(C(=O)NC)c(C)c3)cnc2c(NCCC(F)(F)F)n1,0,0,0,0
COc1ccc(OC)c(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)c1,1,0,0,0
CC1(C)c2ccc(N3CCC(N4CCCC4)CC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
COc1ccc(NC2=NC(C)(C)CS2)cc1,0,0,0,0
Oc1cccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)c1,0,0,0,0
Cc1cc(C2CCC2)c(-c2nc(OCCO)n[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
C[C@H]1COCCN1Cc1ccc(Nc2nccc(-c3cc(C#N)c(N4CC[C@H](F)C4)c(C#N)n3)n2)cn1,0,0,0,0
COc1ccc(OCC(O)Cn2c(Nc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1,0,0,0,0
CN1CCC(S(=O)(=O)c2ccc(-c3nc(-c4ccc(F)cc4)c(-c4ccncc4)[nH]3)cc2)CC1,0,0,0,0
Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(N)CC3)c2c1=O,0,0,0,0
Cn1ccc2ncnc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)c(F)c3)c21,0,0,0,1
COCCN1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1,0,0,1,0
O=C1c2ccccc2C(=O)N1CCOc1cccc(Br)c1,0,1,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C,0,0,0,0
CC1CN(S(=O)(=O)N2CCOCC2)CCN1S(=O)(=O)N1CCOCC1,0,0,0,0
COc1ccccc1N1CCN(CC(=O)Nc2ccc(C)c(F)c2)CC1,1,0,0,0
COc1ccc(Br)cc1-c1nc(CNC[C@@H]2CCN(Cc3ccccc3)C2)cs1,0,0,0,0
Cc1cc(S(=O)(=O)c2cccc(C(F)(F)F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]n2c1nc1cccc(N)c12,0,0,0,0
Oc1ccc(C2=NN(c3ccccc3)C(c3ccc(F)cc3)C2)cc1,0,0,0,0
CCCCN1CC2(CN1Cc1ccc(-c3ccccc3-c3nn[nH]n3)cc1)C(=O)CCC2=O,0,0,0,0
C=CCOc1ccccc1C(=O)C=C1C(=O)Nc2ccccc21,0,0,0,0
CN(CCCCCc1ccccc1)Cc1ccccc1,0,0,0,0
Cc1cc(NCc2ccccn2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,1,0,0,0
O=C1c2c(n(CCCN3CCCCC3)c3ccccc23)[C@H](Oc2ccc(Cl)cc2)CC1N1CCNCC1,0,0,0,0
COc1ncc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1Cl,0,0,0,0
CC1=CC(=O)C(C(C)C)=C/C1=N\OC(=O)c1cccc2nc(C)oc12,0,0,0,0
CN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1C(=O)O,0,0,0,0
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4)c(F)c3)cc12,0,0,0,0
COc1cc(CNc2cccc(F)c2)cc(Br)c1O,1,0,0,0
CC1(C)CC(=O)C(=CNc2cc(C(=O)c3ccccc3)ccc2N)C(=O)C1,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cc(F)cc(F)c2)cn1,0,0,0,0
N[C@@H](Cn1c2c(c(=O)[nH]c1=O)CSC2)C(=O)O,0,0,0,0
O=C(c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(NC2CCNC2)nc1)C1CC1,0,0,0,0
Cc1ccccc1N1CC(O)(c2cccs2)[N+]2=C1CCCC2,0,0,0,0
CNC(=O)c1n[nH]c2c1C(c1ccccc1OC)N(c1ccc(-c3ccsc3)cc1)C2=O,0,0,0,0
CCCOCCn1c(=O)nc(NCCN2CCOCC2)c2nnc(-c3ccc(OC)nc3)cc21,0,0,0,0
CN1C(=O)c2ccccc2C(C(=O)O)C1c1cccc(Cl)c1,0,0,0,0
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3ccc4[nH]ccc4c3)sc12,0,0,0,0
O=C1N2CCSC2=NC1(Nc1ccccn1)C(F)(F)F,0,0,0,0
CC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
O=C(Nc1nccs1)c1ccc(NC(=O)C2CC=CCC2C(=O)O)cc1,0,1,0,0
CCCc1cc(-c2cccc(C3CC3)c2)nc(C#N)n1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)COC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1cccc(/C=N/NC(=O)c2ccc(=O)[nH]n2)c1O,0,1,0,0
COc1ccc(CCn2cc3c(c2-c2ccccc2Br)c(=O)n(C)c(=O)n3C)cc1OC,1,0,0,0
CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cc1,0,1,0,0
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(F)ccc1-c1ncccn1,0,0,0,0
Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCCC3)c(=O)c2c1,0,0,0,1
Cc1c(P(=S)(c2ccccc2)c2ccccc2)[n+]2ccccc2n1Cc1ccccc1,0,0,0,0
CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,0,0,0,0
COc1ccc(C(C)=O)cc1COC(=O)c1ccc2ccccc2n1,0,0,0,0
CC(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)N2CCCC(N3CCN(c4ccccc4)CC3)C2)c1,1,0,0,0
CCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
Cc1nc2cc(-c3cccc(Cl)c3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,0,0,0,0
COc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)ccc1OCC(=O)N1CCOCC1,1,0,0,0
c1cncc(Oc2cccc(Oc3cccnc3)c2)c1,0,0,0,0
Cn1c(=O)c(-c2cccc(F)c2)nc2cncnc21,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccccc2Cl)c1)C(F)(F)F,0,0,0,0
CC(C)C1(c2ccc(-c3ccc4cccc(F)c4c3)[nH]c2=O)OC(=O)NC1=O,0,0,0,0
O=P(NCc1cccnc1-c1cccc(Cl)c1)(c1ccccc1)c1ccccc1,0,0,0,0
c1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)cc1,0,0,0,0
N[C@H]1Cn2c(nc3cnc(Cl)cc32)C[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
COc1ccc(Nc2cc(-c3cccc(C(=O)O)c3)nn3ccnc23)nc1OC,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2cccs2)cc1,0,0,0,0
CCCCc1nc2ccn(Cc3ccccc3C(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CC(=O)NC(C)Cc1ccc(C#Cc2ccc(C(=O)N3CCCC3)c(C)c2)cc1,0,0,0,0
CCOc1cc([C@@H]2NC(=O)NC(c3ccn(C)n3)=C2c2ccsc2)cc([N+](=O)[O-])c1O,0,0,0,0
COC1CCC2(CC1)Oc1ccc(-c3cccc(C#N)c3)cc1C21N=C(N)N(C)C1=O,0,0,0,0
C=CC(=O)N1CC2(CC(n3nc(C4CCCCC4)c(-c4c(C)ccc5[nH]ncc45)c3C)C2)C1,0,0,1,0
Cc1cccc(C(=O)Oc2ccccc2-c2nnco2)c1,0,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(C(C)C)cc3)CC2)c1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Cl)cc1,0,0,0,0
Fc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,0,0,0,0
N#C[C@@H]1CCCCC1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)CF)cc2)n1,0,0,0,0
CCN(Cc1ccncc1)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1,1,0,0,0
OC1(c2cccc(C(F)(F)F)c2)CCN(CCN2CCCCC2)CC1,0,0,0,0
Cc1ccc(CNS(=O)(=O)c2cnc(N)nc2)cc1,0,0,0,0
Cc1ccc(N(CC(=O)NC(C)(C)C)C(=O)C[S+]([O-])CC(=O)Nc2ccc(F)cc2)cc1,1,0,0,0
CNC(=O)c1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c2C#N)s1,1,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(OCCF)c1,0,0,0,0
CN1C(Cc2ccccc2)C=CC1(C)C(=O)NCC1CC1,1,0,0,0
CCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1,0,0,0,0
CCOC(=O)c1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O,0,0,0,0
O=C(Nc1ccc(F)cc1)N1CCc2ccccc2C1c1ccc(C(F)(F)F)cc1,0,0,1,0
Nn1c(SCc2cccc(F)c2)nnc1-c1cccnc1,0,0,0,0
C[C@@]1(O)CC[C@H]2[C@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4ncc5c4CCCC5)CC[C@@H]32)C1,0,0,0,1
Cc1ccc(CNc2ccc(Cl)cc2[N+](=O)[O-])cc1,0,0,0,0
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(CCc3ccc4ccccc4n3)cc12,0,0,0,0
O=C(Nc1cccc(O)c1)c1cc(-c2cccs2)on1,0,1,0,0
CCCCC(=O)Nc1nnn(CCC)n1,0,0,0,0
Nc1nc(-c2ccco2)nc2c1nnn2CC1CCCCO1,0,0,0,0
COc1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
Cc1nc2nc(SCC(=O)O)nn2c(C)c1Cc1c(F)cccc1Cl,0,0,0,0
Cc1ccc(CSc2nc(=O)c3c(n2C)NC(=O)CC3c2ccc(OC(C)C)cc2)cc1,0,0,0,0
Cc1cc(N2CCOCC2)ccc1C=C[N+](=O)[O-],0,0,0,0
Cc1c(C)c2ccc(OCc3ccc(C(=O)O)o3)c(C)c2oc1=O,0,1,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(C)=O)CC2,0,0,0,0
O=C(NCCCn1ccnc1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,1,0,0,0
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,0,0,0,0
CCCOc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1,0,0,0,0
COc1ccc(-c2noc(N(C)CC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1,0,1,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(=O)N[C@H](C)C(F)(F)F,0,0,0,0
CCN(CC)C(=O)CSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,0,0,0,0
CCc1nn(-c2cc(Oc3ccccc3)nc(-c3ccccc3)n2)c(N)c1C#N,1,0,0,0
CC(C)CCn1ccc(-c2ccc(OC3CCOCC3)c(Cl)c2)c(C#N)c1=O,0,0,0,0
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccccc2)ccc1Cl,1,0,0,0
CCN(CC)CCCCCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(CN(C)Cc3ccccc3)cc1)C2,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3F)cs2)cc1,0,0,0,0
CCCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,0,0,0,0
O=Nc1onc(-c2ccc([N+](=O)[O-])cc2)c1NO,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C4CCCOC4)ncc3F)C2)cc1,0,0,0,0
CCOc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0,0,0,0
COc1cccc([C@@]2(OC)CCCC[C@@H]2CN(C)C)c1,0,0,0,0
Cc1ccc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NCCOc3ccccc3CCCNC2=O)cc1,0,0,0,0
CN1C(=O)N(C)C2C1NC(=O)N2N=Cc1ccccc1,0,0,0,0
COc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccccc2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,1,0,0,0
O=C1c2c(OC3OC(CO)C(O)C(O)C3O)cc(O)cc2OC1(O)Cc1ccc(O)cc1,0,0,1,0
CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@H]5CCC[C@@H]5O)c4n3)nc2)CC1,0,0,0,0
Cn1c2ccccc2c2cc(/C=N/NC(=O)c3cc(O)cc(O)c3)ccc21,1,1,0,0
c1cnc(-c2c[nH]c3ncnc(N4CCOCC4)c23)cn1,0,0,0,0
O=C(NCC1CCCO1)C1CSC2c3ccccc3C(=O)N12,1,0,0,0
CCCCC1C(=O)NC(=O)N(C2CCCCC2)C1=O,0,0,0,0
COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(C#N)cc1,0,0,0,1
CN(C)S(=O)(=O)N(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1,1,0,0,0
CCCOc1ccc(Cl)cc1C=C1C(=O)ON=C1C,0,0,0,0
O=C1CCC(c2ccccc2)=NN1c1nc2ccccc2s1,0,0,0,0
O=CC1CC=CCC1,0,0,1,0
COc1ccc(/C=N/NC(=O)Cc2cccs2)cc1,0,1,0,0
O=C(c1ccccc1)N(C(=O)c1ccccc1)c1nc2ccccc2n2c(=O)n(-c3ccccc3)nc12,0,0,0,0
COc1cc2c(Nc3ccc(OC4CCCCC4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1,0,0,0,0
CCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(=O)COC)cc3)cn2)cc1,0,0,0,0
CC(C)N1C(=O)CCC1C(=O)N1CCN(c2ccccn2)CC1,0,0,0,0
Cc1ccc(Nc2nc3ccccc3n3cnnc23)c(Cl)c1,0,0,0,0
C/C(=C\c1ccco1)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0,0,0
O=S(=O)(NCC1CC1)c1ccc(Nc2cccnc2Cl)cc1C(F)(F)F,0,0,0,0
COc1ccc(C(=O)Nc2ccc3ccccc3n2)cc1OC,0,1,0,0
CN(C)C(=O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C1NCC(=O)N2C1Cc1c([nH]c3ccccc13)C2c1ccccc1,0,0,0,0
Cc1noc(C)c1C(=O)N1CCCC2(CCN(Cc3ccc(C#N)cc3)C2)C1,0,0,0,0
Cc1cccc(Cl)c1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1,0,0,0,0
c1ccc(CCNc2nc(-c3ccccn3)cs2)cc1,0,1,0,0
Nc1cccc2c1C(=O)N(CCOc1ccccc1F)C2=O,0,1,0,0
COc1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1OC,0,0,0,0
Cc1cccc2nc(C(F)(F)F)nc(=O)n12,0,0,0,0
CCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,0,0,0,0
CCOC(=O)c1cc(Cl)c2c(ccc3ccccc32)n1,0,0,0,0
COc1ccccc1NC(=O)c1sc2ncn(Cc3cccc(C)c3)c(=O)c2c1C,1,0,0,0
CCCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O,0,0,0,0
O=C(Nc1onc2c1CCCC2)c1ccccc1,0,1,0,0
COC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3,0,0,0,0
Clc1ccc(Sc2cn(-c3ccccc3)nc2-c2ccc3c(c2)OCCO3)cc1,0,0,0,0
O=C(c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1)N1CCOCC1,0,0,0,1
O=C(NCC1OCCc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1,1,0,0,0
Cc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1,0,0,0,0
C[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N([C@@H](CS(=O)(=O)N2CCOCC2)C2CC2)C1=O,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ccc(F)c(Br)n2)CC1,0,0,0,0
CCN1CCCC(CO)(Cc2ccccc2)C1,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(CCN(C)C)CC2,0,0,0,0
COC(=O)c1ccc(CN2CCN(Cc3ccc(F)cc3)C(CCO)C2)cc1,0,0,0,0
O=C(NCC1OCCc2ccccc21)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1,1,0,0,0
CCC(C)NC(=S)N1CCN(Cc2ccccc2)CC1,0,0,0,0
CNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1,0,0,0,0
Cc1nc2c(s1)-c1nc(Nc3cccc(O)c3)ncc1CC2,0,0,0,1
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccc(C)cc1C)NC2,1,0,0,0
O=C1CCC(Cc2cccc(CCNS(=O)(=O)c3ccc(Cl)cc3)c2)=C1O,0,0,0,0
O=C(O)CCc1ccc(NCc2cccc(C(F)(F)F)c2)cc1,0,0,0,0
C/C(=N\OC(CCCc1ccc(F)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1)C(=O)O,0,0,0,0
COc1ccc(-n2nc3c(N4CCC(C(=O)NCCc5ccco5)CC4)nnc(C)c3c2C)cc1,1,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(C(=O)O)cc2)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3cccc(Cl)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,0,0,0,0
O=C(c1cnccn1)N1CCCC2(CCN(c3ccccc3)C2)C1,1,0,0,0
O=C(c1nn(-c2ccc(F)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
CC(C)c1ccc(S(=O)(=O)/N=C2/C=CC(=O)c3ccccc32)cc1,1,0,0,0
CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
CC(C)n1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,0,0,0,0
Cc1c(N(Cc2ccccc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2ccccc12,0,0,0,0
Cc1nc(N(C)C)c2sc(=S)n(C)c2n1,1,0,0,0
c1coc(-c2nc3nc[nH]c3cc2-c2ccncn2)c1,0,0,0,0
Nc1cc(=O)nc(N2CCN(c3ccccc3)CC2)[nH]1,0,0,0,0
O=C1SC(SCc2ccccc2)=NC1=Cc1ccco1,0,0,0,1
CCOc1ccc(CNc2cc(C)nc3nc(-c4cccc(C)c4)nn23)cc1OC,1,1,0,0
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
COc1ccc(-c2nc3ccc(C(=O)NCC(OC)OC)cc3nc2-c2ccc(OC)c(OC)c2)cc1OC,1,0,0,0
O=C(COc1ccc2oc(-c3ccccc3)cc(=O)c2c1)Nc1ccccc1,1,0,0,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
COC(CNC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O)OC,0,0,0,0
CCCCCCCCc1ccc(-c2noc(C[C@@H]3CCCN3C(=N)N)n2)cc1,0,0,0,0
Cc1cccn2c(=O)c(C=C(C#N)C(N)=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12,0,0,0,0
CC(C)Oc1cc2c(-c3cc(N4CCn5ncnc5C4)ncn3)n[nH]c2cc1F,0,0,0,0
NC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N,0,0,0,0
CS(=O)(=O)Nc1ccc(F)cc1C(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1,0,0,0,0
COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CC(C)CC4)cc1,0,0,0,0
O=c1c([N+](=O)[O-])c(O)c2ccccc2n1Cc1ccccc1,0,0,0,0
Cn1c(=S)n(/N=C/c2ccc3c(c2)OCO3)c2ccccc21,0,0,0,0
CCC1CN(C(=O)N2CCC(C(=O)Nc3ccccc3OC)CC2)c2ccccc2O1,1,0,0,0
Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2cccnc2)c(C)c1,0,0,0,0
CCN1/C(=C2\C(=O)N(C)C(=S)N2C)C=Cc2cc(OC)ccc21,0,0,0,0
Cc1ccc(-n2cc(CN3CCN(c4ccccn4)CC3)c(-c3ccc(F)cc3)n2)cc1,0,1,0,0
O=C(NO)c1ccc(-c2ccn(CCOc3ccccc3)n2)s1,0,0,0,1
CCN(CC)c1nn2c(=O)c(C(=O)NCc3ccc(OC)cc3OC)cnc2s1,1,0,0,0
C=CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,1,0,0,0
Cc1cc(C)cc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1,0,0,0,0
c1cnc(N2CCN(Cc3cccc(-c4ccsc4)c3)CC2)nc1,0,0,0,0
COc1ccccc1-n1c(C=Cc2c(C)n(C)c3ccccc23)nc2ccccc2c1=O,1,0,0,0
CC(=NNC(=S)Nc1ccccc1C)c1ccc(O)cc1,0,0,0,0
Nc1ncnn2c(CN3CCNCC3)cc(-c3ccc(CO)cc3)c12,0,0,0,0
NCCNC(=O)c1cncc(-c2cnc(Nc3ccccc3Cl)s2)c1,0,0,0,0
C#CC12C=C(C#N)C(=O)C=C1c1c(Cl)cccc1CC2,0,0,1,0
Cc1nc(C)c(CNc2nc(OCC3CC3c3cc4ccccn4n3)nc(Cl)c2C)s1,0,0,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2ncccc2OC)cc1,0,0,0,0
COC[C@@H]1CCCN1c1nc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cs1,0,0,0,0
COc1cc(C2N3CC4(C)CN2CC(C)(C3)C4)ccc1O,0,0,0,0
COc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)CC1,0,0,0,0
CCOC(=O)C1=C(C)SC2=NS(=O)(=O)CCN21,0,0,0,0
CC(C)(C)OC(=O)N1CCC(C(=O)NC(Cc2ccccc2)C(=O)O)(c2ccccc2)CC1,1,0,0,0
S=c1[nH]nc(Cc2ccccc2)n1-c1cccc2ccccc12,0,0,0,0
O=S(=O)(Nc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,0,0,0
COc1cc(C=NNc2cc(=O)n(C)c(=O)n2C)ccc1O,0,0,0,0
CCOCCCn1c(SC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)nnc1-c1ccc(Cl)cc1,1,0,0,0
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2ccccc2C1,0,0,0,0
CN1CCN(c2cc(Br)cc3c2C(=O)CCN3S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0,0,0
CCCCCCC(C)(C)c1cc(O)c(C2CCCCC2)c(O)c1,0,0,0,0
CCCC[C@H](C)Nc1ncnc2c(C(N)=O)cccc12,0,0,0,0
CC(C(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1)N(C)C,0,0,0,0
Cc1ccc(S(=O)(=O)N2C(c3ccc4c(c3)OCO4)CC=C(C(=O)O)C2c2ccccc2)cc1,0,0,0,0
COc1ccc(C(=O)C=C2c3ccccc3CC(C)(C)N2C)cc1,1,0,0,0
O=C1CCC(C(=O)OCC(=O)c2c[nH]c3ccccc23)=NN1,0,0,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C3(N4C[C@@H](C)O[C@@H](C)C4)CC3)ns2)n1,0,0,0,0
Cc1cnc(SCc2cnc(C)nc2N)nc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C(C)O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
COc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)NC4CC3(C)Oc3c(OC)cccc34)c2)CC1,1,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C#N)cc21,0,0,0,0
CSc1ccccc1N/C=C1\N=C(c2ccccc2)OC1=O,0,0,0,0
Cc1nc(N2CCCCC2)c(C#N)c(C)c1[N+](=O)[O-],0,0,0,0
O=C1C(=O)N(Cc2ccc(Cc3ccc(CN4C(=O)C(=O)c5ccccc54)cc3)cc2)c2ccccc21,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1ccc(F)c(Cl)c1)C2c1ccc(F)cc1,1,0,0,0
CS(=O)(=O)c1nc(-c2cccs2)ccc1C#N,0,0,1,0
CC1(N(O)C=C2C=CC(=O)C=C2)CCCCC1=O,0,0,0,0
COc1ccc(OC)c(CN(C(C)=O)c2cc(F)ccc2Oc2ccccc2)c1,0,0,0,0
NC(=O)c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
Cc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1,0,0,0,0
Cc1ccc2nc(Nc3ccc(C)c(C)c3)c3nncn3c2c1,0,0,0,0
Cc1cccnc1NC(=O)Nc1cccc(C(F)(F)F)c1,1,0,0,0
CN1CCN(c2nc3ccccc3c3ccccc23)CC1,0,0,0,0
CC#CCn1c(N2CCCC(N)C2)nc2c1c(=O)n(Cc1nc(C)cc3ccccc13)c(=O)n2C,0,0,0,0
O=c1cccc2n1CC1CC2CN(c2ncnc3c2cnn3-c2ccc(Cl)cc2)C1,1,0,0,0
CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O,0,0,0,0
CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1nc(-c2cccnc2)n[nH]1,0,0,0,0
CCOc1ccc(Oc2nc(C)cc(OC)n2)nn1,0,0,0,0
Cc1csc(/C(C#N)=N/O)n1,0,0,0,0
Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1.O=C(O)C(=O)O,0,1,0,0
O=c1oc2cc(OCCO)ccc2c2c1CCCC2,0,0,0,0
O=C(CCCCCCNC(=O)c1ccc(N(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)NO,0,0,0,0
Cc1cccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)c1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)N[C@H]2CCN(c3cccc4c3cnn4-c3ccc(F)cc3)C2)c(C)c1,0,0,0,0
COc1ccc(-c2noc(=O)n2Cc2ccccc2Cl)cc1,0,0,0,0
CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(OC)c(OC)c1)C(=O)NCCOC,1,0,0,0
COc1ccc(C(=O)C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c(OC)c1,1,0,0,0
CCOc1ccc(Oc2c(Cl)cnn(-c3cc(C)cc(C)c3)c2=O)cc1,0,0,0,0
COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)cc1,1,0,0,0
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(C)(=O)=O)C2CC2)C1=O,0,0,0,0
O=C(COC(=O)c1cccs1)NCc1ccco1,0,0,0,1
CCCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,0,0,0,0
CC1(C(=O)O)C=CCN1C(=O)c1ccccc1,0,0,0,0
Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O,0,0,0,0
CCC(CC)COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1,0,0,0,0
Cc1c(C(=O)NCCO)sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c12,0,0,0,0
Cc1nn2c(nc1=O)SCC(c1ccccc1)=N2,0,0,0,0
CC(=O)N1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1,0,0,0,0
CCOc1ccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)cc1OC,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC(C)C)cc3)oc2c1,0,0,0,0
CC1CCC2(OC1)OC1CC3C4CCC5CC(O)CCC5(C)C4CC(=O)C3(C)C1C2C,0,0,0,0
CCCS(=O)(=O)Nc1cc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c(F)c1,0,0,0,0
COc1ccc(C/C(N)=N/OC(=O)C(c2ccccc2)c2ccccc2)cc1OC,0,0,0,0
O=P1(Nc2ccc(F)cc2)COc2ccccc2OC1,0,0,0,0
Cc1c(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c(=O)n(C)c(=O)n1C,0,0,0,0
Cc1cc(F)ccc1NCc1ccc([N+](=O)[O-])cc1,0,0,0,0
Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2ccccc2)C1=O,1,0,0,0
CC(C)C[C@H](NC(=O)C1CCN(C(=O)Nc2cnccn2)CC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,0,0,1,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cc32)cc1C,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](S(C)(=O)=O)NC1,0,0,0,0
CNC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,0,0,0,0
Nc1nc(-c2ccn3c(-c4cncc(NC(=O)NCC(F)(F)F)c4)cnc3c2)ncc1F,0,0,0,0
COc1ccc([C@@H](C)c2cc3c(cc2O)OCO3)cc1,0,0,0,0
CCn1c(SCC(=O)N2CCCC2)nnc1-c1ccc(S(=O)(=O)N2CCCCCC2)cc1,1,0,0,0
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)ccc1Cl,1,0,0,0
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1NCCN1CCOCC1,0,0,0,0
O=C(c1cccc(Br)c1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0,0,0
CC(C)Nc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12,0,0,0,0
CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCCc1ccc(OC)c(OC)c1,1,0,0,0
COCCNC(=O)c1c(N)sc2c1CCCC2,1,0,0,0
Cc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)C2c2cccc(Cl)c2)cc1,1,0,0,0
CCN(CC)c1ccc(/C=C(\C#N)c2ccccn2)cc1,0,1,0,0
C[C@@H](O[C@H]1CC[C@@H]2CN(C)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
CC(NC(=O)C1(c2ccccc2)CCN(C(=O)C2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)O,1,0,0,0
Nc1nc(C(=O)N2CCC(C(=O)NO)(S(=O)(=O)c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3)CC2)c(N)nc1C(=O)N1CCCC1,0,0,0,0
COC(=O)c1ccccc1NC(=O)C1=CC(c2ccc(C)cc2)=NS(=O)(=O)N1C,1,0,0,0
O=C1NC(=O)C(=Cc2cn(CC(=O)N3CCOCC3)c3ccccc23)S1,0,0,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)c(OC)c(OC)c1,0,0,0,0
O=C(C=Cc1cn(CC(O)CN2CCCCCC2)c2ccccc12)c1ccc(Br)cc1,1,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=CC(=O)O)cc1[N+](=O)[O-],0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3OC(OCCO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
O=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1,0,0,0,0
CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccc(Br)cc3)(C2)C1,0,0,0,0
[C-]#[N+]c1cc(-c2ccnc(Nc3cnn(CCOC)c3)c2)ccc1OCC1CCN(C(C)=O)CC1,0,0,0,0
Cc1ccc(-n2[nH]c(C)c(C=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2=O)c(C)c1,0,0,0,0
CCCC(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12,0,0,0,0
Cn1c(=O)c2cn3c(c2n(C)c1=O)C(c1ccccc1)CC(c1ccccc1)=N3,0,0,0,0
Cc1cc(C)c2c(N)c(C(=O)NN3CC(=O)N(c4cccc(Cl)c4)CC3=O)sc2n1,1,0,0,0
CC(O)(C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1n[nH]c(C2CC2)n1)CO,0,0,0,0
O=S(=O)(c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1)N1CCCC1,1,0,0,0
CN1CCN(C2=C(Cl)C(=O)N(c3ccccc3Cl)C2=O)CC1,0,0,0,0
COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccccc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1,0,0,0,0
NC(=O)C1CCN(C(=S)c2cccs2)CC1,0,0,0,0
CCOc1ccc(-c2cc(OC(=O)c3ccc(OC)cc3)c3c(C)oc(C)c3c(=O)c2)cc1,0,0,0,0
Cc1c(Cl)cccc1Nc1nc(N)nc(CSc2nc3ccccc3s2)n1,1,0,0,0
Cc1nc(=O)c2cc3ccccc3cc2[nH]1,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)NO)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
COc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(-c2noc(C)n2)c1,0,0,0,0
CC(=O)N1CCc2cc(F)ccc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
CCOC(=O)C(=NNc1ccccc1)S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc2cc(-c3cc(C(=O)OCC(=O)NC4CCS(=O)(=O)C4)c4ccccc4n3)ccc2c1,0,1,0,0
C=CCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,0,0,0,0
O=S(=O)(NCCSCc1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2,0,0,0,0
CCOc1cc(CNc2ncc(-c3ccc(OC)cc3)n2C)ccc1O.O=C(O)C(=O)O,0,0,0,0
CCOC(=O)c1ccc(NC(c2ccc(N(C)C)cc2)P(=O)(OC(C)C)OC(C)C)cc1,1,0,0,0
Cc1c(-c2ccccn2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ncc(-c3cn[nH]c3)cc21,0,0,0,0
COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)N(C)C,0,0,0,0
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(Oc4ccccc4)cc3)n2)CC1,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2N2CCCC2)C1,0,0,0,0
Cc1cc(N=CC2=C(O)CC(C)(C)CC2=O)no1,0,0,0,0
O=C(O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,0,0,0,0
Nc1nc2cc3c(cc2s1)C(=O)[C@@H]1C2CCCC[C@]32CCN1CC1CCC1,0,0,0,0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(CCCC(=O)O)ccc3OC(F)(F)F)cc21,0,0,0,0
C[C@H](Nc1nc(NC2CCC(N)CC2)nc2c1ncn2C1CCCC1)c1ccccc1,0,0,0,0
COCc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)c(Cl)[nH]1,0,0,0,0
Cc1ccc(F)cc1Oc1c(C(=O)N2CCNCC2)c2ccccc2n1[C@H]1C=CCCC1,0,0,0,0
COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)cc1OC,0,0,0,0
Cc1ccc2c(c1)c(C1=NC(=S)NC1=O)c(O)n2C,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC[C@H](O)C[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12,0,0,0,0
O=c1[nH]oc(C2CCNCC2)c1-c1ccc(Oc2ccccc2)cc1,0,0,0,0
CCCCCCN1C[C@H](n2cc(COC(=O)c3ccccc3)nn2)[C@@H](O)C[C@@H]1c1ccc(Cl)cc1,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccccc1OC(F)(F)F,0,0,0,0
NCCSc1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
COc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OC,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)NC(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(C(C)(C)C)cc1,1,0,0,0
COc1ccc(OC)c(NC2=NCCS2)c1,0,0,0,0
O=S1(=O)N(CC2CNCCO2)c2ccccc2N1c1ccccc1,0,0,0,0
COC1=C(S(N)(=O)=O)C2NS(=O)(=O)c3cnccc3N2C=C1,0,0,0,1
CCOc1cc(C(=S)N2CCCC2)ccc1OC,0,0,0,0
O=c1c(/C=N/c2ncn[nH]2)coc2cc(Br)ccc12,0,0,0,0
Nc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1[N+](=O)[O-],0,0,0,0
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H]2C[C@H](N=C(N)N)CN2C(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,0,0,0,0
CCOC(=O)CSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,0,0,0,0
CC(=CC(=O)O)C(=O)Nc1nccs1,0,0,0,0
CN(C)C1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1,0,0,0,0
O=C(NC1CCCCC1)C(c1cccs1)N(CCCN1CCOCC1)C(=O)c1ccc(-c2ccccc2)[nH]1,1,0,0,0
COC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O,1,0,0,0
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5cn(C)cc5-c5ccc(Cl)cc5)c4)CC3)cc2)cc1[N+](=O)[O-],0,0,0,0
NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,0,1,0,0
CNC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,0,0,0,0
COC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3,1,0,0,0
COc1nc(CO)ncc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
CCC1CCC(c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1,0,0,0,0
CC(C)(C)OC(=O)C1CC[C@@H](C#N)C(n2cc(C(N)=O)c(Nc3ccccc3)n2)C1,0,0,0,0
CC1OC(OCC2OC(OC(CCCCc3ccc(O)cc3)CCc3ccc(O)cc3)C(O)C(O)C2O)C(O)C(O)C1O,0,0,1,0
O=C(Nc1ccc2snnc2c1)Nc1cccc2ccccc12,0,1,0,0
COC(=O)CNC(=O)C1(CC(C)C)C=CCN1C(=O)c1ccccc1,0,0,0,0
Cc1nc(C)c(-c2ccc(SCc3ccccc3C)nn2)s1,1,1,0,0
CC1(C)OC(=O)CC1C(=O)NCc1ccccc1,0,0,0,0
CC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1,0,0,0,0
Cc1cc(Nc2nc(CCN)cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
C=CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O,0,0,0,0
OC1(c2ccc(Cl)cc2)c2ccccc2C2=NCCN21,0,0,0,0
Fc1cccc(CNc2cccc(-c3cc(NC4CCOCC4)ncc3Cl)n2)c1,0,0,0,0
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(Cl)cc1,0,0,0,0
CCCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
CCOc1ccc(C=O)cc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2nc(-c3ccccc3)co2)c1,0,0,0,0
CCOc1ccccc1OCCCCOc1ccccc1F,0,0,0,0
O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Nc5ccccc5Cl)nc34)cc12,0,0,0,0
CC(C)C(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1,0,0,0,0
CC(C)n1nc(-c2cnc(N)c(OC(F)(F)F)c2)cc1C(C)(C)C#N,0,0,0,0
CN(C)CCNC(=O)c1scc2c1CCCC2,0,0,0,0
COc1cc2ccccc2c2c1CCCC2=O,0,0,0,0
CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1ccc(O)cc1,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4OC)C3)c2cc1OC,0,0,0,0
CC(C)C(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1,1,0,0,0
O=C(O)c1cncc(Cc2cc(Cl)ccc2OCc2ccccc2)c1,0,0,0,0
COc1nn2cc(-c3ccc(Cl)c(Cl)c3)nc2s1,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnc(N)c1,0,0,0,0
O=[N+]([O-])c1ccc(N2CCOCC2)c2cccnc12,0,0,0,0
Cc1nn(-c2ccc(F)cc2)c(O)c1C=Nc1sc2c(c1C#N)CCCC2,1,0,0,0
CCCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
NC(=O)c1ccc(N2CCN(c3ccc(O)cc3)CC2)c([N+](=O)[O-])c1,0,0,0,0
CCc1ccc(N2C(=O)Cc3c2nc(N)c(C#N)c3N)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
COc1ccc(-c2csc(N3C(=O)CNC3=S)n2)cc1,1,1,0,0
O=C1CC(c2cccc(O)c2)c2c([nH]c(SCc3ccccc3F)nc2=O)N1,0,0,0,0
Clc1ccccc1C1SCC2Nc3ccccc3CN21,0,0,0,0
O=C(COc1cccc(NC(=O)c2ccco2)c1)c1ccccc1,0,1,0,0
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(C3CCOCC3)c2n1,0,0,0,0
O=c1[nH]c(SCc2n[nH]c(=S)n2-c2ccccc2)nc2ccccc12,0,0,0,0
Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
Cc1ccc(C2=NN(CCC(=O)NCCC(C)C)C(=O)CC2)cc1,0,0,0,0
COc1ccccc1-n1c(-c2ccc(C)cc2)cn2c3c(=O)n(C)c(=O)n(C)c3nc12,0,0,0,0
CCOc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC(F)(F)F)c12,0,0,0,0
CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1,0,0,0,1
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(NC(C4CC4)C4CC4)nc23)[nH]1,0,0,0,0
CCN1C(=O)C2C(c3ccc(SC4CCCCC4)cc3)N3CCCC3(C(=O)OC)C2C1=O,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C(N)=O)c2)cn1,0,0,0,0
O=C(c1ccccc1)c1ccccc1C(=O)N1CCCC1,0,0,0,0
CN1c2ccc(NC(=O)CCCCCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21,0,0,0,0
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(OC3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O,0,0,0,0
CSc1ccccc1N1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CO3)CC1,0,0,0,0
Nc1ncnc2c1sc1cc(-c3ccc(CO)cc3)ccc12,0,0,0,0
CCc1ccc(C(=O)Nn2cnc3ccccc3c2=O)cc1,0,1,0,0
CCc1ccc(C2NC(=O)c3[nH]nc(-c4cccc(OC)c4)c32)cc1,0,0,0,0
CC1CN(c2cnn(C(C)C)c(=O)c2Cl)CC(C)O1,0,0,0,0
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1,0,0,0,0
CN1C(=O)N(CC(COc2ccc(-c3ccccc3)cc2)N(O)C=O)C(=O)C1(C)C,0,0,0,0
COc1ccc2c(=O)n(CCO)c(C#N)c(-c3cccc(F)c3)c2c1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccc(F)cc2)c2cccc(Cl)c2)CC1,0,0,0,0
COc1c(C=O)c(C)c(Cl)c(OC(=O)Cc2ccccn2)c1C/C=C(C)/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C,0,0,0,0
Brc1cc2c(cc1/C=N/Nc1nc3ccccc3s1)OCO2,1,0,0,0
CC1=C(C(=O)OC(C)(C)C)C(c2cccc3ccccc23)NC(=O)N1,0,0,0,0
Cc1nn(-c2cc(Cl)cc(Cl)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
CC1CCCN(c2ccc(C(=O)Nc3nnc(C4CC4)s3)cc2[N+](=O)[O-])C1,1,0,0,0
N#C[C@@H]1C[C@@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)c(F)c2)n1,0,0,0,0
CCc1cc(CNC(=O)CCc2nnc(CCCc3ccccc3)o2)on1,0,1,0,0
CN1CCn2c1nc(N1CCCCC1)nc2=O,0,0,0,0
C[C@H](CO)Nc1nc(SCc2ccco2)nc2nc(N)sc12,0,0,0,0
COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cnccn4)c4ccccc43)CC2)C(C)C)c1,0,0,0,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(/N=C/c3c(C)[nH]n(-c4ccccc4)c3=O)cc2)n1,1,0,0,0
O=[N+]([O-])c1c(NCCCO)cc(Sc2ccc(Cl)cc2)c2nonc12,0,0,0,0
Cc1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1,0,0,0,0
COc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3cc(F)ccc3C)[nH]c2=O)cc1Cl,0,1,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)ccc3c2=O)cc1,0,0,0,0
CCC(=O)NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,0,0,0,0
CC(=NN=c1scc(C)n1Cc1ccco1)c1cccc([N+](=O)[O-])c1,1,0,0,0
Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3C)cc2N)cc1,1,0,0,0
C/C(=C\c1ccc(Cc2cccnc2)cc1)C(=O)O,0,0,0,0
Cc1ccc(OCCn2cnc3cc([N+](=O)[O-])ccc3c2=O)cc1,0,0,0,0
c1cnc(Nc2nc(-c3ccc4ccccc4c3)cs2)nc1,1,0,0,0
CC1CCCC(C)N1CCCCN1C(=O)C(c2cccc(C(=N)N)c2)Oc2ccccc21,0,0,0,0
O=C(c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1,0,0,0,0
CC1CCCN(c2ccc(C(=O)NCC3CCCO3)cn2)C1,1,0,0,0
Cc1cc(C)c(NC(=O)CN(C)C(=O)C2CC(=O)N(c3cccc4ccccc34)C2)c(C)c1,1,0,0,0
C=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(CC)CC5)cc4OC)nc32)c1,0,0,0,0
COc1cc(/C=C(/C(=O)c2cccs2)c2nc3ccccc3[nH]2)ccc1O,0,1,0,0
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC,0,0,0,0
Cc1c(NC(=NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1ccc(-c2[nH]nc3c2C(c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1,0,0,0,0
CC(C)CN1CC2(CCN(C(=O)c3cnccn3)CC2)C1,0,0,0,0
CC(C)C1=N[C@H]2CC[C@]34C[C@]35C(=O)C[C@]3(C)[C@@H]([C@H](C)N(C)CCc6ccccc6)[C@H](O)C[C@@]3(C)[C@@H]5CC[C@H]4[C@]2(C)CS1,0,0,0,0
COc1ccc2c(c1)CC/C2=N\OC(=O)c1cccc(C)c1,0,1,0,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1,0,0,0,0
CCOc1cccc2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12,1,0,0,0
Clc1cccc(C2=NCCCC2)c1,0,0,0,0
CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)n(C)n2)n1,1,0,0,0
CCOC(=O)[C@H](O)[C@H](Nc1ccc(S(N)(=O)=O)cc1)c1ccccc1,0,0,0,0
COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(C4CCCCC4)CC3)cn2)c(F)c1,0,0,0,0
COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC(COC)C3)cc2)CC1,0,0,0,0
O=C(COc1ccc(Cl)cc1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1,1,0,0,0
CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(NCCc2ccccc2)c2sccc23)cc1,1,0,0,0
COc1ccc(C(NC(=O)C(C)C)c2ccc3cccnc3c2O)cc1,0,0,0,0
COc1cccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)c1,0,0,0,0
O=C1CCNc2c(Cl)cccc21,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1Cl)C2c1ccc(OC)cc1,1,0,0,0
COc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
CC(C)c1ccc2c(=Nc3ccc(Oc4ccccc4)cc3)c3cc(O)c(O)c(O)c3n(C(=O)c3ccc(C(C)(C)C)cc3)c2c1,0,0,0,0
COc1cccc(CNc2nc3c(-c4cccc(C)c4)nnn3c3ccccc23)c1,0,0,0,0
CC(C)(C)c1cc(C(=S)N2CCCC2)cc(C(C)(C)C)c1O,0,0,0,0
COC(=O)CNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
CC1CCCN(CCOc2ccc(Br)cc2)C1,0,0,0,0
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1,1,0,0,0
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COCC6CNCCOC6)c45)ccc32)c1,0,0,0,0
CCOC(=O)c1c(C)oc2c1/C(=C/NCC1CCCO1)C(=O)c1ccccc1-2,0,0,0,0
N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)cc4)nc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1,0,0,1,0
Cc1cc(-c2c(-c3ccccc3)c3cc(C#N)ccc3[nH]c2=O)on1,0,0,0,0
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1,0,0,1,0
CCCOc1ccc(-c2nc(OC)c3ccccc3n2)cc1,0,1,0,0
CCOC(=O)Cc1csc(C(N=O)C(N)=O)n1,0,0,0,0
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)N(C)C)cc1,0,0,0,0
CCN(/N=C/C=C/c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,1,0,0,0
Cc1ccc(Oc2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(N=O)N4CCN(C5CCCCCC5)CC4)cc3)NC(=O)NC1=O)C2,0,0,0,0
Cc1nnc2n1-c1sc(-c3cc(=O)[nH][nH]3)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
O=c1c2cc(NC(=S)NCc3ccccn3)ccc2nc2n1CCCCC2,0,0,0,0
COC1=CC(=Cc2c(-c3ccccc3)[nH]oc2=O)C=C(Br)C1=O,0,0,0,0
COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1OC,1,0,0,0
O=C(Nc1nnc(CSCc2ccccc2)s1)c1cccs1,1,0,0,0
Cc1cc2c(cc1-n1cnc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C,0,0,0,0
COc1cccc(NC(=O)NCCC2=CCCCC2)c1,0,1,0,0
CCC(C)Oc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC,0,0,0,0
CC(=O)Oc1ccc2occ(C(=O)c3cccs3)c2c1,0,1,0,0
COc1ccccc1N1CCC(CNCC2COc3ccc(Cl)cc3O2)CC1,0,0,0,1
CCCCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,1,0,0,0
Nc1ccc2nc(SC3=C(O)CC(c4ccccc4)CC3=O)[nH]c2c1,0,0,0,0
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cc(F)cc12,0,0,0,0
Cc1c(C)c2cc(O)c(OCc3ccccc3)cc2oc1=O,0,0,0,0
COc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2C)cc1Br,0,0,0,0
CC1=NC(Nc2nc(C)c3cc(C)cc(C)c3n2)NC(=O)C1C,1,0,0,0
CN(c1ccc(F)c(NC(=O)c2cccc(OC(C)(C)C#N)c2Cl)c1)c1ccc2nc(NC(=O)C3CC3)sc2n1,0,0,0,1
c1ccc(C2CCc3cc(Oc4ncc(CNCc5ccncc5)s4)ccc3O2)cc1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1C,0,0,0,0
CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)C(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
COc1cc(C2C3C(=O)CC(c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc(OC)c1OC,0,0,0,0
COc1ccc(/C=N/NC(=S)Nc2cccc(C(=O)O)c2)cc1OC,0,1,0,0
Cc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1C,0,0,0,0
Cc1ccc(CSc2nnc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)o2)cc1,1,0,0,0
Cc1ccncc1-n1ncc2c(=O)[nH]c(CC3CCCC3)nc21,0,0,0,0
Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccccc1,0,0,0,0
Cc1cc(C)n2nc(SCc3nnc(SCCCCl)o3)nc2n1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
COc1ccc(OCCc2nnc(N)s2)cc1,0,0,0,0
CCOc1ccccc1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12,0,0,0,0
CS(=O)(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,0,0,0,0
CC(OC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1)C(F)(F)F,0,0,0,0
Cc1ccc(Cn2c(=O)n(CCC(=O)NCc3ccc4c(c3)OCO4)c(=O)c3ccccc32)cc1,1,0,0,0
COC(=O)Cc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CC(C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
CCCSc1nc(=O)c(C(c2ccc(OC)c(O)c2)c2c(O)n(C)c(SCCC)nc2=O)c(O)n1C,1,0,0,0
CCC(C)c1ccccc1OCC1=NCCN1,0,0,0,0
CCCCNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1,0,0,0,0
CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34/C=N/NC(=O)c3ccccc3O)C1(O)CCC2C1=CC(=O)OC1,0,1,0,0
Cc1nc(SCc2ccc([N+](=O)[O-])cc2)nc2ccccc12,0,0,0,0
CC(C)Oc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1,0,1,0,0
CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
COCCCNC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1,0,0,0,0
O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0,0,0,0
Cc1cc(S(=O)(=O)NCCN(C)C)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
Cc1ccc(C(=O)N2CC[C@H]2c2nc(-c3ccccc3)n[nH]2)c(-n2nccn2)c1,0,0,0,0
COc1ccc(C/C(C)=N/NC(=S)Nc2ccccc2)cc1,0,0,0,0
COCCCOc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC4CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CNc1nc(Nc2cc3c(cc2OC)C(=O)N(CC(C)(C)O)C3)ncc1C(F)(F)F,0,0,0,0
CCC1(CC)C(=O)NC(=O)NC1=Nc1cccc(OC)c1,0,0,0,0
COc1cccc(C=O)c1OCCN1C(=O)c2ccccc2C1=O,0,0,0,0
COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cn(C(=O)N(C)C)c5ccc(Cl)cc45)C3)nc2c1,0,0,0,0
Cc1ccc(CN2CCc3nc(N4CCN(c5ccccc5F)CC4)ncc3C2)s1,0,0,0,0
O=C(Oc1ccc(Cl)cc1)N1CCCCC1,0,1,0,0
C[n+]1ccn(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1Cc1ccccc1,0,0,0,0
COc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1,0,1,0,0
C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(-c5cccnc5)c(NC(C)(C)C)nc34)[nH]c21,0,0,0,0
Cc1ccc(Cl)cc1Nc1nc2ccccc2n2c(C)nnc12,0,0,0,0
Cc1ccc2oc(C(=O)N(CCO)Cc3ccccc3)c(C)c2c1,1,0,0,0
Cc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1C,0,0,0,0
O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccnn2)C1,0,0,0,0
COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4OC)C(=O)[C@]34CCCN24)cc1C,0,0,0,0
CN(C)c1ccc2c(Nc3cccc(Br)c3)ncnc2n1,0,0,0,0
O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl,1,0,0,0
CC1=Nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2ccc(C)cc21,1,0,0,0
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O[C@@H]2CCCCO2)[C@H](C)O1,0,0,0,0
c1ccc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1,0,0,0,0
CC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OC,0,0,1,0
CC(C)(Oc1ccc(N2CCN(c3ccc(C(=N)N)cc3)CC2)cc1)C(=O)O,0,0,0,0
CCNC(=O)N1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1,0,0,0,0
C/C=C/CC1(CC)C(=O)NC(=O)NC1=O,0,0,1,0
CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,0,0,0,0
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1cc(=O)oc3ccccc13)C2=O,0,0,0,0
CCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1,0,0,0,0
CC(C)(C)c1cc[n+](Cc2cccc(C[n+]3ccc(C(C)(C)C)cc3)c2)cc1,0,0,0,0
Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2ccc(C)c(C)c2)n1,0,0,0,0
COc1ccc(OC)c(/C=N\n2cnnc2N/N=C/c2cc(OC)ccc2OC)c1,1,0,0,0
Cc1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)cc1,0,0,0,0
Cc1ncn(CC(=O)NCC(C)(C)N)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
COc1ccc(C(=O)OCC(=O)c2cc(OC)ccc2OC)c(OC)c1,1,0,0,0
CCC(=O)Oc1c(Sc2ccc(Cl)cc2)c(C)nn1-c1ccccc1,0,0,0,0
CC(C)(O)c1ccccc1S(=O)(=O)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
Nc1ccc(NC2C[C@@H](C(=O)O)NC2=O)cc1,0,0,0,0
CC(=O)c1ccc(OCC(O)CN(C)CCOc2ccc(Br)cc2)cc1,0,0,0,0
COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1cccc(Cl)c1,0,0,0,0
Cc1ccc(N2CC(C(=O)Oc3cccc(N4C(=O)CCC4=O)c3)CC2=O)cc1,0,0,0,0
CC[C@@]12CCC(=O)C(C3CC3)=C1c1ccc3[nH]ncc3c1C2,0,0,0,0
CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1,0,0,0,0
Cc1ccc2ncnc(Oc3ncccc3[N+](=O)[O-])c2c1,0,0,0,0
CC(=O)NCc1ccc(-c2csc(N)n2)s1,0,0,0,0
CCOc1ccc(OCC)c(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)c1,1,0,0,0
COC(=O)CC1SC(=O)N=C1Nc1ccc(OC)cc1,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3OC(OC(C)C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
Cc1c(N=C2SCC(=O)N2/N=C\c2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1ccc(NS(=O)(=O)c2cccc3nonc23)c(OC)c1,0,0,0,0
O=C1OC2(CCCCC2)CC2=C1C1OC(c3ccsc3)(Cc3c1ccc1ccccc31)O2,0,0,0,0
O=c1c(Cl)c(NCCO)ncn1-c1ccccc1,0,0,0,0
COc1ccc(CN(C)[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,0,0,0,0
CN(C)c1ncc2ncc(=O)n(C3CC3)c2n1,0,0,0,0
CCOC(=O)CNC(=O)c1sc(NC(=O)c2cccc(F)c2)nc1C,0,1,0,0
CC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1C,0,0,0,0
CCN(CC)CCCOC(=O)Nc1cccc(CN2N=C(c3ccc(OC)c(OC)c3)CSC2=O)c1,0,0,0,1
Cc1cccc(N2CCc3c2nc2ccc(Br)cc2c3N)c1.Cl,0,1,0,0
CCC[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NCCOc2ccccc2CCCNC1=O,0,0,0,0
Cc1ccc(/C=c2\sc3nc(-c4cccnc4)nn3c2=O)cc1,0,1,0,0
COc1cccc(CNC(=O)CCCN2C(=O)CSc3c2c(C)nn3-c2ccccc2)c1OC,1,0,0,0
CCCCCC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1,1,0,0,0
N#Cc1ccc2nc(N3CCN(Cc4cc(Cl)ccc4Cl)CC3)c(Nc3cccnc3)nc2c1,0,0,0,0
Cc1cccc(NC(=O)CN2CCN(C(=O)C3CCN(C(=O)C=Cc4ccccc4)CC3)CC2)c1C,1,0,0,0
COC1=C(CCNC(C)=O)c2nc3ccccc3c3ccnc(c23)C1=O,0,0,0,0
O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1C1CCCCCC1,0,0,0,0
CC1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)CC1,1,0,0,0
Cc1cc(C)cc(-n2c(C)cc(/C=C3\C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1,1,0,0,0
O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1CCCO1,0,1,0,0
COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(F)cc34)c(F)n2)cn1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C1C(c2ccc(O)cc2)=C(Br)c2ccc(O)cc21,0,0,0,0
COC(=O)CC(=O)NCCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
Cc1ccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)cc1,0,0,0,0
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CC(=O)O)c2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
COc1ccc(-c2ccc3c(N4CCOC[C@@H]4C)nc(N4CCOC[C@@H]4C)nc3n2)cc1CNC1CCCCCCC1,0,0,0,0
Cc1ccn2c(CNC(C)c3cn(C)nc3C)c(C(=O)N3CCCCCC3)nc2c1,0,0,0,0
O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4cccc(Cl)c4)CC3)cn2)cc1,0,0,0,0
O=C(OCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,0,0,0,0
CC(C)CCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1cc2c(cc1F)CNCC2,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2O)CC1,0,0,0,0
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2cc(Cl)ccc2c1=O,0,0,0,0
O=C(CCS(=O)(=O)c1ccccc1)NC1CCCCC1,0,1,0,0
O=C1NCCC12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(CCN4CCCC4)c3)cc1)CC2,0,0,0,0
Cc1cccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2)c1C,1,0,0,0
CNC(=O)c1c(N)n(CCOC)c2nc(C#CC(C)(O)COC)ccc2c1=O,0,0,0,0
O=C1C(Cc2ccc(O)cc2)N2C(=O)CCN(C(=O)NCc3ccccc3)C2CN1Cc1cccc2ccccc12,0,0,0,0
O=C(O)c1cnn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc12,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C4CC4)ncc3Cl)C2)cc1,0,0,0,0
O=C1OC2(CCN(c3nc4ccc(C(F)(F)F)cc4[nH]3)CC2)CN1c1ccccc1,0,0,0,0
Cc1ccc2nc(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)c(C#N)cc2c1,1,0,0,0
Cc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1,0,0,1,0
CCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1)[C@@H](O)CP(=O)(O)O,0,0,0,0
CN1CCCN(CCn2ccc3ccc(OCc4ccccc4)cc32)CC1,0,0,0,0
CC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0,0,0
C=CCOc1c(OC)cc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,0,0,0,0
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)oc2cc1C,1,1,0,0
COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1,0,1,0,0
CC1=C(C(N)=O)C(c2cccc(F)c2)N2N=C(SCc3ccccc3)NC2=N1,1,0,0,0
Cc1cc(Nc2nc([S+](C)[O-])cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
CC[C@@]12C[C@](C)(O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12,0,0,0,0
O=C(OCCN1C(=O)c2ccccc2C1=O)c1cccs1,0,0,0,0
Cc1cnc2[nH]cc(Cc3ccc(NCc4cnccc4C(F)(F)F)nc3F)c2c1,0,0,0,0
COC(=O)CCc1ccc(Oc2cc3cc(-c4cnccn4)[nH]c3cc2C2CCC(=O)N2C)cc1,0,0,0,0
Cc1ccc(-[n+]2c(-c3ccc(Br)cc3)cn3c2CCc2ccc4cccnc4c2-3)cc1,1,0,0,0
CC1CCc2sc(C(=O)NN)cc2C1,0,0,0,0
COc1ccccc1-n1c(O)c(C=NCc2ccccn2)c2ccccc2c1=O,0,0,0,0
O=C(Nc1ccccc1C(F)(F)F)N1CCOc2ccc(Cl)cc21,1,0,0,0
Cc1ccncc1-c1ccc2cc(Nc3cccc(CO)n3)ncc2c1,0,0,0,0
O=C(Nc1nsc(-c2ccccc2)n1)c1ccc(F)cc1,0,1,0,0
N=C(N)NCCC[C@H](NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C1CCCCC1)C(=O)CF,0,0,1,0
C#Cc1cnc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)cc1NC,0,0,0,0
COc1cccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1,0,0,0,0
CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCN(C)CC4)ccc3n2)c1,0,0,0,0
COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)C1c1ccco1,0,0,0,0
COc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(Nc1ccccc1)c1cccc(S(=O)(=O)NCCC23CC4CC(CC(C4)C2)C3)c1,1,0,0,0
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1cccnc1,0,1,0,0
CCCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)nc2s1,0,0,0,0
O=c1cc(N2CCOCC2)nc2c(CSc3ccccc3)cccn12,0,0,0,0
c1ccc(NNc2ccccc2)cc1,0,0,0,0
O=c1cc(-c2cccc(F)c2)[nH]c2cc(F)ccc12,0,0,0,0
O=C(c1ccc2ccccc2c1)N(C1CCCC1)[C@@H]1CCNC1,0,0,0,0
COc1ccc(N2C(=O)C(=Cc3ccco3)N=C2SCC(=O)NC(C)(C)C)cc1Cl,0,0,0,0
CCCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,0,0,0,0
NC(=O)c1cccc2c(N[C@H]3CCCc4ccccc43)ncnc12,0,0,0,0
O=C(O)c1ccoc1CN1CCCCC1,0,0,0,0
CC(C)NC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1,0,0,0,0
O=C1NC(c2cccc(Br)c2)=N/C1=C\c1ccco1,0,1,0,0
Cn1c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)nc2cc([N+](=O)[O-])ccc21,0,0,0,0
CC(C)S(=O)(=O)c1ccc(N2CCOCC2)cc1N,0,0,1,0
Cc1cnc(-c2cc(N3CCC(O)CC3)ncc2Cl)c(C)c1,0,0,0,0
COCCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
C=CCn1c(SCC(=O)NCC)nc2sc3c(c2c1=O)CCC3,0,0,0,0
CCN(CC)CC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
N#C[C@@H]1CC(NCCO)CCC1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1,0,0,0,0
CC(C)c1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1,0,0,0,0
Nc1ncnc2c1c(-c1ccn3ccnc3c1)nn2C1CCCC1,0,0,0,0
CN1C(C(=O)Nc2ccccn2)=C(O)c2sc(Cl)cc2S1(=O)=O,0,0,0,0
COc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1,0,0,0,0
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(C4CCCCC4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
O=C1CCCCN1CC(=O)N1CCCC(Nc2ccc(F)cc2)C1,0,0,0,0
CCCn1c(=O)c2[nH]c(C34CC5CC(CC(C5)C3)C4)nc2n(CCC)c1=O,0,0,0,0
CCOC(=O)CSc1nc2cccnc2n1C,0,0,0,0
CC1(C)c2[nH]c3ccccc3c2CC2C(=O)N(CCCO)CC(=O)N21,0,0,0,0
O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0,0,0,0
O=C(CCCCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,1,0,0,0
COC(=O)[C@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1,0,0,0,0
COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1,0,0,0,0
Cn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21,0,0,0,0
COc1ccc(-c2ccc3nc(NCCN4CCOCC4)c(=O)n(CC4CCCCC4)c3n2)cn1,0,0,0,0
O=C1OC(/C=N/N/C(C[N+](=O)[O-])=N/c2ccc(Cl)cc2)c2ccccc21,1,0,0,0
Cc1nc2cccc(-c3cc4c(=O)[nH]cnc4[nH]3)c2nc1NC1CCC1,0,0,0,0
CCN1CCC(CCOc2ccc(-c3nc(C#N)nc4c3ccn4CC3CCCO3)cc2C(F)(F)F)CC1,0,0,0,0
O=C(COc1ccccc1Br)NC(=O)NC1CCCC1,0,1,0,0
Cc1cc2nc3c(nc2cc1C)CCCC3,0,0,0,0
COC(=O)CNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C,0,0,0,0
O=C(C=Cc1cn(CC(O)CN2CCCCCC2)c2ccccc12)c1ccccc1,1,0,0,0
CCCCOCCCNC(=O)c1c(-c2ccccc2)noc1C,0,0,0,0
Cn1c(O)c(/C=N/N2CCCCC2)c(=O)[nH]c1=O,0,0,0,0
Br.FC(F)(F)c1ccc(N2CCOCC2)c(NC2=NCCCCC2)c1,0,0,0,0
CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCC(=O)O)CCO4)no2)cc1Cl,0,0,0,0
Cc1cccc(C(=O)n2c(=S)nc3ccccn32)c1,0,1,0,0
CN(O)C(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)NC(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,0,0,0,0
COc1nc2cc(Cl)ccc2nc1N1CCN(C)CC1,0,0,0,0
COc1ccccc1/C=C1\N=C(C(C)(C)C)OC1=O,0,1,0,0
CC1CNCc2c1oc1c(Cl)cc(S(=O)(=O)c3ccccc3)cc21,0,0,0,0
O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ncccc1O,1,0,0,0
CCOC(=O)N1CCC(NS(=O)(=O)c2cc(C(=O)OC)n(C)c2)CC1,0,0,0,0
Cc1noc(NS(=O)(=O)c2cc(O)ccc2-c2ccc(CC(C)C)cc2)c1C,0,0,0,0
COc1ccc(C=Cc2ccc(=O)[nH]n2)cc1,0,0,0,0
O=S(=O)(Nc1nc2ccccc2nc1N1CCc2ccccc2C1)c1ccc(Br)cc1,1,1,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(S(=O)(=O)NCc3ccccn3)c2)c1,0,0,0,0
COc1cc(OC)cc(N2C(=O)CSCC2=O)c1,0,0,0,0
c1nc2nc3c(c(N4CCNCC4)n2n1)CCCC3,0,0,0,0
OCCC1CN(Cc2ccccc2O)CCN1CCc1ccccc1,0,0,0,0
N[C@H](COc1cncc(-c2ccc3c(c2)C(Cc2ccco2)C(=O)N3)c1)Cc1ccccc1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(OC)cc2)nc2ccc(Cl)cc12,0,0,1,0
COc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1,0,0,0,0
O=C(c1ccccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1)N1CCOCC1,0,0,0,0
COc1cc(C(c2ccc(O)c(OC)c2)n2cncn2)ccc1O,0,0,0,0
COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5)CC4)cc2)CC3)cc1,0,0,0,0
Cc1cc(C(=O)N2CCC(N3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)CC2)c(C)o1,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(O)c1cccc(CO)c1-2,0,0,0,0
COCCNc1cc(-c2n[nH]c3ccc(-c4cnn(C)c4)cc23)ncn1,0,0,0,0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccc(C4(C#N)CC4)cc3)nnc2c1,0,0,0,0
COc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1,1,0,0,0
CCCN(CCC)c1ncnc2nc[nH]c12,0,0,0,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)c(Cl)[nH]1,0,0,0,0
C=COc1cncc(N2CCNCC2)c1,0,0,0,0
CCOc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3)C2)nc(C)c1F,0,0,0,0
CC(C)N1CCC(Cc2ccccc2)(c2cccc(OCCNS(=O)(=O)c3cn(C)cn3)c2)C1,0,0,0,0
O=c1[nH]ncn1-c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1,0,0,0,0
CC(O)(c1ccc(-c2ccc(S(=O)(=O)c3ccc(N)nc3)nc2NC2CC2)nc1)C(F)(F)F,0,0,0,0
CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3F)cc(N3CCOCC3)nn12,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2C(=O)N(c3ccc(Cl)cc3)C2C(=O)O)c1,0,0,0,0
CC(C)(C)c1ccc(N2C(=O)CC(c3ccccc3)C2=O)cc1,0,0,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(C)ccc4F)ccc3C)c(NC)n2)ccc1C,0,0,1,0
CC(=O)NCCC1(O)C(=O)Nc2ccc(NC(C)=O)cc21,0,0,0,0
NC1(C(=O)O)CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1,0,0,0,0
COc1cc(C#N)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4cccnc4)c3c2C)cc1,0,0,0,0
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)ccc12,0,0,0,0
O=C(Oc1cccc(-n2cnnn2)c1)C1CCCCC1,0,0,0,0
COP(=O)(OC)C1(O)C(=O)Nc2ccc(Br)cc21,0,0,0,0
Cc1ccnc(NC(=O)C2CC(=O)N(Cc3ccccc3)C2)c1,0,1,0,0
COc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1,0,0,0,0
CC12CC(NC(=O)N1CCc1ccccc1)c1ccccc1O2,0,0,0,0
CN(C)c1oc(-c2ccc(Cl)cc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
CSc1nnc(NCc2ccccc2)[nH]1,0,0,0,0
CC(=O)Nc1nc(-c2ccc(Br)s2)cs1,1,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2cc(F)c(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
O=c1c2ccccc2n(Cc2ccccc2F)c(=O)n1-c1cccc(F)c1,0,0,0,0
O=C1c2c(O)cc(O)cc2O[C@@]12c1c(cc(O)c3c1O[C@H](c1ccc(O)cc1)[C@@H](O)C3)O[C@@H]2c1ccc(O)cc1,0,0,0,0
C[C@](O)(c1ccc(C(=O)N(C2CCC(CC(N)=O)CC2)C2CC2)cc1)C(F)(F)F,0,0,0,0
COCCn1cnc2ccc(-c3cnc(COC4CC4)c(NS(=O)(=O)c4ccc(F)cc4F)c3)cc2c1=O,0,0,0,0
Brc1cccc(Nc2ncnc3cc4[nH]cc(CN5CCOCC5)c4cc23)c1,0,0,0,0
O=C(CN1CCCC1c1cccs1)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1,1,0,0,0
NCCCC(CC(=O)NC1CCCCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)CC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1N,1,0,0,0
Nc1ccc(S(=O)(=O)C2CCc3ccccc32)cc1,0,0,0,0
CCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
c1cn2c(NC3CCCC3)c(-c3ccc(N4CCOCC4)cc3)nc2cn1,0,1,0,0
Cc1cc2cc(-c3ccc(N4C[C@@H]5C[C@H]4CN5C)nn3)ccc2[nH]1,0,0,0,0
CCN(CC)C(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
CCONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O,0,0,0,0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(C2CO2)cc1,0,0,0,0
CCOC(=O)c1cnc2ccc(F)cc2c1Nc1ccc2c(c1)OCCO2,0,0,0,0
CCOc1ccc(-c2c[nH]c(=O)c3cc(-c4ccncc4)sc23)cn1,0,0,0,0
O=c1ccccn1Cc1c(Cl)cccc1Cl,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(ccn6C)c5)c4)CC3)CC2)CC1,0,0,0,0
O=S(=O)(c1ccc(F)cc1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
Cn1ncnc1COc1nn2c(-c3cc(F)ccc3F)nnc2cc1C(C)(C)C,0,0,0,1
CCC(=O)Nc1cc(-c2cccc(C)c2)nn1-c1ccccc1,0,0,0,0
CCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(=O)CCC)cc3)cn2)cc1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1N,0,0,0,0
O=C(c1ccc(C#Cc2ccccc2)cc1)N1CCC(O)CC1,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(SC(F)(F)F)cc1,0,0,0,0
COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1c(C)noc1C,1,0,0,0
COc1ccc(Oc2c(C)oc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1,0,0,0,0
O=C1c2cccc3cccc(c23)C(=O)N1CCN1CCC(Cc2c[nH]c3ccc(F)cc23)CC1,0,0,0,0
O=C(OC1C2CC3CC(C2)CC1C3)N1CCC(CO)(c2ccccc2)CC1,0,0,0,0
O=c1c2cn[nH]c2c2ccc(-c3cccnc3NC3CCCC3)cc2n1CC(F)(F)F,0,0,0,0
CCOC(=O)C(NC(=O)c1ccccc1OCC)(Nc1ncccn1)C(F)(F)F,1,0,0,0
CCN1C(=O)NC(=O)C(=CNCCc2c[nH]c3ccccc23)C1=O,0,0,0,0
Cn1cc(-c2ccc(-c3cncc4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1,0,0,0,0
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2c(Cl)cccc2N2CCOCC2)CC1,0,0,1,0
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(C)cc3)ccc21,0,0,0,0
[C-]#[N+]c1ccc(NCC2CCCN2C[C@H](O)c2ccc3c(c2C)COC3=O)nc1,0,0,0,0
CCn1c(NN)nc2sc3c(c2c1=O)CCC3,0,0,0,0
Cc1nc2c3ccccc3nc(SCc3nc4ccccc4o3)n2n1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)C1c1ccc(F)cc1,0,0,0,0
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(C)CC1)c1ccccc1S2,1,0,0,0
O=c1[nH]c2ccccc2n1C1CCN(Cc2csc3ccccc23)CC1,0,0,0,0
COc1ccc(Cl)cc1NC(=O)Nc1ccc(Br)cn1,1,0,0,0
CCOC(=O)C1(Cc2ccccc2C(F)(F)F)CCN(Cc2ccon2)CC1,1,0,0,0
COc1ccc2[nH]c(-c3cc(C)c(O)c(C)c3)c(C)c2c1,0,0,0,0
COc1cccc(CN2CCNC(=O)C2CC(=O)NCC2CCOCC2)c1,1,0,0,0
COc1cc(-c2ccco2)ccc1S(=O)(=O)Nc1cccc(N2C[C@@H](C)N[C@@H](C)C2)c1,0,0,0,0
O[C@@H](CNCCOc1ccc(-c2csc(C3CCCC3)n2)cc1)c1cccnc1,0,0,0,0
COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1ccc(Br)o1,1,0,0,1
CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(CSc3nnnn3C)[C@@H](Sc3nnnn3C)S(=O)(=O)C12,0,0,0,0
CN1CCC(Cc2ccccc2)(c2cccc(OCCNS(=O)(=O)c3cn(C)cn3)c2)C1,0,0,0,0
CCC1CCCCN1c1ccc([N+](=O)[O-])cc1/C=N/NC(=O)Cn1c2ccccc2c(=O)c2ccccc21,1,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H](C)O[C@H]2Cn2cc(-c3ccc(F)cn3)cn2)c1,0,0,0,0
CCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,0,0,0,0
CCC(C)Nc1nc(-c2ccccn2)nc2ccccc12,0,0,0,0
COc1ccc2nc(NC(N)=NC(=O)C(C)(C)C)nc(C)c2c1,1,0,0,0
O=C(Oc1ccc2c(c1)CCC2)N(Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CC1CN(C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC(C)O1,0,0,0,0
NC(=O)c1c(Nc2ccc(I)cc2F)cc(F)cc1OC[C@@H]1CCCN1S(N)(=O)=O,0,0,0,0
O=C(CSc1ncnc2ccccc12)NCCCO,0,0,0,0
COc1ccccc1C(CC(=O)O)c1ccc2c(c1)OCO2,0,0,0,0
O=C(CN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NCCCN1CCOCC1,0,1,0,0
N#C[C@@H]1CCN(C(=O)OCC(F)(F)CO)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)Nc1nc3c(c(N)c1[C@H]2c1ccccc1)CCCC3,0,0,0,0
Cc1cccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1O,1,0,0,0
N=C(N)c1ccc(N2CCN(c3ccc(CC(=O)O)cc3)CC2)cc1,0,0,0,0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCC(=O)O)n1,0,0,0,0
COc1ccc(Cn2c(=O)c3cccnc3n(Cc3cccc(F)c3)c2=O)cc1,0,0,0,0
O=C1/C(=C(\O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21,0,0,0,0
O=C1c2ccccc2C(=O)C12C(c1cccc(O)c1)=Cc1cc(O)ccc12,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
O=C(O)CCCC(=O)Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1cccc2sc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)nc12,1,0,0,0
CC12c3ccccc3C(c3ccccc31)C1C(=O)N(c3ccncc3)C(=O)C12,1,0,0,0
Oc1c[n+](-c2ccc(-[n+]3cc(O)on3)cc2)no1,0,0,0,1
COc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,0,0,0,0
Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N(C)c3ccccc3)ccc12,0,0,0,0
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)on1,0,0,0,0
CCCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,1,0,0,0
CCOc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1,0,0,0,0
O=C(O)COc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
Cc1cc(-n2cc(C(N)=O)nc2C)cc(OCc2cccc(Cl)c2)n1,0,0,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
NC(=O)c1cc(-c2ccc3scnc3c2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12,0,0,0,0
CCc1ccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1,0,0,0,0
CCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(c2cn[nH]n2)C(=O)N1,0,0,0,0
O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(F)cc1,0,0,0,0
C=CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1,0,0,1,0
CCCCCCNC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
COc1ccc(CNC2=NC(=O)CC(C(=O)Nc3ccc(F)cc3)S2)cc1,0,0,0,0
CCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(C#N)n3)cc2)[nH]1,0,0,0,0
C/C(=N\NC(=O)c1cc(Br)ccc1O)c1ccccn1,0,1,0,0
COc1ccc(CCN2C(=O)C(Oc3ccccc3C)C2c2ccc3c(c2)OCO3)cc1,0,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(N)=O)cc1,0,0,0,0
C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(OC)cc(OC)c3)ccc12,0,0,1,0
Nc1noc2ccc(-n3nc(C(F)(F)F)c4[nH]c(=O)n(-c5ccc(-c6ccccc6CN6CC[C@@H](O)C6)cc5)c(=O)c43)cc12,0,0,0,0
Clc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1,0,0,0,0
CC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(Cl)cc3)cc12,0,0,0,0
O=C1CC(N2CCc3ccccc32)C(=O)N1c1ccccc1,0,0,0,0
CN(C)CCSc1nnc2[nH]c3ccccc3c2n1,0,0,0,0
C[C@@H]1CCCN1CCc1ccc2nc(-c3cc(Br)no3)ccc2c1,0,0,0,0
CCN(CC)C(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3Cl)ccc21,0,0,0,0
N#CCC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
O=C(O)C(=O)O.c1ccc(COc2ccc(OCCCN3CCCCC3)cc2)cc1,0,1,0,0
COC(=O)c1cc(Br)c(=O)n(-c2ccc(C(C)=O)cc2)c1,0,0,0,0
CCOC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(OC)cc1,0,0,0,0
COc1cc(N2CCOCC2)ccc1C=C1C(=O)NC(=O)N(Cc2cccs2)C1=O,0,0,0,0
Cc1ncc(CO)c(/C=N/NC(=S)Nc2cccc(Cl)c2)c1O,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
O=C(c1cc(C(=O)N2CCCC2)cc([N+](=O)[O-])c1)N1CCCC1,0,0,0,0
CCCc1cc(=O)n2nc(NCc3ccc(Cl)cc3Cl)nc2[nH]1,0,0,0,0
COc1ccc(CCn2ccc(O)c(Cc3c(F)cccc3Cl)c2=O)cc1OC,0,0,0,0
COc1ccccc1OCCCCn1c(C(C)O)nc2ccccc21,1,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccccc5)ccc4c3=O)cn2)C1,0,0,0,0
Cc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,0,0,0,0
O=C1Cc2ccccc2N1CCCCCCN1CCc2ccccc2C1,0,0,0,0
OC(CN1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1,0,0,0,0
Cc1ccc(Nc2nc(CSc3nnc(-c4ccc(F)cc4)n3C)cs2)cc1,1,1,0,0
COC(=O)c1ccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2C)cc1,0,0,0,0
COc1ccc(F)c(CN2CCN(C(C)=O)CC2)c1,0,0,0,0
Cc1c(OCC(=O)NCC2CCC(C(=O)NCCCO)CC2)ccc2c(-c3ccccc3)cc(=O)oc12,1,0,0,0
c1ccc2c(c1)CNc1ccccc1O2,0,0,0,0
Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1C[C@H]2CN(CCC3(c4ccccc4)CN(C(=O)C4CCOC4)C3)C[C@H]2C1,0,0,0,0
O=c1c2[nH]c3ccc(F)cc3c2ncn1CC1CCCO1,0,0,0,0
N#Cc1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1,0,0,0,0
O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)cc1,0,0,0,1
Cn1nc(S(=O)(=O)c2ccccc2)c2cc(N3CCNCC3)ccc21,0,0,0,0
CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],0,0,0,1
N[C@@H](CC(=O)N1CCNC(=O)[C@H]1CO)Cc1cc(F)c(F)cc1F,0,0,0,0
O=S(=O)(Nc1ccc2nc(C(F)(F)F)[nH]c2c1)c1ccccc1,0,0,0,0
c1ncn(CCOCCOc2ccc3c(c2)CCC3)n1,0,0,0,0
Cc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,0,0,0,0
COc1cccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccc4OC)CC3)cc2)c1,1,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cc(Br)cc12,0,0,1,0
COc1nccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc12,0,0,0,0
CCCS(=O)(=O)NCCOc1ccc2c(c1)C(C1(c3ccc(F)cc3)CCC1)N(c1ncc[nH]1)CC2,0,0,0,0
Cc1cc(C)n(CCc2nc3c4ccccc4nc(N4CCN(c5ccccc5F)CC4)n3n2)n1,0,0,0,0
CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2OC)CC1,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCP(=O)(O)O[C@@H](CCC(=O)O)C(=O)O)C(=O)O)cc1,0,0,0,0
C/C(=N\Nc1ncc(Cl)cc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1,1,1,0,0
Cc1ccc(SCc2ccc(C(=O)N3CCCC3)cc2)cc1,0,1,0,0
C[C@H](Cc1cc(O)c(O)cc1[N+](=O)[O-])[C@@H](C)Cc1cc(O)c(O)cc1[N+](=O)[O-],0,0,0,0
O=C(COc1ccccc1)N1CCc2ccccc21,0,1,0,0
Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
Cc1ccc(C(=O)NCC(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1,1,0,0,0
Oc1cccc(/C=N/Nc2cccc3cccnc23)c1,0,1,0,0
c1ccc2c(c1)NC(=NCCCCCN1CCN(c3ccc4ccccc4n3)CC1)CO2,0,0,0,0
O=c1cc(CSc2nnnn2-c2ccccc2)nc2nc[nH]n12,0,0,0,0
COCc1cc(CN2CCN(CCc3ccccc3)C(CCO)C2)ccc1OC,0,0,0,0
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-n3cnc(-c4ccco4)c3)c12,0,0,0,0
CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4ccccc4n3)CC2)cc1F,0,0,0,0
Clc1ccc2nc(-c3ccccc3)nc(C(Cl)Cl)c2c1,0,0,0,0
O=C1CC(c2ccccc2)Cc2c1c1c(n2Cc2ccccc2)-c2ccccc2C1=O,0,0,0,0
Cc1occc1-c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1C,0,0,0,0
Cc1ncc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1,0,0,0,0
CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3ccc(C)s3)CC2)cc1,0,0,0,0
CCCCN(C)C(=O)CCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
CS(=O)(=O)c1ccc(C(CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)cn1,0,0,0,0
COc1cc2nc(CC(C)C)n(NC(=O)c3ccccc3Br)c(=O)c2cc1OC,1,0,0,0
COc1cc(-c2cn(C)c(=O)c3ccccc23)c(OC)cc1CN(C)C,0,0,0,0
Cc1ccc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)cc1C,0,0,0,0
O=C(Nc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1,0,1,0,0
CC(C)(CCN1C(=O)CC2(CCCC2)CC1=O)CN1CCN(c2ncccn2)CC1,0,0,0,0
CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCC(=O)O)c(Cl)c1Cl,0,0,0,0
COC(=O)C1(C)NC(c2cccc(C)c2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0,0,0
C[C@H](Nc1ccc2ncn(-c3cc(C4CC4)[nH]n3)c2n1)c1ncc(F)cn1,0,0,0,0
CCc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1,0,0,0,0
NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1,0,0,0,0
O=C(c1ccco1)N(Cc1ccc(Cl)cc1)Cc1ccco1,0,0,0,0
CCOP(=O)(OCC)C(Nc1ccccc1)c1ccccc1C(F)(F)F,1,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CCC2,0,0,0,0
COCCOc1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1,0,0,0,1
O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,1,0,0,0
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3cnc4[nH]ccc4c3)c12,0,0,0,0
CC1=C([N+](=O)[O-])C(c2ccc(Cl)cc2)NC(=O)N1C,0,0,0,0
O=C(c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCCCC1,0,0,0,0
CCOC(=O)C=CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
Cn1sc(NC(=O)c2ccccc2)nc1=O,0,1,0,0
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2,0,0,0,0
NS(=O)(=O)OC[C@H]1C[C@@H](Nc2cc(Nc3cccc4c3CCCC4)ncn2)[C@H](O)[C@@H]1O,0,0,0,0
O=C(OC1CCC(c2ccc(-c3nc4nc(O[C@H]5COC6C5OC[C@@H]6O)[nH]c4cc3Cl)cc2)CC1)N1CCOCC1,0,0,0,0
CC1CCCCN1C(=O)Cn1cc(/C=C2/C(=O)Nc3ccccc32)c2ccccc21,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC)CC3)c(C(F)(F)F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
S=C(SSC(=S)N1CCC1)N1CCC1,0,0,1,0
COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(Cl)cc1,0,0,0,0
C[C@@H]1CCCN1C(=O)c1nn(C)c2nc(OCc3ccccn3)ccc12,0,0,0,0
CCOCCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
c1ccc(Nc2ncncc2-c2ccoc2)cc1,1,0,0,0
CC(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
O=C(Oc1ccccc1O)c1cccc2ccccc12,0,0,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(C)CC4)cnc3OCCOC)[nH]c(=O)c2nn1CC(C)C,0,0,0,0
CC(=O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
Cn1c(CO)cnc1SCc1ccc([N+](=O)[O-])cc1,0,0,0,0
CC(C)COc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0,0,0
CN1CCN(c2ccc(N=Cc3c(O)[nH]c(=O)c4ccc(-c5ccoc5)cc34)nn2)CC1,0,0,0,0
CCOc1ccccc1N(CC(=O)N1CCC(C(N)=O)CC1)S(=O)(=O)c1ccc(SC)cc1,1,0,0,0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(C)cc4)n3)c2)CCOCC1,0,0,0,0
Nc1ncnc2c1c(I)nn2Cc1cc2cccc(Cl)c2c(=O)n1C1CC1,0,0,0,0
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3cc(Cl)ccc3n2)cc1,0,0,1,0
COc1ccccc1CN(C(=O)c1cnccn1)C(C(=O)NC1CCCCC1)c1cc(OC)c(OC)c(OC)c1,1,0,0,0
CCN1CCC(COc2ccc(-c3nc(C#N)nc4c3ccn4CC3CCOC3)cc2C(F)(F)F)CC1,0,0,0,0
N=C(N)c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,0,0,0,0
CNC(=O)c1ccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)nc1,0,0,0,0
Cn1c(SCC(=O)N/N=C/C=C\c2ccccc2[N+](=O)[O-])nc2ccccc21,1,0,0,0
C=CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccccc2)c1,0,0,0,0
CNc1nc(C)c(C(C)(C)C)s1,0,0,0,0
Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccccc2)c2ccccc2n1CC(=O)O,0,0,0,0
CC(C)[C@H](CO)NCc1nc(N2CCC(C(F)(F)F)CC2)ccc1F,0,0,0,0
O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccc(Cl)cc23)CC1,0,0,0,0
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1CCCCO,1,0,0,1
O=C(Oc1ccc(OC(=O)N2CCCCC2)cc1)c1ccccc1,0,0,0,0
CNS(=O)(=O)c1ccc(N)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
CC1CCCCN1C(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1OC,0,0,0,0
COc1ccc(-c2cc(C(=O)N3CCCC(C(F)(F)F)C3)c3ccccc3n2)cc1,0,1,0,0
N#Cc1nc(-c2ccco2)oc1NCCN1CCOCC1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(OC(=O)Cc5ccc(N(CCCl)CCCl)cc5)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)Cc1ccc(N(CCCl)CCCl)cc1,0,0,0,0
Cc1ccccc1C(=O)NC(NC(=O)c1ccccc1C)c1cccc([N+](=O)[O-])c1,1,0,0,0
C[C@@H]1C[C@H]1c1nc(NC2CC2)cc(N2CCCCCC2)n1,0,0,0,0
COc1cc([C@@H](C)N[C@H](C)c2ccccc2)nn1-c1ccc(C(F)(F)F)cc1,0,0,0,0
NS(=O)(=O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1,0,0,0,0
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc(F)cc1)c1ccccc1)C(=O)[C@@]1(C)CO1,0,0,0,1
C=CCSc1nc2sc3c(c2c(=O)n1CC)CCC3,0,0,0,0
O=C(c1ccco1)n1nc(-c2ccco2)nc1SCc1ccccc1,1,0,0,0
Cc1ccc(OCCCn2c(=O)oc3ccccc32)cc1,0,0,0,0
CN(C)C(=O)c1cc(-c2ccccc2)no1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCC(NCCF)CC1,0,0,0,0
O=Cc1c(F)cccc1N1CCCC1,0,0,0,0
Cc1ccccc1C(O)c1cccnc1,0,0,0,0
CCOC(=O)c1oc2c(c1C)C(=O)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)C2,0,0,0,0
Fc1ccc(CN2CCN(c3nc4cc(Cl)ccc4n4cccc34)CC2)cc1,0,0,0,0
Cc1c(Cl)cc(Br)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1cccc(F)c1,0,1,0,0
C[C@@]12CSC(=N1)c1csc(n1)CNC(=O)C[C@@H](/C=C/CCS)OC(=O)CNC2=O,0,0,0,1
O=C1C=CC(=CC=C2NC(=O)C([N+](=O)[O-])C(=O)N2)C=C1Cl,0,0,0,0
CCS(=O)(=O)c1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)c(Cl)c1,0,0,0,0
CCCCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
C=CCNC(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1,1,0,0,0
COc1cc(Nc2nccc(-c3ccc(N4CCOCC4)nc3)n2)cc(OC)c1OC,0,0,0,0
CCN(CC)CCOc1ccc2c(c1)C(=O)c1c(oc3ccccc13)C2(C)C,0,0,0,0
CNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1,0,0,0,0
COc1cccc(COc2ccc3c(C)cc(=O)oc3c2)c1,0,1,0,0
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(C3CC(F)(F)C3)n2)cc1OC(F)F,0,0,0,0
Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C)nc2n1,0,0,0,0
CCOC(=O)c1cnc(SC2CC(=O)N(c3cccc(OC)c3)C2=O)nc1N,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCC2(CCNCC2)C1,0,0,0,0
CN(C(=O)c1ccccn1)c1nnc(-c2ccccn2)s1,0,1,0,0
Oc1cc(O)nc(SC23CC4CC(CC(C4)C2)C3)n1,1,0,0,0
O=S(=O)(Nc1nccs1)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1,0,0,0,0
COc1cc(-c2nn(CCN3CCC(N4CCCC4)CC3)c3ncnc(N)c23)ccc1NC(=O)OC(C)(C)C,0,0,0,0
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(C(F)(F)F)cc3)oc2C)c2ccccc12)C(=O)O,0,0,0,0
O=C(O)CCC(NC(=O)c1ccc(CNc2ccc3nc[nH]c(=O)c3c2)cc1)C(=O)O,0,0,0,0
CC(C)(C)OC(=O)CN1C(=O)[C@@H](NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)CCC[C@H]1c1ccccc1,0,0,0,0
COc1cccc(CNCc2cccn2-c2nnc(N3CCN(c4ccccc4)CC3)s2)c1,0,0,0,0
CCOC(=O)C1(C)NC(c2ccccc2F)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,1,0,0,0
O=C1Nc2ccccc2C1CCCCN1CCN(c2ccccc2)CC1,0,0,0,0
COc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Fc1ccc(-n2c(Cn3nnc4ccccc43)n[nH]c2=S)cc1,0,0,0,0
Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,0,0,0,0
Cc1nn(Cc2c(F)cccc2Cl)c(=O)c2ccccc12,0,0,0,0
O=C(OCC(=O)N1CCCC1)c1ccccc1OCc1ccccc1,0,1,0,0
COCCN1CCN(C(=O)c2ccc(-c3ncnc(C)c3C#Cc3ccc(N)nc3)cc2)CC1,0,0,0,0
COCCOc1c(C(=O)O)cccc1-c1cc(C)cc(Nc2nccc(C(F)(F)F)n2)c1,0,0,0,0
CN(C)c1ccc(C(CNS(=O)(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1,1,0,0,0
NCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3ccccc3C[C@@H]2N2CCCCC2)cc1,0,0,0,0
Cc1cccc(C)c1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2,0,0,0,0
O=C(O)CC1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1,1,0,0,0
Cc1cccc(CC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)c1,1,0,0,0
CCOC(=O)c1cccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)c1,1,0,0,0
CC1=C2CCc3cc(OCc4ccc(C(F)(F)F)cc4C(F)(F)F)ccc3N2CCC1=O,0,0,0,0
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccc(F)cc3c2C1,1,0,0,0
COc1ccc(C(O)P(=O)(OCC(C)C)c2ccc(N(C)C)cc2)c(OC)c1,1,0,0,0
NC(=O)c1cccnc1COc1cc(-c2ccccc2)cc2ncccc12,0,0,0,0
CC(=O)c1cc(F)c(N2CCOCC2)cc1C,0,0,0,0
COC(=O)C1(C)NC(c2cccc(C)c2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
CCCCCC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
O=C1c2c(O)cc(O)cc2OC12c1c(cc(O)c3c1OC(c1ccc(O)cc1)C(O)C3)OC2c1ccc(O)cc1,0,0,0,0
COc1ccccc1C(=O)N1CCN(Cc2c[nH]nc2-c2ccc(F)cc2F)CC1,0,0,0,0
NC(=O)c1ccc2[nH]c3ncnc(NC4CCCC4)c3c2c1,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)C(F)(F)F)C(=O)N1CCN(c2cccc(-c3ccccc3)n2)CC1,0,0,1,0
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCCC23)cc1OC,0,0,0,0
Cc1nn(C2CNC2)c2c1C(c1ccc(Cl)cc1)N(c1cc(C)c(=O)n(C)c1)C2=O,0,0,0,0
Cc1ccc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1,0,1,0,0
CCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1,0,0,0,0
CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1,0,0,0,0
CSc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1,0,0,0,0
CC1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)c(N)oc12,1,1,0,0
Cc1cccc2c1-c1ccc(C(=O)NC(=N)N)cc1C2O,0,0,0,0
COc1ccc(-c2nc3cnc(Nc4ccccc4)nc3n(CCC#N)c2=O)cc1,0,0,0,0
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)CO)nc21,0,0,0,0
CC(=O)c1ccccc1NS(=O)(=O)c1cccc2nonc12,0,0,0,0
COc1ccc2c(c1OC)CN1CCc3cc(O)c(O)cc3C1C2,0,0,0,0
COc1cc(-c2ccc3ncc(C(=O)C(C)C)c(NC4CCC(N)CC4)c3c2)cc(Cl)c1O,0,0,0,0
NC(=O)COc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cncc(CN5CCCC5)c4)cc3)nc12,0,0,0,0
CN(C)CCCc1ccc2[nH]c(=O)c3c(c2c1)NCCC3,0,0,0,0
O=c1oc2ccccc2cc1-c1cn2cccnc2n1,0,1,0,0
CC(C)[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCc1ccc(C(=N)N)cc1,0,0,0,1
Cc1ccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,0,0,0,0
Cn1c(-c2ccc(-c3ccccc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1,0,0,0,0
O=C(Nc1cccc(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1,0,1,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(C(C)C)cc2)nc2ccccc12,0,0,1,0
CC(C)(O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,0,0,0,0
COCC(=O)N1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6nccc(C)n6)cc5Cl)cc4c32)CC1,0,0,0,0
COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3ncn2c31,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCCOC(C)C)ncc23)ccn1,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2cc(F)cc(F)c2o1,0,0,0,1
Cc1nc2cnc(Oc3ccc4c(c3)ncn4C)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,0,0,0,0
CCNC(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21,0,0,0,0
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCN1C(=O)C=CC1=O,0,0,1,0
COCCn1nnnc1C(CC(C)C)N1CCN(c2cccc(OC)c2)CC1.Cl,0,0,0,0
N#CC(C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2ccccc2[nH]1,0,1,0,0
Cc1oc(-c2nc3ccccc3n2C)cc1C(=O)c1ccccc1,1,1,0,0
CCOc1ccc(C=C2SC(=S)N(CC(=O)NCCCN3CCOCC3)C2=O)cc1,1,0,0,0
CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(O)c1,0,0,0,0
COc1ccc(Cl)cc1/C=C1\CNC(=O)CN(S(=O)(=O)c2cc(F)c(Cl)cc2OC)C1=O,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1ccc(Cl)cc1)O2,0,0,0,0
Nc1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1,0,0,0,0
CCCS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](CC)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
C[C@@]1(c2sc(-c3cncc(F)c3)cc2Cl)CS(=O)(=O)C2(CCOCC2)C(N)=N1,0,0,0,0
O=C(c1csnn1)N1CCC2(CC1)CN(c1ccccc1)C2,0,0,0,0
COc1cccc(OC)c1OC(=O)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1,0,0,0,1
O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,0,0,0,0
C[C@H]1c2c(cc(F)c(-c3cccc4cc[nH]c34)c2F)NC(C)(C)[C@@H]1OC(=O)N1CCCCC1,0,0,0,0
CCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,0,0,0,0
O=C1Nc2ccccc2C1=CC(=O)c1ccccc1,0,0,0,0
COc1ccc(-c2cnn(-c3nc(-c4ccccc4)c(CC(=O)O)s3)c2N)cc1,0,1,0,0
Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccccc2n1,0,0,0,0
CC(C)NC(=O)O[C@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1,0,0,0,0
COc1cc(-c2cnn(C)c2C)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1,0,0,0,0
CCNC(=O)c1[nH]nc(-c2cc(Br)c(O)cc2O)c1-c1ccc(OC)cc1,0,0,0,0
CCCCN1C(=O)NC(=O)C2(Cc3c(nc4c(C)cccn4c3=O)N3CCc4ccccc4C32)C1=O,0,0,0,0
O=C(CCCCl)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0,0,0,0
Cc1cc2cc(F)ccc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1,0,0,0,0
ClCc1csc(N/N=C/c2cccs2)n1,0,1,0,0
CCOc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2O)cc1,0,0,0,0
Cc1cc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]2)c(C)c1,0,1,0,0
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O,0,0,0,0
O=C1CC(C(=O)Nc2ccccc2C(=O)O)C(c2ccccc2)O1,0,0,0,0
CS(=O)(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,1,0,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1CCOC,0,0,0,0
CC12CN3CC(C)(CN(C1)C3c1ccncc1)C2=O,0,0,0,0
O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1CCCN1C(=O)OCc1cnc2ccccc2n1,0,0,1,0
CC1(C)OC(=O)N(c2ccc(-n3c(=O)[nH]c4ccccc43)cc2)[C@H]1c1ccccc1,0,0,0,0
CCCCNC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(OC(F)F)cc3)CC2)c1,0,0,0,0
CN(C)C(=O)c1cccc(-c2ccnc3c2c(/C=C2\Oc4cccc(O)c4C2=O)cn3C)c1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCOCCO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
C#Cc1cccc(Nc2nc3cc(C(=O)O)ccc3c3cnc(NCC4CC4)nc23)c1,0,0,0,0
Cc1ccc(-c2cn(Cc3ccccc3)c3c2C[C@@]2(O)C4Cc5ccc(O)c6c5[C@@]2(CCN4CC2CC2)[C@H]3O6)cc1,0,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2cc(C(F)(F)F)ccn2n1,0,0,0,0
Cc1c(Cc2ccc(C(F)(F)F)cc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
Cc1ccc(-c2cc(NC(=O)CCl)n(-c3ccccc3)n2)cc1,0,0,0,0
O=C(c1ccc(F)cc1)N1CCCC(C(=O)N2CCCCC2)C1,0,0,0,0
O=C1CC[C@]2(O)[C@@H]3Cc4ccc(C(=O)NCCc5ccc(-c6cccnc6)cc5)c(O)c4[C@]2(CCN3CC2CC2)C1,0,0,0,0
O=C(OCc1ccccc1)C(C(=O)c1ccccc1Br)c1ccc(-c2ccccc2)cn1,0,0,0,0
CCCCN(C)CCCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1,0,1,0,0
COC(=O)c1ccccc1CN(C(C)=O)c1ccccc1Oc1ccccc1,0,0,0,0
COC(=O)c1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1,0,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)NS(C)(=O)=O)c2)c(C(F)(F)F)n1,0,0,0,0
Cc1cccnc1CN1CCC2(CC1)CC(=O)N(c1ccc(-c3ccccc3)cc1)C2=O,0,0,0,0
COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccccc5)n(C)c4=O)cc3F)c2cc1OC,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3F)C2)nc(C(F)(F)F)c1F,0,0,0,0
COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(OC)nc21,1,0,0,0
O=C(OCC(=O)N1CCc2ccccc21)c1ccc[n+]([O-])c1,0,0,0,0
O=C1c2ccccc2C(=O)N1CCOc1ccc(F)cc1,0,1,0,0
COC(=O)C1C(=O)C(=CNc2cccc3ccccc23)C(=O)CC1(C)C,1,0,0,0
Cn1cc(-c2cc3c(-c4cccc(N5C[C@@H]6C[C@H]5CN6)n4)n[nH]c3cn2)cn1,0,0,0,0
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(C)c3)OC2=S)cc1,0,0,0,0
CS(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1,1,0,0,0
COc1ccc(C(C#N)c2nc3ccccc3nc2Cl)cc1,0,0,0,0
O=C1c2ccccc2-c2c1cccc2C(=O)N1CCCCC1,0,0,0,0
CCCCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1,0,0,0,0
Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1,1,0,0,0
O=c1nc(SCc2ccccc2F)[nH]c2ccccc12,0,0,0,0
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCCO)cc2)o1,0,0,0,0
CCCCN(C)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
O=C(c1ccco1)N1CCN(C(c2ccccc2)c2nnnn2Cc2cccs2)CC1,1,0,0,0
Cc1[nH]c(SCc2cccc(F)c2)nc(=O)c1C#N,0,0,0,0
CCOc1cc(-c2nc(SCC(=O)NC(C)C)nc3[nH]cc(C#N)c23)c(Cl)cc1OC,0,0,0,0
COc1ccc(Nc2nc(NCc3ccco3)nc(NN=Cc3ccccc3)n2)cc1,1,0,0,0
CC(C)(C)c1nc2cc(S(=O)(=O)c3nccs3)ccc2n1CC1CCN(C=O)CC1,0,0,0,0
Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NCCc2ccccc2)Cc2cccs2)c1,1,0,0,0
c1ccc2c(N3CCNCC3)nsc2c1,0,0,0,0
O=S(=O)(NNS(=O)(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,0,0,0,0
COc1ccc(CCN(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1OC,1,0,0,0
CC(=O)Oc1c(-c2ccccc2)oc2c(CC=C(C)C)c3c(c(OC(C)=O)c2c1=O)C=CC(C)(C)O3,0,0,0,0
OCCCNc1cc(-c2cncc(Nc3cccc(Cl)c3)n2)ccn1,0,0,0,0
Clc1ccccc1C1NCc2ccccc2-n2cccc21,0,0,0,0
CN(C)CC(C)(C)Cn1c([S+]([O-])Cc2ccccc2)nc2cc(C=CC(=O)NO)ccc21,0,0,0,0
O=C(O)c1ccc(NCc2ccncc2)cc1,0,0,0,0
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CCOCC3)cc2c1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCOCCO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,1,0,0,0
CCCc1cnc2c(C#N)c(N3CCN(c4ccccc4)CC3)ccn12,0,0,0,0
Cc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)c1ccccc1NCCO,1,0,0,0
Fc1cccc(-c2nnnn2Cc2cccnc2)c1C(F)(F)F,0,0,0,0
COc1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1,0,1,0,0
O=C1NC(=S)NC1=Cc1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1,1,0,0,0
CC1NC(=O)NC1CCCCCC(=O)NCCc1ccccc1,1,0,0,0
COc1ccc(Cc2nnc(N/N=C/c3ccccc3O)[nH]c2=O)cc1OC,0,0,0,0
Cc1cc(C(=O)NCCCCO)cc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,1,0,0,0
CN1C(=O)/C(=C/c2ccccc2Cl)Sc2ccc(C(=O)NCc3cccnc3)cc21,0,0,0,0
NNC(=O)CCN1CCN(Cc2ccccc2)CC1,0,0,0,0
Cc1sc2c(c1C)c(=O)n(-c1cccc(C(F)(F)F)c1)c(=O)n2CC(=O)NCc1ccco1,1,0,0,0
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CN(S(=O)(=O)C3CC3)C1)CC2,0,0,0,0
COc1cc(N2CC(C(F)(F)F)C2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
COc1cc(OC)c(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1OC,0,0,0,0
CCCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
Cc1nccc2c1[nH]c1cc(OCc3ccc4ccccc4c3)ccc12,0,0,0,0
O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1Cl,0,0,0,0
CC(C)CC(Nc1ccc2cccc(Cl)c2n1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
CN1Cc2ccc(-c3cnc4[nH]cc(C(=O)c5ccccc5Cl)c4c3)cc2C1,0,0,0,0
CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccccc3)c(=O)c2c1,0,0,0,0
COc1ccc(F)c(CN2CCN(C(=O)C(C)C)CC2)c1,0,0,0,0
Oc1cccc(-c2ccc(-c3cn(CSc4ccccc4)nn3)cc2)c1,0,0,0,0
O=C(NO)[C@H]1CN(Cc2cccc(Oc3ccc(F)cc3)c2)C(=O)N1,0,0,0,0
Cc1nc(N[C@@H]2CCCc3ccccc32)cc(-c2ccc3c(ccn3C)c2)n1,0,0,0,0
Cc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1C,1,1,0,0
CC1CCCN1c1cccc(Nc2cc(-c3ccc4c(c3)OCO4)nn3ccnc23)n1,0,0,0,0
CC(C)CC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1,0,0,0,0
c1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1,0,1,0,0
O=C(NC1CCCN(Cc2ccc(Cl)cc2)C1)c1cnc2ccccn2c1=O,1,0,0,0
[C-]#[N+]c1cc(-c2cnc(OCC(C)(C)C(=O)O)cc2C)ccc1-c1ncc(C(F)(F)F)[nH]1,0,0,0,0
Nc1nc(-c2ccc(Br)s2)c(Br)s1,0,0,0,0
Cc1cc(C)cc(N2CN=C3SCC(=O)N3C2)c1,0,0,0,0
COc1cc(CCCN2C(=S)NCC2Cc2ccc(O)cc2)cc(OC)c1OC,0,0,0,0
COCCNC(=O)CSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
CN1CCC(c2ccc(Nc3cc(-c4cc(F)cc(N5CCc6c(sc7c6CCCC7)C5=O)c4CO)cn(C)c3=O)nc2)C1,0,0,0,0
COc1cc(OCc2cccc(OCc3csc(C)n3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
COc1cc(Nc2ncc3c(C)nc(-c4ccc(F)cc4)n3n2)cc(OC)c1OC,0,0,0,0
CCCOc1ccc2nc(-c3cn4nc(CC)sc4n3)oc2c1,0,0,0,0
S=C(NCc1ccco1)N1CCN(c2ccccn2)CC1,0,0,0,0
CN(C)Cc1ccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)cc1,0,0,0,0
COC(=O)C1=C(CN2CCN(C)CC2)NC(=O)NC1c1cc(C)ccc1C,0,0,0,0
COC1O[C@@H](c2ccc(Cl)c(Cc3ccc(OC(=S)N(C)C)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CC(C)N(c1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(Cc3ccccc3)cc2C(=O)O)c1F)C(C)C,0,0,0,0
CSc1ccc(/C=N/NC(=O)COc2ccc(Br)cc2Cl)cc1,1,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2cccc(C(F)(F)F)n2n1,0,0,0,0
Cc1cc(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)cc(C)c1Cl,1,1,0,0
C[C@H]1CCC[C@@H](N2CCC(c3c(F)ccc(Cl)c3F)=CC2=O)c2cc(ccn2)-c2cn[nH]c2NC1=O,0,0,0,0
CC(C)C(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
Clc1ncc2ncnc(Nc3cccc(Br)c3)c2n1,0,0,0,0
Cc1nc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)ccc1F,0,0,0,0
Cn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,0,0,0,0
CC(C)(COc1ccc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O,0,0,0,0
N#CCSc1ncnc2ccccc12,0,0,0,0
Oc1ccc2[nH]c(-c3cccc(F)c3F)nc2c1CN1CCCC1,0,0,0,0
CCOC(=O)C1=C(COC(=O)c2ccc3ccccc3c2O)NC(=O)NC1C,0,0,0,0
O=S(=O)(c1ccccc1)c1nnn2c1nc(N1CCCC1)c1sccc12,0,0,0,0
CCOC(=O)c1ccc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)cc1F,0,0,0,0
O=C(C=Cc1ccco1)OCc1nnc(-c2ccc(Cl)cc2)o1,0,0,0,1
O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2Br)CC1,0,0,0,0
Cc1ccc(N2C(=O)C3C4C=CC(CNC(=S)N5CCN(c6ccccn6)CC5)(O4)C3C2=O)cc1,0,0,0,0
COc1cccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)c1,0,0,0,0
Cc1nc(-c2nc(C(=O)NCCCCC(=O)NO)c(CC(C)C)s2)cs1,0,0,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1cc(F)c(-c2ccco2)cc1F,0,0,0,0
CCOC(=O)c1cnc2c(ccc3ccccc32)c1Cl,0,1,0,0
COc1cc(C(O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ncc1C#N,0,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccc(F)cc3)C(=O)C(=O)O)ccc21,0,0,0,0
CCOc1ccc(/N=C/C=C/c2ccccc2)c(O)c1,0,1,0,0
O=C(O)C1CN(Cc2ccc(-c3noc(-c4noc(-c5ccccc5)c4C4CC4)n3)cc2)C1,0,0,0,0
COC(=O)C/C=C/[C@@H](C)[C@@H](/C=N/OCC[C@@H]1C=C[C@H](OC(C)=O)[C@@H](COC(C)=O)O1)NS(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCOc1ccc(CNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1,1,0,0,0
Cc1cccc(-c2n[nH]c(C3CN(Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccccc5)cc4)C3)n2)n1,0,0,0,0
COc1ccc(-c2c(-c3ccccc3OC)oc3ccccc23)cc1F,0,0,0,0
COc1cccc(NC(=O)c2ccnc(N3CCC(C(=O)NCc4cc(OC)ccc4OC)CC3)c2)c1,1,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2ccc(Cl)cn2n1,0,0,0,0
COc1cccc(C(=O)N2CCN(Cc3c[nH]nc3-c3ccc(F)cc3F)CC2)c1,0,0,0,0
CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1cnn(C)c1,0,0,0,0
Cc1ccc(NC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)cc1C,1,0,0,0
COc1ccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)cc1OC,0,0,0,0
CCN(CC)S(=O)(=O)NCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1,0,0,0,0
O=C1CNC(=O)N1C(CCc1ccncc1)COc1ccc(-c2cccc([N+](=O)[O-])c2)cc1,0,0,0,0
CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3cccs3)CC2)cc1,0,0,0,0
Cc1cc(=O)n2nc(-c3ccc(C(F)(F)F)cc3)sc2n1,0,0,0,0
O=C(CCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O)NCC1CCCO1,1,0,0,0
CC(C)C(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,0,0,0,0
CCCCNC(=O)CCCN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
c1cc(C2CCCCC2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0,0,0
CCOc1ccc(CCNS(=O)(=O)c2c(C)n[nH]c2C)cc1OCC,0,0,0,0
CCn1ncc2c1C(=O)NC1c3ccccc3C(=O)N21,0,0,0,0
O=C(Nc1ccccc1Cl)c1ccc(-c2ccccn2)s1,0,1,0,0
NC(=O)c1ccc2nc(-c3ccc(OCCC4CCCCN4Cc4ccc(Cl)cc4)cc3)[nH]c2c1,0,0,0,0
Cc1cscc1-c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,0,0,0,0
O=c1[nH]c2ccccc2n1-c1nc2ncccc2o1,0,0,0,1
C=CS(=O)(=O)Nc1cccc(CNc2c(C(N)=O)cnn3cccc23)c1,0,0,1,0
CCOC(=O)C(C)Sc1nc(=O)n2ccccc2n1,0,0,0,0
CN(C)S(=O)(=O)c1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccccc3)c2c1,0,0,0,0
CC1(C)CC(=O)C(N=Nc2ccc3ncsc3c2)=C(O)C1,0,1,0,0
c1ccc(COCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4cc(OCCN5CCOCC5)ccc4c3)cc2)cc1,0,0,0,0
CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C3CCCO3)c(C(=O)O)c2)nc1,0,0,0,0
CC1CCCCN1C(=O)c1ccc(Br)o1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(C#N)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
O=C(CSc1nnc(-c2ccccc2O)o1)Oc1ccc(Br)cc1,1,0,0,0
O=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1,0,0,0,0
CCCN(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)s1,1,1,0,0
O=C(Nc1ccc(Oc2cccnc2)cc1)c1ccccc1F,0,1,0,0
CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1,0,1,0,0
CN(C)c1cccc(-c2c3c(=O)n(-c4ccccc4Cl)[nH]c3cc(=O)n2C)c1,0,0,1,0
c1ccc2c(c1)oc1c(NCC3CCCO3)ncnc12,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(C(O)c4ccc5c(c4)OCCO5)cc3)[nH]c2c1,0,0,0,0
CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(N(C)C)CC1,0,0,0,0
CC(C)(C)NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1,0,0,0,0
COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4,0,0,0,0
N#Cc1cc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)ccc1F,0,0,0,0
Cn1cc(S(=O)(=O)NCc2ccc3c(c2)C(C(C)(C)c2ccc(Cl)cc2)NCC3)cn1,0,0,0,0
CC(C)[C@H](CC1CCC(NCC2CC2)CC1)N1CCc2ccc(Oc3ccc(F)cc3F)cc2C1=O,0,0,0,0
CCN(CC)CCCNc1nc(Nc2ccccc2Cl)nc(Nc2cc(C3CC3)[nH]n2)c1Cl,0,0,0,0
Cc1ccc(OCCCCn2c(CO)nc3ccccc32)cc1,1,0,0,0
N#CC1(C#N)c2c([nH]c3ccccc23)OC2c3ccccc3C(=O)C21,0,0,0,0
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1OC,1,0,0,0
Cc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)nc(C)c2c1,0,0,0,0
CC(=O)N1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1,1,0,0,0
Cc1cccc(N(Cc2cc(F)c(F)cc2F)C(=O)O[C@H]2C[N+]3(CCCc4ccccc4)CCC2CC3)c1,0,0,0,0
CC1CC(C)CN(C(=O)COC(=O)c2ccc3ccccc3n2)C1,0,0,0,0
CC1(C)Cc2c(CN3CCC4(CC3)CCN(C(=O)c3ccc(N)cn3)CC4)cccc2O1,0,0,0,0
C=CCn1cc(C(=O)NCc2cccnc2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21,1,0,0,0
O=C(Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc4c(c3)CCNC4)n2)c1)c1c(F)cccc1F,0,0,0,1
CN(Cc1ccncc1)C(=O)c1cc(C#N)ccc1C1C2=C(CCC2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1C,0,0,0,0
C[S+]([O-])c1ccc(-c2coc3ccc(-c4n[nH]c(=O)o4)cc23)cc1,0,0,0,0
O=C([O-])CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O.[Na+],0,1,0,0
CC12CN3CC(C)(CN(C1)C3c1ccccc1F)C2,0,0,0,0
O=C(OCc1nc(-c2ccccc2)oc1COC(=O)c1ccco1)c1ccco1,0,0,0,0
COc1cc(C2Nc3ccccc3-c3cc(C)nn32)ccc1O,0,0,0,0
Nc1cnc(-c2ccc(C3CCC3)c(Oc3nc(N)c4ccccc4n3)c2F)cn1,0,0,0,0
Oc1ccc(F)cc1-c1cc(-c2ccc3c(c2)OCCO3)n[nH]1,0,1,0,0
CN(C)Cc1nc2c(sc3ccc(C(F)(F)F)cc32)c(=O)[nH]1,0,0,0,0
CN(Cc1nc(Cc2cccc(C(F)(F)F)c2)no1)C1CC(C)(C)NC(C)(C)C1,0,0,0,0
Clc1cccc(Sc2ccc(-c3ccccn3)s2)c1,0,0,0,0
CCCn1c(SCC(=O)NCC)nc2sc3c(c2c1=O)CCC3,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc12,0,0,1,0
Cc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1,0,0,0,0
Cn1nc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2c1-c1ccccc1S(=O)(=O)C2,0,0,0,0
C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21,0,0,0,0
O=S(=O)(NCC1OCCc2ccccc21)c1ccc(S(=O)(=O)N2CCOCC2)cc1,1,0,0,0
O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cccs1,0,0,0,0
Clc1ccc(C2(CN3CCCC3)CCCCC2)cc1Cl,0,0,0,0
Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(-c2cccc(F)c2)ccc1F,0,0,0,0
Cc1ccc(Nc2nnc(SCC(O)=C(C#N)c3nc4ccccc4[nH]3)s2)c(C)c1,0,0,0,1
CCc1ccccc1NC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccccc2)CC1,0,0,0,0
Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1,1,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(Br)cc1,0,0,0,0
Cc1c(NC(=NS(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1cc(OC)c(C2=NOC(C(=O)N3CCc4ccccc4C3)C2)cc1Cl,1,0,0,0
COc1ccc(NC=CC(=O)C2=C(O)CC(C)(C)CC2=O)cc1,1,0,0,0
C=CC(=O)N1CCC(Oc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3)nc3[nH]cc(-c4cncc(NC)n4)c23)CC1,0,0,1,0
O=C(NCCN1CCOCC1)c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12,1,0,0,0
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC3CCN(S(C)(=O)=O)CC3)nc21,0,0,0,0
COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c(C#N)c1,0,0,0,0
OC[C@@]1(O)C[C@H](NCc2ccc(Br)cc2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
COc1cc(F)ccc1S(=O)(=O)n1c(C)nc2ccccc21,0,0,0,0
O=C(CCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0,0,0,1
Clc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1,0,1,0,0
CCOc1ccccc1-n1c(CN2CCN(C(=O)c3ccco3)CC2)nc2ccccc2c1=O,0,0,0,0
O=c1c2c3nc4ccccc4nc3n(N=Cc3cccs3)c2ncn1-c1ccccc1,0,0,0,0
CC(=O)Oc1ccccc1/C=C1\CCOC1=O,0,0,0,0
Cc1cc(Br)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,0,0,0,1
N#CC1(c2ccccc2)CCC(=O)N1Cc1ccccc1,0,0,0,0
Cc1cc(Nc2ccc(F)cc2F)n2nc(C)nc2n1,0,0,0,0
COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)c1,1,0,0,0
CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc(OC)c(OC)c(OC)c1,0,0,0,0
Clc1ccc(Cn2ccc3ccccc32)cn1,0,0,0,0
O=c1cc(CN2CCOCC2)c2cc(O)ccc2o1,0,0,0,0
O=C(c1cc(C2CC2)nc2ccc(Br)cc12)N1N=C(C(F)F)CC1(O)C(F)F,0,0,0,0
N=C(N)c1ccc(C(=O)Nc2ccc3c(c2)CN(CCC(=O)O)C(=O)CN3)cc1,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(C)=O)CCC2,0,0,0,0
COc1cccc(N=Nc2c(N)[nH]n3c(=O)cc(-c4ccccc4)nc23)c1,1,1,0,0
Cn1c(=O)n(CCCN2Cc3ccccc3C2)c2ccccc21,0,0,0,0
Cc1cccc(-c2nc(CSCC(=O)NCCc3ccc(Cl)cc3)c(C)o2)c1,1,0,0,0
Cc1c(Cl)cc(OCC(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
Fc1ccc2c(Nc3cccc(Br)c3)ncnc2n1,0,0,0,0
Cc1ccc(NC=C2C(=O)CC(C)(C)CC2=O)nc1,0,0,0,0
O=C(NC(=O)c1ccccc1)Nc1ccccc1O,0,1,0,0
CN(C)S(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1,0,0,0,0
CNS(=O)(=O)c1cnc(Nc2ccccc2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,0,0,0,0
Cc1cn2cc(C(=O)N3CCC(F)(F)C3)cc2c(C#Cc2ccsc2)n1,0,0,0,0
CCOC(=O)c1cn2nc(Oc3cccc(F)c3)ccc2n1,0,0,0,0
COCCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C,0,1,0,0
COc1cc2c(cc1O)C[C@H]1NCCc3cc4c(c-2c31)OCO4,0,0,0,0
CCc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cc1,0,0,0,0
C=CS(=O)(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
C=CC(=O)N1CC2(CC(n3nc(C4CCCCC4)c(-c4c(Cl)ccc5[nH]ncc45)c3C)C2)C1,0,0,1,0
CN1CCc2c(C#N)c(N3CCOCC3)nc(NCC3CCCO3)c2C1,0,0,0,0
CCCN(CC1CC1)c1nc(C)nc(N(C)c2c(Cl)cc(Cl)cc2Cl)c1C,0,0,0,0
Cc1cnc(C#N)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
O=C(O)CCC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)CCC(=O)O)ccc1-2,0,0,0,0
CCCCn1c(SCC(=O)N2CCC(C(=O)OCC)CC2)nc2cc(S(N)(=O)=O)ccc21,1,0,0,0
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1,1,0,0,0
C=CCN(c1nc(C)nc(N(CC)c2ccc(C(C)C)cc2Br)n1)C1CC1,0,0,0,0
O=C(O)COc1ccc(C(F)(F)F)cc1C1CCCCC1,0,0,0,0
CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,0,0,0,0
Cc1ccc(N2CC(O)(c3cccs3)[N+]3=C2CCCC3)cc1,0,0,0,0
C=CCOc1c(CNc2cccc(C(=O)O)c2)cccc1OC,1,1,0,0
CN(C)C(=O)c1ccc(N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccc(Cl)cc4)oc23)CC1,0,0,0,0
Cc1cccc(NC(=O)c2sc3nc(N)c(C#N)cc3c2N)c1,0,1,0,0
NC(=O)CSc1nnc(COc2ccccc2)n1C1CCCCC1,0,0,0,0
O=C(c1ccc(Cl)cc1-n1nccn1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)n[nH]1,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccccc1F,1,0,0,0
O=C(NN=CC=Cc1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1,1,0,0,0
COc1ccc(Cl)cc1C(=O)NCCc1ccc(S(=O)(=O)NC(=O)NC2CCCCC2)cc1,0,0,0,0
O=C(O)c1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1,0,0,0,0
Cc1sc2ncn(CC(=O)OCC(=O)NC(C)(C)C)c(=O)c2c1C,0,0,0,0
CC(C)(C)c1cc(=O)nc(SCc2ccccc2)[nH]1,0,0,0,0
N#CC1(c2ccccc2F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
CN(C)S(=O)(=O)c1ccc(-c2cnn3c2CN(c2ccnc4[nH]ccc24)CC3)cc1,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1,0,0,0,0
COc1cc2c(cc1-c1c(C)noc1C)[nH]c1ccnc(Cl)c12,0,0,0,0
COc1ccc(C(=O)C2CCCN(C(=O)c3cccc(N(C)C)c3)C2)cc1OC,1,0,0,0
CC(c1ccccc1)N1C(=O)C2C3CCC(C3)C2C1=O,0,0,0,0
O=C(O)c1ccc(C2CCCc3cncn32)cc1,0,0,0,0
NC1[C@H]2CN(CCCNc3c4c(nc5ccccc35)CCCCC4)C[C@@H]12,0,0,0,0
O=C(c1cccc2nccnc12)N1CCCC(Nc2ccc(F)c(F)c2)C1,0,0,0,0
COCC(C)n1c(C)cc(C(=O)COC(=O)c2nc3nc(C)cc(C)n3n2)c1C,1,0,0,0
c1csc(CSc2nnc3sc4ccccc4n23)c1,0,1,0,0
CC(C)CC(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
CN(C)c1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2n1C,0,0,0,0
COc1cc(CO)cc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1,0,0,0,0
CC1CC/C(=N\Nc2nc(-c3ccc(F)cc3)cs2)C1,0,0,0,0
CCOc1ccc(-n2nc(CO)c(C(=O)NCc3cccc(OC)c3)n2)cc1,0,1,0,0
CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C(C)C,0,0,0,0
COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cn2)c1,0,1,0,0
COc1cccc(C(=O)/C=C2/C(=O)Nc3cccc(Cl)c32)c1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3F)C2)nc(C2CC2)c1F,0,0,0,0
c1ccc(-c2ccc(C(c3ccccc3)n3ccnc3)cc2)cc1,0,0,0,0
COc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
O=S(=O)(NCCc1cn2ccsc2n1)c1ccc(Cl)cc1,0,0,0,0
NCC[C@H]1CNC(=O)c2cc(-c3cccc(OC(F)(F)F)c3)c(-c3ccc(CN4CCOCC4)cc3)n21,0,0,0,0
COc1cccc2c1[C@@H]1CN(CCCCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)C[C@H]1CO2,0,0,0,0
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(=O)C(C)C,0,0,0,0
CCOC(=O)c1c(C)oc2nc(C)nc(NCCc3ccc(SC)cc3)c12,0,0,0,0
O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1,0,0,0,1
COC(=O)C(C)(C)c1nc2n(Cc3ccccc3F)c(C)c(-c3cccc(OC)c3)c(=O)n2c1CN(C)Cc1cccnc1,0,0,0,0
COc1cc(-c2nc(-c3cccnc3)cs2)ccn1,0,0,0,0
CS(=O)(=O)N1CCC(Nc2c(C(N)=O)cnc3[nH]ccc23)CC1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)CCS3)CC1,1,0,0,0
Cc1cc(N/N=C/c2ccc(N(C)C)cc2)nc(NCc2ccccc2)n1,0,1,0,0
Cc1[nH]c2ccccc2c(=O)c1CN1CCCCC1,0,0,0,0
C=CCC1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
O=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1,0,0,0,0
O=c1[nH]cnc(O)c1C(c1ccc2c(c1)OCO2)c1c(O)nc[nH]c1=O,0,0,0,0
COCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Oc1ccccc1F,0,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(Cc3ccccc3)CC2)C(=O)N1,0,0,0,0
Cc1nc2ccc(NCc3ccc(C(=O)NC(CCCN)C(=O)O)cc3)c(F)c2c(=O)[nH]1,0,0,0,0
COc1cc(-c2ccc3ncc(C(=O)CC(C)C)c(NC4CCC(N)CC4)c3c2)cc(Cl)c1O,0,0,0,0
CCCCc1nc2n[nH]c(N)c2c2c1CCC2,0,0,0,0
CCCCN1C=CC(=C2N=c3cccc([N+](=O)[O-])c3=N2)C=C1,0,1,0,0
Cc1ccccc1Nc1c(-c2ccncc2)nc2ccc(Cl)cn12,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(C)c3)c12,0,0,0,0
CCOC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1,0,0,0,0
OCCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
COc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,0,0,0,0
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)CC3c2cccc(O)c2)c1,0,0,0,0
N#Cc1ccc2c3c([nH]c2c1)C1(CCOCC1)c1cc(OC2CCNCC2)ccc1C3=O,0,0,0,0
CCOc1cc2ncnc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)c2cc1NC(=O)/C=C/CN1CCOCC1,0,0,1,0
CCC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1,0,0,0,0
Cc1cc(-c2cnc(-c3cccc(O)c3)s2)ccc1O,0,0,0,0
CCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1,0,0,0,0
CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCNCC1,0,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccc(Br)cc3)cc2)(N2CCN(C(=O)c3cccc(I)c3)CC2)C(=O)N1,0,0,0,0
CN(C)Cc1ccc(CSCCNc2cc(Oc3ccc([N+](=O)[O-])cc3)c([N+](=O)[O-])cc2[N+](=O)[O-])o1,0,0,0,0
O=C1CCCC(O)=C1N=Nc1ccc2ncsc2c1,0,0,0,0
O=C1NC(c2ccccc2)=N/C1=C/c1ccco1,0,1,0,0
COC(=O)Cc1c(C)[nH]c2nc(NCc3ccc(Br)cc3)nn2c1=O,0,0,0,0
C1N2CN3CN1CN(C2)C3,0,0,0,0
COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)c1,1,0,0,0
c1ccc2[nH]c(-c3ccncc3)nc2c1,0,0,0,0
CCOC(=O)C1CCCN(c2c(N3CCN(c4cccc(Cl)c4)CC3)c(=O)c2=O)C1,0,0,0,0
COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(/C=C(\C#N)C(N)=O)s4)cc2n3C(C)(C)C)cc1,0,0,0,0
CCN(C)c1cnc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)cn1,0,0,0,0
COCCn1c(=O)oc2cc3ncnc(Nc4cccc(C(C)=O)c4)c3cc21,0,0,0,0
CCOC(=O)Cn1nc(/C=C/c2ccccc2)ccc1=O,0,0,0,0
COc1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(OC)c1,0,0,0,0
CN(C)C(=O)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CC(C)NC(=S)N/N=C/c1ccc(N2CCOCC2)cc1,0,0,0,0
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1,0,0,0,0
Cc1ccc2occ(C(c3nnnn3Cc3ccccc3)N3CCOCC3)c(=O)c2c1,0,0,0,0
COc1nccc2[nH]nc(-c3ccnc(C(F)(F)F)c3)c12,0,0,0,0
COc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1,0,1,0,0
Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4)nc12,0,0,0,0
COCC1CCCN1CC#CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,0,0,1,0
Cc1ccccc1Cn1c(CN2CCCC(C)C2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)Cc1cncn1C2,0,0,0,0
C[C@H](c1ccc(Cl)nc1)N1[C@@H]2CC[C@H]1CC(Oc1cccc(C(N)=O)c1)C2,0,0,0,0
CCc1nc(NCC2CCCO2)c2oc3ccccc3c2n1,0,0,0,0
CC(=O)Nc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc(C)cc1,1,1,0,0
Cn1nc(C(F)(F)F)c(CN2CC(C)(C)C2=O)c1N1CCOCC1,0,0,0,0
O=C(O)CN1C(=O)/C(=C2/C(=O)N(CC(=O)O)c3ccccc32)SC1=S,0,0,0,0
CNc1nn2c3c(c(C)nc2c1S(=O)(=O)c1ccccc1)CCC3,0,0,0,0
CCc1cc2c(-c3ccccc3)cc(=O)oc2c(CN2CCOCC2)c1O,1,0,0,0
CC(=O)c1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0,0,0
CSc1nc2sc3c(c2c(=O)n1C)CCC3,0,0,0,0
CSc1ccc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCOP(=O)(c1ccccc1)C(O)c1ccccc1,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1,0,0,0,0
COc1cc(Nc2ncc3c(C)nc(-c4cccc(Br)c4)n3n2)cc(OC)c1OC,0,0,0,0
CCOC(=O)c1cnc2c(C)cccc2c1NCCc1ccc(OC)c(OC)c1,0,0,0,0
Cc1cccc(NC(=S)N/N=C(\c2ccccc2)C(C)C)c1,0,0,0,0
CCn1c(=O)n(C)c2cc3c(N4CCN(C(=S)NCc5ccccc5)CC4)ncnc3cc21,0,0,0,0
CCc1cc2c(=O)n(N)c(CCC(=O)O)nc2s1,0,0,0,0
CCCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N(CCOC)CCOC)cc1,1,0,0,0
Cc1ccc(CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[nH]n23)cc1,0,0,0,0
O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1,0,0,0,0
Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1C(F)(F)F,0,0,0,0
Cc1nc2nccn2c(-c2ccc(Cl)cc2Cl)c1CN,0,0,0,0
COC1C(C)=C(C)C(=O)N1Cc1ccccc1,0,0,0,0
Cc1cccc(Nc2nc(NCCc3ccc(O)cc3)ncc2C(N)=O)c1,0,0,0,0
C[C@@H](NC(=O)CC(C)(C)C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
CN(C)c1ccc(CN(C)C2CCCCC2)cc1,0,0,0,0
CCn1c(NCc2cccs2)nc2ccccc21,0,0,0,0
CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)CCCC1CCCS1)C(C)C,0,0,1,0
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,0,0,0,0
CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccnc2F)CC1,0,0,0,0
Cc1ccc(C)c(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)c1,0,0,0,0
c1ncc(CCCn2cc(CC3CCCC3)nn2)[nH]1,0,0,0,0
CNc1ncnn2c(CO)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3)c12,0,0,0,0
O=S(=O)(c1cccc2ccccc12)N1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3c(F)cccc3F)C2)nc(C)c1F,0,0,0,0
Cc1cc(C=C2NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C,1,0,0,0
COc1c(Nc2ncc(Cl)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc2c1CC[C@@H](N1CCOCC1)CC2,0,0,0,1
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2ccccc2-n2cccn2)c2cc[nH]c2n1,0,0,0,0
COC(=O)c1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1,0,0,0,0
CCOC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,1,0,0,0
CC(C)NC(=O)CSc1nnc(-c2ccc3ncccc3c2)n1C,0,0,0,0
Cc1cc(SCc2ccccc2)nc(=O)[nH]1,0,0,0,0
COc1nccnc1NS(=O)(=O)c1ccc(N)cc1,0,0,0,0
Cn1sc(NC(=O)c2ccc(Cl)cc2)nc1=O,0,1,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(NC4CCOc5ccccc54)nc23)[nH]1,0,0,0,0
COc1cc(NC(=O)c2ccc3c(c2)OCO3)ccc1NC(=O)c1cccs1,0,1,0,0
O=c1nc(-c2ccccc2)n(-c2ccccc2)c2ncccc12,0,0,0,0
CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C)cc1,0,0,0,0
CC1(CCc2ccc3c(c2)OCO3)NCCc2c1[nH]c1ccccc21,0,0,0,0
CC(=O)C(C(=N)N1CCN(Cc2ccccc2)CC1)=C(C)O,0,0,0,0
CN(C)CC(=O)Nc1n[nH]c2c1CN(C(=O)C(C)(C)C)C2(C)C,0,0,0,0
Cn1cc(-c2cnc3ccc4ccc(CS(=O)(=O)NCCc5ccccn5)cc4c(=O)c3c2)cn1,0,0,0,0
CC(C)Cn1c(=O)n(C)c(=O)c2c(C(=O)N3CC[C@@H](O)C3)c(Oc3cccc4ccccc34)sc21,0,0,0,0
Cc1ccc(C2=NOC(=O)C2=CC=Cc2ccccc2)cc1,1,0,0,0
NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1,1,0,0,0
CC(C)CSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1,0,0,0,0
Cc1ccc(NC(=O)CCC(F)(F)F)cc1N1CCc2nc(Nc3ccc(OCCN4CCCC4)cc3)ncc2C1,0,0,0,0
Cc1cc(Br)cc(C(=O)NO)c1N(C)S(=O)(=O)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1,0,0,0,0
CC(=O)N1CCCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1,0,0,0,0
O=C(OCC(=O)N1CCc2ccccc21)c1c2c(nc3ccccc13)CCCCC2,1,1,0,0
Cc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
Cc1c(Cc2ccccc2)sc(NC(=O)C(C)(C)C)c1C(N)=O,0,0,0,0
COC(=O)c1ccccc1-n1c(C)nc2ccccc2c1=O,0,0,0,0
O=C(Oc1cccnc1)c1ccco1,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(OC)cc2)C1,0,0,0,0
CCC1=Nc2cc(C(=O)NCC(C)c3ccccc3)ccc2Sc2ccc(C)cc21,1,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccc(C#N)cc1C(=O)N1CCOCC1,0,0,0,0
CC(C)=CCCC(C)=CCCC1(C)Oc2c(c(O)cc3c2CN(C(CCC(=O)O)C(=O)O)C3=O)CC1O,0,0,1,0
O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2F)c1F,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3cc(C)no3)c(=O)n(C)n2)nc1,0,0,0,0
O=C(c1cccs1)[C@@H]1[C@@H]2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)[C@@H]2C2c3ccccc3C=CN21,1,0,0,0
Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(COCCN3CCCCC3)cc2)cc1,0,0,0,0
CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(-c3ccccc3)c(C(F)(F)F)c2)n1,0,0,0,0
Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,1,0,0,0
CC1CCCCN1C(=O)c1cc2c(=O)n3ccccc3nc2s1,0,0,0,0
Cc1ccc(C)c(-n2c(-c3csc(C)c3C)n[nH]c2=S)c1,0,0,0,0
CCc1nc(NC(CC)CC)c(CC)nc1Nc1ncc(Cl)cc1Cl,0,0,0,0
O=C1C=C(c2ccc3c(c2)oc2ccccc23)CC(c2ccc(Cl)cc2)C1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2sccc23)cc1C,0,0,0,0
COc1ccc([C@H](Cc2ccncc2)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1OC1CCCC1,0,0,0,0
CCc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])cc1,1,0,0,0
CC(=O)c1ccc(-c2ccc(Cn3c(C)nc4cc(N)c(C)nc43)cc2)cc1,0,0,0,0
CC1(C)O[C@@H]2[C@H](O1)[C@@H](COP(=O)([O-])O)O[C@H]2[n+]1cn(CCOc2ccc(Cl)cc2)c2c(=O)[nH]c(N)nc21,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)cc(F)c1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
COc1ccc(CNc2ccnc(-c3ccc4c(c3)OCO4)n2)c(OC)c1,1,0,0,0
Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1,0,0,0,0
COc1ccc(C(=O)N2CC=C(c3ccccc3)CC2)cc1S(=O)(=O)N1CCOCC1,1,0,0,0
Cn1cnc(S(=O)(=O)N(CCN(Cc2cncn2C)c2ncc(C#N)cn2)CC2CCN(c3ncccn3)CC2)c1,0,0,0,0
CN1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,1,0,0,0
CC(C)(N)C(=O)N[C@H](COCc1ccccc1)c1nnn(CCc2cc3ccccc3n2S(C)(=O)=O)n1,0,0,0,0
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccccc3)nc(-c3ccoc3)c2CO1,1,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1,0,0,0,0
NC[C@H]1CN(c2ccc3nc(C(F)(F)F)nn3n2)C(=O)C[C@@H]1c1ccc(Cl)cc1Cl,0,0,0,0
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(=O)(=O)N3CCS(=O)(=O)CC3)cc2)cc1,0,0,0,0
O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCCO2,0,1,0,0
COc1cccc2c1C1CN(CCCCn3c(=O)[nH]c4c(sc5ncc(-c6ccccc6)nc54)c3=O)CC1CO2,1,0,0,0
COc1ccc(CCN2CNc3c(c(=O)n(C)c(=O)n3C)C2)cc1OC,0,0,0,0
COc1ccc(C(CNC(=O)CSc2ccc(Br)cc2)N2CCOCC2)cc1,1,0,0,0
COc1cc(C2OCC3(O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23O)ccc1O,0,0,0,0
Nc1nc(CSc2ncn(-c3ccccc3)n2)cs1,0,1,0,0
O=C1CN(CC(=O)NC2CCCc3ccccc32)CCN1,0,0,0,0
Cn1cc(-c2cc(NS(C)(=O)=O)ccc2OC2CCOCC2)c2cc[nH]c2c1=O,0,0,0,0
Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4C3=O)cccc12,0,0,0,0
Cc1ccccc1OC(C)C1=NCCN1,0,0,0,0
Oc1ccc(-c2nc3ccc(Br)cn3c2NC2CCCCC2)cc1,0,0,0,0
Cc1c(C(=O)N(Cc2ccccc2)Cc2cccs2)cnn1-c1ccc(Cl)cc1,0,0,0,0
O=c1[nH]c2ncccc2cc1O,0,0,0,0
COc1cccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(C)c2)c1,1,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NC(CO)C(F)(F)F)ncc23)ccn1,0,0,0,0
CCc1ccc(N(CC(=O)NC2CCCCC2)S(=O)(=O)c2c(C)noc2C)cc1,1,0,0,0
OCC(c1ccc2c(c1)OCO2)c1c2ccccc2nc2ccccc12,0,0,0,0
O=C(COc1ccc(Br)cc1Cl)c1ccc[nH]1,0,1,0,0
O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(C(F)(F)F)cc3)ccc2O1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
CONc1ccn([C@@H]2O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)O[C@H]3O[C@H](CO)[C@@H](O)[C@H](F)[C@H]3O)[C@@H](O)[C@H]2O)c(=O)n1,0,0,0,0
Cn1ccc2ccc3c4[nH]c5c(CCN6CCCCC6)cccc5c4c4c(c3c21)C(=O)NC4=O,0,0,0,1
CCCc1nc(C)c2c(OC)nc3ccc(OC)nc3n12,0,0,0,0
CCOC(=O)C[C@@]1(C(C)=O)C(=O)Oc2ccc3ccccc3c2N1C,0,0,0,0
C/C(N)=C(/C#N)C(=O)COC(=O)c1cc2c(s1)CCC(C)C2,0,1,0,0
c1ccc(C2OC3c4cccc5cccc(c45)C3N2c2ccccc2)cc1,1,0,0,0
CNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
COc1ccc(CNc2ccc(C)c(C)c2)cc1,0,1,0,0
CN1C(=O)NC(=O)C12CCN(c1c(Cl)cncc1-c1ccc(-c3cnn(C)c3)cc1)CC2,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3F)C2)nc(C)c1F,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(F)cc(C(=O)O)c2)c1,0,0,0,0
COc1cc(C2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCCOC(C)C)cc(OC)c1OC,0,0,0,0
CC(C)NS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
COc1ccc(C(=O)Cc2cc3ccccc3oc2=O)cc1,0,1,0,0
COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(Cl)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1,0,0,0,0
O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0,0,0
CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C#N)C(C)C,0,0,0,0
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc(C)n(C)c1C,1,0,0,0
COc1cccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)c1,0,0,0,0
COc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c(OC)c1,0,0,0,0
O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2cc(-c3ccccc3)cs2)cc1)C(=O)Nc1cccc(CC(=O)O)c1,0,0,0,1
N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)ncc(/C=C/c2ccc(F)cc2)c1=O,0,0,0,0
CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(Cl)c3)[C@H]2C)cn1,0,0,0,0
NC1CCC(Nc2cncc(-c3ccc4oc(C(=O)O)cc4c3)n2)CC1,0,0,0,0
S=c1sc2ncccc2n1-c1ccccn1,0,0,0,0
CC(=O)Nc1ncc(SCCOc2ccccc2)s1,0,0,0,0
O=C1NCCc2ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c21,0,0,0,0
OCCSc1nc(-c2ccnc(NC3CCC(O)CC3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,1,0,0,0
COc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)cc1,0,0,0,0
CNc1nc(-c2ccc3[nH]cc(-c4cncc(OC(C)C)n4)c3c2)no1,0,0,0,0
COc1ccc(C(=O)Oc2c(OC)cc(C(=S)N3CCOCC3)cc2OC)cc1OC,1,0,0,0
C#CCCCn1cc(-c2cccc3c2NC(C)CC(=O)N3)cn1,0,0,0,0
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc[nH]c2n1)c1ncc(F)cn1,0,0,0,1
CCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
CCc1nc2sc3c(c2c(=O)n1N)CCC3,0,0,0,0
Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C=CC3=O)c2)cc1,0,1,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4OC)cc32)cc1C,0,0,0,0
COc1ccccc1-c1ccccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(Sc4ccc(F)c(Cl)c4)cc3)[nH]c2c1,0,0,0,0
Cn1nc(C(=O)OCC(=O)Nc2ccc(S(N)(=O)=O)cc2)c2ccccc2c1=O,1,0,0,0
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2cc[n+](O)cc2)ccc1N1CCCC1,1,0,0,0
Cc1ccc(C(=O)NCc2ccco2)cc1S(=O)(=O)N1CCCC1,1,0,0,0
CC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1,0,0,0,0
C=CC(=O)Nc1ccc(Cl)c(C(=O)N(CC)CC(O)(CNC(=O)c2cnn(-c3ccc(F)cc3)c2N)C(F)(F)F)c1Cl,0,0,1,0
CCn1c(SC(C)C(=O)O)nc2sc3c(c2c1=O)CCC3,0,0,0,1
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(Br)cc1,1,0,0,0
C=C(COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314)C(=O)OC,0,0,0,0
COc1ccc(-c2ccc(SCC(=O)N3CC(=O)Nc4ccccc43)nn2)cc1,0,1,0,0
Cc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)C(C)CC2(C)C,0,0,0,0
COc1ccc(/C=C2\N=C(C)OC2=O)cc1OC(C)=O,0,0,0,0
COc1ccc(CCCC(=O)Nc2ccccc2F)cc1,0,1,0,0
Oc1ccccc1/C=N/Nc1cccc2cccnc12,0,1,0,0
Cc1nc2cc(F)ccc2n1[C@H]1CCN(C(=O)OC2C3CC4CC2CC(C(N)=O)(C4)C3)C1,0,0,0,0
Fc1ccc(Nc2ncnc3nc(Nc4ccc(CCN5CCOCC5)cc4)sc23)cc1Cl,0,0,0,0
CCOC(=O)CN1C(=O)COc2ccc(Cl)cc21,0,0,0,0
CCCOc1ccc(Br)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,1,0,0,0
CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O,0,0,0,0
CN(Cc1cccc(F)c1)[C@H]1C2C3CC4C5C3CC2C5C41,0,0,0,0
COc1ccc(CCNC(=O)CN2CCN(c3cccc(Cl)c3)CC2)cc1OC,1,0,0,0
Cn1cc(C=C(NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)c2ccccc21,1,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(OC(F)(F)F)cc2)c1)C(F)(F)F,0,0,0,0
CC(C)(C)c1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1,0,0,0,0
Cc1ccc(-c2cc(=O)c3cc(F)ccc3[nH]2)cc1,0,1,0,0
C=CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1,0,0,0,0
COc1ccc(N2CCN(CC(=O)Nc3ccc(SC(F)F)cc3)CC2)cc1,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(OC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
NCCCC(CC(=O)NC1CCCCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)CC(CO)NC(=O)C1CNCCC1N,1,0,0,0
CC(=O)N1CC(C)Oc2ccc(S(=O)(=O)NC(CC(=O)O)c3ccccc3)cc21,0,0,0,0
Cn1c(=O)c(-c2ccc(F)c(F)c2)nc2cncnc21,0,0,0,0
COc1ccc(CCN2C(=O)N(NS(=O)(=O)Cc3cccnc3)C[C@@H]2c2ccc(OC)cc2)cc1,0,0,0,0
COC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0,0,0
Cc1ccccc1OCCCCn1cnc2ccccc21,0,1,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccc(F)cc2F)CC1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(O)cc3)CC21,0,0,0,0
O=C(O)CC(c1cccnc1)n1ccc2cc(OCC(F)(F)c3ccc4c(n3)NCCC4)ccc21,0,0,0,0
Cc1cc(N/N=C/c2ccc(Cl)cc2)nc(NCc2ccccc2)n1,0,1,0,0
O=S(=O)(/C=C/c1ccccc1)Nc1ccc2c(c1)OCO2,0,0,0,0
Cc1cccc(C)c1NC(=O)C1NC(=O)CC1c1ccccc1,0,0,0,0
CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl,0,0,0,0
C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCCC4)c(C(F)(F)F)c3)cc2)cn1,0,0,1,0
NC(=S)Cc1nc2n(n1)Cc1ccccc1-2,0,0,0,0
CC1CCC(NC(=O)c2ccc3c(c2)OCO3)CC1,0,1,0,0
O=S(=O)(CCCc1ccccc1)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1,0,0,0,0
CC(C)N1CCC(Oc2cc3[nH]c(C(=O)N4CCOCC4)cc3cc2F)CC1,0,0,0,0
COCCN1CCC(CNC(=O)c2n[nH]c3ccc(-c4cccc(F)c4F)cc23)CC1,0,0,0,1
c1ccc(CCCN2CCCN(CCOC(c3ccccc3)c3ccccc3)CC2)cc1,0,0,0,0
O=C(O)CC(c1cccnc1)n1ccc2cc(OCCc3ccc4c(n3)NCCC4)ccc21,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1cc(Cl)c(Cl)cc1Cl,0,0,0,0
COc1ccc(C=Nn2cnc3c(sc(=S)n3-c3ccccc3)c2=O)cc1,0,0,0,0
Cc1cnc(NCCc2ccc(F)cc2F)c(=O)n1CC(=O)NCCON=C(N)N,0,0,0,0
CCC(NCCOc1ccc(Cl)cc1)=C1C(=O)N(C)C(=O)N(C)C1=O,1,0,0,0
CC(=O)Nc1ccc(Nc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2Cl)cc1,0,0,0,0
COc1cc(C(=S)N2CCCC2)cc(OC)c1OS(=O)(=O)c1ccc(NC(C)=O)cc1,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccc(Cl)cc12,0,0,1,0
COc1ccccc1OCCCn1c(=O)oc2ccccc21,0,0,0,0
C=CCn1c(SCc2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccccc1F,1,0,0,0
C#CCN1CCN(C(=O)c2c(F)cc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1,0,0,0,0
Cn1c(=O)c2c(nc(N3CCOCC3)n2CCCNC2=NCCCCC2)n(C)c1=O,0,0,0,0
CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(F)cc1,1,0,0,0
CC(C)(NCC1CC1)c1nc2c(C(N)=O)cccc2[nH]1,0,0,0,0
O=c1c2ccccc2ncn1-c1ccccc1[N+](=O)[O-],0,0,0,0
CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(N)=N2,0,0,0,0
O=c1[nH]c(=O)n(C2CCCCCC2)c(O)c1C=NC1CCN(Cc2ccccc2)CC1,0,0,0,0
C/C(N)=C(/C#N)C(=O)COc1ncnc2ccc(Br)cc12,0,0,0,0
COc1ccc(C=CC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1O,1,0,0,0
Cc1ccccc1-c1noc(-c2nnn(-c3ccccc3C)c2N)n1,0,0,0,0
Nc1cc(C(=O)N2CCOCC2)cc(-c2cnc3[nH]cc(-c4ccncc4)c3c2)c1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N[C@H]1CCN(C(=O)CC#N)C1,0,0,0,0
CCOC(=O)CNC(=O)CSc1nc2cccnc2n1CC,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(N)=S)cc1OC,1,0,0,0
Nc1[nH]nc(-c2ccccc2)c1-c1ccccc1,0,0,0,0
CCOc1ccccc1C1CCC(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(N(C)C)cc1,0,0,0,0
C[C@@H](c1ccc(F)cc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1,0,0,0,0
Cc1ccccc1CNCCSc1nnnn1-c1ccccc1,0,0,0,0
COc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)n2-c2ccccc2)cc1,1,0,0,0
C=CC(=O)NCCCC[C@H](NS(=O)(=O)c1cccc2c(N(C)C)cccc12)C(=O)N1CCN(c2cccc(C)n2)CC1,0,0,1,0
Cc1ccc(N[C@H](C)c2cc(C)c(Cl)c(C)c2)cc1CNCCC(=O)O,0,0,0,0
CCOC(=O)c1ccc(NC2CCCCC2)c(N)c1,0,1,0,0
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NCC4CCC(N(C)C)CC4)c3c2)cc(Cl)c1O,0,0,0,0
Cc1cccc(-c2nn(CC(=S)Nc3ccccc3)cc2-c2ccc3ncccc3c2)n1,0,0,0,0
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cnc(C)cn1,0,0,0,1
Cc1ccnc2ccc(-c3nc4ccccc4o3)cc12,1,1,0,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C)c(C)c4)cs3)cc2)no1,0,0,0,1
CC1CCC2(CC1)SCC(=O)N2c1ccccc1,0,0,0,0
CCCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
Cc1cnc(CNc2cc(-c3ccc(N(C)C)cc3)ncn2)cn1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CC(C)(C)C3)cc(Cl)c12)C(=O)NCC(F)(F)F,0,0,0,0
COc1ccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)cc1,0,0,0,0
CCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
CC1=C/C(=C/N(C)c2ccccc2)C(=O)S1,1,0,0,0
Cc1cc2ccc1[C@@H](C)COC(=O)Nc1cc(F)c(O[C@@H]3CCOC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)nccc2c1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(=O)NCC(F)(F)F,0,0,0,0
COC(=O)C1C2CCC(CC1c1ccc(Br)cc1)O2,0,0,0,0
N#CCSc1nc(-c2ccccc2)nc2ccc(F)cc12,0,0,0,0
Clc1ccccc1N1CCN(CCN2CCC3(CCCC3)CC2)CC1,0,0,0,0
CC(=O)Nc1cccc(OC(=O)N2CCCCC2)c1,0,0,0,0
COc1ccc2c(c1)OCC21C(=O)N(C[C@H]2CCCO2)c2ccccc21,0,0,0,0
Cn1cc(-c2cc(S(N)(=O)=O)cnc2Nc2ccccc2)c2cc[nH]c2c1=O,0,0,0,0
CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3CC)CC2)CC1,1,0,0,0
Cc1nc(C[C@H](C)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCC(C)C)C(C)C)cs1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(C)c3c(n2)CCC3)cc1,0,0,0,0
COC(=O)C1(C)NC(c2ccc(OC)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
CCCn1cnc2c1CC[C@@](CCCN)(C(=O)O)C2,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2cccc(Cl)c2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2[nH]1,0,1,0,0
CC(=O)N1c2ccccc2N(Cc2ccc(C)cc2C)C(=O)C1(C)C,1,0,0,0
CCOC(=O)c1cccc(-n2c(C)nc3ccccc3c2=O)c1,0,0,0,0
CCNC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,0,0,0,0
Cc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1C,0,0,0,0
CC(=O)C(/C=N/c1cc(-c2ccc(C)cc2)nn1-c1ccccc1)=C(\C)O,0,0,0,0
COc1cccc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)c1OC,0,1,0,0
Cc1nc2n(n1)C(=O)C(C(c1ccco1)N1CCN(c3ccc(F)cc3)CC1)S2,0,0,0,0
NS(=O)(=O)c1cccc(-c2n[nH]c3ccc(NS(=O)(=O)Nc4ccccc4)cc23)c1,0,0,0,0
N#Cc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
O=c1[nH]cnc2[nH]c(-c3cccc4ccc(Nc5ccccc5)nc34)cc12,0,0,0,0
Cc1cc(C)nc(-n2nc(C)c3c(C(F)(F)F)cc(=O)[nH]c32)n1,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(-c2ccccc2Br)o1,0,0,0,0
COc1cc(S(=O)(=O)c2cccc(OC(F)(F)F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NCCCOC)cc1,0,0,0,0
CCOC(=O)c1sc2ncnc(N3CCN(C)CC3)c2c1C,0,0,0,0
Cc1ccc(C(C2Sc3ncnn3C2=O)N2CC(C)CC(C)C2)cc1,1,0,0,0
COc1ccc(N2C(=O)C(=O)/C(=C(/O)c3ccc(C)cc3)C2c2cccnc2)cc1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@@H](O)[C@@H]2O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
COc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1,0,0,0,0
Cc1ccc2ncc(NC(CC(C)C)c3ccc(C(=O)NCCC(=O)O)cc3)cc2c1,0,0,0,0
C=CCOc1ccc(C=C2SC(=S)N(N3CCOCC3)C2=O)cc1,0,0,0,0
CCCN(CCC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[SH]2[O],1,0,0,0
Clc1csc2cc(Nc3nccc(-c4ccccn4)n3)ccc12,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cnc4ccccc4n3)C2)cc1,0,0,0,0
COc1ccc(C2(O)c3ccccc3C3=NCCN32)cc1,0,0,0,0
O=C(/C=C/c1cn(CC(O)CN2CCCCCC2)c2ccccc12)c1ccc(Br)cc1,1,0,0,0
COc1ccc(CCNC(=O)CC(C)=NNC(=O)c2ccc(N)cc2)cc1OC,1,0,0,0
Cc1ccc(S(=O)(=O)/N=c2\ccc(Cl)cn2C(F)F)cc1,0,0,0,0
O=C1COc2ccc(C3(O)c4ccccc4C(=O)N3Cc3cccc(F)c3)cc2N1,0,0,0,0
CO[C@]1(C)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,0,0,0,0
CSc1nc(C)c(Oc2ccccc2)c(=O)n1C,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N1CCN=C1SCc1ccccc1,0,0,0,0
Cc1cnc(CNc2nc(-c3c(C)noc3C)nc3ccccc23)cn1,1,0,0,0
C=C1C(=O)OC2C1CCC(C)=C1CCC(=O)OC12C,0,0,1,0
O=C(O)CSc1nc2ccccc2nc1Cc1ccccc1F,0,0,0,0
C=CCn1c(=O)c(CCC(=O)Nc2ccc(N3CCOCC3)cc2)nc2cc(C(F)(F)F)ccc21,1,0,0,0
COc1cc(C(=O)N2CC3CC(C2)c2cccc(=O)n2C3)cc(OC)c1OC,0,0,0,0
C=CCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S,0,0,0,0
N#Cc1ccc2cc1Oc1ccc3c(c1)[C@H](CC3)N1CC[C@H](NCc3cncn3C2)C1=O,0,0,0,0
CN(C)c1ccc(-c2ccc(C3C4C=CCCC4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1,0,0,0,0
O=C(O)/C=C/c1ccc2c(-c3ccccc3)onc2c1,1,0,0,0
O=C(CCl)N(c1ccccc1)C1CCCCC1,0,0,0,0
Cn1cc(-c2cnc(Nc3cccc(Cn4nc(-c5cnn(CCO)c5)ccc4=O)c3)nc2)cn1,0,0,0,0
COc1ccc(-c2c[nH]nc2-c2ccc(OC)cc2)cc1,0,0,0,0
CC(C)[C@H](CO)NCc1nc(N2CCCC(C(F)(F)F)C2)ccc1F,0,0,0,0
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3cccnc3)CCC1CC2)(c1ccccc1)N1CCCCC1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccccc2)CC1,1,0,0,0
COc1ccc2c(c1)CCCN2c1nc(C)nc2oc(C)cc12,0,0,0,0
Cc1cnc(CNc2cc(OC[C@@H]3CC3c3ccn(C)n3)nn(C)c2=O)s1,0,0,0,0
O=C(Cc1nc2ccccc2[nH]c1=O)c1ccccc1,0,1,0,0
CCSc1nc2ccccc2n1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1ccccc1-c1cccc([C@@H]2C[C@H]3CN(Cc4cccnc4)C(=O)[C@]34CCCN24)c1,0,0,0,0
CCOC(=O)Cc1csc(NC(=O)C(C)(C)CC)n1,0,0,0,0
CC(C)n1c(-c2cccnc2)nc2cnccc21,0,0,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CN(C)CC3)nc(NC)c1Cl,0,0,0,0
Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)COC(C(C)C)C4,1,0,0,0
COc1ccc(C)cc1Nc1nc(N)c2ccccc2n1,0,0,0,0
O=c1[nH]c2ccccc2n1C1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1,0,0,0,0
CCCCN(C)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0,0,0
O=S(=O)(c1ccc(OC(F)(F)F)cc1)N1CCCC(c2ccccc2)C1,0,0,0,0
COc1ccc(Cl)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
O=[N+]([O-])c1ccc(C2=C[N+](=O)C3CCCCC3N2O)cc1,0,0,0,0
Cc1cn2c(N)c(C=C3C=Nc4ccccc43)c(=O)nc2s1,0,0,0,0
O=C(NCCC1=CCCCC1)c1cc(-c2ccncc2)nc2ccccc12,1,0,0,0
CC(/C=C/c1cccc([N+](=O)[O-])c1)=N/NC(=O)c1cccnc1,1,0,0,0
CCOc1ccccc1C(=O)Oc1c(Sc2ccccc2)c(C)nn1C(C)(C)C,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCc1ccc(OC(C)C)cc1,0,0,0,0
O=C1/C(=C/C=C/c2ccccc2)SC(=S)N1CCS(=O)(=O)O,0,0,0,0
CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)COCC(=O)O)c1,0,0,0,0
Cc1nc(SC(C(=O)c2ccccc2)c2ccccc2)nc2ccccc12,1,0,0,0
O=c1c2oc3ccccc3c2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc2c(c1)OCO2,0,0,0,0
CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0,0,0,0
O=C1CNC(=S)N1CCc1ccc(Cl)cc1,0,0,0,0
CCNC(=O)CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O,0,0,0,0
CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1,0,0,0,0
CCOc1c(Nc2cccc(Cl)c2)c(=O)c1=O,0,0,0,0
Cc1ccc(C)c(CSc2nnc(-c3cccnc3)n2N)c1,0,0,0,0
CC(=O)c1c(C)nc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
COC(=O)[C@H](c1ccc(I)cc1)[C@H]1CCCCN1,0,0,0,0
COc1ccccc1C(=O)Nn1cnc2ccccc2c1=O,0,0,0,0
[O-][n+]1ccc(CC(c2ccc(Cc3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1,0,0,0,0
CN(C)c1ccc(/C=C2\CCCCC2=O)cc1,0,1,0,0
CO[C@@H](CN1C2CCC1CC1(CCN(C3=C(C)C(=O)OC3)C1=O)C2)c1ccc2c(c1C)COC2=O,0,0,0,0
CCN(CC)CCOCCOC(=O)C1(c2ccccc2)CCCCC1,0,0,0,0
N#C[C@@H]1CCCCC1n1cc(C(N)=O)c(Nc2ccccc2)n1,0,0,0,0
CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(N3CCOCC3)c(C(F)(F)F)c2)n1,0,0,0,0
Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c2)no1,0,0,0,0
COc1cc(C2NCc3ccccc3-n3cccc32)ccc1O,0,0,0,0
O=C(NN=Cc1ccc(OC(=O)c2cccs2)cc1)c1cccc(F)c1,0,0,0,1
CN(C)S(=O)(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)cn2)CC1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(OC)c3)oc2C)CC1,1,0,0,0
COc1ccc(-c2noc(C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)c(OC)c1,0,0,0,0
CN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1,1,0,0,1
CN(C)c1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)cc1,0,1,0,0
Cc1csc2c(Nc3cn(C)cn3)nc(N[C@@H](C)c3ncc(F)cn3)nc12,0,0,0,0
Nc1cc(Nc2cccc(Oc3cc(Nc4ccc(OCc5cccc(F)c5)c(Cl)c4)ncn3)c2)ncn1,0,0,0,0
Cc1no[n+]([O-])c1COc1cccc(/C=C2\N=C(c3ccccc3)OC2=O)c1,0,0,0,0
CCCCCN(C(=O)CCC(=O)OC(C)C(=O)NCc1ccccc1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
CCCCCCOC(=O)[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,0,0,0,0
CCc1nc2ccc(C)cc2c(C(=O)Oc2cccc3cccnc23)c1C,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2cc(Cl)ccc2o1,0,0,0,1
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1OC,0,1,0,0
COCC(=O)Nc1nnc(SCC(=O)N2CCCCC2)s1,1,0,0,0
CN(C)c1ccc(N=Nc2ccccc2C(=O)OCC(=O)N(C)C2CCCCC2)cc1,0,1,0,0
Cc1nn(Cc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1sc2ccccc2c1Cl,1,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O,0,0,0,1
Cc1cccc(N2CCN(Cc3cn[nH]c3-c3ccc4[nH]c(=O)oc4c3)CC2)c1C,0,0,0,0
CCOC(=O)c1cnc2c(OC)cccc2c1Nc1ccc2c(c1)OCCO2,0,0,0,0
CCc1cccc2c1-c1ccc(C(=O)NC(=N)N)cc1C2(C)O,0,0,0,0
Cc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1,1,0,0,0
CCOc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2ccccc2)cc1,0,0,0,0
CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NCCN(C)C)c2c1C,0,0,0,0
CN1N=C2c3ccccc3CCC2C1c1ccc(C(F)(F)F)cc1,0,0,0,0
Cc1cc2ccccn2c1C(=O)c1ccc(NN=Cc2ccc(C(=O)O)cc2)c([N+](=O)[O-])c1,0,0,0,1
CC(C)N1CCC(Oc2ccc(CN3CCCCCC3)cc2)CC1,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3ccc(F)cc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,0,0,0,0
CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1,1,0,0,0
O=C(N[C@@H]1CC[C@@H](c2cccc(F)c2F)CN(CC(F)(F)F)C1=O)N1CCC(c2ccn[nH]c2=O)CC1,0,0,0,0
CCC(=O)C1CCCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1,1,0,0,0
COc1ccc(C=CCN2CCN(Cc3ccc(C)cc3)C(CCO)C2)cc1,1,0,0,0
CN(CCCNS(=O)(=O)c1cccc2cccnc12)Cc1ccccc1,0,0,0,0
COc1ccccc1C(C)=NNC(=S)NCc1ccccc1,0,0,0,0
O=C(c1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,0,0,0,0
Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)c(F)c1,0,0,0,0
Cc1cc(C(=O)N2CC3CNCC3C2)on1,0,0,0,0
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CC(=O)N3C)C1,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)cc2)c1)C(F)(F)F,0,0,0,0
CC(C)(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,1,0,0,0
COc1ccccc1N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1,0,0,0,0
CC1=CC(=O)OC1Cc1ccncc1,0,0,0,0
CCC(=O)N(C)/C=C1\Sc2ccccc2C1=O,0,1,0,0
NCCN[C@@H](Cc1cn(CC2CCC2)cn1)C(=O)O,0,0,0,0
Oc1cccc(-c2nc(-c3ccc(Cl)cc3)cc(N3CCOCC3)n2)c1,0,0,0,0
COc1cc(CN(C)CCOC(C)C)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
Cc1cccc(OCCCn2c(=O)oc3ccc(C)cc32)c1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(=O)NCCF,0,0,0,0
C=CCOC(Cn1ccnc1)c1ccc(Cl)cc1Cl,0,0,0,0
c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1,0,1,0,0
Cc1cc2c(cc1C)N(C)CC(C1=NCCN1)O2,0,0,0,0
Cc1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)c(Br)c1,1,0,0,0
CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1,0,0,0,0
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,0,0,0,0
CC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O,0,0,0,0
Cc1noc(C)c1COc1ccc(C(=O)OC(C)C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1,1,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)cc(Cl)c1,0,0,0,0
CS(=O)(=O)c1ccccc1CSc1[nH]c(=O)c(C#N)c2c1CCCC2,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(S(=O)(=O)N3CCCC3)c2)cc1,0,0,0,0
COc1ccc(-c2nc3cncnc3n(-c3ccccc3)c2=O)cc1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1c(F)cccc1Cl,0,0,0,0
CC(C)Nc1cc(Nc2ncc(Cl)cc2F)ncc1C(=O)NC[C@@H](F)C(C)(C)O,0,0,0,0
CCOC(=O)c1cc(-c2ccc3cc(CCN4CCC[C@H]4C)ccc3n2)on1,0,0,0,0
CCN(CC)c1cc(-c2ccncn2)cc(=O)n1C,0,0,0,0
O=C(O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1,0,0,0,0
COc1nn2cc(-c3nc4cc(C)ccc4o3)nc2s1,0,0,0,0
Cc1cc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)cc(Cl)n1,0,0,0,0
O=C(Nc1cccc(S(=O)(=O)NC2=NCCC2)c1)c1cc(-c2ccco2)nc2ccccc12,0,0,0,1
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,0,0,0,0
O=C(CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1,0,0,0,1
CSCCC(Nc1ncnc2ccc(Br)cc12)C(=O)O,0,0,1,0
O=C(O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1,0,0,0,0
COc1ccc(C(=O)/C=C2/c3ccccc3CC(C)(C)N2C)cc1,0,1,0,0
CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccncc2)CC1,0,0,0,0
COc1cc(CN(C)CCc2ccccc2)ccc1OCc1ccccc1,1,0,0,0
CCCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1,1,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(F)c3)cn2CCN2CCC2)CC1,0,0,0,0
COc1cccc(C(c2sc3nc(-c4ccco4)nn3c2O)N2CCOCC2)c1,0,0,0,0
C/C=C\C=C\C(=O)Nc1cccc(C2=NOC3(C2)C[C@H](C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1,0,1,0,0
CCOC(=O)Cc1csc(NC(=S)NC(=O)C(C)(C)C)n1,0,0,0,0
O=C(O[C@H]1CCC2CCCC1N2S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1,0,0,0,0
COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2nc(=O)c3ccccc3[nH]2)cc1,0,0,0,0
CCn1ncc(C2(c3ccccc3)CC2)c1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C3CCCCC3)C[C@@H]2c2ccccc2)CC1,0,0,0,0
CCc1ccc(-c2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)cc1,0,0,0,0
CN(C)CCCc1ccc(C(F)(F)F)c(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1,0,0,0,0
CCc1ccc(CNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)cc1,1,0,0,0
CC(O)(C1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1)C(F)(F)F,0,0,0,0
Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5ccn(CC(C)(C)CO)n5)c34)n(-c3ccccc3)c(=O)c12,0,0,0,0
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Br)cc1Cl,1,0,0,0
O=C(/C=C1\SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1,1,0,0,0
Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccc(O)c3)C3(CCCC3)C2=O)cn1,0,0,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(F)c(Cl)c2)C3)c1C,0,0,1,0
Cc1nc2cc(C(=O)OCC(=O)N(CC(C)C)C3CCS(=O)(=O)C3)ccc2n1-c1ccccc1,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(O)CSc1nnc(Cn2cnc3ccccc32)n1CCc1ccccc1,0,0,0,0
CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0,0,0
Nc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1,0,0,0,0
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCCN(CCO)C2,0,0,0,0
N#CCc1nc2n(n1)Cc1ccccc1-2,0,0,0,0
Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)CNc3ccn[nH]3)c2F)cn1,0,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1S(C)(=O)=O,0,0,0,0
O=C(NCCO)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1,1,0,0,0
CCCNC(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
O=C1Nc2ccccc2/C1=C\c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)o1,0,0,0,0
COc1ccc(-n2cc3c(=O)[nH]nc(-c4ccccc4)c3n2)cc1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5cccc(C(F)(F)F)c5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1,0,0,0,0
N#Cc1nc(NCCc2ccccc2)nc(N2CCNCC2)n1,0,0,1,0
Cc1sc(N)nc1-c1cccs1,0,0,0,0
CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3Br)c3ccccc23)C1,0,0,0,0
O=[N+]1C=C(c2ccccc2)N(O)C2CCCCC21,0,0,0,0
C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@]2(C)c2ccccc2)CCN1c1cc(C(F)F)on1,0,0,0,0
c1coc(CN2CC[C@H]3c4ccccc4CC[C@H]3C2)c1,0,0,0,0
C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C3CC3)cc2)c2ccccc12,0,0,0,0
C#Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
O=C(c1ccc(Cl)nc1)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,0,0,0,0
COc1ccc(C(=O)OCCOc2ccccc2C(C)=O)c(O)c1,0,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2nc(NC2CCCC2)n3Cc2ccccc2)cc1,0,0,0,0
N#Cc1cccc2c(=O)c3cc(-c4ccccc4)cnc3ccc12,0,0,0,0
Cc1ccc(C(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)cc1,0,0,0,0
COCC(=O)N1CCc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
O=c1nc(N/N=C/c2c[nH]c3ccccc23)cn[nH]1,0,1,0,0
COCCNC(=O)C1(C)C=CC(Cc2ccccc2)N1C(=O)c1ccccc1,1,0,0,0
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COc4ccccc4)[C@@H](C2)N(CC2CC2)CC[C@]315,0,0,0,0
CC(C)Oc1ccc(-c2nnc(-c3cncn3C)s2)cc1Cl,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(OCC4CC4(F)F)ncc3F)C2)cc1,0,0,0,0
CC(C)(C)c1cc2cccnc2n1Cc1cccc(Cl)c1,0,0,0,0
CC1OC(OCC2OC(Oc3cc(O)cc4c3C(=O)C(O)(Cc3ccc(O)cc3)O4)C(O)C(O)C2O)C(O)C(O)C1O,0,0,0,0
COc1ccccc1C(=O)Oc1ccccc1C(=O)Nc1ccccc1,0,0,0,0
CCOc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12,0,0,0,0
c1cc2c(cc1-n1cnnn1)OCO2,0,0,0,0
CCCc1[nH]nc2c1C(c1cccc(Br)c1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
Clc1ccc(Nc2c(-c3cccs3)nc3ccc(Cl)cn23)cc1,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3cccnc3)c(=O)n(C)n2)nc1,0,0,0,0
Cc1cc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3ccccc3OC(F)(F)F)n[nH]2)cc1Cl,0,0,0,0
O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)C1c1ccccc1,0,0,0,0
CCN(CC)c1nc2ccccc2c(N)c1-c1ccccc1,0,0,0,0
O=C(c1ccco1)N1CCCC2(CCN(Cc3nccs3)C2)C1,1,0,0,0
C/C=C\C(=O)C1C(C)=CCCC1(C)C,0,0,1,0
O=[N+]([O-])C(C1CCS(=O)(=O)C1)C1CCS(=O)(=O)C1,0,0,0,0
CC(C)(C)NCC(O)CSc1nc(-c2ccc(C(N)=O)s2)cs1,0,0,0,0
CCN(CC)c1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O,1,0,0,0
Cc1cn(C2=CC[C@H]3[C@@H]4CCC5=CC(=O)NCC[C@]5(C)[C@H]4CC[C@]23C)cn1,0,0,0,0
Cc1c(-c2csc(-c3ccccc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,0,0,0,0
CCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,0,0,0,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccccc3F)cn2CCN2CCC2)CC1,0,0,0,0
CCSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1,0,0,0,0
CCOc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,0,0,0,0
CC(=O)c1c(OC(=O)c2ccco2)c2ccccc2n1C,0,0,0,1
COCCNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)N(C)C)[C@@H](O)[C@H]1O,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccccc2C#N)c2ccc(Br)cc2OC12CCOCC2,0,0,0,0
COc1cc2cc(-c3ccc(CN(CCO)Cc4ccccc4)cc3)c(=O)oc2cc1OC,0,0,0,0
COCCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,0,0,0,0
CC1=NC2SC=C(c3ccccc3Cl)N2C(=O)C1,0,0,0,0
CCOc1ccc(Cn2nnc(C(=O)NCCc3ccccc3)c2N)cc1,1,0,0,0
CC(C)(C)OC(=O)N1CCC(C)(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CC1,0,0,0,0
COc1cccc(C=CC(=O)Nc2ccc3c(c2)OCCO3)c1,1,0,0,0
CC(=NNC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1,1,0,0,0
Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(C#N)cc1F,0,0,0,0
O=C1CSC(=S)N1N=Cc1c(F)cccc1F,0,0,0,0
Cc1c(NC2=NC3(CCCCC3)Cc3ccccc32)c(=O)n(C)n1-c1ccccc1,0,0,0,0
c1ccc(Cc2cc3c(c(NCC4CC4)n2)CCNCC3)cc1,0,0,0,0
CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)N(C)C)ccc4o3)CC2)cc(OCC)c1-n1cccc1,0,0,0,0
Brc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1,1,0,0,0
S=c1[nH]c2ccc(-c3cccc(Cl)c3)cc2n1Cc1ccccc1,0,0,0,0
CCc1cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn2c1C,0,0,0,0
O=C(O)c1cc(-c2cccc(Cl)c2)nc2nc(N3CCCCC3)sc12,0,0,0,0
Cn1c(=O)c2c(SCCN3CCOCC3)nc(C3CCCC3)nc2n(C)c1=O,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cc3ccccc3[nH]2)CC1,0,0,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)COc1cc(Cl)ccc1Cl,0,0,0,0
CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2,0,0,0,0
CC(=O)Nc1cccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1,0,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1C,0,0,0,0
CCCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(F)cc3-4)cc2)C1,0,0,0,0
COc1ccccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NC2=NN3C(=NC(c4ccc(Cl)cc4)=CC3c3ccccc3)N2)cc1,0,0,0,0
COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1OS(=O)(=O)c1ccccc1,0,0,0,0
Cc1cccc(CC2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1,0,0,0,0
NCC(=O)NNC(=O)OCC1c2ccccc2-c2ccccc21,0,0,0,0
NC(=O)c1cc(-c2ccc(Oc3ccc(F)cc3)cc2)cc(N(CCc2nn[nH]n2)c2ccccc2)n1,0,0,0,0
O=C(c1ccc(Br)cc1)N1CCCC1,0,0,0,0
c1cc(OCCN2CCNCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1,0,0,0,0
CCOC(=O)c1sc(NC(C)=O)nc1C,0,0,0,0
COc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1,0,0,0,0
CCn1c(C)cc(C(=O)CSc2nnnn2C2CCCC2)c1C,0,1,0,0
CCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1,0,0,0,0
COc1ccc(OC)c(-c2csc(N3CCC(c4ccccc4)CC3)n2)c1,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(C(F)(F)F)c3)CC4)cn2)CC1,0,0,0,0
Cc1cc(O)c(-c2ccc(C3(CN)CC3)cc2)c2c1[nH]c(=O)c1sccc12,0,0,0,0
COc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)OCc1cnc(C)s1)CC2,0,0,0,0
CC1(C)CC(=O)c2sc(N3CCOc4ccc(Br)cc43)nc2C1,0,0,0,0
O=C(/C=C/Sc1ccccc1)c1ccc(Cl)cc1,0,1,0,0
CC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,1,0
Cc1cc(-c2c(F)cc3c(=O)c(Cc4cc(O)ccc4O)cn(C4CC4)c3c2F)cc(C)n1,0,0,0,0
COc1cccc(-n2c(=O)c3c(CN(C)Cc4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1,0,0,0,0
CCN1CCC(n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0,0,0,1
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(OC)c4)nn32)CC1,0,0,1,0
CCOc1ccc(-c2c[n+](=O)c3c(n2O)CCCC3)c(OCC)c1,0,0,0,0
CN(C)C(=O)C1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21,0,0,0,0
CC(C)NC(=O)CCc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
O=C(NCC(F)(F)F)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
COC(=O)Cc1c(C)[nH]c2nc(NCc3ccccc3OC)nn2c1=O,0,0,0,0
Cc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)cc1C,0,0,0,0
CC(O)C1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1,0,0,0,0
O=C1OCCC1=Cc1ccccc1O,0,0,0,0
O=C1CC(N2CCSCC2)C(=O)N1c1cccc(Br)c1,0,0,0,0
Cc1ccc(-c2n[nH]c(=S)n2C)cc1Cl,0,0,0,0
COCC1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1,0,0,0,0
O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(c3ccc(F)cc3)CC2)C(=O)c2ccccc21,0,0,0,0
Nc1nc(NC2CCCCC2)nc(NCCO)c1[N+](=O)[O-],0,0,0,0
CCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1,0,0,0,0
Cc1c(C)n(CCO)c2ncnc(Nc3ccc(F)cc3)c12,0,1,0,0
O=C(c1ccc(Oc2ncccc2[C@H]2CC[C@@](O)(C(F)(F)F)C2)cc1)c1nc2ccccc2[nH]1,0,0,0,0
O=C1CC[N+](=Cc2ccccc2Cl)[N-]1,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)N[C@@H](C)C#N)c12,0,0,0,0
Nc1ccc(CCn2ccnc2)cc1,0,0,0,0
CS(=O)(=O)c1ccc(CN(C(=O)c2ccncc2)c2cc(F)cc(-c3nn[nH]n3)c2)cc1,0,0,0,0
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCCNC1=O,0,0,0,0
Fc1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1,0,0,0,0
Nc1ncnc2c1c(-c1ccc(F)c(O)c1)nn2[C@H]1CCNC1,0,0,0,1
COCC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,1,0,0,0
CC(C)(C)C1CCC(OC(=O)c2ccncc2)CC1,0,0,0,0
Cc1nnc(-c2ccc(-c3c(C(N)=O)c4n(c3C3CC3)CCN(C(=O)NC(C)(C)C)C4)cc2)o1,0,0,0,0
COc1cc(C)c2[nH]ccc2c1C(C)(OC)c1nc2ncc(C#N)cc2[nH]1,0,0,0,0
Cc1ccsc1C(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1,0,0,0,0
N#Cc1ccnc(NC2CCCCC2)n1,0,0,0,0
CCC(CC)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)Cc1ccc(Cl)c(Cl)c1,1,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNC(=O)NC)nc2-c2ccc(C)cc2)c1,0,0,0,0
COc1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1,1,0,0,0
CN(C)c1ccc(C=NN=C2SC(CC(=O)O)C(=O)N2c2ccc(O)cc2)cc1,0,0,0,0
OCc1nnc(-c2ccc(N3CCC(c4noc5ccc(F)cc45)CC3)nn2)o1,0,0,0,0
Cc1ccc2nc(-c3ccncc3)c(Nc3ccccc3)n2c1,0,0,0,0
COc1ccc(Cn2c(C)c(C)c(C#N)c2NC(=O)Nc2cccc(Cl)c2)cc1,1,0,0,0
COc1ccc(N2Cc3cccc(C(=O)Nc4ccc(C(C)C)cc4)c3C2=O)cc1,0,1,0,0
O=C(c1ccc2ccccc2n1)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3NCCC4)ccc2F)CC1,0,0,0,0
CC(C)CCn1c(=O)c2ccccc2n2c(CN3CCCC3)nnc12,0,0,0,0
CCC1(C)Cc2[nH]c(=O)c(C#N)cc2CO1,0,0,0,0
CCOC(=O)C1CC(c2ccccc2)=NNC1=O,0,0,0,0
c1cncc(-c2nc(NC3CCCc4ccccc43)c3ccccc3n2)c1,0,0,0,0
CCCc1nc(C)c2c(CC)nc3ccc(OC)nc3n12,0,0,0,0
NC(=O)C1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)CC1,1,0,0,0
Brc1cccc(-c2nn(-c3ccccc3)c3c2cnc2cc4c(cc23)OCO4)c1,1,0,0,0
Cc1cccc(S(=O)(=O)c2c(N)n(/N=C/c3ccccc3)c3nc4ccccc4nc23)c1,1,0,0,0
CC(=O)Nc1nc(-c2ccc3nccnc3c2)c(-c2ccc(F)c(C)n2)[nH]1,0,0,0,0
O=C1NCN(CC2CCCCC2)C12CCN([C@H]1CCCC[C@H]1c1ccccc1)CC2,0,0,0,0
C#CCNC(=O)c1cc(Nc2cc(C3CC3)[nH]n2)nc(N2CCN(Cc3ccc(S(=O)(=O)F)cc3)CC2)n1,0,0,1,0
C=CC(=O)Nc1cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)cc(C(C)(C)C)c1,0,0,1,0
CCOC(=O)c1ccc(N2C(=O)CC(N3CCN(C(=O)c4ccccc4)CC3)C2=O)cc1,0,0,0,0
O=C1CC[C@@](c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1,0,0,0,0
CC(=O)OC1C(=O)OCC23CCC4(C)OC4C2OC2CC(OC(=O)C=CC=CC(=O)OCCC1C)C3(C)C21CO1,0,0,0,0
NC(=O)c1cc(-c2ccc(OC3CCNCC3)c(Cl)c2)nc2c1[nH]c1cc(N3CCOCC3)ccc12,0,0,0,0
Oc1ccc2c(c1)OCC(N1CCC(O)(c3ccc(F)cc3)CC1)C2O,0,1,0,0
COC(=O)CC1C(C)(C)C(OC(C)=O)C2C(OC(C)=O)C34OC2(O)C1(C)C3CCC1(C)C4=CC(=O)OC1c1ccoc1,1,0,0,0
CN(Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1CCc1ccccn1)c1ccccc1,0,0,0,0
COc1cc(/C=C/c2nc(NCCCN(C)C)c3ccccc3n2)cc(OC)c1OC,0,0,1,0
c1ccc(SCCCCN2CCOCC2)cc1,0,0,0,0
C[C@]12CCC(=O)C(OCc3ccccc3)=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
Fc1cccc(Cl)c1CNCCSc1nnnn1-c1ccccc1,1,0,0,0
C/C(=N\NC(=O)c1ccccc1O)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,1,0,0
Cc1c(-c2cccnc2)nc2cc(F)ccc2c1N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21,0,0,0,0
Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)s2)on1,0,0,0,0
CCOC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12,0,0,0,0
CCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,0,0,0,0
COc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,1,0,0,0
Cc1cc(C)cc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2C)c1,0,0,0,0
CCCCN(CCCC)C(=O)c1nn(-c2ccc(NS(=O)(=O)Cc3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c(C)c1Cl,0,0,0,0
CCOCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(CC)cc1,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(C5(c6ccccc6F)CC5)nc(N)n4)c3c2)cn1,0,0,0,0
Cc1oc(-c2ccccc2)nc1COc1ccc(CC2COC(C)(C(=O)O)OC2)cc1,0,0,0,0
CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)cc3)c2)[C@@H]1C(=O)O,0,0,0,0
COc1cccc(C(=O)Nc2nc(C)cs2)c1,0,1,0,0
CCOCc1nnc(NC(=O)C2CCN(C(=O)C3CC(=O)N(c4ccc(C)cc4)C3)CC2)s1,1,0,0,0
CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C3(c4ccccc4)CCCCC3)c(C(=O)O)c2)nc1,0,0,0,0
COc1ccc(S(=O)(=O)N(Cc2cc(C)on2)[C@H](C)C(=O)NO)cc1,0,0,0,0
Cc1ccccc1NCc1ccccc1O,0,0,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)ccc1OC,0,0,0,0
CC(C)NC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cc1ccc(NC(=O)N2CCCCC2)cc1NC(=O)N1CCCCC1,1,0,0,0
COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1F,0,1,0,0
Oc1c(F)cc(-c2cnccc2C2CCOCC2)cc1F,0,0,0,0
O=C(O)CCCCCCC1C(=O)NC(=O)N1CCC(O)C1CCCCC1,0,0,0,0
N#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0,0,1,0
Fc1ccc(OCCCN2CCN(c3ncccn3)CC2)cc1,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(NCCc2ccccc2)c2sccc23)c1,0,0,0,0
N#CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ncc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
CCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1,0,0,0,0
COc1ccc(Nc2nc(N)nc(CN3CCc4ccccc4C3)n2)cc1,0,0,0,0
Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccccc1,0,0,0,0
O=C(OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1,0,0,0,0
Cn1c(SCc2ccccc2Cl)nc(=O)c2c1NC(=O)CC2c1cc(F)ccc1F,0,0,0,0
CNc1cccc(CCCc2noc(CC(CC(=O)O)c3ccc4c(c3)OCO4)n2)n1,0,0,0,0
COc1ccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccc(C)cc3)c2=O)cc1,0,0,0,0
O=C(Nc1ncccc1O)c1ccc(C(=O)c2ccccc2)cc1,0,1,0,0
Cc1c(Cl)cc(OCCN2CCOCC2)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
C#CCOc1c(Br)cc(C=C2C(=O)ON=C2C)cc1OCC,0,0,0,0
CCOc1cc(CNC(=O)CSc2nnc(-c3ccccc3)[nH]2)cc(OCC)c1OCC,1,0,0,0
CCCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,1,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc(Cl)ccc2OC)c2ccccc2N(C(=O)CS(C)(=O)=O)[C@H]1C,0,0,0,0
Cc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2ccccc2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)NCCc2cn3c(C)csc3n2)cc1,0,0,0,0
CCC(=O)NCCC1=C(SC)C(=O)c2nccc3c2c1nc1ccccc13,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Br)cccc2c1,0,0,0,0
COc1ccc2sc(SCCCCOc3c4ccoc4cc4oc(=O)ccc34)nc2c1,0,0,0,0
COc1ccc(-c2cc(-c3nnc(COC(=O)C4CC4C)o3)c3ccccc3n2)cc1OC,1,0,0,0
COCC1CN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CCO1,0,0,0,0
Cc1nc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)cc(N2CCC(O)CC2)n1,0,0,0,0
CC(c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1)N(C)C,0,0,0,0
COc1ccc2cc(CNCc3ccc(C)cc3)c(-c3ccsc3)nc2c1,0,0,0,0
Fc1cc(Cl)ccc1CN1CCC(NCC23CC4CC(CC(C4)C2)C3)CC1,0,0,0,0
O=c1[nH]c2ncc(F)c(Cl)c2cc1O,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc(C[S+]([O-])Cc3ccc(C)cc3)o2)CC1,0,0,0,0
Cc1ccc(NC2CCCN(C(=O)c3cc(C(C)C)nn3C)C2)cc1C,0,0,0,0
O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccc2)c1O,0,0,1,0
CCN(CC)CCNc1ccc2ncn3c4c(OC)cccc4c(=O)c1c23,0,0,0,0
CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1,0,0,0,1
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(N3CCOCC3)cc1)n2C,0,1,0,0
COCCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0,0,1
CCc1ccc2c(CC(=O)O)c(C(=O)c3cc(C)ccn3)[nH]c2c1,0,0,0,0
C[C@@H]1CCCN1CCc1ccc2nc(C3CC3)ccc2c1,0,0,0,0
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1F,0,0,0,0
COc1ccccc1C1C(C(N)=O)=C(C)N=C2NC(SCc3ccccc3F)=NN21,1,0,0,0
O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccc3ccccc3c2)cc1,0,0,0,0
CC(=O)c1cnc(Nc2nc(C)c3ccccc3n2)nc1C,0,0,0,0
Cc1ccc(S(=O)(=O)NC2=NCN(CCN3CCOCC3)CN2)cc1,0,0,0,0
CCOc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,0,0,0,0
COc1ccc(OCC(O)CN(CC(O)COc2ccc(OC)cc2)c2cccc(O)c2)cc1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Cl)cc3)c2)on1,0,0,0,0
Cc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)c(O)c1,0,1,0,0
O=C1C(=O)N(Cc2ccc(OCCOCCOCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0,0,0,0
CN(C)CCc1c[nH]c2ccc(CC3COC(=O)N3)cc12,0,0,0,0
CCN(C(=O)Oc1ccc(F)cc1)[C@@H]1CN(C(=O)C2CCN(C(=O)C3CCC(=O)NC3)CC2)C[C@H]1c1ccc(F)c(F)c1,0,0,0,0
COCCCOc1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1C(=O)O,0,0,0,0
COc1cc2c(cc1Br)CCN(C(C)=O)C2CC(c1ccccc1)c1ccccc1,0,0,0,0
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1CN(S(=O)(=O)N3CCC3)C1)CC2,0,0,0,0
O=C1c2ccccc2S(=O)(=O)N1CSc1nnnn1C1CCCCC1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)cc1,0,0,0,0
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4ccc(Cl)cc4)c(C)n3n2)c1,1,0,0,0
CCOC(=O)[C@H]1CN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC[C@@H]1c1ccccc1,0,0,0,0
CCCOc1ccc(N2C(=O)CC(N(Cc3ccc(OC)cc3)C(=S)Nc3ccccc3)C2=O)cc1,0,0,0,0
CC(=O)OC(Cn1ccnc1)c1ccccc1,0,0,0,0
c1nc2ccc(-n3cnc4cnc5cnc(-c6ccsc6)cc5c43)cc2[nH]1,0,0,0,0
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)NCCO)cc1,0,0,0,0
Cc1ccc2cc(Nc3ncccc3-c3nc(C)nc(N)n3)ccc2n1,0,0,0,0
CCOC(=O)NN=Cc1ccc(OCCSc2ccc(Cl)cc2)c(OCC)c1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(Cl)cc3)c(F)c2)CC1,0,0,0,0
CCC1CN(C(=O)N2CCC(C(=O)Nc3ccccc3F)CC2)c2ccccc2O1,1,1,0,0
Cc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C)c1,0,0,0,0
Brc1ccc(-c2nnc3sc(CNC4CCCC4)cn23)cc1,1,0,0,0
CCCOC1CCCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)C1,0,1,0,0
N[C@H]1CN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C[C@@H]1c1cc(F)ccc1F,0,0,0,0
CNc1nc2[nH]c(-c3cccc(CNC(=O)CO)c3)cc2c2c1ncn2C,0,0,0,0
CCOc1cccnc1Nc1ccccn1,0,0,0,0
CCOC(=O)COc1ccc(Br)cc1C=Cc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-],1,0,0,0
CCC(C)[C@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@@H](c2nc(-c3ccc4cc(OC)ccc4c3)cs2)[C@H](O)[C@@H]1O,0,0,0,0
CC1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1C(=O)O,0,0,0,0
COc1ccc2occ(/C=N/c3ncn[nH]3)c(=O)c2c1,0,0,0,0
CC(=O)OC1CC2C(C)(C)C=CC(=O)C2(C)C2CCC3(C)C(c4ccoc4)OC(=O)C4OC43C12C,0,0,0,0
CCN(CC)c1nc(-c2cccc(OC)c2O)nc2ccccc12,0,0,0,0
Cc1nnsc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1,0,0,0,0
Cc1cccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)c1,0,0,0,0
N#Cc1ccc(C(F)(c2ccc(C#N)cc2)n2cncn2)cc1,0,0,0,0
O=c1nc(C(F)(F)F)cc(C=Cc2ccccc2C(F)(F)F)[nH]1,0,0,0,0
CCCCCCNC(=O)Nc1cccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)c1,0,0,0,0
CC1CCN(CCOc2ccccc2-c2ccccc2)CC1,0,0,0,0
O=C1NC(=O)C(=Cc2ccccc2OCc2cccc([N+](=O)[O-])c2)N1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCCN(C)C)c(C(=O)O)c2)c1,0,0,0,0
CC(=Nc1ccccc1C)C1C(=O)CSC1=O,0,0,0,0
O=C(c1ccccc1)c1c2c(cc3sc4ccccc4[n+]13)-c1cccc3cccc-2c13,1,0,0,0
CCCN1C(=O)C(NC(C)=O)c2cc(OC)ccc21,0,0,0,0
Cc1[nH]nc(-c2ccc(O)cc2O)c1Oc1ccccc1,0,0,0,0
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCCC4)c(=O)c3c2)c1,0,0,0,0
CC(=O)NC(C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1,0,0,0,0
NC(=O)c1c(SCc2ccccc2Cl)nsc1Nc1ccncc1,0,0,0,0
Cc1c(N(C)c2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)O,0,0,0,0
O=C(Nc1ccc(NC(=O)c2ccco2)nc1)c1cccnc1,0,1,0,0
Clc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1,0,0,0,0
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCCC(Cn2ccnc2)C1,0,0,0,0
CN1CCC(c2cc3c(-c4cccc(NCCN5CCCC5=O)n4)ccnc3[nH]2)CC1,0,0,0,0
CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Br)cc1,0,0,0,0
COc1ccc(Nc2cc(Nc3cc(OC)c(OC)c(OC)c3)ncn2)cc1,0,0,0,0
CCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-],0,0,0,0
Cn1c(=O)c2c(nc(NCc3ccco3)n2C/C=C/c2ccccc2)n(C)c1=O,0,0,0,0
Cn1cc(CN2CC3CC4CC(C3)CC2C4)c(-c2ccc3c(c2)OCCO3)n1,0,0,0,0
CCOc1ccc2[nH]nc(-c3cc(N4CCN(CC)C(=O)C4)ncn3)c2c1,0,0,0,0
COC(=O)c1cc2c3ccccc3[nH]c2c2[nH]ccc12,0,0,0,0
CCN(C)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc21,0,0,0,0
Cn1c(C(=O)c2ccc(Oc3ncccc3-c3ccccc3)cc2)nc2ccccc21,0,0,0,0
CC1(C)[C@H]2CC[C@@H](CCN3[C@@H]4CC[C@H]3CC(n3c(=O)c(C(=O)O)nc5ccccc53)C4)[C@@H]1C2,0,0,0,0
Cc1cccc(-n2c(C=Cc3cn(C)c4ccccc34)nc3ccccc3c2=O)c1,0,0,0,0
O=C1N(Cc2ccccc2)c2ccccc2C1(O)c1c[nH]c2ccccc12,0,0,0,0
O=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(C)cc1,0,0,0,0
Cc1cc(C)nc(Nc2n[nH]c(C)n2)n1,0,0,0,0
CCC1(C(=O)O)NC(c2cccc(OC)c2O)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
Cc1cc(OCCCc2c3n(c4c(-c5c(C)nn(C)c5C)c(Cl)ccc24)CCCN(c2cccc(C(=O)O)c2)C3=O)cc(C)c1Cl,0,0,0,0
COc1ccc2[nH]c3c(N4CC(C)OC(C)C4)ncnc3c2c1,0,0,0,0
Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3nnc(-c4ccc(F)cc4)o3)(CC1)CC2,0,0,0,0
COCCCN(Cc1ccccc1-c1ccc(CN2CCNCC2)cc1)C(C)=O,0,0,0,0
Clc1cccc(C2=Nc3cc(Br)ccc3N=C(c3cccs3)N2)c1,1,0,0,0
CCCC1C(=O)N(Cc2ccccc2)C(=O)CC1C,0,0,0,0
COc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)cc1CN1CCOCC1,0,0,0,0
COc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1,0,0,0,0
COc1cc(/C=C(\C#N)C(=O)Nc2ccc3c(c2)OCCO3)ccc1O,0,1,0,0
Cc1c(Nc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)O,0,0,0,0
CCc1[nH]c2nc(C)nc(-c3cc(OC)c(Cl)cc3Cl)c2c1C#N,0,0,0,0
CN1CCN(C2=Nc3cc(Cl)ccc3Oc3cc(Cl)ccc32)CC1,0,0,0,0
Cc1nn2cnnc2c(C)c1Cc1c(F)cccc1Cl,0,0,0,0
CCOc1cc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)ccc1OC,0,0,0,1
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3cccc(C(F)(F)F)c3F)CC2)C1,0,0,0,0
CC1=C(C(=O)OC(C)C)C(C2CC=CCC2)NC(=O)N1,0,0,0,0
S=C1CCc2cc(-c3cccnc3)cc3c2N1CC3,0,0,0,0
COc1cc(-c2ccc3ncc(C#N)c(N4CCC(CN5CCCC5)CC4)c3c2)cc(Cl)c1O,0,0,0,0
COCCNS(=O)(=O)c1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
N#CC1(NC(=O)CN(Cc2ccccc2)C(=O)Cc2ccccc2)CC1,0,0,1,0
C=CC(=O)Nc1ccc2c(c1)nc1c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)[nH]n12,0,0,0,0
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)cc(Nc4cccc(-n5cccn5)c4)nc23)[nH]1,0,0,0,0
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1,0,0,0,0
CCNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C,0,0,0,0
Cc1ccc(C)c(OCc2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)c1,0,1,0,0
CC1(O)CC(O)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)O)cc3-4)cc2)C1,0,0,0,0
O=C1C2CCC=CC2C(c2cccc(Br)c2)N1Cc1ccccc1,0,0,0,0
COc1ccccc1Nc1nc(NCCO)c2ccccc2n1,0,0,0,0
NC(Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2)o1,1,0,0,0
Cc1ccc(S(=O)(=O)N2CCC(n3nnc4cc(C)ccc43)CC2)cc1,0,0,0,0
CN(C)C(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
C[C@@H]1CCCN1CCc1ccc(-c2ccc(CC(=O)O)cc2)cc1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(OC)cc1,0,0,0,0
COc1ccc(CCNc2cc(-c3cn[nH]c3)nc(OC)n2)cc1,0,0,0,0
CC(C)(C)OC(=O)n1c(-c2ccc(CCC#N)cc2)cc2ccccc21,0,0,0,0
Cc1nn2c(-c3ccc(Cl)cc3Cl)nnc2s1,0,0,0,0
Cc1onc(-c2ccccc2)c1-c1ccccc1,0,0,0,0
CCOc1ccc2c(c1)N=C(c1cccs1)NC(c1ccc(F)cc1)=N2,1,0,0,0
C=CCNc1nc(-c2cccc(OC)c2O)nc2ccccc12,0,0,0,0
COc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1,0,0,0,0
NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCCC3,0,0,0,0
COCc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)c(C)[nH]1,0,0,0,0
CC(=O)N1CCc2c(c(Nc3cccc(-c4cn[nH]c4)c3)nn2CC2CC2)C1,0,0,0,0
CN1CCc2cc(Cl)c(O)cc2[C@@H](c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)C1,0,0,0,0
O=C1CN(C(=O)c2cc(NC(=O)c3cc(-c4ncccc4F)c(Cl)cc3Cl)n(-c3ccccc3)n2)CCN1,0,0,0,0
c1ccc(Cn2nnnc2CN2CCOCC2)cc1,0,0,0,0
C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21,0,0,1,0
COCCn1c(C)cc(C=C2NC(=O)N(Cc3ccc(C)cc3)C2=O)c1C,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3cccc(Cl)c3Cl)CC2)C1,0,0,0,0
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3cccnc3C)ccc21,0,0,0,0
Cc1nc2cc(-c3cc(O[C@@H](C)[C@@H]4CNC(=O)C4)c4cccnc4c3)ccc2n1C,0,0,0,0
Cn1cc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c2ccccc21,0,0,0,0
CCOc1cc(C2NC(=O)NC(C)=C2C(=O)OC(C)CC)cc(Br)c1O,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2cccc(F)c2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
CCC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C,0,0,0,0
CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c([S+]([O-])C(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
COc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1OC,1,0,0,0
Cc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C,0,0,0,0
CN(C)CCOc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
C[C@@H]1[C@H]2CN(C(=O)CF)C[C@H]2C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnc(N)c(F)c3)cc12,0,0,0,0
CC1(C)C(C(=O)c2cn(CCN3CCOCC3)c3cc(OCc4ccccc4)ccc23)C1(C)C,0,0,0,0
CCN(C(=O)OC(C)(C)C)C(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
COC(=O)c1ccccc1C(=O)N1CCCC(C(=O)c2cc(F)ccc2F)C1,1,0,0,0
Cc1nn(Cc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1Br,1,0,0,0
CCOc1c(Cl)cc(Cl)cc1CNCCSc1nnnn1C,0,0,0,0
CN(C[C@@H](CCN1CCC(Cc2ccccc2)CC1)c1cccc(Cl)c1)S(=O)(=O)c1ccccc1,0,0,0,0
Cc1cc(OC2CC2)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(=O)CO)cc2)C1,0,0,0,0
COC(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1,0,0,0,0
C=CCc1c(C)[nH]c(SCc2ccccc2)nc1=O,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3-c3cncc(N)n3)cc2F)cn1,0,0,0,0
CCC1CN(S(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c2cc(Cl)ccc2O1,1,0,0,0
C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(-c2ccccc2)cc1,0,0,0,0
c1cncc(-c2ccnc3ncnn23)c1,0,0,0,0
COCC(C)N(C)[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
O=C(CCN1C(=O)/C(=C/c2cccc(Br)c2)SC1=S)NNC(=O)c1cccnc1,1,0,0,0
CSc1nc(O)cc(=O)n1-c1ccc(F)cc1,0,0,0,0
Cc1[nH]c2ccccc2c1/C=N/NC(=O)Cn1nnc(-c2ccccc2)n1,1,0,0,0
COC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1,0,0,0,0
Cc1nc2ccccn2c(=O)c1CCN1CCC(C(=O)c2ccc(F)cc2)CC1,0,0,0,1
CCCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1,0,0,0,0
CC(=O)NC[C@H](NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)C1CCCCC1,0,0,1,0
Cn1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(-c2ccccc2)n1,0,0,1,0
COCCn1c(C2CCCCC2)nc2sc3ccccc3c(=O)c2c1=O,0,0,0,0
COC[C@H]1OC(OCc2ccc3ccccc3c2)[C@H](NCCN)C(OCc2cccc3ccccc23)[C@@H]1O,0,0,0,0
O=C1[C@@H](NS(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc2c(c1)CNCC2,0,0,0,0
NC(=NCCc1ccccc1)NS(=O)(=O)c1ccccc1,0,0,0,0
O=C(O)CCNC(=O)CCCn1nnc2ccccc2c1=O,0,0,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccccc2OC(F)(F)F)C3)c1C,0,0,1,0
O=C1NS(=O)(=O)Nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0,0,0,0
CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1ccc3ccccc3n1)c(=O)n2C,0,0,0,0
Clc1ccccc1OCCCCn1ccnc1,1,0,0,0
O=C(N/N=C/c1ccccc1)c1c(O)c2ccccc2[nH]c1=O,1,0,0,0
COc1cccc2c1ncc1c(=O)n(-c3ccccc3Cl)c(=O)n(C3CCC(C)CC3)c12,0,0,0,0
Cn1c(=O)c2c(-c3ccccc3)n(N3CCOCC3)cc2n(C)c1=O,0,0,0,0
CC(Sc1nnc(COc2ccccc2)n1Cc1ccccc1)C(=O)O,0,0,0,0
CCN(CC)C(=O)c1sc2[nH]c(-c3ccncc3)nc(=O)c2c1C,0,0,0,0
CC(=O)c1ccc(OC(C)C)c(CC2C(=O)NC(=S)NC2=O)c1,0,0,0,0
CN(C)C(=O)c1ccc(-n2cnc3ccccc3c2=O)cc1,0,0,0,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3F)cnc2n1,0,0,0,0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Br)ccc2N1,1,0,0,0
COc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1,0,0,0,0
Cc1cc2c(cc1C)CSC(c1ccc3ccccc3c1O)SC2,1,0,0,0
O=C1N/C(=C\c2ccc(CN3CCCCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1,0,0,0,0
NS(=O)(=O)c1ccc(N2N=C(c3ccc(Br)cc3)CC2c2ccc(F)cc2)cc1,1,0,0,0
O=C(Nc1ccccc1)c1cnc2ccccc2n1,0,1,0,0
Cc1nc2ccccn2c1C(=O)Nc1ccc(Cl)cc1,0,1,0,0
CCc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1,0,0,0,0
CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)c([N+](=O)[O-])c1,1,0,0,0
CCOC(=O)CN(C(=O)COC(=O)C1(c2ccccc2)CC1)c1ccc(F)cc1,1,0,0,0
O=C(Cc1c[nH]c2ccccc12)NCc1ccc(Cl)cc1Cl,0,1,0,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](OCC(=O)NC)[C@H](C)[C@@H](O)[C@]1(C)O,0,0,0,0
CC(C)c1cc(O)c(-c2ccccc2)c(=O)n1-c1ccc(Cl)cc1,0,0,0,0
O=C(c1ccc(Br)cc1)N1CCN(c2ncccn2)CC1,0,0,0,0
Cc1ncc(C)n2nc(CCc3cnc(-c4cncs4)[nH]3)nc12,0,0,0,0
Oc1ccccc1C1=NN(c2ccccc2)C(c2ccccc2)C1,0,0,0,0
O=C(c1ccccc1-c1ccccc1)N1CC2CN(c3nccc(-c4ccccc4)n3)C2C1,0,0,0,0
CN(C)C(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1,1,0,0,0
O=C(c1cccc2ccccc12)N1Cc2ccccc2CC1COc1ccc(-c2ccccc2)cc1,0,0,0,0
CS(=O)(=O)N1CCN=C1SCc1ccc(Br)cc1,0,0,0,0
COc1ccc(-c2[nH]ncc2CN2CCN(Cc3cccs3)CC2)c(F)c1,0,0,0,0
CCN(CC)CCOc1cc(-c2nc(SCC(=O)NC)nc3[nH]cc(C#N)c23)c(Cl)cc1Cl,0,0,0,0
CCCOc1ccc(Oc2ccc(-c3ccc(C(C)NC(=O)OCC)cc3)cn2)cc1,0,0,0,0
O=C(c1ccco1)N1CCN(C(=O)c2ccc(COc3ccc(F)cc3)o2)CC1,0,0,0,0
Cc1c(CCC(=O)O)c(=O)n2c([nH]c3ccccc32)c1C#N,0,0,0,0
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1CC,0,0,0,0
CC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
CN1C(=O)OC2(C)CCc3ccccc3C12C,0,0,0,0
CCN(c1ccc(OC)cc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC,0,0,0,0
CCOc1c(Br)cc(/C=C2\C(=O)N(CCC#N)N=C2C)cc1OC,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2cccc(Br)c2)C1c1ccccc1Cl,0,0,0,0
CCc1ccc(-n2c(-c3ccccc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1,0,0,0,0
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ncc(C(F)(F)F)cn3)CC1)C(=O)C2,0,0,0,0
CS(=O)(=O)c1ccc(Nc2nn(C3(CC#N)CCCCC3)cc2C(N)=O)cc1,0,0,0,0
COc1cc(OC)c(NC(=O)C(C)n2c(=O)cc(-c3ccccc3)c3c(C)nn(C)c32)cc1Cl,1,0,0,0
CC(=O)N1CCN(c2cccc3c2ccn3-c2ccnc(NC3CCC(CN4CC[C@@H](O)C4)CC3)n2)CC1,0,0,0,0
CC(Cn1ccnc1)Cn1c(=O)[nH]c2cc(Cl)ccc2c1=O,0,0,0,0
CC1C2=C3C(CC4C(=O)N(c5ccccc5)C(=O)C4C3C3(Cc4ccccc4)C(=NCCc4c[nH]c5ccccc45)OC(=O)N3C2=O)C2C(=O)N(c3ccccc3)C(=O)C12,1,0,0,0
COc1nn2cc(-c3cccc(Cl)c3)nc2s1,0,0,0,0
COc1cc(C(O)CN2CCN(CCc3ccc4c(c3C)COC4=O)CC2)ncc1C#N,0,0,0,0
CCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
CC1(C)Cc2c(sc3nc4n(-c5ccccc5)cnn4c(=O)c23)CO1,0,0,0,0
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)N(C)C3CCCCC3)cc2)CC1,1,0,0,0
CC[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)C(C)C)C2CC2)C1=O,0,0,0,0
COc1ccc(CCNC(=O)C(=O)NCC2CCCN2S(=O)(=O)c2cccs2)cc1OC,1,0,0,0
COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc4c(cc23)OCO4)cc1,0,0,0,0
CC(C)CC(=O)Nc1ncc([N+](=O)[O-])s1,0,0,0,0
Cc1cc(S(=O)(=O)N2CCOCC2)c(C)s1,0,0,0,0
CC(=NNC(=S)N1CCCCCC1)c1cccc2cccnc12,0,0,0,0
CCC[C@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O,0,0,0,0
CC(=O)c1oc2ccccc2c1NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1,1,0,0,0
Cc1ccc(S(=O)(=O)NCCc2cccs2)cc1,0,0,0,0
Cn1c(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,0,0,0,0
COC1CC(=O)C23C(=O)NC(CC(C)C)C2C(C)C(C)=CC3C=C(C)CCC(O)C1O,0,0,0,0
CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)nc2n1,0,0,0,0
Cc1cccc(C2C3C=CCCC3(C)C(=O)N2Cc2ccccc2)c1,0,0,0,0
c1ccc(C2(c3cc(OCc4ccc5ccccc5n4)ccc3OCc3ccc4ccccc4n3)CCCCC2)cc1,0,0,0,0
COC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC,1,0,0,0
CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
FC(F)(F)c1ccc(C2=Nc3ccccc3N=C(c3cccs3)N2)cc1,0,0,0,0
CCCc1cccc(-c2cc(NC(=O)C3CCNC(=O)CC3)nn2-c2ccccc2)c1,0,0,0,0
COc1cc(CCCN2C(=S)NC[C@@H]2Cc2ccccc2)cc(OC)c1OC,0,0,0,0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCO3)cc1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)CCS3)CC1,1,0,0,0
O=C(O)C(Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1,0,0,0,0
Cc1ccc(-c2cccc3cc(S(=O)(=O)Nc4ncns4)ccc23)c(Cl)c1,0,0,0,0
Clc1cccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)c1,0,0,0,0
COc1ccc(C(=O)N(CCC2CCN(Cc3ccccc3)CC2)c2ccccc2)cc1,0,0,0,0
CCn1c(-c2csc3ccccc23)n[nH]c1=S,1,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2ccccc2)n1,0,0,0,0
O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F,0,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1,0,0,0,0
CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C(=O)OC)c1ccccc1,0,0,0,0
COC1C(C)=C(C)C(=O)N1Cc1ccc(F)cc1,0,0,0,0
CC(C)n1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(CCCCC(F)(F)F)cc3)(C(F)(F)F)C2)n1,0,0,0,0
FC(F)(F)c1cc(CO[C@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(NCc4ccc(N5CCC(CO)CC5)cc4)nc23)[nH]1,0,0,0,0
CC(C)NCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
N#Cc1c(-c2ccccc2Cl)cc(-c2ccccc2)[nH]c1=S,0,0,0,0
Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)ccc1[N+](=O)[O-],0,1,0,0
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1C,0,0,0,0
Fc1ccc(C=NNC(=S)Nc2ccc(Cl)cc2)cc1F,0,0,0,0
c1coc(-c2nnc3sc(Cc4cccs4)nn23)c1,0,0,0,1
COC(=O)C(CCCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0,0,0
COc1ccc2c(c1)CCN(C(C)=O)C2CC(c1ccccc1)c1ccccc1,0,0,0,0
CN(C)CC1CCC(Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
COc1ccc(-c2noc(Cc3ccccc3OC)n2)cc1,0,0,0,0
CN(C)c1ccc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)NC2=O)cc1,0,0,0,0
Cc1cc(N2CCCC2)c(C)cc1C=O,0,0,0,0
COCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
CCOCCCNC(=O)c1c(-c2ccccc2)noc1C,0,0,0,0
COc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,0,0,0,0
CCCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0,0,0
CCOC(=O)CSc1nc2sccc2c(=O)[nH]1,0,0,0,0
O=C1CN(C(=O)C=Cc2ccco2)c2ccccc2N1,0,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5F)cc4)nn32)CC1,0,0,1,0
Clc1ccc2c(c1)C(N1CCNCC1)=Nc1ccccc1O2,0,0,0,0
CCOC(=O)CC1=Nc2cc(C)c(C)cc2NC(=O)C1,0,0,0,0
CC(C)Cn1cnc2cc3c(cc21)C1CNCC3C1,0,0,0,0
Cc1ccc(F)c(NC(=S)Nc2cccc3ccccc23)c1,0,0,0,1
C[C@]12CCC(=O)C=C1C[C@@H](CCCc1ccc(OCCC(=O)O)cc1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0,0,0,0
COc1cc(OC2CC(OC)C2)cc(-c2ccc3c(c2)CC[C@H](CCc2nn[nH]n2)O3)c1F,0,0,0,0
C[C@]12C=CC(=O)C=C1C=C(Cc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
Cc1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1,1,0,0,0
CC(C)(C)c1ccccc1N1CCN(C(=O)C(=O)C2NC(=O)NC2=O)CC1,0,0,0,0
Cc1ccnc(Nc2cccc(-c3cccc(CCN)c3)n2)c1,0,0,0,0
CS(=O)(=O)c1cccc(Nc2nccc(-c3sc(N4CCOCC4)nc3-c3cccc(NS(=O)(=O)c4c(F)cccc4F)c3)n2)c1,0,0,0,0
Cc1ccccc1COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCn3ccnc3)C2c2ccco2)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NCCCCc2ccccc2CCNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O,0,0,0,0
O=C(CSc1ccccn1)Nc1cccc2ccccc12,0,0,0,1
CC(=O)N1CCN=C1SCc1cccc(F)c1,0,0,0,0
O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1,0,1,0,0
Oc1cnc2c(NCc3nnc4ccc(-c5ccccc5)nn34)ccnc2c1,0,0,0,0
Clc1ccccc1OCCN1CCCCC1,0,0,0,0
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)c(C#N)c1C,1,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCCC(NC(=O)OC(C)(C)C)C6)cc5c4)n3c2)cn1,0,0,0,0
Cc1cc(C)cc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1,0,0,0,0
CN(Cc1ccc(-c2ccc(CN(C)C3CCCCC3)cc2)cc1)C1CCCCC1,0,0,0,0
O=C(c1nn(CCN2CCOCC2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
O=C(O)CC1(O)C(=O)Nc2ccccc21,0,0,1,0
O=C(O)c1ccc2c(c1)C(=O)OC2=O,0,0,1,0
CCn1cc(/C=c2/sc3n(c2=O)C2c4ccccc4OC(C)(N=3)C2C(=O)OC)c(C)n1,0,0,0,0
c1cc2c(cc1-c1n[nH]cc1CN1CC3CCC1C3)OCO2,0,0,0,0
Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1,0,0,0,0
O[C@H](c1ccc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(C(F)(F)F)c2)cc1)C(F)F,0,0,0,0
COc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
FC(F)(F)c1cnc(N2CCSCC2)c(Cl)c1,0,0,0,0
CCCc1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1[C@@H](O)CC1(CCC1)C2,0,0,0,0
O=C(NCc1ccco1)c1cc(-c2cccs2)on1,0,1,0,0
CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1CCCOC,0,0,0,0
COc1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1O,0,1,0,0
COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)C(C(=O)NCC2CCCO2)c2ccco2)cc1,0,1,0,0
CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3c(cc2C#N)C(=O)CCC3)c1,1,0,0,0
O=C(c1n[nH]c2c1CCN(C1COC1)C2)N1CCC(c2cccc(F)c2Cl)CC1,0,0,0,0
CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C[C@@H](N)S,0,0,0,0
CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](/C=C/C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](O)[C@H]1O,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@H]2c2nc(-c3cccc(Cl)c3C)n[nH]2)c1,0,0,0,0
COc1ccc(CCN(C(=O)C(F)(F)F)C(C(=O)NC2CCCC2)c2cccs2)cc1OC,1,0,0,0
CCN(CC)CCNC(=O)c1ccc(Nc2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)c(OC)c1,0,1,0,0
C[C@@H](C#N)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(C(F)F)c12,0,0,0,0
O=C(c1ccccc1Br)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,1,0,0,0
CCn1c(NC2CCCC2)nc2c(-c3cccc(C(=O)OC)c3)csc2c1=O,0,0,0,0
Cc1cnc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1,0,0,0,0
O=C(Oc1ccc2c(c1)OC(=Cc1ccncc1)C2=O)c1cccs1,0,0,0,0
CCN(Cc1nc(=O)c2ccccc2[nH]1)Cc1nc(=O)c2cc(OC)c(OC)cc2[nH]1,1,0,0,0
Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1ccc(CCCC2CCN(CC3CC3)CC2)cc1,0,0,0,0
CCOc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CCC2)n1,0,0,0,0
C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1,0,0,1,0
Cc1ccccc1C(O)(c1ccccc1C)[C@H]1CN2CCC1CC2,0,0,0,0
C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)c(OC)c2)cc1OCC,1,0,0,0
CN(C)CCSc1nc(C(C)(C)C)cs1,0,0,0,0
COCCn1c(-c2ccccc2F)n[nH]c1=S,0,0,0,0
CN1CCN(c2ccc([N+](=O)[O-])c(Oc3ccccc3)c2)CC1,0,0,0,0
O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1,0,0,0,0
Cc1c(NC2(C)CC2)nc(C2CC2)nc1N1CCCCCC1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1,0,0,0,0
Nc1cc(-c2cc(OC(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1,0,0,0,0
CSc1nn2cc(-c3nc4c(OCC5CC5)cccc4o3)nc2s1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(OCC4(C)CC4)ncc3F)C2)cc1,0,0,0,0
O=C(c1ccc(OCc2ccc(CN3CCCCC3)cc2)cc1)C1CC1,0,0,0,0
CN(C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1cccc(Cl)c1,1,0,0,0
O=S(=O)(c1cccc(-c2nnc(-c3ccc(Br)cc3)o2)c1)N1CCCCCC1,0,0,0,0
CCOc1ccc(/C=C/C2=Cc3c(sc(NC(=O)CSc4n[nH]c(N)n4)c3C#N)C(C)(C)C2)cc1,0,1,0,0
CCOC(=O)C1CCN(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1,0,0,0,0
COCCOc1cc2c(N3CCN(C(=S)NCc4ccc5c(c4)OCO5)CC3)ncnc2cc1OC,0,0,0,0
O=c1c(-c2nn[nH]n2)coc2ccc(Cl)cc12,0,0,0,0
O=C(O)c1ccnc(-c2cn(C3CCCN(C(=O)c4ccccc4)C3)nn2)c1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](NC(=O)[C@H](N)CCCN=C(N)N)CSSC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O,0,0,0,0
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,0,0,0,0
CC(=O)c1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1,0,0,0,0
CCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O,0,0,0,0
O=Cc1cc(-c2cccnc2)cc(C(F)(F)F)c1O,0,0,0,0
N#Cc1nc(-c2cccs2)oc1NCc1ccco1,0,0,0,0
Cc1cc(C)nc(N=C2NC(=O)CC(C(=O)O)N2c2ccc(C)c(C)c2)n1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(NC(=O)CN(C)C)CC1,0,0,0,0
Cl.O=C([C@@H]1CCCN1)N1CCCC1P1(=O)Oc2ccccc2-c2ccccc2O1,0,0,1,0
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1cc(F)c(-c2cnn(C)c2)cc1F,0,0,0,0
N#Cc1cnc2cc(OCCCN3CCOCC3)c(OCCCN3CCOCC3)cc2c1Nc1ccc(Cl)cc1Cl,0,0,0,0
CC1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)CC1,1,0,0,0
CCCCNC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccc(OC)cc1,0,0,0,0
COc1ccc(N2CCC(CNC(=S)Nc3ccc(C)cc3C)C2)cc1,0,0,0,0
CC[C@H](C)[C@H](N)C(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,0,0,0,0
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)/N=C(/c2ccccc2)N2CCOCC2)c1,0,0,0,0
COc1cnc2c(NCc3nnc4ccc(-c5ccc(F)c(F)c5)nn34)ccnc2c1,0,0,0,0
COc1cc(C(=S)N2CCCC2)cc(Cl)c1O,0,0,0,0
Cn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
C=CCC1(CC=C)CCCN1C(=O)CC1C(=O)NCCN1Cc1cc(OC)cc(OC)c1,1,0,0,0
COc1cc(CN(C(=O)c2ccc(OC(C)C)cc2)c2ccccn2)cc(OC)c1OC,1,0,0,0
C=CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC=C)ccc5n5c4c1n2C1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,0,0,0,0
Cc1ccccc1N/N=C/c1c(C)nc2ccccn12,0,1,0,0
CN(C)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cc1,1,0,0,0
CCC(c1ccc2c(c1)CCO2)N(CC)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1,0,0,0,0
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(Cl)ccc3F)C2)nc(C)c1F,0,0,0,0
O=C(CNC(=S)NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1,1,0,0,0
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccc(OC)cc4)c3C2=O)CC1,1,0,0,0
CC1=CC(=O)C=C(C)C1=NOc1ccccc1[N+](=O)[O-],1,0,0,0
CCOC(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
COc1cc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)ccc1O,1,0,0,0
COc1cc(S(=O)(=O)c2ccc(C(F)(F)F)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
COc1cc2c(cc1OC(F)F)ncc1c2c(-c2ccc(C#N)cc2)nn1C,0,0,0,0
O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2,0,1,0,0
Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2[nH]1,0,0,0,1
Cn1c(-c2ccccc2)c(C(=O)CC#N)c2ccccc21,0,0,0,0
COc1ccc(CNc2nc3c(-c4cccc(C)c4)nnn3c3ccccc23)cc1,0,0,0,0
C#CCn1c(NN(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1c(F)cccc1F)CC2,0,0,0,0
Cn1c(-c2cccc3ccccc23)n[nH]c1=S,0,0,0,0
N#C[C@H]1CN(C(=O)OC2CCOC2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CCC(O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1,0,0,0,0
Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)O)ccc1OCCCCc1ccc2c(n1)NCCC2,0,0,0,0
O=C(C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1)N1CCc2ccccc21,1,0,0,0
NC(=O)COc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1,0,1,0,0
Br.c1ccc(-c2cc3n(c2)CCc2ccccc2-3)cc1,0,1,0,0
c1ccc(-c2cc(-c3ccccc3)on2)cc1,0,1,0,0
CC(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)C)c1O,0,0,0,0
O=C1NC(=O)c2c1c1ncccc1c1[nH]c3ccccc3c21,0,0,0,0
Ic1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
O=C1CN(C(=O)CCN2CCOCC2)C(c2ccccc2)c2cc(Br)ccc2N1,0,0,0,0
CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)C2c2ccco2)cc1,0,0,0,0
NC(=O)CC(N)c1nn[nH]n1,0,0,0,0
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F,1,0,0,0
COc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1,0,0,0,0
O=C(c1ccc(F)c([N+](=O)[O-])c1)N1CC2CC(C1)c1cccc(=O)n1C2,0,0,0,0
CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3c(c2)OCCO3)CC1,1,0,0,0
CC(=O)N1CCN=C1SCc1ccccc1Cl,0,0,0,0
CCCc1cc(Nc2ccccc2OCC)n2ncnc2n1,0,0,0,0
CC(=O)N1CCC(c2nn(C)cc2CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)CC1,0,0,1,0
O=C(O)COc1ccc(F)cc1C1CCCCC1,0,0,0,0
CCOC(=O)C(Sc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)c1ccccc1,1,0,0,0
CSc1nc(N(C)C)c2ccccc2n1,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4C)ncn3)c2c1,0,0,0,0
O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1,1,0,0,0
CN(C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1cccc([N+](=O)[O-])c1)CCC2)C1CCS(=O)(=O)C1,1,0,0,0
COc1ccc(Nc2cc(N3CCCC(C(=O)Nc4ccc5c(c4)C(=O)NC5=O)C3)nn3ccnc23)nc1OC,0,0,0,0
CCN1CCc2nc(SCC(=O)Nc3ccc(OC)cc3)c(C#N)cc2C1,1,0,0,0
CC(C)Nc1cc(-n2ncc3cnc(N)nc32)ncc1C(=O)NC[C@H](F)C(C)(C)O,0,0,0,0
Cc1cccc(NC(=O)c2ccc(COc3ccccc3)o2)n1,0,1,0,0
CC(=O)/C(=N\Nc1cccc(C)c1)C(=S)Nc1ccccc1,0,0,0,0
CCOC(=O)C(C)n1nc(/C=C/c2ccc(OC)cc2)ccc1=O,0,0,0,0
COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12,0,0,0,0
CCCc1nc(C)c2c(N(S(C)(=O)=O)S(C)(=O)=O)nc3ccc(OC)nc3n12,0,0,0,0
CCOC(=O)c1ccc(NC(=O)N2CCOc3ccccc32)cc1,1,0,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(Cl)ccc2O)cc1,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(Cl)cc3F)cncc21,0,0,0,0
O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CCC(C(=O)O)CC2)c2ccccn12,0,0,0,0
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3)cc2N)cc1,0,0,0,1
NC(=O)c1[nH]n(-c2cccnc2)c2c1ccc1nncc12,0,0,0,0
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1,1,0,0,0
CCCC/C=C/c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1,0,0,0,0
CCOc1ccccc1C=Cc1onc(C)c1S(=O)(=O)N1CCC(C(=O)N2CCCCCC2)CC1,1,0,0,0
Cc1ccc(-n2c(O)c(C=NCc3ccccn3)c3ccccc3c2=O)cc1,0,0,0,0
COC(=O)c1ccc(COC(=O)C(CCSC)NC(=O)COc2ccccc2)cc1,1,0,0,0
CCc1nc(NCCO)c(C#N)c2c1CCCC2,0,0,0,0
CC1=C(N2CCC3(CCN(C[C@H](O)c4cc5c(cc4C)Cn4nnnc4-5)CC3)C2=O)COC1=O,0,0,0,0
CCC(NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(N)=O,0,0,0,0
O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)CCS2)N1CCN(c2ccccc2)CC1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(I)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
C=CCn1c(SCCNC(C)=O)nc2cc(-c3ccccc3)sc2c1=O,0,0,0,0
COc1ccc2c(c1)CCN(C)CCCc1ccccc1C2,0,0,0,0
O=CN1CCC(=O)N(Cc2ccccc2)c2ccccc21,0,0,0,0
C[C@@H]1[C@@H]2Cc3c(C(=O)O)n[nH]c3[C@H]12,0,0,0,0
CC(C)C[C@@H](c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(C)(C)CNC(=O)CC(F)(F)F,0,0,0,0
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Br,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(Cl)c(Cl)c3)cncc21,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
CCn1nc(C2CC2)c(Cl)c1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(N3CC(N(C)C)C3)c2C1,0,0,0,0
O=C1COc2ccc(C3(O)c4ccccc4C(=O)N3Cc3cccc(I)c3)cc2N1,0,0,0,0
COCc1cc(C=NNC(=O)COc2ccc(Cl)cc2)ccc1OC,1,0,0,0
Oc1ccc(-c2c(Cl)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,0,0,0,0
CN(C)c1ccc(-c2nc(N(C)C)c3ccccc3n2)cc1,1,0,0,0
CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2ccco2)cc1,0,0,0,0
c1ccc(CCN2CCC3(CCc4ccccc43)CC2)cc1,0,0,0,0
CN1c2ccc(NC(=O)CCCC(=O)NO)cc2C(=O)N2CCc3c([nH]c4ccc(O)cc34)C21,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1)C(F)(F)F,0,0,0,0
COc1cc2c(cc1OC)[C@H](C[C@H](O)c1ccc(Cl)cc1)N(C)CC2,0,0,0,1
CCOC(=O)C1=C(COC(=O)COc2ccc(C#N)cc2)NC(=O)NC1C,0,0,0,0
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(F)cc3)[nH]c2c1,0,0,0,0
CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(O)cc4)oc3c2)[C@H]1C,0,0,0,0
CCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
O=C1Nc2c(Cl)cc(-c3ccccn3)cc2C2(CCCCC2)N1,0,0,0,0
CCCc1nc2sc3c(c2c(=O)n1N)CCC3,0,0,0,0
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ncccn5)CC4)cc32)cc1,1,0,0,0
S=P(c1ccc(N2CCOCC2)cc1N1CCOCC1)(N1CCOCC1)N1CCOCC1,0,0,0,0
O=C1NC(=O)c2cc(Nc3ccc(F)cc3)c(Nc3ccc(F)cc3)cc21,0,0,0,0
CCOC(=O)N1CCN(c2c(NCCN3CCN(Cc4ccccc4)CC3)c(=O)c2=O)CC1,1,0,0,0
COc1cc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc(OC)c1,0,0,0,0
CC(=O)Nc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1,0,0,0,0
CC1C(c2ccc(F)cc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C,0,0,0,0
CC(C)n1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)c4ccccc4)cc3)cc2)cc1)C(=O)O,0,0,0,0
C=CCOc1ccc(CNCc2cccnc2)cc1,0,0,0,0
CC(=O)c1sc2nc(-c3ccccc3)cc(C)c2c1N,0,0,0,0
Cc1c(N=Cc2ccncc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1)C1CCCO1,1,0,0,0
Cc1cc(C)cc(NC(=S)Nc2cccc3ccccc23)c1,0,1,0,0
COc1cc(CN2C(=O)C(NC(=O)c3ccco3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc(OC)c1,1,0,0,0
CCC1CN(C(=O)NCc2ccc(C)cc2)c2ccccc2O1,1,0,0,0
CCOP(=O)(OCC)C(Nc1ccccc1)c1cc(OC)ccc1OC,1,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(CCC(=O)O)cc2)c(C(F)(F)F)n1,0,0,0,0
CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccc5ccccc5c4)cc3c2c1COC,0,0,0,1
CC(c1ccccc1)(c1ccccc1)[S+]([O-])CCc1c(CO)oc2c(OCC(=O)O)cccc12,0,0,0,0
Cc1[nH]n(C2=NCCS2)c(=O)c1N=Nc1ccccc1,0,0,0,0
C[C@@H]1N=C(c2cnsn2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,0,0,0,0
CC(Nc1cc(C(=O)c2ccccc2)ccc1N)=C1C(=O)CC(C)(C)CC1=O,0,0,0,0
Brc1cc2c(cc1Br)Oc1c(Br)c(Br)cc(Br)c1O2,0,0,0,0
CC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,0,0,0,0
COc1cccc2[nH]c(C(=O)NC(CC(C)C)C(=O)NC(CC3CCNC3=O)C(=O)c3nc4ccccc4s3)cc12,0,0,1,0
O=C(c1cc(Br)ccc1Cl)N1CCCC1,0,0,0,0
COc1cc(C(=O)N2CC[C@H]2c2nc(-c3ccccc3OC(F)(F)F)n[nH]2)c(-n2nccn2)cc1Cl,0,0,0,0
COCCN(Cc1ccccc1)C(=O)c1cccc(S(=O)(=O)N(C)c2c(C)n(C)n(-c3ccccc3)c2=O)c1,1,0,0,0
Cc1ccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)cc1,0,0,1,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1,0,0,0,0
COC1O[C@@H](c2ccc(Cl)c(Cc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
COc1ccc(C(=O)NN=Cc2ccc(OC(=O)c3cccs3)cc2)cc1,1,0,0,0
CN(C)c1ccc(C(CNS(=O)(=O)c2ccc(F)c(F)c2)c2c[nH]c3ccccc23)cc1,1,0,0,0
FC(F)(F)c1c[nH]c2ncc(-c3cc(C4CCOC4)n(C4CCOC4)n3)cc12,0,0,0,0
COC(=O)N=Cc1c(NCc2ccccc2)nc2c(C)cccn2c1=O,0,0,0,0
CCOc1cc(C=C2N=C(C)OC2=O)cc(Br)c1OCC(=O)OC,0,0,0,0
COc1ccc(-c2cnc3c(N(CCO)CCO)snc3c2)cc1OC,0,0,0,0
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C1=Cc1cccs1,0,0,0,0
CN(C)c1cc[n+](C(C(=O)c2ccc(Cl)cc2)C(=S)NCc2ccco2)cc1,0,0,0,0
O=C(c1ccccc1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1,0,0,0,0
CC1CC(C)CN(CCOc2cccc(Cl)c2Cl)C1,0,0,0,0
CC(=O)NC(c1ccccc1)c1cccnc1,0,0,0,0
Nc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1N=Nc1ccccc1,0,1,0,0
CCCCN(C)C(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
CC(=O)Nc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCOCC(F)(F)F)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccnc1,1,0,0,0
COc1ccc(Cc2nc(-c3ccccc3)no2)cc1,0,1,0,0
COCCCNC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1,1,0,0,0
Cn1c(-c2cn([C@H]3CCNC[C@@H]3F)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1,0,0,0,0
Cc1sc2ncnc(N3CCC(C)CC3)c2c1C,0,0,0,0
Cc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1,0,0,0,0
CC(C)(C)Cn1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(CCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)n1,0,0,0,0
CC(C)n1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cc21,0,0,0,0
CCCCN(CCC)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0,0,0,0
C/C(=N\Nc1nnc2c3ccccc3n(C)c2n1)c1ccc(C)o1,0,1,0,0
CCOC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1cccs1,0,0,0,0
N/C(=N\OC(=O)Oc1ccccc1)c1cccc([N+](=O)[O-])c1,0,0,0,0
Clc1ccc(-c2cc(CNC3CCCC3)nn2-c2ccc(Cl)cc2Cl)cc1,0,0,0,0
Cc1cc(S(C)(=O)=O)ncc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C,0,0,0,0
c1coc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)c1,0,0,0,0
Cc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)N2CCCC(C(N)=O)C2)c1,0,0,0,0
OC1(c2ccc(Br)cc2)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
O=c1c([N+](=O)[O-])cc(C(F)(F)F)cn1Cc1c(Cl)cccc1Cl,0,0,0,0
CCOc1cccc(OCCOCCN2CCCC2)c1,0,0,0,0
CC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)C2S(=O)(=O)C1,0,0,0,0
COc1cc(N2CC3COCC(C2)N3)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(F)cc3)CC1=O)C2,0,0,0,0
COC(=O)c1ccc2c(=O)n(CCc3ccc(S(N)(=O)=O)cc3)c(SCC(=O)C(C)(C)C)nc2c1,0,0,0,0
NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1cc(-c2ccccc2)no1,0,0,0,1
CCOC(=O)CCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OCC)C(=O)OCC)cc1,0,0,0,0
COc1ccc(Cl)cc1Nc1nc2ccc(C)cc2n2cnnc12,0,0,0,0
CC1=Nc2cc(C(=O)N3CCC(C)CC3)ccc2Sc2ccc(Cl)cc21,0,0,0,0
CCn1c(CSc2nnc[nH]2)nc2cc(C(=O)O)ccc21,0,0,0,0
Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1C,0,0,0,0
CCCCC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C,0,0,0,0
O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5OC)CC4)ccc3c2=O)cc1,0,0,0,0
COc1ccccc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,1,0,0,0
CCOC1OC(C(=O)N2CCN(C)CC2)=CC(C2CCCCC2)C1CCCO,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccc(C(F)(F)F)cc2)c2ccccc21)C(C)C,0,0,0,0
COCCN1C(=O)c2[nH]nc(-c3cc(C)ccc3O)c2C1c1ccc(C(C)C)cc1,0,0,0,0
Cc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1,0,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5ccsc5c4)nn32)CC1,0,0,1,0
COc1ccc(NC2=NCC(C)S2)cc1,0,0,0,0
Cn1c(-c2ccccc2)cnc1NCc1cccc([N+](=O)[O-])c1,0,0,0,0
C[C@@]1(c2sc(-c3cncc(C#N)c3)cc2Cl)CS(=O)(=O)C2(CCOCC2)C(N)=N1,0,0,0,0
CNS(=O)(=O)c1ccc(Cl)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
CCCN1CCC(n2ccc3ccccc32)CC1,0,0,0,0
N#Cc1ccc(Nc2nn([C@@H]3CC[C@@H](NCC(F)F)C[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
O=C(OCC1CCCO1)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2(=O)=O,0,0,0,0
Cc1cc(C)c2c(c1)C(=NN=c1sc3ccccc3n1C)C(=O)N2,0,0,0,0
CC1(C)CC(=O)C2=C(C1)N(c1cccc(Cl)c1)C(=O)NC2(C(F)(F)F)C(F)(F)F,0,0,0,0
CS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCN2CCOCC2)s1,0,0,0,0
Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OCC(=O)N6)n3c2)cn1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)c3c2C(=O)N(c2ccncc2)C3=O)cc1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccccc3C(F)(F)F)cs2)cc1,0,0,0,0
CNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CN(C)S(=O)(=O)c1ccc(Nc2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)cc1,1,0,0,0
NC(=O)c1ccc(-c2cc(-c3cccs3)cnc2N)cc1,0,0,0,0
COc1ncc(Nc2ncc(C3CCOCC3)cc2-c2nc(C)nc(N)n2)cc1F,0,0,0,0
CC1c2ccsc2CCN1S(=O)(=O)c1cccs1,0,0,0,0
O=c1[nH]c2ccccc2cc1-c1cc2ccccc2[nH]1,0,0,0,0
C=CCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
COc1ccccc1NC1=Nc2cccc3cccc1c23,0,1,0,0
CNCCCCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21,0,0,0,0
CCN(CC)C(=O)CCS(=O)(=O)c1cccc2nonc12,0,0,0,0
Cc1cc(C)n2nc(CSc3ncc(-c4ccccc4)[nH]3)nc2n1,0,0,0,0
Cc1cc(Cl)c2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0,0,0
CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1CCO2,0,0,0,0
COc1ccc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)c(OC)c1,0,0,0,0
CCOc1ccc(-n2c(-c3ccc(C)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1,0,0,0,0
CN(C)CCNS(=O)(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])c1,1,0,0,0
COc1ccnc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2ccccc2)c1,0,0,0,0
Cc1ccc2c(CC(=O)NCC3COc4ccccc4O3)coc2c1,1,0,0,0
O=C(CBr)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc21,0,0,0,0
CC(=O)Nc1c(O)[nH]c(SCc2ccccc2)nc1=O,0,0,0,0
O=c1c(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,0,0,0,0
Cc1ccc(Nc2nc(-c3cccs3)cs2)nc1,0,1,0,0
CCCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCC1)c1ccncc1,0,1,0,0
C=CC(C)(O)CCC1C(C)=CC(=O)C2C(C)(C)CCCC12C,0,0,0,0
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1CC1=C(c2cc(-c3ccc(C(=O)O)cc3F)cc(C(F)(F)F)c2)CCC(C)(C)C1,0,0,0,0
Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccccc3)CC2C)no1,0,0,0,0
CCN(c1cccc(C)c1)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2,1,0,0,0
Cc1cc(C)cc(COc2ccc3c(C)c(CC(=O)O)c(=O)oc3c2C)c1,0,0,0,0
CC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1ccc(-c2ccc(N(C)C)cc2)cc1F,0,0,0,0
O=c1[nH]cnc2cc(-c3ccc(Br)cc3)sc12,0,1,0,0
Cc1ccc(C2CC(=O)N(Cc3ccccc3F)c3c2c(C)nn3-c2nc(C)cc(C)n2)cc1,1,0,0,0
COC(=O)C(Cc1cccc(C)n1)(c1ccccc1)c1ccccc1,0,0,0,0
O=C(c1ccccc1F)c1cn(Cc2ccccc2)c2ccccc12,0,0,0,0
Cc1nn(C(=O)N2CCCCC2)c(C)c1CN1C(=O)c2ccccc2C1=O,1,0,0,0
Nc1ncccc1-c1nc2ccc(Nc3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1,0,0,0,0
C=CCN(c1ncccc1CNc1nc(Nc2cccc(Br)c2)ncc1C(F)(F)F)S(C)(=O)=O,0,0,0,0
CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cc(Cl)ccc1OC[C@H]2CCN,0,0,0,0
CCC(C)NC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0,0,0
Oc1ccc2c(ccc3cc4ccc(O)cc4c(-c4ccc(OCCN5CCCCC5)cc4)c32)c1,0,0,0,0
CC(NC(=O)C(=O)NCCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1,1,0,0,0
CC(C)Cc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1,0,0,0,0
CCCOC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,0,0,0
COc1cc([C@@]2(O)CCN(CC(N)=O)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
CCN(CC)CCNc1ccc(CO)c2sc3ccccc3c(=O)c12,0,0,0,0
c1cncc(-c2nnc3n2N=C(c2cccs2)CS3)c1,0,0,0,0
CCOc1ccccc1NC(=O)C(c1ccccc1)N1CCN(C(=O)c2ccco2)CC1,1,0,0,0
Cc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C(C)C,1,0,0,0
Cc1ccc2oc(=O)c3cc(C(=O)N4CCN(C)CC4)sc3c2c1,0,0,0,0
COc1ccc(CCNc2nc(C)cc(C)c2C#N)cc1OC,0,0,0,0
CC1Cc2ccccc2N1C(=O)COC(=O)c1c2c(nc3ccccc13)CCCCC2,0,0,0,0
Cc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1,1,0,0,0
CC(C)N1CCC(n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0,0,0,1
CCSc1nc(-n2cccn2)nc(N)c1Br,0,0,0,0
Cc1cccc(C(=O)NC(=S)N2CCN(C(=S)NC(=O)c3cccc(C)c3)CC2)c1,1,0,0,0
S=c1[nH]nc(-c2cccs2)n1N=Cc1c(Cl)cccc1Cl,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3OC(OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
COc1ccc(CN2CC(C)C(c3nn4c(C5CCOCC5)ncc4c(=O)[nH]3)C2)cn1,0,0,0,0
C=CCNC(=S)NCCCCC1NC(=S)N(CC=C)C1=O,0,0,0,0
CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CC(C)(C)N(C)C3,0,0,0,0
COc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1,0,1,0,0
CCCc1c(OC)c(OC)cc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
COc1ccc([C@]23Cc4cc(C#N)ccc4[C@H](O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1,0,0,0,0
c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1,0,0,0,0
COC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,0,0,0,0
NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCC(F)(F)F)CC2,0,0,0,0
CCc1c(C)nc2ncnn2c1Nc1ccc(C)c(C)c1,0,0,0,0
CC(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1,0,0,0,0
CCCCC1(COC(=O)c2ccc(Cl)cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0,0,0,0
COC(=O)Cc1c(O)ccn(Cc2ccc(OC)c(OC)c2)c1=O,0,0,0,0
CC1(C)CSC(=NCc2ccccc2)N1C(=O)c1cccc([N+](=O)[O-])c1,0,0,0,0
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCCC3)c1Cl)C2=O,0,0,0,0
COCCn1c(=O)c(-c2ccccc2)nc2cnc(OC)nc21,0,0,0,0
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1,1,0,0,0
COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1,0,0,0,0
Cn1cccc1C(=O)OCc1ccc(C(C)(C)C)cc1,1,1,0,0
CCOC(=O)c1c(CCc2ccc(Cl)cc2)[nH]c2ccc(O)cc12,0,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NCC1(C)CC1,0,0,0,0
COc1cccc(-c2cn3ncsc3n2)c1,0,1,0,0
O=C(O)c1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c1,0,1,0,0
CCN(CC)CCCC(Nc1c2ccccc2nc2ccccc12)C1CC1,0,0,0,0
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(C2CCC(OC)CC2)C3=O)c(OC)n1,0,0,0,0
COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1cccc(OC(F)(F)F)c1,0,0,0,0
CC(OC(=O)c1ccc(Cl)nc1)C(=O)N1CCc2ccccc21,0,0,0,0
COc1cc(C=C2CC(C)OC2=O)c([N+](=O)[O-])cc1OC,0,0,0,0
Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)N(C)C)ccc3n2CC(C)O)c1,0,0,0,0
CCCC(c1ccc2c(c1)CCO2)N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1,0,0,0,0
COc1ccc2cnc(Nc3ccc(N4CCC(N)C4)cc3)nc2c1C1CCCC1,0,0,0,1
COc1cccc(-c2ccc(NC(=O)C3CCCN(Cc4nccn4C)C3)cc2)c1,1,0,0,0
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)CC1,1,0,0,0
CCOc1ncc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1Cl,0,0,0,0
CC(N)=C(C#N)C(=O)CSc1ncnc2ccccc12,0,0,0,0
COc1cc(/C=N/NC(=O)CN2CC(c3ccccc3)CC2=O)ccc1OC(=O)N(C)C,1,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCC23COC3)CC1,0,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1ccc(C)o1,0,0,0,0
CO/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,0,0,0,0
CCOc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,0,0,0,0
CN(C)C(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1,1,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc4ccccc4c3)cs2)cc1,0,0,0,0
COc1cc(C(C)C)c(Oc2cnc(NC3CCOCC3)nc2N)cc1I,0,0,0,0
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NN=Cc3cccc(O)c3O)cc2)c1,1,0,0,0
O=C(Cc1c(NC(=O)CCl)sc2c1CCCC2)NNC(=S)S,0,0,0,0
Cc1ccnc(C(=O)c2[nH]c3ccc(C(C)(C)C)cc3c2CC(=O)O)c1,0,0,0,0
CCC1OC(=NC2CCCCC2)NS(=O)(=O)C12CC2,0,0,0,0
C=CCNC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1,0,0,0,0
CCCC1CC1(CCC)C(NS(=O)(=O)c1cccc2cccnc12)c1ccc(Cl)cc1,0,0,0,0
NNc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
CC1(C)CC(C)(c2ccc(O)cc2O)N(c2ccc3ccccc3c2)C(=S)N1,0,0,0,0
CCOC(=O)Cc1csc(/C(=N/O)C(N)=O)n1,0,0,0,0
CC1CC(C)CN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)C1,1,0,0,0
Cc1ccc2c(c1)C1(CCN(CCc3coc(-c4ccc(F)cc4)n3)CC1)OC(=O)N2,0,0,0,0
Cc1cccc(OC2CCN(Cc3c(C(=O)N4CCCC4)nc4ccccn34)CC2)c1,1,0,0,0
CCOC(=O)N1CCc2c(sc(NC(=O)C3=COCCO3)c2C(N)=O)C1,0,1,0,0
Cc1cccnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
O=C(NCC(=O)N(Cc1ccccc1)C(C(=O)NCC1CCCO1)c1ccccc1)c1cccs1,1,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2c(C)[nH]c(=O)[nH]c2=O)CC1,0,0,0,0
CCOCCn1nc(C)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c21,0,0,0,0
C=CC(=O)Nc1cccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c1,0,0,1,0
O=c1[nH]nc(-c2ccc(F)cc2)cc1Cc1ccccn1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(Cl)cc4)cn3)[C@H]12,0,0,0,0
Fc1ccccc1-c1nc(NC2CCCC2)c2ccccc2n1,0,0,0,0
Cn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1F,0,0,0,0
c1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3,0,0,0,0
O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2Cl)c1F,0,0,0,0
CCOc1cccc2oc(-c3cn4nc(SC)sc4n3)nc12,0,0,0,0
CCn1cc(C(=O)NCC(OC)OC)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0,0,0
Cn1cnc(S(=O)(=O)NCCOc2cccc(C3(Cc4ccccc4)CCN(C(=O)C(F)F)C3)c2)c1,0,0,0,0
CCOc1ccc(-c2cnc(NCc3ccc(OC)cc3OC)n2C)cc1,0,0,0,0
Fc1ccccc1COc1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1,0,0,0,0
CC(C)CC(=O)c1ccc(OCCCCOc2cccc(F)c2F)c(Br)c1O,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)CC1,0,0,0,0
Cc1cc(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)n2ncnc2n1,1,0,0,0
CN1CC(n2nccc2-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncccn3)cc2Cl)C1,0,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)CCC(=O)O)ccc21,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CCC#N)c1,0,0,0,0
COc1ccccc1-c1ccc2cnc(Nc3cccc(N4CCN(C)CC4)c3)nn12,0,0,0,0
COc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc(OC)c1,1,0,0,0
O=C(NCC1OCCc2ccccc21)c1ccc(NC(=O)c2cccc(Br)c2)cc1,1,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NCC(=O)O)c1C,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOc2ccccc21,0,0,0,0
COCCN1CCOc2cc(COc3ccccc3)cnc21,0,0,0,0
O=S(=O)(c1cn(C2CCNC2)c2ncccc12)c1c(Cl)nc2sccn12,0,0,0,0
CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CCOC)CCC3,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccccc2)CC1,0,0,0,0
O=C1NC(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2C1=O,0,0,0,0
COc1cc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)cc(OC)c1OC,0,0,0,0
CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c2c1C,0,0,0,0
CCC(C)Nc1nc(C#N)nc(N2CCOCC2)c1N,0,0,0,0
N#CCn1c(=O)[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)n(CC#N)c5c4)c3)Cc3c[nH]c4ccccc34)cc21,0,0,0,0
CN(C)CCCn1c2c3ccccc3ccc2c2oc(=O)c3ccccc3c21,0,0,0,1
CCCSc1cc(NCCOC(=O)CCC)c([N+](=O)[O-])c2nonc12,0,0,0,0
O=C(NCc1ccco1)c1cccn2c(=O)c3cc4ccccc4cc3nc12,1,0,0,1
Cn1cccc1Cc1nnc(SCC(=O)N2CCc3ccccc32)n1CCc1ccccc1,1,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
CNC(=O)c1cccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1,0,0,0,0
COc1ncc2nc(-c3cccc(C#N)c3)c(=O)n(CCC#N)c2n1,0,0,0,0
CNC(=O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCCc1nc(C)c2c(NS(C)(=O)=O)nc3ccc(OC)nc3n12,0,0,0,1
C[C@@H]1CC(=O)Nc2cccc(C(=O)Nc3cccc(-c4cnco4)c3)c2N1,0,0,0,0
COc1cccc(OC)c1-c1cccc2c1OC[C@H](N(C)C)C2,0,0,0,0
COc1cc(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1O,0,0,0,0
CCCS(=O)(=O)Nc1cc(F)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1Cl,0,0,0,0
CC(Cc1ccc(O)c(O)c1)C(C)Cc1ccc(O)c(O)c1,0,0,0,0
Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)cc1,0,0,1,0
CS(=O)(=O)c1ccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)cc1,0,0,0,0
Cc1cccc(C)c1N1CCN(c2c(C)cccc2C)CC1,0,0,0,0
COC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1N,0,0,0,0
Cc1cc2nc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nnc2cc1N,0,0,0,0
CCOc1ccc(C(=O)N2CCCC2)cc1OC,0,0,0,0
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(C)C3)cc12,0,0,0,0
NC(CCCCc1ccccc1)(C(=O)O)[C@H]1C[C@@H]1C(=O)O,0,0,0,0
CCN(CC)C(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
Cc1c(C2=NN(Cc3ccccc3)C(=O)C3CCCCC23)c2cc(F)ccc2n1CC(=O)O,0,0,0,0
NCCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3,0,0,0,0
CCOC(=O)C1C(=O)N=C(N2CCOCC2)NC1c1ccco1,0,0,0,0
Cc1cc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)n(C)n1,0,0,0,0
COc1ccc(CSc2nc(=O)cc(C)[nH]2)cc1Br,0,0,0,0
CCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccc2c1OCCO2,0,0,1,0
N#Cc1ccc([C@H]2CCCCc3cncn32)c(-c2ccc(F)cc2)c1,0,0,0,0
Cc1cc(C)c(-c2nc3ncc(S(C)(=O)=O)cc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
O=c1c2ccccc2nc(-c2ccoc2)n1CCc1ccccc1,0,0,0,0
COc1ccccc1C1(CCNC(C)c2cccs2)CCOC(C(C)C)C1,0,0,0,0
N#Cc1ccc(Oc2cccnc2)cc1Oc1cccnc1,0,0,0,0
COc1cc(O)cc2c1C(=O)OC(C)CCCCCCC2,0,0,1,0
O=C1C2CCCNC2C(Nc2ccc(F)c(Cl)c2)N1Cc1cccs1,0,0,0,0
COC(=O)C1C(C(=O)OC)C1(c1ccccc1)c1ccccc1,0,0,0,0
CCCc1cncnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
COCCN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)NCc1ccc(OC)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
COc1ccc(-c2sc(Nc3ccc(F)c(F)c3F)nc2CCC(=O)NN)cc1,0,0,0,0
CCCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1=O,0,0,0,0
CCN(CC)c1ccc(NC(=S)NC(=O)c2cccs2)cc1,0,1,0,0
Cc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1,0,0,0,0
Cc1cccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)c1,0,0,0,0
CC1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12,0,0,0,0
CCCC1CCc2c(sc(NC(=O)OCC)c2C#N)C1,0,0,0,0
O=C(/C=C/c1ccc2ccccc2n1)c1cc(Cl)ccc1O,0,1,0,0
COc1cc(/C=N/NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1O,0,1,0,0
O=C(O)/C=C/C(=O)Nc1ccc2c(c1)NC(=O)CO2,0,0,0,0
Cc1c(N(Cc2ccc(F)c(C(F)(F)F)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2ccccc12,0,0,0,0
O=c1[nH]c2c(c3ccccc13)CCCC2,0,0,0,0
Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)nc1,0,0,0,0
Cc1c(S(=O)(=O)N2CCc3ccccc3C2)c(=O)n(C)c(=O)n1C,0,0,0,0
O=S(=O)(c1ccccc1Cl)N1CCC(CCc2ccc(F)cc2F)CC1,0,0,0,0
Cc1c(C(=O)NCCO)sc2ncnc(Nc3cccnc3OCC(C)F)c12,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4F)cn3)[C@H]12,0,0,0,0
Cc1c(NC=C2C(=O)N(Cc3ccco3)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C,1,0,0,0
CN(C)C1CCCc2ccncc21,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)oc2c1,0,0,0,0
CCCC[n+]1ccn(-c2nc3ccccc3nc2N=S(=O)(O)c2cccs2)c1,0,0,0,1
CC(C)Oc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1,0,0,0,0
CCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1cc(F)cc(F)c1,1,0,0,0
COc1nn2cc(-c3ccc(OC(F)(F)F)cc3)nc2s1,0,0,0,0
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(Oc3ccc(Cl)cc3)nc3c(C)cccn3c2=O)cc1,0,0,0,0
NC(=O)Nc1snc(SC2CCCc3ccccc32)c1C(N)=O,0,0,0,0
O=C(CCC(=O)Nc1ccccc1)NN=CC=Cc1ccccc1,1,0,0,0
Cc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,1,0,0,0
COc1ccc2c(c1)C(Br)=C(c1ccc(O)cc1)C2=O,0,0,0,0
Oc1ccc2ccc(=S)oc2c1,0,0,0,0
NC(=O)c1nc2c(s1)C(F)(F)COc1ccc(C#C[C@]3(O)CCNC3=O)cc1-2,0,0,0,0
CCOC(=O)C1=CN(CC)S(=O)(=O)NC1c1ccc(F)c(Cl)c1,0,0,0,0
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2ccccc2Cl)n(C)c1=O,1,0,0,0
S=C(NCCCCc1cnc[nH]1)NCCc1ccccc1,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1CCn2cnnc2C1,0,0,0,0
Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C.Cl,0,1,0,0
O=C(CSc1nc2ccccc2s1)c1ccc(O)cc1O,1,1,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3COC(C)=O)nc2-c2ccc(C)cc2)c1,0,0,0,0
CS(=O)(=O)Nc1cc2c(cc1Sc1ccccn1)C(=O)CC2,0,0,0,0
COc1ccccc1Cc1nc(-c2cccnc2)no1,0,0,0,0
Cc1ccc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)NCc4ccccc4)cc32)c1,1,0,0,0
COc1cc(/C=N/NC(=S)NCc2ccccc2)ccc1OCC#N,1,0,0,0
COc1ccc(S(=O)(=O)N2CCCC(c3ccccc3-c3cnc(N(C)C)nc3)C2)cc1,0,0,0,0
CN(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)c1,0,0,0,0
Nc1ncc(-c2cc3ccccc3oc2=O)s1,1,1,0,0
CCNC1(C(N)=O)CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
C=CCN1C=C2C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C(c3ccco3)=C2C=C1CCCC,0,0,0,0
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(CCN1CCC(C(=O)OC(C)C)CC1)c(=O)n2C,0,0,0,0
O=C(NCCCNS(=O)(=O)c1ccc(OC(F)(F)F)cc1)C1=Cc2ccccc2S1(=O)=O,0,0,1,0
C/C=C/c1ccc(OCCCCOc2ccc(OC)cc2)c(OC)c1,0,0,0,0
CCCCn1cnc2c([nH]c3ccccc32)c1=O,0,0,0,0
COc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C(N)=O)CC2,0,0,0,0
CC[C@H](C)[C@@H]1NCCCCCCNC(=O)[C@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O,0,0,0,0
CC(=O)Nc1ccc(N2CCCC2)cc1,0,0,0,0
CCOC(=O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O,0,0,0,0
CC1Cc2c(OCc3ccc(-c4ccccc4)cn3)ccc3c2c(c(COCc2ccccc2C(=O)O)n3Cc2ccc(Cl)cc2)S1,0,0,0,0
CN(C)CCN1CCC(CNc2nc3c(Br)c(Br)c(Br)c(Br)c3[nH]2)C1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CNc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cccc2s1,0,0,0,0
O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccccc1,1,0,0,0
Cc1nc2c([nH]c3ccccc32)c(=O)n1N,0,0,0,0
CC(C)CN(CCCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)CC(C)C,1,0,0,0
COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4ccc(C)cc4)cc3)CC2)cc1,0,0,0,0
O=C(O)CCc1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1,0,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3cccc([N+](=O)[O-])c3)c2)n1,0,0,1,0
COC(=O)/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N)cc3)[nH]2)cc1,0,0,0,0
Cc1ccc(CSc2nc(=O)cc(N)[nH]2)cc1,0,0,0,0
CC(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,0,0,0,0
O=Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,0,0,0,0
Cc1cc2ncc(C(=O)Nc3ccsc3C(=O)O)c(C)n2n1,1,1,0,0
COc1ccc(-c2nc3ccc(NCc4ccc(C)c(C)c4)cc3n(CCNC(C)=O)c2=O)cc1,0,0,0,0
Cc1cccc(C=Cc2onc(C)c2S(=O)(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c1,1,0,0,0
COc1ccc2c(OCCCCOc3ccccc3)c3ccoc3nc2c1OC,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(F)cc3)CC2)C(=O)Nc2ccccc21,0,0,0,0
O=C(Nc1ccccc1)O/N=C/c1ccc(F)cc1,0,1,0,0
O=S(=O)(CCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(NCc2cccs2)CC1,0,0,0,0
O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4ccccc4)c3=O)ccc2/C1=C/c1ccc[nH]1,0,0,0,0
Cc1cc(OCCc2nc[nH]c2C)cc(C(=O)N(CC(C)C)CC(C)C)c1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(C)ccc3C)CC2)n[nH]1,0,0,0,0
O=C1CC(c2ccccc2)CC(O)=C1Sc1nc2ccc(Cl)cc2[nH]1,0,0,0,0
CCCc1cc(C(=O)OC)c(NC(=O)c2cc(C)on2)s1,1,0,0,0
COc1ccccc1-n1nc(OC2CCN(C(=O)C(F)(F)F)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3cc(Cl)cc(C(F)(F)F)n3)CC2)C1,0,0,0,0
CCCN(CCC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
CCNC(=O)CSc1nc(-c2cc(OCC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1,0,0,0,0
Cc1ccccc1Nc1c(-c2cccs2)nc2cccc(C)n12,0,0,0,0
c1ccc2ncc(Nc3n[nH]c4cccnc34)cc2c1,0,0,0,0
Cc1cc2ncn(S(=O)(=O)c3ccc(F)cc3)c2cc1C,0,0,0,0
Cc1cc2c(cc1C)NC(c1nc3ccccc3[nH]1)C1C(=O)CC(C)(C)CC1=N2,0,0,0,0
Cc1c(Nc2ncc(Cl)c(-c3cnc4ccccn34)n2)cnn1C1CCNCC1,0,0,0,0
COc1ccc(Nc2c(-c3ccc4nccnc4c3)c(C)nn2C2CCCCC2)c(C(=O)O)c1,0,0,0,0
COc1ccc(-n2c(=O)c(-c3ccc(Cl)cc3)nc3cncnc32)cc1,0,0,0,0
Cc1ccccc1-n1c(O)cc(=O)[nH]c1=S,0,0,0,0
COc1ccc(NC(C)=O)cc1S(=O)(=O)N1CCN(C(=O)c2ccccc2F)CC1,0,0,0,0
Cc1ccc(OS(=O)(=O)c2ccc(-c3csc(C)n3)s2)c(C)c1,0,0,0,0
Cc1ccc2nc(SCCC#N)nc(C)c2c1,0,0,0,0
Cc1cc(NC(=O)Cc2ccsc2)ccc1Br,0,1,0,0
CC(=O)Nc1ccc(-c2ncnc3c2cc(C(N)=O)n3C)cc1,0,0,0,0
COCCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C,0,0,0,0
CC(C)OCCCNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
Nc1cccc(C2(C3CCN(Cc4ccc(Br)cc4)CC3)CCC(=O)NC2=O)c1,0,0,0,0
Cn1cccc1Cc1nnc(SCC(=O)NCC2CCCO2)n1CCc1ccccc1,1,0,0,0
COc1ccc(C(C)=NNc2nc(=O)cc(-c3ccccc3)[nH]2)cc1,0,0,0,0
CCOc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
Cc1ccc(C(=O)NC(C)C)cc1-n1cnc2ccc(N3CCN(C)CC3)cc2c1=O,0,0,0,0
Nc1cc(OC(=O)c2ccc(F)cc2)nn1S(=O)(=O)c1ccccc1,0,0,0,0
CC(NC(=S)NCCc1ccccc1)C(c1cccs1)N1CCN(C)CC1,1,0,0,0
C#Cc1ccc(C2C=C(C(=O)NCc3ccccc3)OC(OCC)C2CCCO)cc1,1,0,0,0
COc1cccc(C2CC(c3cccs3)=NN2C(S)=Nc2ccccc2)c1OC,1,0,0,0
O=C1CC(c2ccccc2)Cc2nc(N3CCc4ccccc4C3)ncc21,1,0,0,0
CCc1ccc(-c2ncc(F)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,0,0,0,0
CCOCCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
NCCc1ccc(O)c2c1CC(=O)N2,0,0,0,0
COc1ccc(C2CC(=O)N(Cc3ccc(C)cc3)c3c2c(C)nn3-c2nc(C)cc(C)n2)c(OC)c1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1,0,1,0,0
O=C1NC(=O)C(c2c[nH]c3ccccc23)=C1Nc1cccc(OCCCn2ccnc2)c1,0,0,0,0
COC(=O)Cc1csc(N)n1,0,0,0,0
COCCN(C(=O)C1CC1)c1nnc(-c2ccc(C)cc2)s1,1,0,0,0
Cc1cc(C)c(OCCCON2C(=O)CCC2=O)c(Br)c1,0,0,0,0
COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1,0,0,0,0
O=C(O)c1cccc(N=NN2CCCCCC2)c1,0,1,0,0
COc1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1,0,0,0,0
CC(C)NC(=O)c1nc(NCc2cccnc2)nc2ccsc12,0,0,0,0
Cc1cccc2c1OC(C1=NCCN1)CN2C,0,0,0,0
CC1CC(N2CC(CC#N)(n3cc(-c4ncnc5[nH]ccc45)cn3)C2)CCN1Cc1c(F)cccc1Cl,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(Cc2ccc(OC)c(OC)c2)c1,0,0,0,0
NC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3Cc2ccccn2)c1,0,0,0,0
CC(=O)C1CN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CCN1,0,0,0,0
CCc1ncc(CN2CCC(C(=O)Nc3ccc(-n4nc(C)cc4C)cc3)CC2)cn1,1,0,0,0
CCC(O)(CC)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1,0,0,0,0
CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1,1,0,0,0
Cc1ccnc(NC(=O)Nc2ccc(Br)cc2Cl)c1,0,1,0,0
CC(C)(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21,0,0,0,0
Cc1ccc(NC(=S)NC(=O)C2CCCC2)cc1C,1,1,0,0
Cn1c(=O)c2c(nc(NN=Cc3ccc(OC(=O)c4ccco4)cc3)n2Cc2ccccc2)n(C)c1=O,0,0,0,0
Cc1c(CC(=O)O)c2ccc(Cl)nc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCCC(=O)OC)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
COc1cc(OCc2csc(-c3ccc(C(=O)N4CC(O)C4)cc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CCOC(=O)CSc1nnnn1-c1cccc2ccccc12,0,0,0,0
CC(C)(C)c1nc(-c2cc(Cl)cc(NS(C)(=O)=O)c2F)c(-c2ccnc(N)n2)[nH]1,0,0,0,0
N#Cc1nc(NC2CC3CCC2C3)c(N)c(N2CCOCC2)n1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3cc(C(F)(F)F)ccc3Cl)CC2)C1,0,0,0,0
O=C1Nc2ccc(NC(=O)C(=O)N3CCC(Cc4ccccc4)CC3)cc2CO1,0,0,0,1
Cc1ccc2c(c1)N(CC(=O)O)C(=O)CO2,0,0,0,0
COc1cc(OCc2cccc(-c3cnc(OC)nc3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2CC(=O)NC(C)(C)C)c1,0,0,0,0
COC(=O)Cc1c(C)nc2nc(-c3ccccc3)[nH]n2c1=O,0,1,0,0
Cc1ccccc1CSCc1nc2ccccc2[nH]1,0,0,0,0
N#CC(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ccc1O,0,0,0,0
Cc1ccccc1CSc1nc(O)c2ccccc2n1,1,0,0,0
CCCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F,0,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3C)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
CC(=O)N1C(c2ccccc2O)CC2(C)CC(=O)NC12,0,0,0,0
CCN1CCC(c2nc(-c3cccc(Br)c3)cs2)CC1,0,0,0,0
CN(C)Cc1ccc(-c2c[nH]c(=O)c3cccc(O)c23)cc1,0,0,0,0
Cc1ccc(NC(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc1,0,1,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nccc(OCC4CC4)c3F)C2)cc1,0,0,0,0
NCC1(c2ccc(-c3c(O)cc(Br)c4[nH]c(=O)c5sccc5c34)cc2)CC1,0,0,0,0
N#CCSc1nnc(Cc2ccc3c(c2)OCO3)o1,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1nnc(-c2ccccc2)o1,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CC(C#N)C(=O)O)C(=O)O)cc1,0,0,0,0
C=CCN1CCN(c2nc3ccccc3nc2C#N)CC1,1,0,0,0
Cc1cnc(-c2cc(N3CCC(NC(=O)CN(C)C)CC3)ncc2Cl)c(C)c1,0,0,0,0
CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccc(OC)cc2)cc1,1,0,0,0
Cc1c(C(C)NC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)cnn1C,1,0,0,0
CSCC[C@H](NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
CCC(c1ccccc1)c1nc(-c2cccnc2)no1,0,0,0,0
c1ccc(-c2[nH]c3ccccc3c2C2CNCCO2)cc1,0,0,0,0
O=C1C=C(NCc2ccco2)CCC1,0,0,0,0
CC(=Cc1ccccc1)C=C1SC(=S)N(CCC(=O)O)C1=O,0,0,0,0
CC(=O)OCC(=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,0,0,0,0
Nc1ncc(-c2ccc(C3(c4noc(-c5cnccn5)n4)CCC3)cc2)cn1,0,0,0,0
COc1ccc([C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1OC1CCCC1,0,0,0,0
O=c1c(-c2ccccc2)nc2cnc(N3CCOCC3)nc2n1CC1CCCO1,0,0,0,0
CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C(=O)N(C)C)C(C)C,0,0,0,0
CC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)N(O)C=O)C1=O,0,0,0,0
COc1ccc(C(O)P(=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1OC,1,0,0,0
Cc1ccc(CN2CCN(C)CC2)c(C)c1,0,0,0,0
O=C(c1cc(OCC(F)(F)F)c(C2CC2)cn1)N1CC(F)(F)C1,0,0,0,0
CC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cc1nc2sccn2c(=O)c1S(=O)(=O)NC(C)c1ccccc1,0,0,0,0
CCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1,0,0,0,0
O=C(C=Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)cc1,1,0,0,0
N#Cc1ccc(C2C3=C(CCC3=O)N(c3cccc(C(F)(F)F)c3)C(=O)N2C(=O)NCC2CCC(=O)N2)cc1,0,0,0,0
CCN(CC)CCCNC(=O)CCc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2cccc(F)c2)cc1F,0,0,0,0
CCOCCc1cnc(NC(=O)NC)c(Oc2cccnc2CC)c1,0,0,0,0
O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1,1,0,0,0
CC(=O)Nc1nnc(-c2cc(C(C)C)c(O)cc2O)n1-c1ccc2c(ccn2C)c1,0,0,0,0
COC[C@H]1OC(=O)/C(=C/N2CCN(c3ccccc3)CC2)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)[C@@H](O)CC[C@@H]34)[C@]21C,0,0,0,0
COc1ccc2nc(SCc3ccccc3)nc(C)c2c1,0,1,0,0
CC(C)(C)NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1,0,0,0,0
C=C(C)C1(O)CC2(C)C(=CC1=O)CCC(O)C2C,0,0,0,0
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,1,0,0,0
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCCC2OC(=O)NC2=O)cc1,0,0,0,0
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2ccc(N3CCCC3=O)cc2)c(=O)[nH]c1=O,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1CCC(CNCc2ccnc3ccccc23)CC1,0,0,0,0
CC(=O)c1cccc(NC(=O)c2cc(-c3cccs3)on2)c1,0,1,0,0
C[C@@H](Nc1nc(Nc2ccc([S+](=O)(N=S(=O)([O-])CC[Si](C)(C)C)C3CCCC3)cc2)ncc1Br)C(C)(C)O,0,0,0,0
COc1cccc(-c2cnc(NCc3ccccc3Cl)n2C)c1,0,0,0,0
Cn1c(=O)c2nc(-c3ccccc3)oc2c2ccccc21,0,0,0,0
C=CCNC(=S)N1CCN(CCN=CC2=C(O)CC(c3ccco3)CC2=O)CC1,0,0,0,0
CCCC(=O)Nc1nnc(SCc2cc(=O)c3ccc(C)cc3[nH]2)s1,0,0,0,0
O=[N+]([O-])c1cc(S(=O)(=O)N=C(c2ccccc2)N2CCOCC2)ccc1Cl,0,0,0,0
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(OC)cc3)oc2C)CC1,1,0,0,0
CCCCN1CC(=O)N2[C@H](c3ccccc3Br)c3[nH]c4ccccc4c3C[C@@H]2C1=O,0,0,0,0
O=[N+]([O-])c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,0,0,0,0
CCOc1ccc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)cc1,0,0,0,0
O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCOc4ccc(F)cc4)CC3)cccc21,0,0,0,0
CC(C)c1ccc(C=C2SC(=S)N(CC(=O)NCCCN3CCOCC3)C2=O)cc1,1,0,0,0
C(=NN1CCOCC1)c1cn(-c2ccccc2)nc1-c1ccccc1,1,0,0,0
O=c1[nH]cnc2c(CN3CC(O)[C@@H](CO)C3)[nH]nc12,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccccc4OC)cc(C)c3CC[C@@H]12,0,0,1,0
CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1N(C(=O)OC(C)(C)C)c1ccccc1,0,0,0,0
O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1ccc(Cl)cc1,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C=O)cc1Cl)C(F)(F)F,0,0,0,0
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCCCN5CCNC(=O)C5)c([N+](=O)[O-])c4)c(Oc4cc5cc[nH]c5c(F)c4F)c3)CC2)=C(c2ccc(Cl)cc2)C1,0,0,0,0
N=C(N)N1CCN(Cc2ccccc2)CC1,0,0,0,0
O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCC(F)(F)CC1,0,0,0,0
N#CCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
CCCCCCCCNC(=O)N1CCC(Nc2ccc(CCNC[C@H](O)COc3ccc(O)c4c3CCC(=O)N4)cc2)CC1,0,0,0,0
O=C(COC(=O)CCCSc1nc2ccccc2[nH]1)Nc1cccc2ccccc12,1,0,0,0
Cc1ccccc1NC(=O)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
CN1CC(C2=NCCN2)Oc2ccc(CO)cc21,0,0,0,0
COc1cccc(N=C2C(=O)N3CCCc4cccc2c43)c1,0,0,0,0
N#C[C@@H]1C[C@H](NCC(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1,0,0,0,0
Cc1coc2cc3oc(=O)c(CC(=O)N4CC5CC(C4)c4cccc(=O)n4C5)c(C)c3cc12,1,0,0,0
Cc1cc(C)cc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1,1,0,0,0
O=C(O)CNC(=O)c1nc(-c2ccccc2)cc2c1ncn2-c1ccccc1,0,0,0,0
Cc1c(-c2ccc(OS(=O)(=O)N(C)C)cc2)[nH]c2nccnc12,0,0,0,1
CC(F)(F)Cn1cc(Nc2cc(-n3ncc4cc(Cl)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
O=C(O)c1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,0,0,0,0
Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccccc1,1,0,0,0
CCc1nn2c(=O)cc(CSc3nc(=O)cc(C)[nH]3)nc2s1,0,0,0,0
O=C(/C=C/c1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1,1,0,0,0
CCCC(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
CCOc1ccc(CCNC(=O)C2CCN(c3nn4c(=O)cc(C)nc4s3)CC2)cc1OCC,1,0,0,0
C[C@H](C1=C(CCN(C)Cc2nccs2)Cc2ccccc21)c1cnccn1,0,0,0,0
CC(=O)NCCNS(=O)(=O)c1cnc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1,0,0,0,0
COc1cccc(CNCCSc2nnnn2C)c1.Cl,0,0,0,0
COc1cccc(-c2nc(NC3CCCC3)c3ccccc3n2)c1O,0,0,0,0
COC(=O)c1c(NS(C)(=O)=O)sc2c1CCCC2,0,0,0,0
COc1ccc(OC)c(CCNC(=O)c2ccc3c(=O)[nH]c4c(C(=O)NC(C)C)sc(=S)n4c3c2)c1,0,0,0,1
CC(C)(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12,0,0,0,0
CN(C)C(=O)N1CCN(C(=O)c2ccco2)CC1,1,0,0,0
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cn3)cc2)cc(C)c1O,0,0,0,0
CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c1ccccc1Cl,0,0,0,0
CC(=O)NCCNc1nc(-c2cccc(C#N)c2)nc2ccccc12,1,0,0,0
Cc1cn(-c2ccc3n(c2=O)CCN(CC2CC(c4cc(C(F)(F)F)ccc4Cl)=NO2)C3=O)cn1,0,0,0,0
Cc1ccccc1S(=O)(=O)/N=C(/Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1,0,0,0,0
CCn1c(=O)c2cn[nH]c2c2ccc(-c3ccc(N4CCNCC4)nc3)cc21,0,0,0,0
COc1cc2c(cc1NS(=O)(=O)c1cccc(Cl)c1Cl)[nH]c(=O)n2C1CNC1,0,0,0,0
CCOC(=O)Cc1nn(Cc2ccc(Cl)cc2)c(=O)c2ccccc12,0,0,0,0
C=C1CCC2C(C)(COC3OC(CO)C(O)C(O)C3O)C(O)CCC2(C)C1CC=C1C(=O)OCC1O,0,0,1,0
Cc1cc(O)c(C=Nc2ccccn2)c(=O)o1,0,0,0,0
Cc1cccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c1,0,0,0,0
CCOC(=O)c1c(-c2ccsc2)csc1N,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCCNC(=O)CC[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O,0,0,0,0
COc1ccc(C(=O)NN=Cc2cc3ccccc3[nH]c2=S)cc1,0,0,0,1
Cc1ccc(CN2CC(C(=O)N3CCN(c4ccccc4O)CC3)CC2=O)cc1,0,0,0,0
CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4cccc(F)c4n3)CC2)cc1F,0,0,0,0
CCCNC1=C(C)C(=O)C2=C(C1=O)C(COC(N)=O)C1(OC)C3NC3CN21,0,0,0,0
CCC(=O)N1N=C(c2ccc(C)cc2)CC1c1ccco1,0,0,0,0
N#CC(C#N)=Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,0,0,0,0
CC1CCCC(C)N1CCCCCCN1C(=O)C(c2cccc(C(=N)N)c2)Oc2ccccc21,0,0,0,0
Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)ccc1NC(=O)c1cc2ccccc2o1,0,1,0,0
OCCN1CNC(=S)NC1,0,0,0,0
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CO4)nc(N3CCCC(F)(F)CC3)n2)cn1,0,0,0,0
N#Cc1cccc(NC2CCCCC2)c1,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N(c1ccc(Br)cc1)C1C=CS(=O)(=O)C1,0,0,0,0
CC(C)(C)C(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(CC(N)=O)CC1,0,0,0,0
CN(Cc1ccco1)c1ncnc2ccc(-c3cccc(C#N)c3)cc12,1,0,0,0
CCCOc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1,0,0,0,0
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(CCN)C3)cc12,0,0,0,0
CCC(=O)Nc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
COc1ccc(N(Cc2ccc(N(C)C)cc2)C(=O)c2ccc(S(C)(=O)=O)cc2)cc1,1,0,0,0
Cn1nc2c(c1Cc1cccc(C(F)(F)F)c1)C[C@H](N)C(=O)N2O,0,0,0,0
O=C(NC1CC1)c1ccc(Cn2c(SCc3ccc(F)cc3)nc3cccnc32)cc1,0,1,0,0
COc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
Cc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1,0,0,0,0
O=c1ccc2n[nH][nH]c-2c1,0,0,0,0
CN(C)/C=C/c1onc(-c2c(Cl)cccc2Cl)c1C#N,0,0,0,0
Oc1ccc(CCCCc2ccc(Cl)c(Cl)c2)cc1O,0,0,0,0
CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c(-c3ccc(NC(C)C)cc3)[nH]2)cc1,0,0,0,0
COCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12,0,0,0,0
N#Cc1ccc(N2N=C(c3ccc(C(=O)O)cc3)CC2c2ccc(F)cc2)cc1C(F)(F)F,0,0,0,0
COc1ccc2c(c1)c(C(C)=O)c(C)n2Cc1ccco1,0,0,0,0
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2,0,1,0,0
C=C(C)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,1,0,0,0
COc1ccc(Cn2nnnc2C(c2cc3cc(C)ccc3[nH]c2=O)N2CCN(C)CC2)cc1,0,0,0,0
CNC(=O)Nc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C,0,0,0,0
CCOC(=O)c1ccc(NC(=S)N(CCN2CCCCCC2)Cc2cccs2)cc1,0,0,0,0
CCC(C)/C(C)=N/NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(OCCN(CC(C)C)CC(C)C)c3)oc2c1,0,0,0,0
COCCn1c(C)cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c1C,0,1,0,0
COc1cccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)c1,0,0,0,0
O=S(=O)(c1cccc(F)c1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)cn1C,0,0,0,0
CC(C)(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
CCCCCCCCCCCCCC(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1,0,0,0,0
Cc1ccc(/C=C2\Sc3ccccc3C2=O)s1,0,1,0,0
CCOC(=O)c1cc(-c2csc(COc3ccccc3)n2)on1,0,0,0,0
O=C1CCNc2c(Cl)cc(Cl)cc21,0,0,0,0
O=C(c1cnsn1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1,0,0,0,0
Nc1ncc(-c2cc(N3CCC3)nc(N3C[C@@H](F)[C@@H](F)C3)n2)cc1OC(F)F,0,0,0,0
C=CC(=O)N1CCN(c2nc(=O)n(-c3ncccc3C(C)C)c3nc(-c4c(O)cccc4F)c(Cl)cc23)[C@@H](C)C1,0,0,1,0
O=C(Nc1nc(-c2ccccc2)cs1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O,1,0,0,0
Cc1cccn2c(=O)c(/C=C(\C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3)nc12,1,0,0,0
C=CCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,0,0,0,0
Cc1cccc(N(C)S(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCOCC4)c(=O)c3c2)c1,0,0,0,0
CN(C)CC1CCC/C(=C/c2ccc(Cl)cc2)C1=O,0,0,0,0
CCCCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-],0,0,0,0
CN1C(=O)/C(=C2\SC(=S)N(CCCCCC(=O)O)C2=O)c2ccccc21,0,0,0,0
COc1ccc(C(=O)C=CC(=O)N(Cc2ccc3c(c2)OCO3)C(C(=O)NC2CCCCC2)c2ccncc2)c(O)c1,1,0,0,0
O=C(O)c1cc(-c2ccccc2)c(N2CCOCC2)s1,0,0,0,0
CN(C)CCNc1ccc2ncn3c4ccc(F)cc4c(=O)c1c23,0,0,0,0
Cc1cc(=O)nc(SCc2ccc(Cl)cc2Cl)[nH]1,0,0,0,0
Clc1ccc(/C=C/c2ncc[nH]2)c(Cl)c1,0,1,0,0
CCOC(=O)c1cnc2c(cnn2CC)c1Nc1ccccc1,0,0,0,0
O=C1c2ccccc2C(=O)N1CCCP(=O)(O)CCc1ccccc1,0,0,0,0
COC(=O)c1ccc(C2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2c2cc(C)on2)cc1,1,0,0,0
CNC(=O)Nc1ccc(-c2nc(N3CCOCC3)nc3c2cnn3C2CCOCC2)cc1,0,0,0,0
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)cc1,0,0,0,0
CCc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccncc4)c12)OC(C)(C)CC3,1,0,0,1
Cc1ccc(CSc2nnc(-c3cccnc3)n2N)cc1,0,0,0,0
CCC(C)C(=O)Nc1nccs1,0,0,0,0
CC(C)[C@@]1(O)COc2cc(F)c(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21,0,0,0,0
COc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1,0,0,0,0
O=C1NN=C(c2ccc3nc(-c4ccccc4F)oc3c2)C2CC12,0,0,0,0
CCc1cc2c(N3CCN(C(=O)CC(F)(F)F)CC3)nc(NC(=O)NCCC(=O)O)nc2s1,0,0,0,0
COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,0,0,0,1
O=C1C2CC=C(Cl)CC2C(=O)N1CC1Cc2ccccc2CO1,0,0,0,0
c1ccc(-c2onc(-c3ccco3)c2-c2ccc3c(c2)OCO3)cc1,0,0,0,0
c1ccc(COCCCOc2ccc([C@H]3[C@H](CSc4ccncc4)CNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0,0,0,0
COc1ccccc1N1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1,0,0,0,0
COC(=O)c1ccccc1C(=O)N1CCCC(C(=O)c2ccc(OC)c(OC)c2)C1,1,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
C=CCSc1nc2ccsc2c(=O)n1-c1cccnc1,0,0,0,0
COc1ccc(-n2nnc(-c3nc(-c4ccccc4C)no3)c2N)cc1Cl,0,0,0,0
CC(=O)C1C(c2ccncc2)NC(=O)NC1(O)C(F)(F)F,0,0,0,0
CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(N3CCN(c4cccc(-c5c(-c6ccc(Cl)cc6)cn(C)c5C(=O)O)c4)CC3)cc2)cc1[N+](=O)[O-],0,0,0,0
Cc1cc(C)n2c(Br)c(CN3CCCC(C)C3)nc2n1,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)F)CC2)c1F,0,0,0,0
CC(C)CCNC(=O)C(CSCc1ccccc1)N1Cc2ccccc2C1=O,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(F)cc3F)c(F)c2)CC1,0,0,0,0
NC1(c2ccc(-c3nc4n(c3-c3ccsc3)COc3cccc(F)c3-4)cc2)CC(O)(C2CC2)C1,0,0,0,0
Cc1ccnc(C)c1C(=O)N1CCC(N2C3CCC2CN(C(c2ccccc2)c2ccccc2)C3)CC1,0,0,0,0
CN(c1ccc(Cl)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
Cc1nccc2c3cnc(Nc4ccc(N5CCC(N(C)C)CC5)cn4)nc3n(C3CCCC3)c12,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2Cl)c1C,0,0,0,0
CC(=O)c1cnc2cc(F)c(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
Cc1cc2sc3ccccc3c(=O)c2c(C)c1O,0,1,0,0
CN(C)c1ccc2ncncc2c1,0,0,0,0
Cc1nn(-c2cc(Cl)cc(CCC(N)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
CCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21,0,0,0,0
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(F)cc2)s1,1,0,0,0
CCOc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,1,0,0,0
CC(C)(C)CNc1cc(N2CCOCC2)ccc1[N+](=O)[O-],0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1C(F)(F)F,0,0,0,0
CCc1cccc2c(C(=O)COC(=O)c3ccccc3)c[nH]c12,0,1,0,0
CN(C)c1ccc(N2CN=C3SCC(=O)N3C2)cc1,0,1,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C,1,0,0,0
NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2C(F)(F)F)cc1)C(=O)O,0,0,0,0
CN(C)c1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CCCCNc2ccc3c(c2)CCS3(=O)=O)CC1,0,0,0,0
N#Cc1ccc(C(c2ccc(C#N)cc2)n2ncnn2)cc1,0,0,0,0
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\c1cccs1,0,0,0,0
CCOC(=O)c1cnc2ccc(C)cc2c1NCCc1ccc(OC)c(OC)c1,0,0,0,0
O=c1[nH]c(C=Cc2ccc([N+](=O)[O-])cc2)c([N+](=O)[O-])c(=O)[nH]1,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3O[C@H](SC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
COc1cncc(-c2ccc3nc(NC(C)=O)nn3c2)c1,0,0,0,0
FC(F)(F)Oc1cccc(-c2cnc3ccc(NCC4CCNCC4)nn23)c1,0,0,0,0
Cc1cc2c(cc1-n1c(N)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C,0,0,0,0
N#Cc1ccc(-c2ccc(C(=O)N(Cc3ccccc3-c3cccc(C#N)c3)c3ccc(N4CCNCC4)cc3)o2)cc1,0,0,0,0
CC(C)CN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1,1,0,0,0
CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c1,0,1,0,0
CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2c(F)c(F)c(F)c(F)c2F)CSSC[C@@H](C(=O)N[C@@H](Cc2c(F)c(F)c(F)c(F)c2F)C(N)=O)NC1=O,0,0,0,1
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCN(C4COC4)CC3(C)C)cc2n1,0,0,0,0
Cc1ncc(C)n2nc(-c3ccn4cc(-c5ccccc5)nc4c3)nc12,0,0,0,0
O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c(Cl)c1,0,0,0,0
Cc1c(Cn2ccnc2)n(CCNS(=O)(=O)c2ccc(F)cc2)c2ccc(CCC(=O)O)cc12,0,0,0,0
c1ccc(-c2nc(NCCN3CCOCC3)c3nc(NCCN4CCOCC4)c(N4CCCC4)nc3n2)cc1,0,0,0,0
CSCCC(NC(=O)c1ccccc1)C(=O)NCc1ccco1,0,0,1,0
CCCCNC(=O)CSc1nc2ccccc2nc1Cc1ccccc1,0,0,0,0
CC(=O)N1CCN(S(=O)(=O)c2c(C)n(C)c(=O)n(C)c2=O)CC1,0,0,0,0
NNC(=O)C12CC3CC(C1)CC(n1ncnn1)(C3)C2,0,0,0,0
CNc1nc2[nH]c(-c3cccc(CNC(C)=O)c3)cc2c2c1ncn2C,0,0,0,0
OC(c1cccc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0,0,0,0
O=C1NCc2c1cc(-c1ccnc(NC3CCCCC3)c1)nc2N1CCNCC1,0,0,0,0
CC(=O)OCC(=CC(=O)O)CCC1C(C)=CC(=O)C2C(C)(C)CCCC12C,0,0,0,0
O=C(O)COc1ccc(S(=O)(=O)N(Cc2ccc(C(F)(F)P(=O)(O)O)cc2)Cc2cccs2)cc1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3cc(C)nc4ncnn34)CC2)cc1,0,0,0,0
N#Cc1ccc2cc1Oc1ccc3c(c1)[C@@H](CCO3)N1CC[C@@H](NCc3cncn3C2)C1=O,0,0,0,0
O[C@H]1[C@@H](CN2CCN(Cc3ccccc3)CC2)CCC1(c1ccccc1)c1ccccc1,0,0,0,0
Cc1nn2c(=O)c3c4c(sc3nc2n1-c1ccccc1)COC(C)(C)C4,0,0,0,0
C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2cn[nH]c2)cc1F,0,0,0,0
CCc1nc(N=C(N)N)nc2ccccc12,0,0,0,0
CC(C)n1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21,0,0,0,1
CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OCC(F)(F)c2sc(C(N)=O)nc2-3)C1=O,0,0,0,0
Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)c1,0,0,0,0
COc1ccc(OC)c(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1,0,0,0,0
CC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)c1,0,0,0,0
S=c1[nH]nc(-c2cccs2)n1N=Cc1cn(-c2ccccc2)nc1-c1cccs1,1,0,0,0
N[C@H]1CCCC[C@H]1Nc1cc2cn[nH]c(=O)c2c(Nc2cccc3cc[nH]c23)n1,0,0,0,0
CSc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,0,0,0,0
CO[C@H]1C(=O)N2C(C(=O)OC(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12,0,0,0,0
CCCCOc1ccc(CNC(=S)NN=Cc2ccc(OC)c(OC)c2)cc1,0,0,0,0
O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccc(F)cc1,1,0,0,0
FC(F)Oc1ccc(C=NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1,0,0,0,0
COc1ccc(C(=O)N2CCN(C(=Nc3cccc4ncccc34)NC#N)CC2c2ccccc2)cc1OC,0,0,0,0
Cc1ccc(S(=O)(=O)NCC(c2cccnc2)N(C)C)cc1,0,0,0,0
O=C(O)/C=C\C(=O)Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,0,0,0,0
CN1C(=O)C(CC2CC2)(c2cccc(-c3cccc(Cl)c3)c2)N=C1N,0,0,0,0
CN(C)S(=O)(=O)Nc1ccc2c(c1)Cc1ccccc1-2,0,1,0,0
O=C(O)c1cc(Cl)c(Cl)cc1C(=O)N1CCCC1,0,0,0,0
c1ccc(Cn2c(-c3ccccc3)nc3nc4ccccc4nc32)cc1,0,0,0,0
O=C(O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1Cl,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1cc(Nc2ccc(C(=O)O)cc2)n2nc(C)nc2n1,0,0,0,0
CCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
COCCCn1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc21,1,0,0,0
COc1ccc(OC(F)(F)F)cc1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1ccc(C(C)(C)C)cc1,0,0,0,0
CC(C)C(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1,0,0,0,0
CCc1n[nH]c(C(=O)N2CCCC(Nc3cccc(F)c3)C2)c1C,0,0,0,0
COc1cc(OCc2csc(C3(F)CCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1,0,0,0,0
Cc1ccc(S(=O)(=O)N2C(c3ccc4c(c3)OCO4)CC=C(C(=O)O)C2c2ccc(Cl)cc2)cc1,0,0,0,0
COc1cccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)c1,0,0,0,0
CCC(CC)(COc1cc(C)c(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cn1)C(=O)O,0,0,0,0
CCCOc1ccccc1N/C(=N\S(=O)(=O)c1ccc(C)cc1)Nc1nc(C)cc(C)n1,0,0,0,0
O=C(CCCCl)NC(=S)Nc1ccc(N2CCOCC2)cc1,0,0,0,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](O)(CN(C)Cc3ccc(-c4cn(CCCCC(=O)NO)nn4)cc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCC(CN2CCCC2)CC1,0,0,0,0
CC(C)[C@@H]1CN(CCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1,0,0,0,0
CN(C)[C@H]1CCN(C(=O)C[C@@H]2C(=O)NC=CN2S(=O)(=O)c2cccc(Cl)c2Cl)C1,0,0,0,0
O=C(c1cccc(-c2cc(CCc3n[nH]c(=O)c4c3CCCC4)ccc2F)c1)N1CCOCC1,0,0,0,0
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(Br)o1,0,1,0,0
COCC(=O)N1Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CC1C,0,0,0,0
CC(C)(C)OCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
CC(C)(C)c1nc(NCC(F)(F)CO)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1,0,0,0,0
COc1cc(C)c2nc3n[nH]c(C)c3c(NC3CCNCC3)c2c1,0,0,0,0
CC(C)c1cc(CNc2nc(Nc3cc(C4CC4)[nH]n3)cc(N3CCOCC3)n2)on1,0,0,0,0
O=C1NCC2c3c(cccc31)CCN2C(=O)c1ccc(C(=O)N2CCCNCC2)cc1,0,0,0,0
CN(CCO)Cc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
C=CCN1C(=O)C(=Cc2cc(C)n(-c3ccccn3)c2C)C(=O)NC1=S,0,0,0,0
CC1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)N2Cc3ccccc3CC2C(N)=O)c1,1,0,0,0
Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3cnccc3=O)c2F)cn1,0,0,0,0
NCCN[C@@H](Cc1cn(CCc2ccccc2)cn1)C(=O)O,0,0,0,0
CCOC(=O)CSc1nc(C(C)C)nc2ccccc12,0,0,0,0
COc1ccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2)cc1,0,0,0,0
CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2cccc(F)c2)CSSC[C@@H](C(=O)N[C@@H](Cc2cccc(F)c2)C(N)=O)NC1=O,0,0,0,1
COc1ccccc1CNC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O,1,0,0,0
O=C(c1ccccc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1,0,0,0,0
CS(=O)(=O)Nc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc([C@@H](O)C(F)F)cc2)c1,0,0,0,0
Cn1c(Oc2ccc3c(c2)OCO3)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,0,0,0,0
CN(C)C(=O)c1ccccc1-c1ccnc2c1c(/C=C1\Oc3cccc(O)c3C1=O)cn2C,0,0,0,0
CN(CCOc1ccc(-c2ccccc2Cl)cc1C(=O)c1cccs1)CC(=O)O,0,0,0,0
N#Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)CS(=O)(=O)C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O,0,0,0,0
CC(C)Nc1nc(-c2ccc(CN3CCCC3)nc2)cc2ncn(C)c(=O)c12,0,0,0,0
C=CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,1,0,0,0
O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1N1CCN(c2ccccc2)CC1,1,0,0,0
CCCCn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,0,1,0,0
COCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(C2)C(F)(F)C(C4)C3)cc1F,0,0,0,0
CSc1ccccc1C(=O)N1CCN(c2ncccn2)CC1,0,0,0,0
c1ccc(NC2=NCCS2)cc1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC(F)(F)F)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(N(C)C)cc1,0,0,0,0
COc1ccc(-c2c(F)cc(C(=O)O)cc2F)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
COCCN(C(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,1,0,0,0
Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccc(N4CCC5(CC4)OCCCO5)n3)c2F)cn1,0,0,0,0
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2ccc(C(=O)O)cc2)CC1,0,0,0,0
COC(=O)C1C(=O)C2=C(CC1C)Nc1ccccc1NC2c1ccc(C)s1,0,0,0,0
CC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1,1,0,0,0
O=C1C(=O)c2ccc(-c3ccccc3)cc2-c2ccccc21,1,0,0,0
Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCC(C)CC3)ccc12,0,0,0,0
Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2C1CCc2ccccc2C1,0,0,0,0
COc1cc2[nH]c(-c3cccc(F)c3)cc(=O)c2cc1OC,0,0,0,0
CC12C(=O)Nc3ccc(Br)cc3C(=O)N1C1c3cc(Br)ccc3OCC1C2c1ccccc1,0,0,0,0
N#Cc1c(C2CCCCCC2)n(C2CCCCCC2)c2c(N3CCN(Cc4ccccc4)CC3)ncnc12,0,0,0,0
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@@H](CNS(C)(=O)=O)C3)c2[nH]1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OC(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
Oc1cccc(-n2cnnc2-c2cccc(-c3ccccc3)c2)c1,0,0,0,0
CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O,0,0,0,0
O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(CSc2ccccc2)s1,1,0,0,0
COc1ccc(Cc2nnc(NC(C)=O)s2)cc1,0,0,0,0
Cc1ccc(NC2=NC(=O)NC(=O)C2)c(C)c1,0,0,0,0
C=CC(=O)N1CCC(Oc2nc(Nc3cnn(C)c3)nc3ccsc23)CC1,0,0,1,0
O=c1c2cc3c(cc2nc2sc(Nc4ccccc4)nn12)OCO3,0,1,0,0
CCOc1ccccc1CNc1ccc(N2CCOCC2)c(C(=O)O)c1,0,0,0,0
ON=Cc1ccc2noc(-c3ccc(Cl)cc3)c2c1,0,0,0,0
Cc1c(O)[nH]c2ncccc2c1=O,0,0,0,0
O=[N+]([O-])c1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1,0,0,0,0
CCOc1cc2[nH]c(=S)n(CCCN(CC)CC)c(=O)c2cc1OCC,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2c(F)cc(F)cc2o1,0,0,0,1
COC(=O)C(C)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O,0,1,0,0
CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2C)CC1,0,0,0,0
COc1ccc(-c2nnnn2C)cc1S(=O)(=O)Nc1ccc(C)cc1C,0,0,0,0
Cc1ccc(C)c(CN2C(=O)C(=O)c3ccccc32)c1,0,0,0,0
CNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C#CCO)cn23)cc1C,0,0,0,0
CC1CCC(NC(=O)CCS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1,0,0,0,0
O=C(CCc1nc2ccccc2[nH]1)NC1CCCCC1,1,0,0,0
COCCOc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)n1,0,0,0,0
O=c1[nH]c2c(c3ccccc13)CN(S(=O)(=O)CCN1CCC(N3CCCC3)CC1)CC2,0,0,0,0
COC(=O)c1cc2c([nH]c3cccc(N)c32)c2[nH]ccc12,0,0,0,0
CCCOc1ncnc(N2CC(c3ccc([C@H](C)NC(C)=O)cc3)C2)c1Cl,0,0,0,0
CC(C)[C@H](CO)NCc1nc(-c2cccc(N3CCCC3)c2)ccc1F,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3cncc(CN4CCOCC4)c3)n2)cnc1N1CC[C@H](F)C1,0,0,0,0
Cc1n[nH]c(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12,0,0,0,0
COc1ccc(-c2c[nH]nc2-c2ccc(O)cc2O)cc1,0,0,0,0
CCCSc1nc(N(CC)CC)c2cnn(CC(Cl)c3ccccc3)c2n1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C(C)(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC1CCN(CCCCCCCOc2cccc(Cl)c2)CC1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)CN2C(=O)NC(C)(c3ccc(C)cc3)C2=O)c1C,1,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCC#N)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Nc1ncnc2c1c(I)cn2[C@@H]1OC2(CC2)[C@@H](O)[C@H]1O,0,0,0,0
Cn1cc(-c2ccc3c(c2)[C@@H]2CCCN(C(=O)c4ccc5nc[nH]c5c4)[C@@H]2C3)cn1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0,0,0
COc1ccc(/C=N/N=C2/NC(=O)C(c3ccccc3)(c3ccccc3)S2)cc1,1,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCc2ccccc21,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,1,0,0,0
CCn1cc(C(=O)Nc2cc3c(cc2NC(C)=O)OCCO3)c(=O)c2ccc(C)nc21,1,0,0,0
CC(Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1CCC(C(N)=O)CC1,1,0,0,0
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)on1,0,0,0,0
N#Cc1cccc(-c2ccc(S(=O)(=O)CCOc3ccc4ccccc4c3C(=O)NO)cc2)c1,0,0,0,0
Oc1ccccc1CN(Cc1ccco1)CC(O)COCc1ccc(Cl)cc1,0,0,0,0
CN(C)c1ncc(-c2ccccc2C2CCCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)C2)cn1,0,0,0,0
COc1ccccc1-n1c(C)cc(SC)c(C(C)=O)c1=S,0,0,0,0
COc1cccc(Nc2ncc3nc(-c4ccc(Cl)cc4)c(=O)n(CCC#N)c3n2)c1,0,0,0,0
CCOc1ccc(-n2c(CC)nc3ccccc3c2=O)cc1,1,0,0,0
COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(F)cc4)c3C)no2)cc1OC,1,0,0,0
O=C(OCc1cc(=O)n2nc(C3CC3)sc2n1)c1ccccc1Cl,0,1,0,0
O=C(COc1ccc2ccc(=O)oc2c1)Nc1ccc2c(c1)OCCO2,0,1,0,0
CN(C)c1ccc2c(c1)N=C(c1ccco1)OP2(=S)N1CCOCC1,0,1,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCCO)ncc23)ccn1,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(I)cc1-c1cccc(CN2CCC2)c1,0,0,0,0
CN(C)Cc1ccccc1-c1cncnc1Nc1ccncc1,0,0,0,0
O=c1c2c(-c3ccccc3)csc2ncn1N=Cc1c2ccccc2cc2ccccc12,1,0,0,0
NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOc2ccccc21,0,0,0,0
O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1C[C@H]1CCCO1,0,0,0,0
CC1CCCC(C)N1C(=O)c1ccc(C(=C2C[C@H]3CC[C@@H](C2)N3CCc2ccccc2)c2ccccc2)cc1,0,0,0,0
Cc1[nH]c(-c2ccccc2)nc(=O)c1Oc1ccc(Cl)cc1Cl,0,0,0,0
Clc1ccc2c(c1)N=C1CCCCCN1C2,0,0,0,0
CCCCC1CN(CC2CCOCC2)C(=O)OC12CCN(C1CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0
Cc1ccc(NC(=O)CCn2nnc3ccccc32)c(C)c1,1,0,0,0
CCCCc1nc2ccn(Cc3ccccc3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)CC1,1,0,0,0
CC(=O)N1c2ccccc2N(Cc2ccc([N+](=O)[O-])cc2)C(=O)C1(C)C,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1,0,0,0,0
COc1ccc(/C=C/C(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1,1,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cncc(-c4noc(C(N)=O)n4)c3)NC(=O)NC1=O)C2,0,0,0,0
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCSc2ccccn2)cc1,1,0,0,0
CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NCc2ccccc2CN2CCOCC2)c1,1,0,0,0
CC1(C)CN(c2ncc(C#N)cn2)CC[C@H]1Nc1c(C(N)=O)cnn2cc(N3CCC(CCCC(=O)O)C3=O)cc12,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3F)c(F)c2)CC1,0,0,0,0
COc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1,0,0,0,0
CCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)cc1,1,0,0,0
Cc1ccccc1-c1cnc(N(C)C)nc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O,0,0,0,0
COc1ccc(-n2cc(C(=O)O)c(=O)cc2C)cc1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1,1,0,0,0
COc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccc(Br)cc1,0,1,0,0
COCCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C,0,0,0,0
CN1/C(=C\C(=S)Nc2ccccc2)C(C)(C)c2ccccc21,0,0,0,0
COc1cc(C=NNC(=S)Nc2cccc(C(=O)O)c2)cc(OC)c1OC,0,0,0,0
Cc1ccc2[nH]c(=O)c(CN(C(=O)c3cccs3)c3ccccc3)cc2c1,0,0,0,0
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3cc(I)ccc3o2)CC1,0,0,0,1
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)OC)n(C)c1,0,0,0,0
Cc1ccc(OCCNCCCOc2ccc(F)cc2)cc1,0,0,0,0
Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)N2CCOCC2)c1,1,0,0,0
COc1cc(C)c2[nH]ccc2c1C(C)(C)c1nc2ncc(C#N)cc2[nH]1,0,0,0,0
CN1CC(C2=NCCN2)Oc2ccc(Cl)cc21,0,0,0,0
CC(=O)N(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(OC(C)C)c(C#N)cn1)CCC2)C(C)C,0,0,1,0
N#Cc1c(N2CCCC2)nc(N)c2c(N)nc(N3CCCC3)cc12,1,0,0,1
C/C(=N/N=C1\SCC(=O)N1c1ccccc1)c1ccc(C)cc1,0,0,0,0
CCCOC(=O)C1=C(C)NC(=O)NC1c1cccc2ccccc12,0,0,0,0
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cnccn2)CC1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1,0,0,1,0
CCOC(=O)c1c(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2cccs2)N3)sc(C)c1C,1,0,0,0
CC(=O)NCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
CC(=O)N1CCOc2ccc(S(=O)(=O)NC(C)c3ccccc3)cc21,0,0,0,0
CC1C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2NC1=O,0,0,0,0
CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1,0,0,0,0
COc1cc(C(F)(F)F)c(-c2ccc(C(=O)O)cc2Cl)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
COCc1cc(=O)[nH]c(-c2csc(C)n2)n1,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)c1,1,0,0,0
Oc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1,0,0,0,0
Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
O=C(Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1)c1ccccc1,0,1,0,0
O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)cs1,1,1,0,0
COc1ccc(C2=NCCn3nc4ccccc4c32)cc1,0,0,0,0
COc1cc(CO)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCCN(Cc2ccccc2)CC1,0,0,0,0
CN[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)c(F)c3)n2)[C@H](C#N)C1,0,0,0,0
Oc1ccc2c(c1)CCN(Cc1ccccc1)C2c1ccc(OCCN2CCCC2)cc1,0,0,0,0
N#CCOc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1,0,0,0,0
Cc1nn(-c2ccccc2)c(C)c1-c1nnc(-c2c(C)nn(-c3ccccc3)c2C)o1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2c(C(=O)N[C@@H](C)C(C)(C)C)c(C)nn2C2CCOC2)cc1,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCCOC)ccn2)cc1,0,0,0,0
CC(C)Cc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
OC(Cn1ccnc1)c1ccc(Cl)cc1Cl,0,0,0,0
CC1CCCCN1C(=O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21,0,0,0,0
CCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12,0,0,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C(F)(F)F)C4)ncn3)c2c1,0,0,0,0
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC3CN(c4nc(C)cc(C)n4)C3C2)c1,0,0,0,0
CC1(C)O[C@@H]2[C@@H](CO[C@@]3(CNC(=S)Nc4ccc(S(=O)(=O)NCc5ccc(S(N)(=O)=O)cc5)cc4F)OC(C)(C)O[C@@H]23)O1,0,0,0,1
COc1ccc(CN(C(=O)c2ccc(-c3ccccc3)[nH]2)C(C(=O)NC(C)(C)C)c2ccncc2)cc1,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCC(C)CC4)C3)c(C)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
N#Cc1cccc(CN(c2ccc3[nH]ccc3c2)C2CCNCC2)c1,0,0,0,1
CC(C)CNc1nc(C#N)nc(N2CCOCC2)c1N,0,0,0,0
O=C(CCN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1,0,1,0,0
NC(=O)c1ccc2nc(-c3ccc(OC4CCC(O)CC4)cc3)[nH]c2c1,0,0,0,0
CCCN(C(=O)CSc1n[nH]c(-c2ccc(OC)cc2)n1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,1,0,0
CCN(CCCNC(=O)CN(C)S(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(C)c1,1,0,0,0
NNc1nc(-c2ccccc2)cc(-c2ccccc2O)n1,1,0,0,0
CC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1,0,0,0,0
CCCCC(=O)Nc1ccc(N2CCCC2)cc1,0,0,0,0
CC1Sc2ccc(S(=O)(=O)NCCc3ccc(Cl)cc3)cc2NC1=O,1,0,0,0
CCc1ccc(-n2cnc3c(sc4nccc(N5CCC5)c43)c2=O)cc1,0,0,0,0
Fc1ccc(NCc2nnc(SCc3nnc(-c4ccccc4)o3)n2CC2CCCO2)cc1,0,0,0,0
COC(=O)c1c(SCc2ccc(C#N)cc2)nc(=O)[nH]c1C,0,0,0,0
CCCc1cc(OC)cc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12,0,0,0,0
CC(=O)c1sc2nc(CSc3nncn3C)[nH]c(=O)c2c1C,0,0,0,0
CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,0,0,0,0
c1ccc(Nc2nc(NCCc3ccncc3)nc(Nc3ccccc3)n2)cc1,0,0,0,0
N#Cc1ccc(C(c2ccc(C#N)cc2)n2cncn2)cc1,0,0,0,0
Cc1ccc(C(=O)n2c(=S)nc3ccccn32)cc1,0,1,0,0
O=C1CCCC(=O)C1C(C#Cc1ccccc1)C1C(=O)CCCC1=O,0,0,0,0
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](CO)NC3CCCC3)c2=O)c1Cl,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1,0,1,0,0
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)N3CC(=O)Nc4ccccc43)c2)CC1,0,0,0,0
Nc1ncnc2c1ncn2C1O[C@@H](CSSC[C@H]2OC(n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@H](O)[C@@H]1O,0,0,1,0
O=C(c1ccco1)N1CCCN(Cc2nc(Cc3ccccc3)no2)CC1,0,0,0,0
Cn1c(=O)c2c(nc(CN3CCN(C(=O)c4ccco4)CC3)n2CCCc2ccccc2)n(C)c1=O,1,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc4ccccc4c3)c2=O)cc1,0,0,0,0
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(-n4ccnc4)cc3)ncc2[N+](=O)[O-])c1,0,0,0,0
Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1CC(F)(F)F,0,1,0,0
CCCCCCCCCCCCCCCCCCNc1ccn(C2OC(COP(=O)(O)OCC3OC(n4cc(F)c(=O)[nH]c4=O)CC3O)C(O)C2O)c(=O)n1,0,0,0,0
Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)c(C)c1,1,0,0,0
Cc1ccc(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)c(C)c1,0,0,0,0
CCOC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,1,0,0,0
CCN(CC)c1ccc(C=NCCNS(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
O=C(N[C@H]1CCCN2c3c(Cl)cccc3Oc3ccccc3[C@H]12)C(F)(F)F,0,0,0,0
Cc1cccc(NC2=NC(=O)NC(=O)C2)c1C,0,0,0,0
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC1OC(COC(=O)CC(C)(O)CC(=O)O)C(O)C(O)C1O,0,0,0,0
O=C(Nc1ccc(F)cc1)n1ccnc1,0,0,1,0
CC(C)CN(Cc1ccc(N2CCN(C3COC3)CC2)cc1)S(=O)(=O)Cc1ccccc1,0,0,0,0
N#Cc1c(N)nc(SC2CCCCC2=O)c(C#N)c1-c1ccco1,0,0,0,0
CSc1ccc(C2CN(C)Cc3cc(Oc4cncc(CN5CCCCC5)c4)ccc32)cc1,0,0,0,0
CCCNC(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1,0,0,0,0
O=C(O)c1cc2ccc(OCc3ccc(Cl)c(Cl)c3)cc2oc1=O,0,0,0,0
Cc1cccc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)n1,0,0,0,0
COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccccc3OC)cc2c1,1,0,0,0
O=C(NCCc1ccc(Cl)cc1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,1,0,0,0
Cc1cc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1,1,0,0,0
CCCCN(CC)c1nc(-c2ccccc2F)nc2ccccc12,0,0,0,0
C/C(=C\[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)[N+](=O)[O-],0,0,1,0
COc1ccc(S(=O)(=O)Nc2ccc(-c3cncc4ccccc34)c(OC)c2)cc1,0,0,0,0
Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccco4)c3)nc2c1,1,1,0,0
Cc1cccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)c1,0,0,0,0
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(F)c(F)c1F,0,0,0,0
CCCn1cnc2sc(CC)cc2c1=O,0,0,0,0
N#C[C@@H]1CCN(Cc2cc(F)ccn2)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CCOC(=O)c1sc2nc(-c3cccnc3)ccc2c1N,0,1,0,0
COc1cc(C(=O)NCC(C)(C)CNC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,1,0,0,0
COc1cccc(CN2CCNCC2)c1,0,0,0,0
CCOC(=O)c1csc(-c2ccc3c(c2)CCO3)n1,0,1,0,0
CCOc1ccc(C2NC(=O)C(C#N)C(=S)N2c2cccc(C)c2)cc1OC,0,0,0,0
Cc1cc(O)c(/C=N/c2ccccn2)c(=O)o1,0,0,0,0
CC(C)Oc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0,0,0
Oc1ccc(N=Nc2ccc3c(c2)OCCO3)c2ncccc12,0,1,0,0
N#Cc1cncc(-c2cccc(OCCN3CCCC3)c2)c1Nc1cccc2[nH]ccc12,0,0,0,0
CC(C)COP(=O)(OCC(C)C)C(Nc1ccccc1)c1ccc(F)cc1,1,0,0,0
O=C(Nc1ccc2c(c1)CCC2)c1ccc(F)cc1,0,1,0,0
O=S(=O)(NCCOc1ccc(F)cc1)c1ccc2c(c1)OCCO2,0,0,0,0
CC(C)CCC(=O)N(C)Cc1ccccc1-c1ccc(CN2C[C@@H](C)N[C@@H](C)C2)cc1,0,0,0,0
CCC(=O)N[C@@H]1c2cncc(-c3ccc(C(F)(F)F)cc3)c2CC[C@@H]1C,0,0,0,0
CC(C)(C)c1ccc(CSc2nc(=O)cc(N)[nH]2)cc1,0,0,0,0
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(C)cc3)[nH]c2c1,0,0,0,0
Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,0,0,0,0
CCn1nc(C)c(Br)c1Nc1ccc(Br)cc1,0,0,0,0
Cc1scc(C(=O)O)c1-c1c(C(=O)O)csc1C,0,0,0,0
COC(=O)C1=C(C)NC(=Cc2cccc(OC)c2O)C1=O,0,0,0,0
CCOC(=O)c1c(NC(=O)C2C=NN3C2=NC(c2cccc(OC)c2)CC3C(F)(F)F)sc2c1CCCC2,1,0,0,0
CCOc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1,0,0,0,0
C=CCn1c(NCCO)nc2sc3c(c2c1=O)CCC3,0,0,0,0
C#CCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1,0,0,0,0
CCCn1nnc(NC(=S)NC(=O)C(C)(C)C)n1,0,0,0,0
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(C(F)(F)F)c1,0,0,0,0
CCCCCC(=O)Nc1ccccc1N1CCOCC1,0,0,0,0
CC(C)C1(C)SC(=N[C@@H](C)c2ccccc2Br)NC1=O,0,0,0,0
Cc1cc(N2N=C(c3ccc(C(=O)O)cc3)CC2c2ccc(F)cc2)ccc1C#N,0,0,0,0
CC1=C(C(=O)NCc2ccc(Cl)cc2)C2(CCCCC2)OC1=O,0,0,0,0
COc1cccc(COC(=O)c2ccc(-c3nnn(Cc4cccc(OC)c4)n3)cc2)c1,0,0,0,0
O=C(c1ccco1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1,0,0,0,0
Cc1cc(N)c2cc(Nc3nc(N)nc(Nc4ccc5nc(C)cc(N)c5c4)n3)ccc2n1,0,0,0,0
CCOC(=O)C(=NNc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CCN(CC)CC1(c2ccc(Cl)c(Cl)c2)CCCCC1,0,0,0,0
CC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C,0,0,0,0
COc1ccc(C(C2Sc3nc(C)nn3C2=O)N2CCC(C(N)=O)CC2)cc1OC,0,0,0,0
COc1ccccc1CCNC(=O)c1ccc(Br)s1,0,1,0,0
COc1cnc(N2CCOc3cc(S(=O)(=O)Nc4nccs4)ccc32)c(OC)c1,0,0,0,0
CN(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1,1,0,0,0
COc1c(F)ccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COc1ccc(-c2cc(OC(=O)c3ccccc3Cl)c3c(C)oc(C)c3c(=O)c2)cc1OC,0,0,0,0
Cc1cc(C(=O)N/N=C/c2ccc(N3CCOCC3)cc2)c(C)o1,0,1,0,0
CCN(CC)Cc1c(-c2ccccc2)[nH]c2ccc(C)cc2c1=O,0,0,0,0
CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc2ccc(OP(=O)(O)O)cc2)NC1=O,0,0,0,0
CN1CCN(Cc2ccc(Cc3cc4cnc(C#N)nc4n3C3CCCCC3)cc2)CC1,0,0,0,0
Cc1ccc(-c2cn(-c3ccccc3)c3[n+]2CCCS3)cc1,0,0,0,0
O=C(c1cnc(Oc2ccc3c(c2)CCC(c2ccccc2)O3)s1)N1CC[C@@H](O)C1,0,0,0,0
NC(=O)c1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1,0,0,0,0
CS(=O)(=O)c1cc(F)cc2c1c(Sc1ccc3ccccc3c1)c1n2CCC1CC(=O)O,0,0,0,0
CC=CCCC1Cc2cc(O)c(CCCC)c(O)c2C(=O)O1,0,0,0,0
Cc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(O)c2c1,0,0,0,0
CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCCN1CCOCC1,0,0,0,0
CCn1c(-c2ccco2)n[nH]c1=S,0,0,0,0
COc1ccc(-c2nc3n(c2C)Cc2ccccc2-3)cc1,0,1,0,0
CS(=O)(=O)Nc1ccc2ccc3ncc(-c4cccc(Cl)c4)cc3c(=O)c2c1,0,0,0,0
CC1=C(C(=O)OCC(Br)(Br)Br)C(c2cccc([N+](=O)[O-])c2)NC(=O)N1CCCC(=O)O,0,0,0,1
COc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2,0,0,0,0
Cc1nc(-n2cnnn2)ccc1CC(=O)N1CCN2C[C@@H](c3ccc4c(c3)CCOC4=O)OCC2C1,0,0,0,0
COc1ccc2c(c1)nc(N1CCN(Cc3ccc(F)cc3)CC1)c1cccn12,0,0,0,0
COC(=O)CC1SC(=O)N=C1Nc1cccc(C)c1,0,0,0,0
CCc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,0,0,0,0
CCOC(=O)Oc1ccc(C=C2N=C(C)OC2=O)cc1,0,0,0,0
O=S(=O)(NCCO)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
O=C1NCc2ccc3c(c21)CC(N(CCCc1c[nH]c2ccc(F)cc12)C(=O)c1ccccc1)CO3,0,0,0,0
[O-][S+](CCCN1CCc2ccccc2C1)c1ccc(F)cc1,0,0,0,0
NC(=O)c1nc(Nc2ccc3ccccc3c2)sc1NC(=O)C#CCO,0,0,0,0
Clc1ccc2nc(N3CCCCC3)sc2c1,0,1,0,0
CCCC1(C(=O)O)NC(c2cccc(OC)c2O)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
Cc1c(NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2o1,0,1,0,0
O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1cccc(C(F)(F)F)c1,0,0,0,0
O=C(c1ccc2nccnc2c1)N1CCCCC1,0,0,0,0
O=C(c1c[nH]c2c1ccc1c3ccccc3[nH]c12)C(F)(F)F,0,0,0,0
CSc1nc(-c2ccc(C)cc2C)c2c(C#N)c[nH]c2n1,0,0,0,0
N#CC(C#N)=C1C=C2C=C(N3CCOCC3)CCC2CC1,0,0,0,1
CCOC(=O)CCCCCC(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)OCCCC[C@@H](C)O2,0,0,0,0
Cc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3C3(C)C(=O)N(c4cccc(F)c4)C(=O)N23)c1,1,0,0,0
COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1,0,1,0,0
Cc1nccn2nc(-c3ccn4c(C)c(-c5ccccc5)nc4c3)nc12,0,0,0,0
Cc1occc1-c1nnc(SCc2cc(=O)n3cc(Br)ccc3n2)n1C,0,0,0,0
O=C(O)Cn1nnc(-c2cnc(N3CCC4(CC3)Cc3cccc(Cl)c3C(=O)O4)s2)n1,0,0,0,0
COc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12,0,0,1,0
CCCCn1c2ccc(C)cc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
CCCCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCCCC)ccc5n5c4c1n2C1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,0,0,0,0
COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2/C=C/C(=O)O)cc1,0,0,0,0
CCCN(CCC)C1Cc2cccc3ncc(=O)n(c23)C1,0,0,0,0
Cc1c(C)c2ccc(OS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2oc1=O,0,0,0,0
O=C1c2c(C(F)(F)F)ccc(Cl)c2[C@@H]2CNCCN12,0,0,0,0
CCN(CC)CCC#CC1(O)c2ccccc2-c2ccccc21,0,0,0,0
CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(Cl)cc4C)C3)n2)c1,0,0,0,0
CN(C)c1ncc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,0,0,0,0
CC(C)C(=O)NCc1cc(-c2ccc(Cl)cc2)no1,0,0,0,0
Cc1[nH]cnc1CN1CCN(c2ccccc2)C1=O,0,0,0,0
O=C(CCCC(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1,1,0,0,0
CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@H](NC(=O)[C@@H](N)Cc3ccc(O)cc3)CSSC[C@@H](C(=O)O)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1,0,0,0,1
O=S(=O)(c1ccc(-c2ccon2)s1)N1CCN(CCN2CCOCC2)CC1,1,0,0,0
CCn1c(=O)c2c(nc(NC3CCCCC3)n2Cc2ccc3c(c2)OCO3)n(CC)c1=O,0,0,0,0
O=c1c2c3c(sc2n(CCN2CCCC2)c(=O)n1Cc1ccccc1)CCCCC3,0,0,0,0
O=C(Nc1nnc(CCS(=O)(=O)c2ccc3ccccc3c2)s1)c1cccs1,1,0,0,0
COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1ncc(Cl)c(Nc2ccccc2P(C)(C)=O)n1,0,0,1,0
O=C(O)c1ccc(Cn2cc(C=C[N+](=O)[O-])c3ccccc32)o1,0,0,0,1
O=C1NC(c2ccccc2)C(C(=O)c2cccs2)=C1O,0,0,0,0
CN1C2CCC1C1COC(=O)CCCCCCCCCCC(=O)Nc3ccc(cc3)C1C2,0,0,0,0
Cc1cccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1C,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CCC1(CCCCN2CCN(c3cccc(F)c3)CC2)C(=O)Nc2ccccc21,0,0,0,0
O=C1NC(=S)N(c2ccccc2F)C(=O)/C1=C\c1cccs1,0,0,0,0
CCC(=O)N1CCCc2cc(S(=O)(=O)N3CC=C(c4ccccc4)CC3)ccc21,1,0,0,0
C=CCn1c(-c2ccc(OC)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
NC1CCc2ccc(CNS(=O)(=O)c3cccnc3)cc2C1Cc1ccccc1,0,0,0,0
CC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1,0,0,0,0
CCn1cnc2c1c(=O)n(CC(=O)NN)c(=O)n2Cc1ccccc1,0,0,0,0
CCC(Nc1ncnc2nc[nH]c12)c1cc2ccccc2c(=O)n1-c1ccccc1,0,0,0,0
CN[C@]1(c2ccccc2Cl)CCCCC1=O,0,0,0,0
CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1,0,0,0,0
CC[C@H](CC(=O)O)n1c(=O)c2ccncc2n(Cc2cn(C)c3cccc(C)c23)c1=O,0,0,0,0
Cc1ccc(-c2csc(Nc3ccc(S(N)(=O)=O)cc3)n2)o1,0,0,0,1
Cc1ccccc1N=C(S)NCc1ccc2[nH]c3c(c2c1)CCCC3,1,0,0,0
Cc1cc(C)c2c(Cn3c(=O)n(C(CC(=O)O)C4CC4)c(=O)c4ncccc43)cn(C)c2c1,0,0,0,0
COc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2)cc1,0,0,0,0
CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2c(Cl)cccc2Cl)cc1)C(=O)O,0,0,0,0
CNS(=O)(=O)c1ccc(OC)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)NCCCCCCCC(=O)NO)cc3)nc2c(=O)[nH]1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](O)(C(F)(F)F)CO3)C1=O,0,0,0,0
CC(C)CC(=O)C1C(=O)C(=O)N(c2ccc(SC(F)(F)F)cc2)C1c1ccccc1OC(C)C,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(O)c4)cc32)cc1C,0,0,0,0
COc1ccc(-c2nc(N3CCOCC3)c3nc(CN(C)c4ncc(C(=O)NO)cn4)n(C)c3n2)cn1,0,0,0,1
COC1CCN(C(=O)c2ccc3cc(OCCCN4CCCCC4)ccc3c2)CC1,0,0,0,0
CSc1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
CNS(=O)(=O)C[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
CSc1nc(-c2ccnc(NC3CCC(C)CC3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
COc1ccc(-c2cc(=O)n3ncnc3[nH]2)cc1,0,0,0,0
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1,0,0,0,0
Cc1csc(SCC(=O)Nc2ccc3c(c2)OCCO3)n1,0,1,0,0
OC1(C(F)(F)F)c2ccccc2-c2c(-c3cn[nH]c3)cccc21,0,0,0,0
CC(C)(C)CNC(=O)C1(C)CCCC2(C)C3CCC4(C)CC3(CCC12)CC4=O,1,0,0,0
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1ccc(O)cc1O,0,1,0,0
COCCCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1,1,0,0,0
O=C1CN(S(=O)(=O)c2ccccc2)c2ccccc2N1,0,0,0,0
Fc1ccc(NC(=S)N/N=C/c2ccc(F)c(F)c2)c(F)c1,1,0,0,0
CCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12,0,0,0,0
COC(=O)c1ccc(NC(c2ccc(Cl)cc2)P(=O)(OC)OC)cc1,1,1,0,0
Cc1nn(C)c(C)c1-c1ccc(-c2[nH]c3ccncc3c(=O)c2C#N)cc1,0,0,0,0
Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2ccc3c(c2)C(=O)CC3)c2cc[nH]c2c1=O,0,0,0,0
COc1ccc(C2C(C#N)C(=S)NC(C)(O)C2[n+]2ccccc2)cc1,0,0,0,0
COCCn1nnnc1C1(N(Cc2cc3cc(C)ccc3[nH]c2=O)CC2CCCO2)CCN(C)CC1,1,0,0,0
Nc1nc(CSc2nnc(-c3ccccc3)[nH]2)nc(Nc2ccccc2)n1,0,0,0,0
O=[N+]([O-])c1ccccc1Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)CC(O)C(F)(F)F)c1,0,0,0,0
OC1(c2cccs2)CN(c2ccc(Cl)cc2)C2=[N+]1CCCC2,0,0,0,0
Cc1ccc2[nH]c3c(=S)nc[nH]c3c2c1,0,0,0,0
COc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)OCC2CCCN3CCCCC23)cc1OC,0,0,0,0
Cc1cc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)cc4)c3n2)ncc1F,0,0,0,0
COc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(c2Cl)SCC3)cc1,0,0,0,0
CN(C(=O)C(F)(F)F)[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12,0,0,0,0
OCCn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccc(C)cc1,0,0,0,0
O=C(O[C@H]1C[N+]2(CCOc3ccccc3)CCC1CC2)C1(C2=CC=CC2)CCCCCC1,0,0,0,0
COc1ccc(-c2ccc3c(n2)CCCN3C[C@H](O)CN2CCCc3nc(-c4ccc(Br)cc4)ccc32)cc1,0,0,0,0
Cc1ccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)cc1,0,0,0,0
CNC(=O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2C(F)(F)F)CC1,0,0,0,0
O=C1C(c2ccc(F)cc2)N(CCc2ccccc2)C(=O)CN1C1CCCCCC1,0,0,0,0
COc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
CCCn1ncc(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C,0,0,0,0
Cc1ccc(CC(=O)N/N=C/c2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,1,0,0,0
O=C(COc1ccc(Cl)cc1)NN=Cc1ccccc1O,1,0,0,0
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)N1CCN(c2ccccc2)CC1,1,0,0,0
CCc1ccc2nc(N3CCC(C(=O)NCCC(C)C)CC3)sc2c1,1,1,0,0
Nc1ncnc2c1c(C(=O)c1cccc(NS(=O)(=O)c3c(F)cccc3F)c1)cn2C1CCCC1,0,0,0,1
O=C(c1ccc2c(c1)OCO2)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0,0,0
O=C(c1ccc(F)cc1)n1c(=S)nc2ccccn21,0,1,0,0
CCN1CCN(Cc2ccccc2C)CC1,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(C(=O)N(C)C)CC2C,0,0,0,0
COC(=O)CNC(=O)Cn1c(=O)n(Cc2ccc(F)cc2)c(=O)c2sccc21,0,0,0,0
N#Cc1ccc(-n2c(=O)n(Cc3ccccc3)c3ncccc32)cc1C(F)(F)F,0,0,0,0
CCc1cc2c(N3CCCCC3)ncnc2s1.Cl,0,0,0,0
CN(Cc1ccccc1)CC(O)COc1ccc(CNCc2ccc(Cl)s2)cc1,0,0,0,0
O=C1C(=CN(C(=O)c2ccco2)c2ccc(Br)cc2)Sc2ccccc21,0,0,0,0
COC1CCCC(c2ncc(Cl)c(N3CC[C@@H](Oc4ccc([C@H](C)NC(C)=O)cc4)C3)n2)C1,0,0,0,0
O=C(O)c1coc(Cc2cc(Cl)ccc2OCc2ccccc2)n1,0,0,0,0
CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CCN(CCCS(C)(=O)=O)CC3)c(F)c2)cn1,0,0,0,0
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(OC(F)(F)F)cc4)C3C2)n1C,0,0,0,0
COc1ccc2c(c1)CS[C@H](c1ccccc1)[C@@H]2c1ccc(OCCN2CCCC2)cc1,0,0,0,0
COc1ccc(-n2c(=O)c(-c3ccccc3)nc3cncnc32)cc1,0,0,0,0
Clc1cc(-c2nc(-c3cccnc3)cs2)ccn1,0,0,0,0
NC(=O)c1cc2ccccc2oc1=NCc1ccccc1,0,0,0,0
CCC(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0,0,0
CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl,0,0,0,1
COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CS2,0,0,0,0
COc1ccc(-c2cnc(-c3ccc(S(=O)(=O)NC(C(=O)O)C(C)C)cc3)s2)cc1,0,0,0,0
Nc1ncn(Cc2ccccc2)c2nc(SCCOc3ccccc3)nc1-2,0,0,0,0
CSc1nc(=O)[nH]nc1Sc1ccccc1,0,0,0,0
Cc1ccc(-c2cn3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(Cl)c2)cc1,0,0,0,0
Cc1ncc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1Cl,0,0,0,0
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(C)CC3)c12,0,0,0,0
COc1ccc(Br)cc1C1C2C=CCC(C)C2C(=O)N1Cc1ccccc1,0,0,0,0
Cc1ccc(CCOCCCc2cccc(CCCOCCc3ccc(C)cc3)[n+]2C)cc1,0,0,0,0
Cc1ccc(CN2CC(C(=O)N3CCN(c4ccccc4Cl)CC3)CC2=O)cc1,1,0,0,0
CC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccc(F)cc2)CCCCC1,0,0,0,0
O=Cc1c[nH]c2c1ccc1c3cccc(Br)c3[nH]c12,0,0,0,0
CN(C)C(=O)c1cccc(Nc2c(NC(C)(C)C)c(=O)c2=O)c1O,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)CC1,1,0,0,0
CCC(CO)Oc1cc(NCc2ccccc2Cl)c2ncn(C(C)C)c2c1,1,0,0,0
CC1CCN(c2oc(-c3cccc4ccccc34)nc2C#N)CC1,0,0,0,0
Nc1nc(-c2ccco2)nn1C(=O)c1cccnc1,0,0,0,0
CCCOc1ccc(-c2nc(-c3ccc(N)cc3)cs2)cc1,0,1,0,0
CCCCc1nc2ccn(Cc3ccccc3F)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
N=c1oc2ccc3ccccc3c2cc1-c1nnc2n1CCCCC2,1,0,0,0
COC(CNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)OC,0,0,0,0
FC(F)(F)Oc1ccc(C2NCc3ccccc3-n3cccc32)cc1,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N([C@H](C)c2ccccc2)C1,0,0,0,0
Cc1cccc(C)c1NC(=S)NN=Cc1c(Cl)cccc1Cl,0,0,0,0
Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1,1,1,0,0
O=c1[nH]cnc2c1sc1c(Cl)ccc(Cl)c12,0,0,0,1
Cc1ccc(CN2CCC[C@]3(N[C@H](c4ccccc4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]43)C2=O)cc1,0,0,0,0
COc1ccc2[nH]cc(CCNC(=O)C3CCCNC3=O)c2c1,1,0,0,0
C[C@H](Oc1cc(-c2ccc(CN3CCCCC3=O)cc2)cc2ncccc12)[C@@H]1CNC(=O)C1,0,0,0,0
COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)C)nc3[nH]cc(C#N)c23)cc1O,0,0,0,0
Cc1nc(SCc2cc(N3CCOCC3)cc(NCc3ccnc(F)c3)n2)oc1C,0,0,0,0
CCOC(=O)c1c(-c2ccco2)csc1NC(=O)COC(=O)c1cnccn1,0,0,0,1
CCN(CC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
Cn1c(Cn2cnc(Cl)c2Cl)nc2ccccc21,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)c(O)c2n(CCC)c1=O,0,0,0,0
S=c1nc[nH]c2c1[nH]c1ccccc12,0,0,0,0
Cc1nc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)sc1C,0,0,0,0
CCOP(=O)(OCC)c1nc(-c2cccc3ccccc23)oc1N1CCCCC1,1,0,0,0
Cc1cc(C)n(-c2cc(Oc3ccccc3)ncn2)n1,0,0,0,0
CCCC1=Nc2cc(C(=O)N3CCC(C(=O)OCC)CC3)ccc2Sc2ccccc21,1,0,0,0
OC(CN1CCN(Cc2ccccc2)CC1)c1ccccc1,0,0,0,0
CO[C@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC1(C)C,0,0,0,0
Cc1cc(Nc2ccn[nH]2)nc(CC2(c3n[nH]c(=O)o3)CCC(Oc3cccc(Cl)c3F)CC2)n1,0,0,0,0
O=C(OCC(=O)N1CCc2ccccc21)c1cccnc1Cl,0,1,0,0
CCc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)cc1,0,1,0,0
CN1C(=O)CC(N2CCC(C(N)=O)CC2)C1=O,0,0,0,0
C/C(=N\NC(=O)c1ccc(Cl)cc1)c1ccccn1,0,1,0,0
Cc1cccc2cc(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)c(=O)[nH]c12,1,0,0,0
Cc1ccc2sc(NNC(=O)c3ccc4c(c3)OCCO4)nc2c1C,1,0,0,0
CCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4,0,0,0,0
O=C(NO)c1cccc(NC2CCCCC2)c1,0,0,0,0
Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1,1,0,0,0
O=C(COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1)NCCS(=O)(=O)O,0,0,0,0
COc1ccc(CN=Cc2c(O)[nH]c(=O)c3ccc(-n4cccc4)cc23)cc1O,0,0,0,0
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(C(F)(F)F)c3)N2)cc1,0,0,0,0
COc1cc(S(=O)(=O)c2ccc(OC(F)F)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
O=C1CCCc2cc(S(=O)(=O)NNc3ccc(Br)cc3)ccc2N1,0,0,0,0
C=CCNc1nc(-c2cccs2)c(CC(=O)O)s1,0,0,0,0
COc1ccc2c(c1)[nH]c1c(=O)n(CC3CCCO3)cnc12,0,0,0,0
CC(=O)Nc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1,0,0,0,0
Cc1ccc(-c2nc(CN(C)Cc3ccc4nccnc4c3)c(C)o2)s1,1,0,0,0
Cc1ccc(-c2nc(SCC(=O)N(C)C3CCS(=O)(=O)C3)[nH]c2-c2ccc(C)cc2)cc1,1,0,0,0
O=[N+]([O-])c1ccc(Oc2cccc3cccnc23)c([N+](=O)[O-])c1,0,0,0,0
Cc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3C3(C)C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)N23)c1,1,0,0,0
CSC[C@H](NC(=O)CNC(=O)N1CCC(=O)CC1)C(=O)N[C@@H](Cc1ccc(-c2ccccc2)cc1)[C@@H](O)[C@@H](O)CC(C)C,0,0,0,0
Cc1cc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(Cl)cn3)nn(C)c2=O)n(C)n1,0,0,0,0
CCCc1nc2oc(C(=O)OCC)c(N)c2c2c1COC(C)(C)C2,1,0,0,0
CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1cc3c(cc1Br)OCO3)n2C,0,0,0,0
O=C(O)CN1C(=O)CC(Cc2ccccc2)C1=O,0,0,0,0
COc1ccc(CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)cc1OC,0,0,0,0
Cc1ccc(N2C(=O)CC(Cc3ccc(Cl)cc3)C2=O)cc1,0,0,0,0
O=S1(=O)CCN(c2ccc(CN(CC(F)(F)F)S(=O)(=O)Cc3ccccc3)c(F)c2)CC1,0,0,0,0
O=C1CC(C(=O)Nc2ccc(C(=O)O)cc2)C(c2ccccc2)O1,0,0,0,0
Cc1cc(CNc2nc(Nc3cc(C)[nH]n3)cc(N3CCOCC3)n2)on1,0,0,0,0
O=C(O)CCc1c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4ccccc4)cc32)[nH]c2c1C(=O)CCC2,0,0,0,0
Cc1cc(Nc2ccc(Br)cc2)n2nc(C)nc2n1,1,0,0,0
Cc1occc1C(=O)N/N=C/c1cccc2ccccc12,0,1,0,0
CC1=C(C(=O)OCC2CCCCC2)C(c2c(F)cccc2Cl)CC(=O)N1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1,1,0,0,0
CC(C)(C)NS(=O)(=O)c1cncc(-c2cc(F)c3nc(N)nn3c2)c1,0,0,0,0
O=C(N/N=C/c1cccs1)c1ccccn1,0,1,0,0
Fc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1,1,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H]1CCCCNC(=O)CC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCC(N)=O)NC1=O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(C)=O,0,0,0,0
Cn1c(SCC(=O)c2ccccc2)nnc1-c1ccco1,0,1,0,0
Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccccc2)ccc1Cl,0,0,0,0
Cc1nc(SCCC(=O)O)c2ccccc2n1,1,0,0,0
Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2C,0,0,0,0
CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1,0,0,0,0
O=S(=O)(c1ccccc1)n1cc(-c2ccccn2)c(N2CCOCC2)n1,0,0,0,0
CC(C)C(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1,0,1,0,0
O=C(O)COc1cccc(CCCN(CCC(c2ccccc2)c2ccccc2)C(=O)c2ccccc2)c1,0,0,0,0
CCCOC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C,0,0,0,0
CCC(=O)C1=C(COC(C)=O)CS(=O)(=O)C2[C@@H](Cl)C(=O)N12,0,0,0,0
COc1ccc(-c2c(C)nn3c(N4CCN(c5cc(Cl)ccc5C)CC4)cc(C)nc23)cc1OC,0,0,0,0
COc1cc(COc2cc(OC)cc3oc(-c4cn5nc(OC)sc5n4)cc23)cc(-c2cnc(OC)nc2)c1,0,0,0,0
CCOCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1,0,0,0,0
Cc1cc(C)n(-c2ccc(C(C)C)cc2)c(=O)c1C#N,0,0,0,0
Cc1nc2sc(C(c3ccco3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1,0,0,0,0
Nc1nc(NCC2CCC(CNS(=O)(=O)c3ccc4ccccc4c3)CC2)nc2ccccc12,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cc(Br)ccc2OC)c2ccc(C#N)cc2N(C(C)=O)[C@H]1C,0,0,0,0
Cn1c(Nc2cccc(C(F)(F)F)c2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0,0,0,0
O=C(c1ccc(C(=O)N2CCC(N3CCCC3)C2)cc1)N1CCC(N2CCCC2)CC1,0,0,0,0
Cc1ccc(-c2nnc(Sc3nc4ccccc4o3)c3ccccc23)cc1,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C)c2F)cn1,0,0,0,0
CC1c2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CCN1C(=O)N(C)C,0,0,0,0
CCN(CC)c1ncc(N(CC)c2ccccc2F)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1,0,0,0,0
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(N)cc1,0,0,0,0
Cc1ccc(-c2cc3ncc(C(=O)c4cc([N+](=O)[O-])ccc4O)cn3n2)cc1,0,1,0,0
Nc1c(C(=O)NC2CCCCC2)c2nc3ccccc3nc2n1N=Cc1ccco1,1,0,0,0
CSCCC(NC(=O)c1ccco1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2,0,0,1,0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(C(C)CC(=O)O)ccc3OC(F)(F)F)cc21,0,0,0,0
C[C@H]1NC(=O)c2cc(-c3cccc4c(=O)n(C5CCOCC5)c(NC(C)(C)C)nc34)[nH]c21,0,0,0,0
CC1(C)CCCC(=Cc2ccccc2)C1=O,0,0,0,0
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccon3)cc2)C1c1cccnc1OCCO,0,0,0,0
c1ccc(CSCc2nc3ccccc3[nH]2)cc1,0,1,0,0
O=C(O)CCSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1,1,0,0,0
CCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1CC,0,0,0,0
O=c1oc2ccccc2c(O)c1[C@H]1c2ccc(O)cc2Oc2c1c(=O)oc1ccccc21,0,0,0,0
CC1=CC(C)(C)c2ccc(NS(=O)(=O)c3c(Cl)nc4sccn34)cc21,0,0,0,0
c1ccc2c(c1)CCN(C1=Nc3cccc4cccc1c34)C2,0,1,0,0
Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O,0,0,0,1
CC(=O)Nc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1,0,0,0,0
Cn1c(O)c(/C=N/c2ccccn2)c(=O)n(C)c1=O,0,0,0,0
O=Cc1c(O)ccc2cc(-c3cncnc3)ccc12,0,0,0,0
O=C(/C=C/c1cn(C(/C=C/c2ccccc2)C2CCCC2)nn1)NO,0,0,0,1
COc1ccccc1Oc1coc2cc(O)ccc2c1=O,0,0,0,0
CCc1nc2sc3c(c2c(=O)n1CCO)CCC3,0,0,0,0
FC(F)(F)c1cnc(Nc2ccc3nc[nH]c3c2)nc1OC1CCCCC1,0,0,0,0
O=C1CN=C(n2cnc(-c3cnco3)c2)C=C2c3cccc(C4CC4)c3CCN12,0,0,0,0
COc1ccc(C(=O)OCC(=O)C(C)(C)C)cc1S(=O)(=O)N(C)CCc1cccnc1,1,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC(C)c4ccccc4)c3)C2)cc1,0,0,0,0
COc1ccc(C#Cc2ccc(C(=O)N3CCC[C@@H](CO)C3)cc2)cc1,0,0,0,0
O=c1c2cn[nH]c2c2ccc(-c3ccnc(N4CCN(C5CC5)CC4)c3)cc2n1CC(F)(F)F,0,0,0,0
COc1ccc2cc(/C(C)=N/NC(=O)C3CC3)ccc2c1,0,1,0,0
COc1ccc(N2CCN(CCCNC(=O)C3(S(=O)(=O)c4ccc(Cl)cc4)CC3)CC2)cc1,1,0,0,0
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccs3)N2)cc1,0,0,0,0
CCCOc1ccc(-c2n[nH]c(=S)[nH]2)cc1,0,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(C(=O)OC)cc3)CC2)c1,0,0,0,0
COc1ccc(C(=O)CCNc2ccc3c(c2)OCCO3)cc1,1,1,0,0
Nn1c(C2CCC2)nc2cc(Cl)ccc2c1=O,1,0,0,0
c1ccc2cc(CN(C3CCCCC3)C3CNC3)ccc2c1,0,0,0,0
CN1C(=O)CCC1c1cc2[nH]c(-c3nc(CC(=O)O)c(Cl)s3)cc2cc1Oc1ccc(S(C)(=O)=O)cc1,0,0,0,0
O=[N+]([O-])c1ccc(CSC2=NCCN2)cc1,0,0,0,0
CCN(CC)C(=S)SCC(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O,0,0,0,0
O=c1c(-c2ccc(F)cc2)nc2cnc(N3CCOCC3)nc2n1CC1CCCO1,0,0,0,0
CC(=O)NC1C(=O)Nc2ccccc21,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(C#N)cc(C(=O)O)c2)c1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2cc(OC)c(OC)cc12,0,0,1,0
O=C(NNC(=S)NC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccncc1,0,1,0,0
CC(C)(C)n1nnnc1C(c1ccccc1)N1CCN(CCN2CCOCC2)CC1,0,0,0,0
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(=O)[nH]c1,0,0,0,1
Cc1snc2sc(C(=O)c3ccc(Br)cc3)c(N)c12,0,0,0,0
CCNC(=S)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1,0,0,0,0
Cc1ccccc1-c1cc(-c2ccccc2O)on1,0,1,0,0
COc1ccc(C(=O)N/N=C/c2ccc(OC(=O)c3cccs3)cc2)cc1,1,0,0,0
CCCn1cc(Nc2cc(-n3ncc4cc(Cl)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
COCc1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)s1,1,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1,0,0,0,0
O=C(O)c1cnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc2c1,0,0,0,0
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(N3CCC(C(=O)N4CCN(CCO)CC4)CC3)ccnc21,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(O)C3)cc1,0,0,0,0
CC(=O)c1c2c3c(cccc3[nH]c1=O)C(=O)c1ccccc1-2,0,0,0,0
O=C(N/N=C/C=C/c1ccc2c(c1)OCO2)c1ccc([N+](=O)[O-])cc1,1,0,0,0
CCOc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1,1,0,0,0
O=C(CNC(=S)NC(=O)c1ccccc1)c1ccccc1,0,1,0,0
O=C1NC(=O)c2c1c(I)cc1[nH]c3ccc(O)cc3c21,0,0,0,0
CC(C)CN1C(=O)NC(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C1=O,0,0,0,0
CN(C)c1ccc(/C=N/N=C2/SC(CC(=O)O)C(=O)N2c2ccc(O)cc2)cc1,0,0,0,0
COc1ccc(-c2nc(CSCC(=O)NCCC3=CCCCC3)c(C)o2)cc1OC,1,0,0,0
Cc1ccc(-c2cc[n+](Cc3ccccc3)cc2)cc1,0,0,0,0
COc1cccc(S(=O)(=O)c2nc(C)c3c(n2)CCC3)c1,0,0,0,0
O=C(O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(Oc5ccccc5)ccc4C3)o2)n1,0,0,0,0
Cn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,0,0,0,0
CN(Cc1ccccc1)C(=O)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1,1,0,0,0
O=[N+]([O-])c1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
Cc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1,0,0,0,0
CCc1ccccc1OCC1=NCCN1,0,0,0,0
C[C@@]1(O)[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)C[C@@H](CO)[C@@H]1O,0,0,0,0
CCOC(=O)N1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1,1,1,0,0
COCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,1
COc1ccc(CC(=O)Nc2cccc(-c3ccc4nnc(C)n4n3)c2)cc1,1,0,0,0
O=S(=O)(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCN(c2ccc(Cl)cc2)CC1,0,0,0,0
CN(C)CCOc1ccc(/C(=C(/CCCl)c2ccccc2)c2ccccc2)cc1,0,0,0,0
COCCOc1ccc2[nH]nc(-c3cc(N4CCNC(=O)C4)ncn3)c2c1,0,0,0,0
CCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1,0,0,0,0
Cc1nn(C)cc1CNCc1c(C(=O)N2CCCCC2)nc2c(C)cccn12,0,0,0,0
COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)C(=CC(C)C(=O)NCCF)c2cccnc2)cc1,1,0,0,0
Cc1c(-n2cc(C(=O)O)c(=O)c3cc(F)c(N4CCCC(O)C4)c(F)c32)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1cc2c(cc1OC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O,0,0,0,0
CC(C)(C)c1cnc(CSc2cnc(NCC3CCNCC3)s2)o1,0,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3ccccc3OC(F)F)CC2)c1,0,0,0,0
CCN(CCCNC(=O)c1cc(Nc2ccc(OC)cc2OC)nc2ccccc12)c1cccc(C)c1,1,0,0,0
CC(C)C[C@H](NC(=O)CCCCC1CCSS1)C(=O)NC(Cc1ccc(Br)cc1)C(=O)C(=O)N1CCOCC1,0,0,1,0
CCOC(=O)COc1cc2c3c(c(=O)oc2cc1C)CCCC3,0,0,0,0
CC(C)N(CCn1c(=S)[nH]c2ccccc2c1=O)C(C)C,0,0,0,0
CCOC(=O)[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
CC(=O)Nc1ccc(C=NNc2ccc(C(=O)c3c(C)cc4ccccn34)cc2[N+](=O)[O-])cc1,0,0,0,0
CCCc1nc(CC)c(C(=O)OCCC[S+]([O-])c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F,0,0,0,0
O=C(O)C1CCN(Cc2coc3cc(Oc4nc5ccccc5s4)ccc23)CC1,0,0,0,0
CCOC(=O)C(=O)C(=CN(C)C)c1onc(-c2ccccc2)c1C(=O)OC,1,0,0,0
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCCC(C2)N1,0,0,0,0
CCOc1c(N2CCOCC2)cnn(C)c1=O,0,0,0,0
CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1c1cccc(C#N)c1,0,0,0,0
O=C(OC1CC2CC3C[C@@H](C1)N2CC3=O)c1c[nH]c2ccccc12,0,0,0,0
COc1ccc(Br)cc1CNc1ccc(N2CCOCC2)cc1,1,0,0,0
O=c1ccc2ccc(OCc3ccccc3)cc2o1,0,1,0,0
COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1,0,0,0,0
COc1cc(CN(C(=O)c2ccccc2Br)c2ccccn2)cc(OC)c1OC,0,0,0,0
CCC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1,0,0,0,0
CCCN1C(=O)CC(c2ccco2)Sc2ccccc21,0,0,0,0
CC(C)(C)Nc1nc(-c2ccccn2)nc2ccccc12,0,0,0,0
CNC(=O)Nc1snc(SC2CCCc3ccccc32)c1C(N)=O,0,0,0,0
COc1ccc(C(C)(F)Cn2cc[nH]c2=O)cc1OC1CCOC1,0,0,0,0
COc1ccc2[nH]c(C(O)(Cc3cccnc3)Cc3cccnc3)cc2c1,0,0,0,0
CCN(Cc1ccncc1)S(=O)(=O)c1ccc(C(C)=O)cc1,0,0,0,0
C=CCNC(=S)N1CCN(Cc2ccccc2)CC1,0,0,0,0
O=c1cc(CCc2cccc(Cl)c2)c2cc(C(O)(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1,0,0,0,0
CCOc1ccc(Cc2cc([C@H]3O[C@@H](OC)[C@H](O)[C@@H](O)[C@@H]3O)c(OC)cc2Cl)cc1,0,0,0,0
O=c1nc(SCc2c(F)cccc2Cl)[nH]c(-c2ccccc2)n1,0,0,0,0
CCn1cnc2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1=O,1,0,0,0
O=S1(=O)C=C(SCc2ccc(Cl)c(Cl)c2)Nc2ccccc21,1,0,0,0
O=S1(=O)CCC(n2ncc3c2C(=Cc2ccccc2)CC3)C1,0,0,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
COc1ccccc1Oc1c[nH]nc1-c1ccc(O)cc1O,0,0,0,0
CN(C)CC(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,0,0,0,0
CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COc1ccc(NCc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1,0,1,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3cncc(C)c3)c(=O)n(C)n2)nc1,0,0,0,0
CCc1ccc(NC(=O)CCCc2nnc3n(C(C)CC)c(=O)c4sccc4n23)cc1,1,0,0,0
Cc1ccc(CNc2cc(N3CCN(c4nc(-c5ccccc5Br)cs4)CC3)c(Cl)cc2[N+](=O)[O-])cc1,0,0,0,0
O=C(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1)NCCO,0,0,0,0
Cn1c(=O)c2c(nc(Oc3ccccc3)n2C)n(C)c1=O,0,0,0,0
CCC(=O)OCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
Cc1cc(C(=O)O)nn1Cc1cc(Cl)cn2nc(C(C)C)cc12,0,0,0,0
CCCc1c(OCc2ccc3c(c2)OCO3)ccc2c(=O)cc(C(=O)O)oc12,0,0,0,0
COc1ccc(NC(=O)O/N=C/c2ccccc2Cl)cc1,0,1,0,0
CCOC(=O)c1ccc(-n2c(CN(CC)CC)nc3ccc([N+](=O)[O-])cc3c2=O)cc1,0,0,0,0
NS(=O)(=O)c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1,0,0,0,0
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1cccs1,0,1,0,0
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3ccc(OCC4NCCc5cc(O)c(O)cc54)cc3)cc2)cc1,0,0,0,0
Cn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,0,0,0,0
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(OC(C)C)cc2C)C1,0,0,1,0
CCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1,0,1,0,0
CC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,0,0,0,0
COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
COc1ccc(/C=N/OC(=O)Nc2ccccc2)cc1[N+](=O)[O-],0,1,0,0
CCc1nnc(N2C(=O)c3ccccc3C2(O)c2ccccc2)s1,0,0,0,0
CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1CCc1ccc(Br)cc1,1,0,0,0
Cc1cccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)c1,0,0,0,0
O=C1c2ccccc2C(=O)N1c1ccc(Cl)cn1,0,0,0,0
O=C(O)CC[C@H](NC(=O)CCc1ccc(-c2cccs2)cc1)C(=O)N1CCCC(CC(=O)O)C1,0,0,0,1
O=S(=O)(NCc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccccc1,0,0,0,0
C[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)C(O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
COc1ccc(CNC(=O)C2CCCN2C(=O)C2Cc3ccccc3CN2C(=O)OC(C)(C)C)cc1,1,0,0,0
O=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2ccccc2)c1=O,0,1,0,0
CCOP(=O)(Oc1ccccc1)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-],0,0,0,0
COc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1,0,0,0,0
CCN(c1ccccc1)c1cc(C)nc2ncnn12,0,0,0,0
NCCCCN(C[C@H]1CN(S(=O)(=O)c2ccc(Cl)cc2)CCN1)[C@H]1CCCc2cccnc21,0,0,0,0
COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(N(C)C)nc21,0,0,0,0
Cc1ccc(C)c(OCc2cc(C(=O)N(C)Cc3ccccn3)no2)c1,1,0,0,0
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1C(=O)N(Cc1nc(C)c3ccccc3n1)C1=NCCCN12,0,0,0,0
[H]/N=C(/NC#N)N(c1cccc2ncccc12)C(C)c1ccccc1,0,0,0,0
CC(=O)NCCNc1nc2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)sc2c(=O)n1C,0,0,0,0
Cc1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,0,0,0,0
COc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1,0,1,0,0
O=C(NN=Cc1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Cl)cc1,1,0,0,0
COc1ccccc1NS(=O)(=O)c1ccc(NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)c([N+](=O)[O-])c1,0,0,0,0
COCCn1c(C)cc(C2=NNC(=Nc3ccccc3F)SC2)c1C,0,1,0,0
CCn1c(SCC(=O)NCCOC)nc2sc(C)c(C)c2c1=O,0,0,0,0
Cn1c(-c2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)cc2ccccc21,0,0,0,0
COC(=O)CC1C(=O)NCCN1C(=O)Nc1cccc(Cl)c1,0,0,0,0
Cc1ccccc1C(=O)Oc1ccccc1C(=O)N1CCOCC1,0,0,0,0
CCCc1cc2c(cc1N1CCN(CCCCO)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
O=C(O)C=CC(=O)Nc1ccc2c(c1)NC(=O)CO2,0,0,0,0
O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCC[S+]3[O-],0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(Br)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
c1ccc(OCCSc2nnnn2-c2ccccc2)cc1,0,1,0,0
Cl.Cn1c(O)c(C=NCCCN2CCCC2=O)c(=O)n(C)c1=O.O=C(O)C(=O)O,0,0,0,0
COc1ccccc1-c1c(C(N)=O)sc2cnc(Nc3ccc(CN4CCN(C)CC4)cc3OC(C)C)nc12,0,0,0,0
CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)c(OC)c3)[C@H]2C)cn1,0,0,0,0
Cc1cccc(Nc2ncccc2OC(C)C)n1,0,0,0,0
O=c1[nH]c(N2CCCCC2)nc(NC2CCCNC2)c1-c1ccc2ccccc2n1,0,0,0,0
O=C1OCC(c2ccccc2N2CCNCC2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1,0,0,0,0
O=C(NC1CCCCCCC1)c1c(O)nc2ccccc2c1O,1,0,0,0
Clc1ccccc1Nc1nccc(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
C=CC(=O)Nc1ccccc1Oc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1C1CC1,0,0,1,0
CC1CCC/C(=C(\C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)C1,0,1,0,0
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0,0,0
COc1ccc(Cn2c(=O)[nH]c3c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)ccc3c2=O)cc1,0,0,0,0
Cc1cc(O)cc2c(=O)c3ccccc3sc12,0,0,0,0
O=C(c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1)N1CCC[C@H]1CO,0,0,0,0
CC(C)CCn1c(=O)c(C(=O)NN=Cc2cccc(F)c2)c(O)c2ccccc21,1,0,0,0
Cc1cc(C(=O)O)ccc1-c1ccc(/C=N/NC(=S)NCc2ccccc2)o1,0,0,1,0
CCCS(=O)(=O)NC(=O)C1(C)CCN(C(=O)c2ccc(C(=O)OC)cc2)C1,0,0,0,0
Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,0,0,0,1
COc1cc(/C=N/Nc2cccc3cccnc23)cc(OC)c1O,0,1,0,0
CCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,0,0,0,0
COc1ccc(N2CCN(C(=O)CN(C)S(=O)(=O)c3cc(C)ccc3OC)CC2)cc1,1,0,0,0
CC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,0,0,0,0
O=C1CCC(c2ccccc2)N1C(=O)c1cccnc1,0,0,0,0
N#Cc1ccc(C2CCCc3cncn32)cc1,0,0,0,0
COc1cccc(Nc2ncc3nc(-c4ccccc4)c(=O)n(C)c3n2)c1,0,0,0,0
COc1nccc2[nH]nc(-c3cnn(C4CCOC4)c3)c12,0,0,0,0
COc1nn2cc(-c3ccccc3)nc2s1,0,0,0,0
Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1C,1,1,0,0
CCOC(=O)c1sc(NN=C2C(=O)NC(=O)NC2=O)c(C(=O)OCC)c1C,0,0,0,0
Cc1cccc(NC(=O)CN2CCN(C(=O)C(C)Oc3ccc(C#N)cc3)CC2)c1C,1,0,0,0
OC(c1ccc(Cl)c(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0,0,0,0
C=CCn1c(-c2cccc3ccccc23)n[nH]c1=S,0,0,0,0
CC1(C)NC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,0,0,0,0
CCOC(=O)c1ccc(Nc2c(CC)c(C)nc3ncnn23)cc1,0,0,0,0
COc1ccc(/C=C/c2ccc(=O)[nH]n2)cc1,0,1,0,0
NC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
COc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1Cl,0,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-c3cnco3)n2)CC1,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1cc(S(=O)(=O)F)ccc1OC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0,0,1,0
O=C(O)CC/C=C\C[C@@H]1C2CCC(C2)[C@@H]1c1cccnc1,0,0,0,0
O=C1C2C3C=CC(C2C(=O)N1CCCO)C1C2C(=O)N(CCCO)C(=O)C2C31,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1,1,0,0,0
CC(C)(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,0,0,0,0
CN1C(=O)C(c2cccc(-c3cncc(F)c3)c2)(C2CC2)N=C1N,0,0,0,0
Cn1c(=O)c2c(nc(NN=Cc3ccc(OC(=O)c4ccco4)cc3)n2Cc2ccc(F)cc2)n(C)c1=O,1,0,0,0
CCOC(=O)CCCCC(=O)c1[nH]c(=O)[nH]c1CSc1nc2ccccc2[nH]1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
FC(F)(F)c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1,0,0,0,0
O=C1N(Nc2ccccc2)C(c2ccc(Br)cc2)C12CCCCC2,0,0,0,0
CCCOC(=O)c1ccc(Oc2c(-c3ccc(OCC)cc3O)n[nH]c2C)cc1,0,0,0,0
COc1cccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)c1,0,0,0,0
COc1ccc(C=NNC(=S)Nc2ccccc2[N+](=O)[O-])cc1O,0,0,0,0
Cc1cc(N)cnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CCCCNc1ncc(-c2ccccn2)c(NC2CC(O)C2)n1,0,0,0,0
CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCC(=O)O)c(Cl)c1Cl,0,0,0,0
CC(C)(C)OC(=O)N1CCC2(CC1)CCN(c1ccc(C3CCC(N4CCCC4)CC3)cc1F)C2=O,0,0,0,0
Cc1c(Cl)cc(C(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
C/C(=N/NC(=O)CSCc1ccc(Cl)cc1)c1cccc(NC(=O)c2ccccc2)c1,1,0,0,0
C[C@@H]1Cc2c(O)c(O)cc(O)c2C(=O)O1,0,0,0,0
CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
N#C[C@@H]1C[C@H](O)CCC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
Cc1cc(S(=O)(=O)N(C)CCc2ccccc2)ccc1-n1cnnn1,0,0,0,0
Cn1ncc2cc(NC(=S)NC(=O)c3ccccc3)ccc21,0,1,0,0
NS(=O)(=O)c1ccc(-n2nc(-c3ccc(F)c(F)c3)ccc2=O)cc1,0,0,0,0
CCn1c(=O)c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)sc2c2ccccc21,1,0,0,0
O=c1c2ccccc2ncn1-c1ccc(Cl)cc1[N+](=O)[O-],0,0,0,0
CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
CN(C)CCOc1ccc(C2=C3c4ccc(O)cc4CC3(Cc3ccccc3)CCC2=O)cc1,0,0,0,0
C=C1[C@H](CO)[C@@H](O)C[C@@H]1n1cnc2c(=O)[nH]c(N)nc21,0,0,0,0
CC(C)n1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1,0,0,0,0
CN1/C(=C\C=C\C2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc21.[O-][Cl+3]([O-])([O-])[O-],0,1,0,0
CCOc1ccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1OCC,0,0,0,0
CO[C@H]1CCN(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1,0,0,0,0
COc1ccc(N(Cc2ccccc2)C(=O)c2ccccc2[N+](=O)[O-])cc1,0,0,0,0
Cn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21,1,0,0,0
CN1[C@@H]2CC[C@H]1CC(CC(C#N)(c1ccccc1)c1ccccc1)C2,0,0,0,0
c1csc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1,0,0,0,0
O=C1CC(Cc2ccc(Br)cc2)C(=O)N1c1ccccc1,0,0,0,0
C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)c2)cc1,0,0,0,0
CCC(C)C(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,0,0,0,0
Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(S(N)(=O)=O)c3)s2)cs1,0,0,0,0
COc1cccc(C(=O)C2CCCN(C(=O)c3ccccn3)C2)c1,0,0,0,0
CCOC1OC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)=CC(c2csc3ccccc23)C1CCCO,1,0,0,0
c1ccc(CN(Cc2ccccc2)c2nn[nH]n2)cc1,0,0,0,0
CCn1c(SCc2cccc(F)c2)nnc1-c1cccnc1,0,0,0,0
Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)cc1,0,0,0,0
CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3Br)c3ccc(F)cc23)C1,0,0,0,0
Cc1cc(-c2nc(-c3ccc4c(c3)CCC(N)(CO)C4)no2)ccc1OC(C)C,0,0,0,0
C[C@@]12O[C@@H](C[C@@]1(O)C(=O)O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,0,0,0,1
C[C@@H](O)CNCC(=O)N1CCc2c(F)cccc2C1C1CCCCC1,0,0,0,0
CN1C(=O)C(c2ccsc2)(c2cccc(-c3cccnc3)c2)N=C1N,0,0,0,0
C=CCOc1c(Br)cc(C2NC(=O)NC(C)=C2C(C)=O)cc1OCC,0,0,0,0
COc1ccc(CN2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2)cc1,0,0,0,0
Cc1cc(O)ccc1-c1c(Cl)c2cc(O)ccc2n1Cc1ccc(OCCN2CCCCC2)cc1,0,0,0,0
O=S(=O)(c1ccccc1)N1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1,0,0,0,0
CC(=O)c1cc2ccc(-c3ccc(O)cc3)cc2oc1=O,0,0,0,0
CC1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0,0,0
COc1ccc(Cc2nc(C)nn2-c2cc(C3CC3c3nc(C)no3)nc(C)n2)cc1OC,0,0,0,0
O=C1OC2(CCN(C(=O)Nc3cnc(-c4ccccc4)nc3)CC2)c2ccccc21,0,0,0,0
O=C1CN(S(=O)(=O)c2ccc(F)cc2)c2ccccc2N1,0,0,0,0
S=c1[nH]nc(-c2ccc(Cl)cc2)n1N=Cc1cccs1,0,0,0,0
Cc1ccsc1C(=O)Nc1ccc(OCc2ccccc2)cc1,0,1,0,0
Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)nc12,0,0,0,0
COc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)c1,0,0,0,0
COc1cc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc(OC)c1OC,0,0,0,0
O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccc(Br)cc1,0,0,0,0
O=C(c1ccc(F)cc1)n1cc(C(=S)N2CCOCC2)c2ccccc21,0,0,0,0
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CCN4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccc(F)cc1,0,0,0,0
Cc1cc(C)n2nc(S(=O)(=O)NCCc3ccccc3)nc2n1,1,0,0,0
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1F,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncc(OCC4CC4(F)F)cn3)C2)cc1,0,0,0,0
CC(=O)c1ccc(N2CCN(C(=O)COc3ccc4c(c3)CCC4)CC2)cc1,0,0,0,1
N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,0,0,0,0
N#Cc1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
CCN(CC)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O,0,0,0,0
CCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
CC1CCCN(c2oc(-c3cccc4ccccc34)nc2C#N)C1,0,1,0,0
Cc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1,0,1,0,0
Cc1ccc(-n2ncc3c2ncn2c(C)nnc32)cc1C,0,1,0,0
O=c1cc(-c2cccc(F)c2)[nH]c2ccc(Cl)cc12,0,0,0,0
CSc1ncc2c(=O)nc(-c3ccccc3)[nH]c2n1,0,0,0,0
CC(C)Nc1cc(-n2ncc3cncnc32)ncc1C(=O)NC[C@H](F)C(C)(C)O,0,0,0,0
CCOCc1cc(OC)c(-c2csc3c(N(CC4CCC4)C4CCOC4)c(OC)nn23)c(OC)c1,0,0,0,0
CC(C)CC(=O)Nc1ccccc1N1CCOCC1,0,0,0,0
CC(C)[C@@H](N=C1NS(=O)(=O)N=C1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1,0,0,0,0
NC(=O)C12CC3CC(C1)C(OC(=O)N1CCC[C@H]1c1nc(-c4cc[nH]c(=O)c4)cs1)C(C3)C2,0,0,0,0
COc1cc(C)c2nc3n[nH]c(C)c3c(C(=O)c3ccncc3)c2c1,0,0,0,0
CCN(CC)C(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3,0,0,0,0
Cc1ccc(CCN2CC(C(=O)NCCCN(C)Cc3ccccc3)CC2=O)cc1,1,0,0,0
Cc1ccc(-c2[nH]c(-c3ccc(C(=O)O)cc3)nc2-c2ccccc2)cc1,1,0,0,0
O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCCCC1,0,0,0,0
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(NCCCCc5ccc(Cl)cc5)[C@@H](C2)N(CC2CC2)CC[C@]314,0,0,0,0
COc1ccc(CNC(=S)N/N=C(/C)c2ccccc2)cc1,0,1,0,0
C/C=C/C(=O)Nc1cccc(CNc2c(C(N)=O)cnn3cccc23)c1,0,0,1,0
CC1CN(C(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC(C)O1,0,0,0,0
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1NCCN1CCOCC1,1,0,0,0
CC1(C)Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C(=O)O)CO1,0,0,0,1
Cc1ccc(C(N)=O)cc1-c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1,0,0,0,0
COC(CNS(=O)(=O)c1cccc2nonc12)OC,0,0,0,0
O=C(O)c1cc(=O)c2c(OCC(O)COc3cccc4oc(C(=O)O)cc(=O)c34)cccc2o1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1F,0,0,0,0
CC(C)CC(CC(=O)NC(CCCN)CC(=O)NC1CCNCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)C1CNCCC1N,1,0,0,0
Nn1c(-c2cccc(Br)c2)n[nH]c1=S,0,0,0,0
Fc1ccc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc1,0,1,0,0
CC(C)CC(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1,1,0,0,0
CN(Cc1ccco1)c1ncncc1-c1ccc2c(c1)OCO2,0,0,0,0
CCCCC1CN(S(=O)(=O)C2CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1,0,0,0,0
CCC1CCC2(CC1)SCC(=O)N2c1ccccc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2cccc(F)c2)CC1,0,0,0,0
COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1,0,0,0,0
CCCC[P+](CCCC)(CCCC)Cc1ccc(NC(=O)C(Cc2ccc3ccccc3c2)N=C(NC2CCCCC2)NC2CCCCC2)cc1,1,0,0,0
COc1ccccc1-n1c(/C=C/c2c(C)n(C)c3ccccc23)nc2ccccc2c1=O,1,0,0,0
CN(C)S(=O)(=O)c1nc(Cl)c2[nH]cnc2n1,0,0,0,0
c1ccc(COc2ccc3c(c2)CCN(Cc2ccccc2)CC3)cc1,0,0,0,0
N=C(N)SCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1,0,0,0,0
CCOc1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1,0,0,0,0
Cc1cc(=O)c(C(=O)Nc2cccc(N3CCCC3=O)c2)nn1-c1ccccc1Cl,1,0,0,0
CC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(Cl)cn4)cc[nH]c3=O)nc12,0,0,0,0
CC(=NNC(=O)c1ccncc1)c1cccnc1,1,0,0,0
CC(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)C)C1c1cccnc1,0,0,0,0
COc1ccc2[nH]c(=O)c3sccc3c2c1-c1ccc(C(CN)C2CCCC2)cc1,0,0,0,0
CC#CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CC12CCC3C(CCC4C(C)(C(=O)O)CCCC34C)(CC1=O)C2,0,0,0,0
Cn1ncnc1COc1nn2c(-c3c(F)cc(F)cc3F)nncc2c1-c1ccccc1F,0,0,0,0
CC(C)S(=O)(=O)N1CCN(C(c2ccc(Cl)cc2)c2cccnc2)CC1,0,0,0,0
O=C(O)c1ccc2cc(-c3ccc(CC(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1,0,0,0,0
Nc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1C(=O)O,0,0,0,0
COc1cccc(C(=O)N/N=C/c2cn[nH]c2-c2ccc(OC)cc2OC)c1,0,1,0,0
Cc1ncn(CC(=O)NC(C)(C)C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
COC(=O)c1ccc2c(=O)n3c(nc2c1)SCC(c1ccccc1)=N3,0,0,0,0
OCCNc1nc(Nc2cccc(O)c2)nc2ccccc12,0,0,0,0
Cc1cc(OCC2(C(=O)O)CCC2)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1,0,0,0,0
Oc1ccc(C2CCc3cc(O)ccc3N2c2ccc(OCCN3CCCC3)cc2)cc1,0,0,0,0
CC(=O)NCCN(C)c1cccc(OCCCCc2ccccc2)c1,0,0,0,0
O=C(O)c1c(-c2ccccc2)c(-c2ccccc2)nc2ccccc12,0,0,0,0
CCOc1cc(CNc2ccc(N3CCOCC3)cc2)cc(Br)c1OCC,1,0,0,0
CNC(=O)c1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccc(C(=O)O)cc2C#N)c2ccccc2O[C@H]1C,0,0,0,0
O=c1cc(CO)oc(CN2CCN(c3ccccn3)CC2)c1O,0,0,1,0
COc1cc(NC(=O)N2CCC3(CC2)Nc2ccccc2-n2cccc23)cc(OC)c1OC,1,0,0,0
N#Cc1ccc(CN2CCCC3(CCN(C(=O)c4ccncc4)CC3)C2)cc1,0,0,0,0
CC#CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1,0,0,1,0
CCOc1c(Br)cc(CNc2ccc(N3CCOCC3)cc2)cc1OC,1,0,0,0
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(NC(=N)N)cc2)NC(=O)OCc2ccccc2)cc1,0,0,1,0
O=c1cc(CN2CCN(c3ccccc3O)CC2)nc2sccn12,0,0,0,0
COc1cc2cc(CN(Cc3cccnc3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1OC,1,0,0,0
CCNC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1,1,0,0,0
CN(c1ncccn1)C1CCN(c2nc3ccccc3n2Cc2ccc(F)cc2)CC1,0,0,0,0
COc1ccc(C(=O)N2CCN(C)C(=O)C2C)cc1OC1CCN(C(C)C)CC1,0,0,0,0
Cc1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C(N)=O)c1C,1,0,0,0
CCCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O,0,0,0,0
CCCCc1nc2ccccc2n1Cc1nnc2n1-c1ccccc1SC2,0,0,0,0
CC(C)NC(=O)Cc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1cc(C)c2c(=O)cc(C(=O)Nc3ccc(S(=O)(=O)Nc4nc(C)cc(C)n4)cc3)oc2c1,1,0,0,0
COc1ccccc1C=CCN1CCN(Cc2ccc(F)cc2)C(CCO)C1,1,0,0,0
Cc1ccc(/C(N)=N/OC(=O)Oc2ccccc2)cc1,0,0,0,0
CNC(=O)N(C1=NCC(C)S1)c1ccc(F)cc1F,0,0,0,0
CC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1,0,0,0,0
CC(C)N1CCC(N2CCN(Cc3cnc(-c4ccccc4)s3)CC2CCO)CC1,0,0,0,0
O=C(N[C@H]1CCCN2c3cc(F)ccc3Oc3ccccc3[C@H]12)C(F)(F)F,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc2ccccc2[nH]1,0,0,0,0
S=c1ccc2ccc(OCc3cn(-c4ccccc4)nn3)cc2o1,0,0,0,0
COc1ccc(S(=O)(=O)Nc2ccc(-c3cc(N)n(-c4cccc5ccccc45)n3)cc2)cc1,0,0,0,0
O=C(O)CCCNC(=O)CCCn1nnc2ccccc2c1=O,0,0,0,0
Cc1cc(Nc2cc(-c3cccc(N4Cc5cc(C(C)(C)C)sc5C4=O)c3C)n[nH]c2=O)no1,0,0,0,0
Cc1cccc(N2CC(O)(c3cccs3)[N+]3=C2CCCC3)c1C,0,0,0,0
COCCCNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(Br)cc1,0,0,0,0
O=c1ccc2[nH]cc(C3=CCNCC3)c2[nH]1,1,0,0,0
Cc1cc2ccccc2nc1-c1ccc(N(Cc2cnsc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CCOC(=O)N1C[C@H](Cc2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)[C@@H](C(=O)O)C1,0,0,0,0
CCCS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
Cc1cccc(-n2c(-c3ccco3)nc3ccccc3c2=O)n1,0,0,0,0
CCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1,0,0,0,0
CCCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1,0,0,0,0
Cc1c(N=C2SCC(=O)N2/N=C/c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
Cc1nn(-c2cccc(S(C)(=O)=O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
CN(C)c1nc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)cc(C(F)(F)F)n1,0,0,0,0
O=C(C1CC(c2ccc(F)cc2)=NO1)N1CCc2ccccc2C1,1,0,0,0
Cc1ccc(NC(=O)[C@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1,0,0,1,0
COc1cn2ncnc(Nc3ccc4c(cnn4Cc4cccc(F)c4)c3)c2c1COC[C@@H]1CNCCO1,0,0,0,0
COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1,1,1,0,0
O=C(C(=O)N1CCN(c2ccc(F)cc2)CC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12,1,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)C(C)F)CC1,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)C1C2CC3CC(C2)CC1C3)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
CCCC[S+]([O-])CC(COc1ccc(Cl)cc1)OC(=O)c1ccccc1,1,0,0,0
CC(C)CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CCOCC3)ncc2-c2cnc3[nH]ccc3n2)C1,0,0,0,0
O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1cccc(Cl)c1,0,0,0,0
CC(C)c1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cc(C(F)(F)F)ccc1Cl,1,0,0,0
COc1ccc(-c2n[nH]cc2CN2CCCN(C(=O)c3ccco3)CC2)cc1F,0,0,0,0
CC(=O)N1CC[C@@H](Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C1,0,0,0,0
NC(=O)C1CCN(C(=O)c2ccco2)CC1,0,0,0,0
Cc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2)cc1,0,0,0,0
O=c1nc(OCC2CCCO2)cc2n1CCc1cc(OCc3ncco3)ccc1-2,0,0,0,0
OCc1nn2c3c(cnc2c1-c1ccc(C(F)(F)F)cc1)CN[C@]3(Cc1cccc(F)c1)C1CC1,0,0,0,0
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],1,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2C(=O)NO)cc1,0,0,0,1
CCN(CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
CC(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3)CC2)CC1,0,0,0,0
OC(c1nnc(-c2ccccc2)o1)c1cccs1,0,0,0,0
COC(=O)[C@H](C)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
CCOc1ccccc1CNS(=O)(=O)c1cnc(N)nc1,0,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(CNc3cc(C#N)nc(C#N)c3)ccc2o1,0,0,0,0
CN(c1cccc(Cl)c1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1,0,0,0,0
O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1,1,0,0,0
COC(=O)c1cnc(SCc2ccc(C)cc2)n1C,0,0,0,0
CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12,0,0,0,0
Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(N)(=O)=O)nc2)cc1,0,0,0,1
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccncn2)cc1,0,0,0,0
Nc1n[nH]c2ccc(-c3nnn(Cc4ccccc4)c3-c3cccs3)cc12,0,0,0,0
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(=O)(O)OP(=O)(O)OP(O)(=S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1,0,0,0,0
CCn1c(-c2ccccc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0,0,0
CC(=O)OC[C@H]1O[C@@H](n2nncc2-c2ccc(S(N)(=O)=O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O,0,0,0,0
Clc1ccc(CN2CCO[C@H](COc3ccccn3)C2)cc1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2cccc(C)c2)C(=O)c2ccccc2S3(=O)=O)CC1,1,0,0,0
CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)C1,0,0,0,0
COC(=O)c1scc(S(C)(=O)=O)c1-n1cccc1,0,0,1,0
CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1,0,0,0,0
CCN(CC)CCn1c(=S)[nH]c2cc(C(=O)N3CC=C(c4ccccc4)CC3)ccc2c1=O,0,0,0,0
CCN(C)CCc1c(-c2cccc(F)c2)[nH]c2ccccc12,0,0,0,0
O=C(Nc1nc(-c2ccccc2)cs1)c1cccs1,0,1,0,0
COc1cccc(Sc2c(C(=O)O)n(Cc3ccc4c(c3)OCO4)c3cc4c(cc23)OCO4)c1,0,0,0,0
CCCC(NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)NCc1ccccc1,0,0,1,0
c1ccc(CN2CCCc3cc(OCCCN4CCCCC4)ccc3C2)cc1,0,0,0,0
CC(=O)CSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1,0,0,0,0
CN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2cccc(Br)c2)cc1,0,0,0,0
COc1cc(Nc2cc(Oc3ccc(C)nc3)ccn2)cc(OC)c1OC,0,0,0,0
CN(C)CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,0,0,0,0
CN(Cc1ccco1)c1ncnc2ccc(-c3ccccc3C(F)(F)F)cc12,1,0,0,0
CCCN1C(C)=CC=C2C(=O)NC(N)N=C21,0,0,0,0
CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)C1,0,0,0,0
Cc1c(C2(O)C(=O)Nc3ccc(F)cc32)c(=O)n(-c2ccccc2)n1C,0,0,0,0
Cc1cc[n+](-c2[nH]c(=O)sc2/C=N/NC(=S)Nc2ccccc2)cc1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(=O)CO)CC5)c34)cc2)n1,0,0,0,0
Cc1nc2n(n1)C(=O)C(C(c1ccco1)N1CCN(c3ccccc3)CC1)S2,1,0,0,0
CC(=O)C1=C(c2cccc([N+](=O)[O-])c2)N(C(C)=O)n2c(nnc2-c2ccc(C)cc2)S1,1,0,0,0
Nc1cc(=O)nc(SCC=Cc2ccccc2)[nH]1,1,0,0,0
Cc1ccc(-c2[nH]c(=S)[nH]c(=O)c2C#N)cc1,0,0,0,0
CCn1c(=O)cc(OCC(=O)Nc2ccc(C)cn2)c2ccccc21,1,0,0,0
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ncccn3)CC2)cc1OC,1,0,0,0
C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCC(=O)O)cc2)cc1,0,0,0,0
CSC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21,0,0,0,0
O=C(N/N=C\c1ccc(OC(=O)c2cccs2)cc1)c1ccc(Cl)cc1,1,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(Cl)cc1,0,0,0,0
CCCS(=O)(=O)N1CCCC(C(=O)Oc2ccccc2Cl)C1,0,0,0,0
CC1(C)CN2C(=O)c3ccccc3C2(C)S1,0,0,0,0
CS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1,1,1,0,0
CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C4CC4)ccc2C)CC3)[C@@H](C)C1,0,0,0,0
COc1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1,0,0,0,0
CN(C)C(=O)c1ccc(N(Cc2ccc(F)cc2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)NCCn2c(C)cc3ccccc32)c(C)c1,0,0,0,0
Nc1nc2sc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1,0,0,0,0
CCCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0,0,0
CCCN(CCC)CCCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1,0,1,0,0
CC(C)NC(=O)N1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1,0,0,0,0
COC(=O)c1sccc1NC(=O)c1cc(-c2cc(C)ccc2C)nc2ccccc12,1,0,0,0
COC(=O)c1cccc(C2(C#N)CCC(CNc3ncccc3NC(=O)CC(F)(F)F)CC2)c1,0,0,0,0
CCc1ccc2nc(N3CCC(C(=O)O)CC3)sc2c1,0,1,0,0
CC1CC(C)CN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1,0,0,0,0
CCn1nc(CC(C)C)cc1C(=O)N1CCCC(Nc2ccc(F)cc2)C1,1,0,0,0
C=CC(=O)Nc1cc(-c2ccccc2)no1,0,0,1,0
O=c1cc(-c2cccc(-c3ccc(O)cc3)c2)sc(N2CCOCC2)c1,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccc(Cl)cc1,0,0,0,0
Cc1ccc2nc(N/C(=N/S(=O)(=O)c3cccs3)c3ccccc3Cl)sc2c1,1,0,0,0
CC1CCc2c(sc3nc(CSc4ncn[nH]4)[nH]c(=O)c23)C1,0,1,0,0
COc1ccc(/C=C2\CCOC2=O)cc1,0,0,0,0
Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1,0,0,0,0
Cc1ccc2nc(Nc3nc(=O)c4ccccc4n3C)nc(C)c2c1,0,1,0,0
O=C(O)Cc1cc(Cl)c(=O)n(Cc2ccccc2S(=O)(=O)c2ccccc2)c1,0,0,0,0
NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(F)cc4)nn23)cc1,0,0,0,0
OCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
CC(C)n1nc(-c2cnc3[nH]cc(C(F)(F)F)c3c2)cc1C1CCN(C2CCC2)CC1,0,0,0,0
CO[C@H]1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1,0,0,0,0
COc1cccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)c1,0,1,0,0
CCc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)cc1,0,1,0,0
CCCCC1(CC)C(=O)NC(=O)N=C1Nc1ccc(OC)cc1,0,0,0,0
O=C(OCC(=O)N1CCCCCC1)c1cccc(Cl)c1,0,0,0,0
CC(CC(=O)Nc1cc(Cl)ccc1C)=NNC(=O)C(=O)N1CCCC1,1,0,0,0
COc1ccc([N+](=O)[O-])cc1NC1CCN(C(=O)c2cccs2)CC1,0,0,0,0
CN(C)C1=NC(=O)C(=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1,0,0,0,0
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(NCCC2CCN(C)CC2)nc1,0,0,0,0
Brc1cccc(-c2nnc3n2CCCCC3)c1,0,0,0,0
Nc1ccc(N2CCN(c3ccccc3)CC2)c(F)c1,0,0,0,0
CO[C@H]1CCN(c2nc(-c3c(C)cccc3C)nc3c2CN(c2cc(C(C)C)nn2C)CC3)[C@@H](C)C1,0,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(OCC(=O)O)cc2)c(C(F)(F)F)n1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2nc(-c3ccc(C)cc3)n3c2CCCCC3)CC1,1,0,0,0
O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNC(CO)C3,0,0,0,0
NC(=O)c1cccc2c1C(=O)N(CCN1CCOCC1)C2,0,0,0,0
CCOc1ccc(CNCCSc2nnnn2C)cc1,0,0,0,0
COc1cc(Nc2ncc(-c3nc4cnccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1,0,0,0,0
C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c1,1,0,0,0
COC1CC(Oc2cc(F)c(F)c(-c3ccc4c(c3)CC[C@H](CCc3nn[nH]n3)O4)c2)C1,0,0,0,0
O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)C1CC(=O)N1CCCCO1,1,0,0,0
CC(C)(C)C1CCc2c(C(=O)NNC(=O)CCC(=O)O)csc2C1,1,1,0,0
CCOc1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1,1,1,0,0
O=S1(=O)CC(O)C(N2CCC(c3ccccc3)CC2)C1,0,0,0,0
Cc1ccc(C=Cc2onc(C)c2S(=O)(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)cc1,1,0,0,0
Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccccc1,1,1,0,0
CCS(=O)(=O)c1ccc2c(c1)NC(=O)C(CCCl)O2,0,0,0,0
Cc1[nH]nc2ncc(C(=O)c3cc(Cl)cc(Cl)c3O)cc12,1,0,0,0
Cc1c(Cl)c(=O)oc2cc(NCc3ccccc3O)ccc12,0,0,0,0
CCCOc1ccc(C2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc1,0,0,0,0
CN(C)c1ccc(C2=N/C(=C3\C=CC=CC3=O)ON2)cc1,1,0,0,0
C[C@]12CC[C@H]3[C@@H](CCC4CC(=O)CC[C@@H]43)[C@@H]1CC[C@@H]2O,0,0,0,0
O=S1(=O)CCN(c2ncc3cc(-c4ccccc4)c(-c4ccc(CN5CCC(c6nc(-c7ccccn7)n[nH]6)CC5)cc4)nc3n2)CC1,0,0,0,0
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccccc2)c(O)c1,0,0,0,0
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1,1,0,0,0
CCOC(=O)C1=c2c(=Cc3ccccc3OC)c(N)c(C#N)n2C(=O)C(c2ccccc2OC)S1,1,0,0,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2c(C)cccc2C)CC1,1,0,0,0
Nc1cc(C(=O)N2CCCC2)cn2nc(-c3ccco3)nc12,0,0,0,0
O=S(=O)(c1ccc(F)cc1)c1cc(F)c2oc3c(c2c1)CNCC3,0,0,0,0
C=C(C)C12CC(C)C34OC(Cc5ccccc5)(OC1C3C=C(COC(=O)Cc1ccc(O)c(OC)c1)CC1(O)C(=O)C(C)=CC14)O2,1,0,0,0
COc1cc(NC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc(OC)c1OC,1,0,0,0
COc1cc2c(Nc3c(Cl)ccc4c3OCO4)ncnc2cc1OCC1CCN(C)CC1,0,0,0,0
CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1cccc(C#N)c1)c(=O)n2C,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1,0,0,0,0
Cc1cc(C(=O)CSc2nc3ccccc3[nH]2)c(C)n1Cc1ccco1,1,1,0,0
CCc1cc(-c2noc(-c3cc(C)nc(CN4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO,0,0,0,0
CS(=O)(=O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2O)c2cccnc21,0,0,0,0
Cc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccc(F)cc3)c12,0,0,0,0
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(COC[C@H]6CNCCO6)c45)ccc32)c1,0,0,0,0
Fc1ccc2c(c1)[C@@H](OCc1ccc(Cl)c(Cl)c1)[C@@H](Cn1ccnc1)S2,0,0,0,0
CN1C(=O)N(c2ccc(C#Cc3cncnc3)cn2)CC1(C)C,0,0,0,0
CCc1cc2c3c(c(=O)oc2cc1OC)CCCC3,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C(C)C)C(=O)C4)ncn3)c2c1,0,0,0,0
O[C@H]1CCCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)C1,0,0,0,0
CCOC(=O)N1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,1,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1-c1nccn1C,0,0,0,0
Cn1cc(-c2ccc(-c3cncc4ccc(-c5ncco5)cc34)cc2)cn1,0,0,0,0
CC(C)CCN1C(=O)c2ccc(C(=O)OCn3nnc4ccccc4c3=O)cc2C1=O,1,0,0,0
S=c1[nH]nc(C2CCCCC2)n1/N=C/c1ccco1,0,0,0,0
COc1ccc(-c2cc(C(=O)NNC(=S)NC(=O)c3c(-c4ccccc4)noc3C)[nH]n2)cc1,0,1,0,0
C/C(=C\c1ccc(C(C)c2cccnc2)cc1)C(=O)O,0,0,0,0
COc1ccc(CCNC(=O)CC2SC(=NCc3ccccc3)NC2=O)cc1,1,0,0,0
CC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O,0,0,0,0
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n([C@H](C)CNC3CCCC3)c2=O)c1,0,0,0,0
COc1ccc(-c2cnc(C(=O)N3CCN(c4ccc5cc[nH]c5c4)CC3)nc2-c2ccc(C)cc2)cc1,0,0,0,0
Nc1ncnc2c1sc1cc(-c3cccc(NC=O)c3)ccc12,0,0,0,0
O=C(COc1ccc(Br)cc1Cl)NC(=O)NC1CCCC1,0,1,0,0
CN1C(=O)N(c2ccc(C#Cc3cccc(Cl)c3)nn2)CC1(C)C,0,0,0,0
CC(C)c1ccc2sc3ccccc3c(=O)c2c1,0,1,0,0
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,0,0,0,0
O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Br)cc2)cc1,0,0,0,0
CC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccc(O)cc2)N2C[C@@H](Cc3ccccc3)N=C12,0,0,0,0
COc1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1,0,0,0,0
O=S(=O)(c1ccc2nc(-c3ccccc3)[nH]c2c1)N1CCN(c2cccc(Cl)c2)CC1,0,0,0,0
COc1cccc(N2CCN(S(=O)(=O)c3ccc4nc(-c5ccccc5)[nH]c4c3)CC2)c1,1,0,0,0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(Oc4ccccc4)cc3)C[C@@]21C,0,0,0,0
C=CC(=O)N1CCC[C@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,0,0,1,0
COc1cc(/C=N\Nc2cc(=O)n(C)c(=O)n2C)ccc1O,0,0,0,0
CCCc1nc(C)c2c(NC(=O)OCC)nc3ccc(OC)nc3n12,0,0,0,0
CC(C)(C)OC(=O)NCCOc1cccc2c1cnn2-c1ccccc1F,0,0,0,0
COC1CCCCC1Nc1ccc(C)c(C)c1,0,0,0,0
COc1ccccc1C(=O)N1CC2C(=O)N(C)C(=O)C2C12CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2,0,0,0,0
CN(C)c1ccc(Nc2nc(N)c3ccccc3n2)cc1,0,1,0,0
Cc1cccc(Nc2nnc(SC/C(O)=C(\C#N)c3nc4ccccc4[nH]3)s2)c1,0,1,0,0
Cc1ccccc1COC(=O)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1,0,0,0,0
CCCCCCCCCCN(C=O)C1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0
COc1ccc(NC(=O)Nc2cccnc2)cc1,0,1,0,0
CCN(CC)CC(=O)N1CCc2cc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)cc21,0,0,0,0
CCOC(=O)c1sc2ncnc(N3CCN(C(=O)OCC)CC3)c2c1C,1,0,0,0
CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCCc2ccccc2)c2sccc23)cc1,1,0,0,0
O=C(N[C@@H](Cc1ccccc1)C(=O)NCC=NO)OCc1ccccc1,0,0,1,0
CC#CC(CC(=O)O)c1ccc(OCc2ccccc2-c2ccccc2)cc1,0,0,0,0
COc1ccc(CSc2nnc(-c3ccc4occc4c3)o2)cc1C(F)(F)F,0,0,0,0
Cc1nc2c(=O)n(-c3ccc(F)cc3F)nc(C)c2s1,0,0,0,0
CCCCCNc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12,0,0,0,0
S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,1,0,0
O=C1C2Cc3c([nH]c4ccccc34)C(c3ccc(Cl)cc3)N2C(=O)CN1CCO,1,0,0,0
Cc1c(C(=O)Nc2ccc3c(c2)OCCO3)cnn1C,0,1,0,0
CC1Cc2cc(C(=O)C3=C(O)C(=O)N(CCN(C)C)C3c3ccccc3F)ccc2O1,0,0,0,0
COc1ccc(N2C(=O)CSCC2=O)cc1OC,0,0,0,0
CCc1ncnc(N(C)C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1,0,0,0,0
CCOC(=O)COc1cc(Br)c(C2NC(=O)NC(C)=C2C(C)=O)cc1OCC,0,0,0,0
O=C(Oc1ccc(-c2nnco2)cc1)N1CCOCC1,0,0,0,0
O=C(C=Cc1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,1,0,0,0
O=C(OCc1ccccc1)C1CCCN1C(=O)c1ccccc1[N+](=O)[O-],0,0,0,0
O=c1[nH]c(O)c(C=Nc2ccc(CN3CCCCC3)cc2)c2cc(-c3ccoc3)ccc12,0,0,0,0
Cn1cnc(Nc2ncc(Cl)c(NC3CCC4(CC3)CCN(C(=O)CC#N)CC4)n2)c1,0,0,0,0
COC(=O)CC(=O)CSc1nc2cc(C(=O)NC(C)C)ccc2c(=O)n1CCc1ccccc1,1,0,0,0
CC(C)CN1CCN(Cc2ccccc2C(F)(F)F)CC1CCO,0,0,0,0
CN(C)CCCc1cc(Cl)cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1,0,0,0,0
COc1cnc2c(NCc3nnc4ncc(-c5ccccc5)nn34)ccnc2c1,0,0,0,0
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccnc2)c2cc(Cl)ccc2C)cc1,1,0,0,0
CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12,0,0,0,0
COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12,0,0,0,0
COc1ccc(C(=O)Cc2ccc3c(c2)OCO3)c(O)c1,0,1,0,0
O=C(c1ccc(C(=O)C2CC2)c(C(=O)O)c1)c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1,0,0,0,0
CCCCCCCCCc1ccc(CN[C@H]2CCC[C@H](P(=O)(O)O)C2)cc1,0,0,0,1
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(C)C)CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)C(C)C)NC1=O,0,0,0,0
CCc1nc2nc(C)cc(Nc3ccc(OC)cc3)n2n1,0,0,0,0
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccccc4)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
CC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1,0,0,0,0
O=C(O)c1cccc(CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1,0,0,0,0
COc1ccc(-c2nc3cnc(OC)nc3n(CCC#N)c2=O)cc1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)c(F)c3)oc2c1,0,0,0,0
COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)C)nc3[nH]cc(C#N)c23)cc1OC,0,0,0,0
Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(C(C)C)cc2)c1O,0,1,0,0
O=c1ncn(Cc2ccsc2Cl)c2nc(N3CCOCC3)sc12,0,0,0,0
O=S(=O)(N=C(c1ccccc1F)N1CCCCC1)c1ccccc1,0,0,0,0
O=c1[nH]nc(SCc2cccc(-c3ccccc3)c2)[nH]c1=O,0,0,0,0
Cc1cc(NS(C)(=O)=O)c(=O)n(Cc2c(F)cccc2Cl)c1,0,0,0,0
O=C(C1=CC2C3C(=O)N(c4ccccc4)C(=O)C3C(C(=O)c3ccc(Cl)cc3)N2C=C1)c1ccccc1,1,0,0,0
CC(=O)Nc1ccc(OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)cc1,0,0,0,0
N#Cc1ccc(-c2cccc(S(=O)(=O)N3CCCCC3c3ccccc3)n2)cc1,0,0,0,0
CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4cnc(N)cc4c3)CC1)C2,0,0,0,0
C#CCSc1nc(-c2cccs2)ccc1C#N,0,0,0,0
CCOC(=O)C1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1ccc(C(F)(F)F)cc1Br,0,0,0,0
Cc1csc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])n1,0,1,0,0
CC(=O)c1ccc2c(c1)Cc1cc(C(C)=O)ccc1-2,0,0,0,0
CC1=C(C(=O)OCC2CCCO2)C(c2ccc(C)o2)C2=C(CC(c3ccc(F)cc3)CC2=O)N1,1,0,0,0
CC(C)(C)C1CCc2c(C(=O)NNC(=O)C=CC(=O)O)csc2C1,0,0,0,0
Cc1cc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)oc2cc1C,0,1,0,0
CNC(=O)Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccnc4)nc32)cc1Cl,0,0,0,0
O=C(N/C=C/c1ccccc1)c1ccccc1,0,1,0,0
COc1cccc(-c2cc(C(=O)NCC3CCCO3)c3cc(C)cc(C)c3n2)c1,1,1,0,0
COc1ccccc1Nc1nc2ccc(C)cc2n2cnnc12,0,0,0,0
CCN(CC)C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1,0,0,0,0
O=S(=O)(NN=CC=Cc1ccccc1)c1ccc(Br)cc1,0,0,0,0
COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ncccc4n3c2=O)cc1,0,0,0,0
Cc1cccn(Cc2c(F)cccc2Cl)c1=O,0,0,0,0
O=C1NC(=O)C(=Cc2ccc(OCCCCc3ccccc3)cc2)S1,0,0,0,0
O=C(NCCc1cccc(Cl)c1)c1cccs1,0,1,0,0
COc1ccc(C2CCN(c3cccc(F)c3)C2=O)cc1OCCN1CCCCC1,0,0,0,0
O=S(=O)(c1cccc(F)c1)N1CCC(CCc2ccc(F)cc2F)CC1,0,0,0,0
Cc1cc(Nc2nc(CC3(C(=O)NC4CC4)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1,0,0,0,0
COc1cc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)ccc1O,0,0,0,0
CCc1cc2c(C(=O)c3cc(Br)c(O)c(Br)c3)c(OC)ccc2o1,0,0,0,0
COC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0,0,0
O=c1[nH]c(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1,0,0,0,0
Cc1cc(C)c2nc(NC(=O)c3cccc(S(=O)(=O)N4CCc5ccccc54)c3)sc2c1,1,0,0,0
O=C(c1cccc(COc2ccc(Cl)cc2Cl)c1)N1CCN(c2ccccn2)CC1,1,1,0,0
CCSc1nnc2c(Cl)cc(Cl)cn12,0,0,0,0
Cc1cccn2c3c(c(=O)nc12)C(c1ccc(F)cc1)CC(=O)N3,0,0,0,0
COCCSc1cnc(NC(C)=O)s1,0,0,0,0
C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(F)cc2)cc1F,0,0,0,0
CN(Cc1cccc(C(CNC(=O)OC(C)(C)C)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cnn(C)c1,0,0,0,0
CCOc1ccccc1C(=O)N(Cc1cc(OC)c(OC)c(OC)c1)c1ccccn1,0,0,0,0
O=CN1CCc2scc[n+]2-c2ccccc21,0,0,0,0
NC(=O)c1cccc2[nH]c(-c3cccc(CN4CCOCC4)c3)nc12,0,0,0,0
Cc1c(-n2c(O)c(C3=c4ccccc4=NC3=O)sc2=O)c(=O)n(-c2ccccc2)n1C,0,0,0,0
Cc1cccn2c(-c3cc(F)c(F)cc3F)c(CN3CCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)nc12,0,0,0,0
C=Cc1ccc(-c2ccc(OCC(CN3C(=O)N(C)C(C)(C)C3=O)N(O)C=O)cc2)cc1,0,0,0,0
Cc1cccc2nc(CSc3nc4cc([N+](=O)[O-])ccc4s3)cn12,0,0,0,0
NC(N)=NOCCCOc1cc(Cl)cc(C(=O)N(CCc2ccccn2)CC2CC2)c1,0,0,0,0
CCOc1ccccc1C(=O)N(Cc1cccs1)c1ccc(Cl)cc1,0,0,0,0
CC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C,0,0,0,0
COc1ccc(C2=Nc3nc(-c4ccccc4)cn3C(c3ccc(OC)cc3)C2)cc1,1,0,0,0
CNC(=S)NN=C(C)c1ccc(N2CCOCC2)cc1,0,0,0,0
O=C(O)CC1CCCC(c2ccccc2)C1=O,0,0,0,0
NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2ccccc2)cc1,0,0,0,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(O)cc4)cs3)cc2)no1,0,1,0,0
CN(C)N=Nc1ccc(-c2cn(Cc3ccccc3)cn2)cc1,0,1,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOC[C@@H]4C)ncn3)c2c1,0,0,0,0
CNS(=O)(=O)c1ccc(F)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
COc1ccc(C2C3C=CCCC3(C)C(=O)N2Cc2ccccc2)cc1Cl,0,0,0,0
CNC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,0,0,0,0
COc1ccccc1CNC(=O)C1=C(C)C(=O)OC12CCC(C)CC2,0,0,0,0
COc1cc2c(C)[nH]c(=O)c(Cc3ccncc3)c2cc1OC,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3Cl)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
O=C(CSCCO)Nc1ccc(C2CCCCC2)cc1,0,1,0,0
CCOC(=O)C(C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1,0,0,0,0
COC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
COc1cc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2cn1,0,0,0,0
COC(=O)C1C2CCC(CC1c1ccccc1)O2,0,0,0,0
CCN1CCN(Cc2cc(Br)ccc2O)CC1,0,0,0,0
Cc1ccc2nc(C(=O)N3CCCC(Nc4ccc(F)cc4)C3)cn2c1,0,0,0,0
Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)CC(c1ccc(Cl)cc1)C2,0,0,0,0
CC(C)(C)NC(=O)C(c1ccncc1)N(Cc1cccs1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1,1,0,0,0
NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1ccncc1,0,0,0,0
O=C(c1ccccc1)N1CCN(C(=O)c2ccccc2)CC1,0,0,0,0
CCc1ccc2nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)sc2c1,0,1,0,0
Oc1cccc(Nc2nc(SC3CCCC3)nc3c2cnn3CC(Cl)c2ccccc2)c1,0,0,0,0
Cc1ccc(C)c(Oc2coc3cc(O)ccc3c2=O)c1,0,0,0,0
Cc1ccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)cc1,1,0,0,0
CN(Cc1cccc(-n2cccn2)c1)C(=O)CCc1nnc(C2CCCCC2)o1,1,1,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1,0,0,0,0
CCC(=O)Nc1nnc(Cc2ccccc2)s1,0,0,0,0
CCOc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1,0,0,0,0
CCCCN(C)C(=O)C1CCN(Cc2cccnc2)CC1,0,0,0,0
O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1,0,0,0,0
CC(O)(CS(=O)(=O)Cc1ccccc1)c1ccccc1Cl,0,0,0,0
OC1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(Cl)cc21,0,0,0,0
CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1,0,0,0,0
O=C(NC1CCCCC1)c1cccc(S(=O)(=O)N2CCOCC2)c1,1,0,0,0
CCC(=O)Nc1nnc(SCc2cc(=O)c3cc(C)ccc3[nH]2)s1,0,0,0,0
CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc(C)c1-c1ccccc1,1,0,0,0
Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
COc1ccccc1C=CCN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1,1,0,0,0
COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)cc1,1,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NCC(=O)N1CCOCC1,0,0,0,0
O=C(Nc1ccccc1)n1ccnc1,0,0,1,0
CCOC(=O)Cc1csc(CC(N)=O)n1,0,0,0,0
COC(=O)[C@H](c1cccc(I)c1)[C@H]1CCCCN1,0,0,0,0
Cc1cccc(/C(N)=N/OC(=O)c2cccnc2)c1,0,1,0,0
Clc1cccc(-c2nnnn2Cc2cccnc2)c1Cl,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(NS(C)(=O)=O)cc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
Cc1ccc(N(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1,0,0,0,0
CC(=Nc1ccc(C)cc1)c1sc2ccccc2c1O,1,1,0,0
Cc1cc(C=C2SC(=S)N(C)C2=O)c(C)n1-c1cccc(O)c1,0,0,0,0
O=C(OCc1ccccc1Cl)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1,0,0,0,0
Oc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1,1,1,0,0
Cc1noc2ncnc(Oc3ccccc3)c12,0,0,0,0
COc1ccc(NC(=O)c2c(F)cccc2F)cc1S(=O)(=O)Nc1ccc(Br)cc1,1,0,0,0
COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(N(C)C)nc21,0,0,0,0
CC(C)c1ccccc1Nc1ncnc2c1ncn2[C@H]1OC(CO)C(O)C1O,0,0,0,0
CC(C)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
NC(Cc1c[nH]c2ccccc12)c1nnc(SCc2ccc(Cl)cc2)o1,1,0,0,0
COc1cc(N2CCC(CO)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
CC(=O)N1CCCn2nc(COc3ccccc3)cc21,0,0,0,0
CCOC(=O)N1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1,1,0,0,0
CS(=O)(=O)c1nc2c(c(C(F)(F)F)n1)CCCC2,0,0,0,0
CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,0,0,0,0
Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(n(-c4ccc(F)cc4)c(=O)[nH]c3=O)N2)cc1,0,0,0,0
CCC(CO)Oc1cc(NCc2ccccc2F)c2ncn(C(C)C)c2c1,1,0,0,0
CN(C)C1C=CC2(CC1)c1ccccc1C=Cc1ccc(Cl)cc12,0,0,0,1
Cc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)o1,0,0,0,0
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CC3CCCO3)C2c2ccc(C)o2)cc1,0,0,0,0
CC12CCC(C(=O)N3CCN(C(=O)C45CCC(C)(C(=O)O4)C5(C)C)CC3)(OC1=O)C2(C)C,0,0,0,0
Cc1ccc(C(C)(O)CS(=O)(=O)Cc2ccccc2Cl)cc1,0,0,0,0
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc([N+](=O)[O-])c1,0,0,0,0
COc1cccc(C2(O)CCCCC2CN(C)C)c1,0,0,0,0
O=C(N/N=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1Cl,0,1,0,0
Cc1cc(C)c2c(CN3CC(C)OC(C)C3)cc(=O)oc2c1C,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,0,0,0,0
Cc1ccc(OC(=S)Nc2ccccc2)c(C)c1,0,0,0,0
Cc1cccc(NC(=O)C2NC(=O)CC2c2ccccc2)c1C,0,0,0,0
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(F)(F)F)ccc2o1,0,0,0,0
CC12CCC=CC1C(c1ccccc1Br)N(Cc1ccccc1)C2=O,0,0,0,0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1,0,0,0,1
Cc1[nH]c(-c2ccccc2)nc1-c1cnc(-c2ccccc2)nc1,0,0,0,0
CCCN(CCC)CCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,0,0,0,0
O=C(O)/C=C\C(=O)Nc1cccc(-c2n[nH]c3cc(NS(=O)(=O)c4ccccc4)ccc23)c1,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCN(Cc2cccnc2)CC1,0,0,0,1
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)O)c1,0,0,0,0
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)c(C)c3)C(C)C2)cc1C,0,0,0,0
O=C(c1cnccn1)N1CCCC2(CCN(c3ccncc3)C2)C1,0,0,0,0
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(C)O)nc21,0,0,0,0
Cc1ccc(-c2cn3ccc(-c4nc5c(C)ncc(C)n5n4)cc3n2)c(C)c1,0,0,0,0
COc1cccc(NC(=O)C(C)n2c(=O)cc(C(F)(F)F)c3c(C)nn(C)c32)c1,1,0,0,0
Cc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(O)c2c1,0,0,0,0
CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(Cc2cccs2)c1=O,0,0,0,0
Cn1c(CCNS(=O)(=O)c2ccccc2)nc2cc([N+](=O)[O-])ccc21,0,0,0,0
COn1c(SCc2cccnc2)nc2ccccc2c1=O,0,0,0,0
CCOC(=O)c1ccc(-c2c(-c3ccccc3OC)oc3ccccc23)cc1F,0,0,0,0
Cc1c(C#N)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
COc1ccc(OC)c(CN(C(=O)CF)c2ccccc2Oc2ccccc2)c1,0,0,0,0
Oc1cc(-c2ccccc2)nc(SCc2ccc(Cl)cc2)n1,1,0,0,0
CCOc1ccc(NC(=S)Nc2cccc3ccccc23)cc1,0,0,0,0
O=S(=O)(NCCc1ccccc1)c1cccs1,0,0,0,0
COc1cc(C(=O)N(C)CCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2,0,0,0,0
COc1ccc(OC)c(N(CC(=O)NC2CCCCCC2)S(=O)(=O)c2ccc(C)cc2)c1,1,0,0,0
NC(=O)c1cc(Cl)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12,0,0,0,0
CN(C)C(CNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1,1,0,0,0
c1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,0,1,0,0
COC(=O)c1onc(-c2ccccc2)c1C(=O)OC,0,0,0,0
CC(C)C(=O)NCc1ccc(Cl)c(-c2nc3cc(-c4ccc(C(F)(F)F)cc4)ccc3c(=O)[nH]2)c1,0,0,0,0
CC1=C(C(=O)OCc2ccccc2)C(c2cccnc2)c2c(n(C)c(=O)n(C)c2=O)N1,0,0,0,0
CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)C(C)(C)O,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CN2C(=O)NC(=O)C2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
COc1ccc(C(C)Cn2ccnc2NC#N)cc1OC1CCOC1,0,0,0,0
COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1N1CCCCC1,1,0,0,0
COc1ccc(S(=O)(=O)N2CCc3ccc(I)cc32)cc1N1CCNCC1,0,0,0,1
CSc1ccc(CCNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1,0,0,0,0
O=C1c2c(cccc2OC[C@H](O)CN2CCCCC2)C[C@@H]1Cc1ccccc1,0,0,0,0
CCOC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
COc1cc(N2CCCC2)ccc1C=O,0,0,0,0
CC(C)OP(=O)(OC(C)C)C(Nc1ccc([N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1,1,0,0,0
O=[N+]([O-])c1ccc(Sc2ccccc2)c2nonc12,0,0,0,0
O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CCN1CCCC31,0,0,0,0
CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)N(C)CCC3(C)C)cc1,0,0,0,0
CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1[nH]nc2ccccc12,1,0,0,0
O=C(CN1CCN(Cc2ccc(F)cc2Cl)C1=O)NCCCN1CCOCC1,1,0,0,0
CCCCCCCC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCc3cc(C)c(C(F)(F)F)cc32)cc1N1CCNCC1,0,0,0,0
Cc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1,0,0,0,0
CN(C)S(=O)(=O)c1ccc2[nH]cc(C=Cc3nc4ccccc4c(=O)n3-c3ccccc3)c2c1,0,0,0,0
CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc([N+](=O)[O-])c2)C1=O,0,0,0,0
COc1cc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc(OC)c1OC,1,0,0,0
Clc1ccc(-c2cc(-c3ccccc3Br)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
C=CCSc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0,0,0
CCOC(=O)C1CCCN(c2c(N3CCN(C4CCCCC4)CC3)c(=O)c2=O)C1,0,0,0,0
Cc1cn(-c2ccc(Br)cc2)[nH]c1=O,1,0,0,0
CC(C)=CCc1c2c(c(O)c3c(=O)c(O)c(-c4ccccc4)oc13)C=CC(C)(C)O2,0,0,0,0
NC(=O)c1cnc2cc(-c3ccc(N)cc3)ccc2c1Nc1ccccc1,0,0,0,0
COc1cc2cnc(Cl)nc2cc1OC,0,0,0,0
C=CCN1CCN(C(=O)c2oc3ccccc3c2C)CC1,0,0,0,0
O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NC/C=C/c3ccccn3)(CC1)CO2,0,0,0,0
Cc1c(F)cnc2[nH]c(=O)c(=O)[nH]c12,0,0,0,0
CCc1nc(=O)c2oc3ccccc3c2[nH]1,0,0,0,0
Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(F)cc1,0,0,0,0
C[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](CC(=O)O)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)c2cc3cc(c2)C(=O)NC[C@H](NC(=O)[C@@H](C)NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)CNC3=O,0,0,0,0
CCOC(=O)CSc1nnc(CSc2nc3sc4c(c3c(=O)[nH]2)CCC4)n1C,0,0,0,0
O=c1c(-c2ccc(Br)cc2)coc2c(CN3CCOCC3)c(O)ccc12,0,0,0,0
COc1cc([N+](=O)[O-])ccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O,0,0,0,0
CC(C)C(NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C(=O)O)C(C)C)ccc1-2)C(=O)O,0,0,0,0
Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cccc2s1,0,0,0,0
CCN(CC)CC(=O)NN(Cc1ccccc1)c1ccccc1,0,0,0,0
CCOc1ccc(-c2c(=O)n(OCc3nc4ccccc4[nH]3)c3ccccc3[n+]2[O-])cc1,0,1,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCCc1ccccc1,0,0,0,0
COc1c(Cl)cc(Cl)cc1CNc1ccc(S(N)(=O)=O)cc1,0,0,0,0
COc1cc(C(=O)Oc2c(OC)cc(C(=S)N3CCOCC3)cc2OC)cc(OC)c1OC,1,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCCN(C(N)=O)C1,0,0,0,0
CC1CCCC(NC(=O)c2ccc3c(c2)OCO3)C1C,0,1,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(S(=O)(=O)NCCC(=O)O)c2)c1,0,0,0,0
CC(C)(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,0,0,0,0
O=C(NCc1ccccc1)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
CCCCCCSc1nnc2[nH]c(=O)cc(N)n12,0,0,0,0
COCCN(C)Cc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C,1,0,0,0
COC(=O)C1=C(C(=O)OC)C2N(C)c3ccccc3C23CC(CO)N(C(=O)NCCBr)C3=N1,1,0,0,0
CCCCN(CCCC)C(=O)CN1CC(c2ccc3c(c2)OCO3)C(C(=O)O)C1c1ccc(OC)cc1,0,0,0,0
Cc1cccnc1NC(=O)Nc1ccc(Cl)cc1,0,1,0,0
O=[N+]([O-])c1ccc(N2CCCC2)c(F)c1Br,0,0,0,0
CCCc1c(C)[nH]c(N2CCN(c3ccc(F)cc3)CC2)nc1=O,0,0,0,0
Cc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3ccccc3n2)cc1,1,1,0,0
CC(=O)CCc1ccc(OCCCCN2CCC(Cc3ccccc3)CC2)cc1,0,0,0,0
CCN(CC)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23,0,0,0,0
Cc1ccc(S(=O)(=O)NC2=NN3C(=NC(c4ccccc4)=CC3c3ccc(Cl)cc3)N2)cc1,1,0,0,0
C[C@@H](O)[C@H]1C(=O)N2C(C(=O)OCOC(=O)C(C)(C)C)=C(SC3CN(C4=NCCS4)C3)[C@H](C)[C@H]12,0,0,0,0
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)CC2C,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(Cl)c1,0,0,0,0
CCOc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,0,0,0,0
CCOc1cc(-c2ccc3c(c2)OCO3)cc(=[O+]CC)c2c(C)oc(C)c12,0,0,0,1
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(C)C)C(N)=O,0,0,1,0
C[C@@H](C#N)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(Cl)c12,0,0,0,0
CCOC(=O)c1sc(/N=C/c2c(O)ccc3ccccc23)cc1C,0,1,0,0
CCn1cc(C=C(NC(=O)c2ccc(OC)c(OC)c2)C(=O)NCCN2CCOCC2)c2ccccc21,1,0,0,0
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCN(c4ccccc4)CC3)ccc2c1,0,0,0,0
CCCCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C,0,0,0,0
O=C(N/N=C/C1CC=CCC1)c1ccc(Cl)cc1O,0,1,0,0
CNS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12,0,0,0,0
Cc1cc(C)c(-n2c(Cl)cn3c(CN4CCC(c5ccccc5)C4)c(C(F)(F)F)nc23)c(C)c1,0,0,0,0
O=C1N(Cc2cccnc2)CC2CC(c3ccccc3C#Cc3ccccc3)N3CCCC123,1,0,0,0
Cc1n[nH]c(Nc2ccccc2)c1[N+](=O)[O-],0,0,0,0
O=c1[nH]c2cc(CNS(=O)(=O)c3ccccc3)ccc2n1-c1cc(Cl)c(O)cc1O,0,0,0,0
CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(F)c4)c3cc21,0,0,0,0
Cc1cc(C)n2cc(CCc3ncc(-c4cccs4)[nH]3)nc2n1,0,0,0,0
CC(C)Cn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
N[C@H](CNc1nnc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,0,0,0,0
O=c1c2c3c(sc2n(CCN2CCCCC2)c(=O)n1Cc1ccco1)CCCCC3,0,0,0,0
N#CN1CC(CNC(=O)c2ccccc2)C1,0,0,1,0
Cn1ncc(C#N)c1NC(=O)c1cc(-c2ccccc2Cl)on1,0,1,0,0
CCOc1ccc(-c2cnc(NCc3ccc(C(F)(F)F)cc3)n2C)cc1,0,0,0,0
CCOCCCn1c(=S)[nH]c2cc(C(=O)N3CCOCC3)ccc2c1=O,0,0,0,0
CSc1cnc2c(=O)[nH]c(=O)n(C)c2n1,0,0,0,0
COC[C@H]1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,0,0,0,0
COC(OC)c1ccnc(-c2ccc(OC(=O)c3cccs3)cc2)n1,0,1,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1F,0,0,0,0
Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
O=C(NCCc1ccc(Cl)cc1)c1cc(-c2ccncc2)nc2ccccc12,1,0,0,0
O=C1CC(c2ccccc2)CN1c1cccc(N2CCNCC2)n1,0,0,0,0
Cc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)nc2s1,0,0,0,0
CN(C)C(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(-c2ccccc2F)c1,0,0,0,0
Cc1ccc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1C,0,0,0,0
COC(=O)CCC(=O)Nc1nccs1,0,0,0,0
CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccc(OC)cc3)c2n1,0,0,0,0
CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)C(F)(F)F)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,0,0,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C)(C)C4)ncn3)c2c1,0,0,0,0
O=C1NC(=O)C(c2ccc(-c3cnc(N4CCOCC4)c4nc(CCc5ccc6ccccc6n5)cn34)cc2)O1,0,0,0,0
CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4ccc(Cl)cc4n3)CC2)cc1F,0,0,0,0
CC(C)(C)c1ccc(C(=O)C2CCCN(C(=O)c3ccccn3)C2)cc1,1,0,0,0
O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(Cl)c2)cc1,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2cccc(F)c2)nc2ccccc12,0,0,1,0
COc1ccc2cc(/C=N/NC(=O)c3ccc(CN(c4cccc(Cl)c4Cl)S(C)(=O)=O)cc3)c(Cl)nc2c1,1,0,0,0
Cc1csc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n1,0,0,0,0
Cc1cccc(-n2c(-c3ccccc3)cn3c4c(=O)[nH]c(=O)n(C)c4nc23)c1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3scnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1,0,0,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cccc(OC)c4)ccc3C)c(NC)n2)ccc1C,0,0,1,0
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1CCc1ccccc1,0,0,0,0
Clc1ccc(-c2n[nH]cc2-n2cncn2)cc1,0,0,0,0
Cc1ccc(-c2nnc3cccc(Cl)n23)cc1,0,0,0,0
COC(=O)c1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1,0,0,0,0
COc1ccc(-c2cc3nc(C)c(CCC(=O)NCCc4ccc(Cl)cc4)c(C)n3n2)c(OC)c1,1,0,0,0
CCOCCCNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
Cc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)Nc3ccc(C)c(S(=O)(=O)N(CC)CC)c3)c2c1,1,0,0,0
CC1C(=O)CC2C(C)(C)CCCC2(C)C1(O)CCc1ccoc1,0,0,0,0
CCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccccc1,0,0,0,0
O=c1c2[nH]c3cccc(Cl)c3c2ncn1CC1CCCO1,0,0,0,0
CS(=O)(=O)Nc1cccc(C(=O)OCCCOc2ccc(F)cc2)c1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccccc4)nc23)cc1,0,0,0,0
C#CCN(C)Cc1ccc(OCCCCN2CCN(c3cccc4c3ccn4S(=O)(=O)c3ccccc3)CC2)cc1,0,0,1,0
CCn1nc2ccc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)cc2c1C,0,0,0,0
COc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1.Cl,0,1,0,0
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2sc(CN3CCC(C(C)(C)O)CC3)nc2n1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1,0,0,0,0
CCOc1cc(-c2cnn(CCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(C)ccc3c2=O)cc1,0,0,0,0
Cc1cc(Cl)ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1,1,0,0,0
COc1ccc(C2=NN(c3ccc(C4=NNC(=O)CC4C)cc3)C(=O)C3CC=CCC23)cc1OC,0,0,0,1
CC(C)=CCCC(C)=CCCC(C)=CCN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
Oc1ccccc1-c1cc(-c2ccc3c(c2)OCCO3)n[nH]1,0,1,0,0
Cc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)c3ccncc3)cc2c1,0,0,0,0
CC(C)(C)COC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
COc1cccc(-c2ccc3c(c2)[C@]2(N=C(N)N(C)C2=O)[C@H]2COCC[C@@H]2O3)c1,0,0,0,0
COc1ccc(O)c(/C=N/NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1,0,1,0,0
C[C@@H]1N=C(c2ccnc(C#N)c2)N[C@@]1(c1ccc(F)cc1)c1ccc(F)nc1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(N(C)C)cc1,0,0,0,0
CCOC(=O)c1ccc(NC(=O)C(CC)Sc2nncn3c2cc2oc(C)cc23)cc1,1,0,0,0
C#CCCCOc1ccc2ccc(=S)oc2c1,0,0,0,0
O=C(Cc1ccc(CCCCc2ccc(C(F)(F)F)cc2)cc1)NO,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C)cc1,0,0,0,0
O=C1CSCC(=O)N1c1ccccc1,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(=O)[nH][nH]c4c3)NC(=O)NC1=O)C2,0,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(CNc3cncnc3)ccc2o1,0,0,0,0
c1cnn(-c2ccc3c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)n[nH]c3c2)n1,0,0,0,0
CC[C@@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cc(F)ccc1F,0,0,0,0
COc1cccc2c1NC(=O)[C@@H](NC(=O)[C@H](CCC(F)(F)F)[C@H](CCC(F)(F)F)C(N)=O)N=C2c1ccc(Cl)cn1,0,0,0,0
Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4cccnc4)cn23)n1,0,0,0,0
CN(C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)ccc1F,0,0,0,0
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)c(=O)c(C(=O)NCCc1ccccc1)cn2C,1,0,0,0
Cc1ccc(-c2ncccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1,0,0,0,0
c1ccc(CCCCCNCc2ccccc2)cc1,0,0,0,0
CN(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2,0,0,1,0
O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
O=c1[nH]c2ccc(NC(=S)NC3CCCCC3)cc2[nH]1,0,0,0,0
CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,0,0,0
C=CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc32)C1,0,0,1,0
CC1CC(C)CN(C(=O)c2cccc3c2-c2ccccc2C3=O)C1,1,0,0,0
CC(C)(C)OC(=O)N1CCC(OC2CCC(Oc3ccc(S(C)(=O)=O)cn3)CC2)CC1,0,0,0,0
CC12CCC(C(=O)Nc3ccc4c(c3)OCCO4)(OC1=O)C2(C)C,0,0,0,0
COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,0,0,0,0
O=C1CN(C(=O)COc2ccc(F)cc2Cl)c2ccccc2N1,0,0,0,0
CCS(=O)(=O)n1c(Cc2cccs2)nc2ccccc21,0,0,0,0
CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](Cl)[C@H]2S(=O)(=O)C1,0,0,0,0
O=C(NC1=NCCS1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,1,0,0,0
O=C(Nc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1,0,1,0,0
CC(=O)N1CCN(c2ccc(CN3CCCCN(c4ccccc4)S3(=O)=O)c(F)c2)CC1,0,0,0,0
CC(=O)c1cnc(SCCN2C(=O)c3ccccc3C2=O)nc1C,0,0,0,0
Cc1cc(Nc2cccc(C(=O)O)c2)n2ncnc2n1,0,0,0,0
CCOC(=O)C1=CCN(S(=O)(=O)c2ccc(Cl)cc2)C1c1ccc(C)cc1,0,0,0,0
Nc1nc(CN2CCN(C(=O)c3ccco3)CC2)nc(Nc2cccc(Cl)c2)n1,0,0,0,0
CN1CCC(N2CC[C@](C)(N3CCc4c(-c5cnc(N)nc5)nc(N5CCOCC5)nc43)C2)C1=O,0,0,0,0
Cc1nnc(N2CCCCC2)c2ccccc12,0,0,0,0
CC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
Cn1cc(/C=C2\Oc3cc(O)cc(O)c3C2=O)c2c(-c3ccccc3)ccnc21,0,0,0,0
Cn1cc(C2=NCC(=O)N3CCc4c(CO)cccc4C3=C2)cn1,0,0,0,0
O=C(c1ccc(F)cc1)c1cc2n(c1)CCN(CCc1ccc(CN3CCCCC3)cc1)C2=O,0,0,0,0
CCOC(=O)c1c(NC(=O)C2=C(C)N=C(S)NC2c2ccc(F)cc2F)sc(C)c1C,1,0,0,0
c1ccc(Oc2ccc(-c3ccnc4ncnn34)cc2)cc1,0,0,0,0
Cc1cccc(Nc2nc(NCCc3ccc(O)c(Br)c3)ncc2C(N)=O)c1,0,0,0,0
O=C1CN(C(=O)COc2ccc(Cl)c(Cl)c2)c2ccccc2N1,0,0,0,0
CC(=NN=C1NC(=O)C(CC(=O)O)S1)c1ccccn1,0,0,0,0
O=C(Cc1ccccc1)OCC1OC(OC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1O,0,0,1,0
CCN(CC)CCCNc1nc(/C=C/c2cccc(F)c2)nc2ccccc12,0,0,1,0
CN(C)S(=O)(=O)c1cccc(NC(=S)NNC(=O)c2cc3ccccc3cc2O)c1,1,0,0,0
O=Nc1c(-c2ccccc2)cc2ccccn12,1,0,0,0
CC(C)Cc1sc(-c2cscn2)nc1C(=O)NCCCCC(=O)NO,0,0,0,0
O=C(NN=Cc1ccc2ccccc2c1O)c1cccc(Cl)c1,1,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3F)C2)nc(C2CC2)c1Cl,0,0,0,0
CCC1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
O=C1CCCCN1CCN([C@]1(C(=O)O)C[C@H]1c1ccccc1)S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1,0,0,0,0
COC(=O)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1,0,0,0,0
O=C(O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1,1,0,0,0
Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2CCc2c[nH]c3ccccc23)n1,0,0,0,0
COC(=O)c1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)NCC(CCCCCC(=O)O)c2cccnc2)cc1,0,0,0,0
O=C(c1ccccc1)N1CCN(C(=S)NCc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
OCC1(CCc2ccccc2)CCN(Cc2cccn2-c2cccnc2)CC1,0,0,0,0
Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1,0,0,0,0
CC(=O)NC(CC(=O)N(Cc1ccccc1)c1cccc(C)c1)c1ccccc1,1,0,0,0
CCCC1=Nc2cc(C(=O)NCCc3ccccc3)ccc2Sc2ccc(C)cc21,1,0,0,0
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)CC(C)c1ccccc1,1,0,0,0
Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)CC2)CC1,1,0,0,0
Cc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
CC(=O)N1CCOc2ccc(S(=O)(=O)NCc3ccc(F)cc3)cc21,0,0,0,1
CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)C1,1,1,0,0
CC(C)OC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3,0,0,0,0
Cc1ccc(S(=O)(=O)NCc2ccncc2)c(C)c1C,0,0,0,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)c(Cl)c3)C(=O)O[C@]12C,0,0,0,0
Cc1cc(Cl)nc(-n2nc(C)cc2C)n1,0,0,0,0
Cc1ccccc1C(O)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0,0,0,0
O=C(c1cccc(Cl)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
COc1ccc(-c2cc(C(F)(F)F)nc(S(=O)(=O)CCCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1OC,1,0,0,0
CCOCCCNCC(=O)Nc1ccccc1N1CCOCC1,0,0,0,0
COc1ccc(N2CCN(C(CNC(=O)c3ccco3)c3ccco3)CC2)cc1,1,0,0,0
COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2-c2ccccc2OC)cc1,1,0,0,0
COc1ccc(OC)c(-c2c[n+](=O)c3c(n2O)CCCC3)c1,0,0,0,0
COc1ccc(-c2cc(=O)c3cc(OC)ccc3[nH]2)cc1,0,1,0,0
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(OC(F)(F)F)cc2)o1,0,0,0,0
CN(C)S(=O)(=O)N1CCN(Cc2ccccc2)CC1,0,0,0,0
CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc6c(c5)OCO6)cc4)CCCO3)CC2)CC1,0,0,0,0
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)NC3CCCC3)c2=O)c1F,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1NC1COC1,0,0,0,0
Cc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCOC(c5noc(C6CC6)n5)C4)c23)c1,0,0,0,0
CC(=O)NCc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
CS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1,0,0,0,0
CCc1cc2c(N3CCCCC3)ncnc2s1,0,0,0,0
COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cc(C)ccc4C)cc3)CC2)cc1,1,0,0,0
CC1(C)CC(=O)C/C(=N\NC(=O)Cc2ccccc2)C1,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)O)c1,0,0,0,0
S=C(NCc1ccccc1)N1CCN(C(=S)NCc2ccccc2)CC1,0,0,0,0
COc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1,0,0,0,0
CN(C)CCc1c[nH]c2ccc(Cc3nncn3C)cc12,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCC(N)=O)c5ccccc5)nc(N)n4)c3c2)cn1,0,0,0,0
COc1ccccc1NC(=O)c1sc2ncn(Cc3ccccc3C)c(=O)c2c1C,1,0,0,0
COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccncc2)cc1,0,0,0,0
CN(C)c1ccc2c3c(ccc(N(C)C)c13)COC2,0,0,0,0
CC1CCC2C(C)C(=O)OC3OC4(C)CCC1C32OO4,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cccc(Br)c3)c2=O)cc1,0,0,0,0
NC(=O)c1ccc(NCCc2ccc(Cl)c(Cl)c2)c2cncnc12,0,0,0,0
Cc1cccc(C)c1-c1nc2c(c(N3CCCC(C)(C)C3)n1)CN(c1cc(C(C)C)nn1C)CC2,0,0,0,0
O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)Nc1cccc(F)c1,1,0,0,0
NC(=O)c1ccccc1OCCCCN1CCN(c2cccc3c2ccn3S(=O)(=O)c2ccccc2)CC1,0,0,0,0
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2Cl)n(C)c1=O,1,0,0,0
COc1ccc(NC(=O)N2CC3(CCN(C(=O)c4cccn4C)CC3)C2)cc1,1,0,0,0
C=CCCN1CCC2(CC1)CN(C(=O)c1c(F)cccc1F)c1ccc(Cl)cc12,0,0,0,0
O=C(COc1ccc(F)cc1)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1,1,0,0,0
O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1nnnn1C1CCCCC1,0,0,1,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1ccccc1)[C@@H]2O,0,0,0,0
O=C1CSC(c2ccc(Cl)cc2)N1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0,0,0
Cc1cc(=O)n(Cc2ccccc2)c2c(C)cccc12,0,0,0,0
CCn1cc(C2CC(=O)NC2=O)c2ccccc21,0,0,0,0
CCN(CC)CCC(c1ccc2c(c1)OCO2)c1c(OC)cc(OC)c2ccc(=O)oc12,0,0,0,0
COc1ccc(CN[C@H]2CC2c2ccccc2)cn1,0,0,0,0
N#Cc1cc2c(N)c(C(=O)Nc3ccccc3)sc2nc1N,1,0,0,0
Cn1c2ccccc2c2ncn(Cc3ccc(F)cc3)c(=O)c21,0,0,0,0
CCOc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)n1,0,0,0,0
CN1CCN(c2nc(-c3ccoc3)nc3ccccc23)CC1,1,0,0,0
Nc1nc2nc(SCc3cccc(F)c3F)[nH]c(=O)c2s1,0,0,0,0
Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)CC2c1cccc(Cl)c1,0,0,0,0
Cc1cc2c(C(N)=O)cccc2n1-c1nc2c(c(NCc3ccccc3)n1)COCC2,0,1,0,0
Nc1ncnc2c1sc1cc(-c3ccccc3)ccc12,0,0,0,0
COc1cc2nc(N3CCC(N4CCCCC4)CC3)nc(NC3CCCCCC3)c2cc1OC,0,0,0,0
O=C1c2[nH]c3cc(-c4ccco4)nn3c(=O)c2CN1Cc1ccccc1,0,0,0,0
Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)n2O)cc1,0,0,0,0
COCCn1c(-c2ccc(Cl)cc2)cnc1SCC(=O)NCCc1ccc(OC)c(OC)c1,1,0,0,0
CC1CCCC(c2ccc(C#N)cc2-c2ccc(F)cc2)n2cncc21,0,0,0,0
COC(c1ccccc1)(c1ccncc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1,0,0,0,0
O=c1[nH]c(=O)c2c(CCCC(F)(F)F)cc(=O)oc2[nH]1,0,0,0,0
c1csc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1,0,0,0,0
CCN(CC)c1ccc(NC(=O)c2cccc(C)c2)cc1S(=O)(=O)Nc1ccccc1OC,1,0,0,0
COc1nn2cc(-c3nc4cc(Cl)ccc4o3)nc2s1,0,0,0,0
CC[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N([C@@H](CNS(=O)(=O)C(C)C)C2CC2)C1=O,0,0,0,0
OCc1cn2cc(-c3cccc(O)c3)nc(N3CCOCC3)c2n1,0,0,0,0
O=C1NC(=O)C(=CNc2ccccc2Sc2ccccc2)C(=O)N1,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)NCC2CCN(CCOc3ccccc3C(C)C)CC2)c1,0,0,0,0
C=CCNC(=O)c1cccn1-c1ccsc1C(=O)OC,0,0,0,0
CC1CC(C)(C(=O)c2ccc3c(c2)OCO3)C=C1c1ccc2c(c1)OCO2,0,0,0,0
O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCCC1CO,0,0,0,0
CN(C)CCCOc1cccc2c1nc(C(F)F)n2-c1nc(OC2CCN(C(=O)CCl)CC2)nc(N2CCOCC2)n1,0,0,0,0
COc1ccc(-c2cc3ncccc3c(OCC3CCC(=O)NC3)n2)cc1OC,0,0,0,0
CCC(C)(C)NC(=O)Cn1cnc(C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
CCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,0,0,0,0
CC1=C2CCc3cc(OCc4ccccc4)ccc3N2CCC1=O,0,0,0,0
COc1cccc(-c2nccnc2C2CN(c3nc4ccccc4s3)C2)c1,0,0,0,0
COc1ccccc1CNc1nc(-c2ccoc2)nc2ccccc12,1,0,0,0
Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2F)c1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccc(O)cc2)CC1,0,0,0,0
O=C1NC(c2ccccc2)CCO1,0,0,0,0
CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c1,0,1,0,0
N#Cc1ccc(NC(=O)N2CCCc3ccc(C=O)nc32)nc1,0,0,1,0
COc1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1,0,0,0,0
O=C1C(Br)=C(N2CCOCC2)C(=O)N1c1ccc(Cl)c(Cl)c1,0,0,0,0
Cc1ccc(C2C=C(c3ccccc3)N=C3NC(NS(=O)(=O)c4ccccc4)=NN32)cc1,0,0,0,0
CNC(=O)c1nc(NCc2cccnc2)nc2ccsc12,0,0,0,0
COc1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Cc1ccc(-n2cncn2)cc1,0,0,0,0
CSc1ccccc1Nc1nc(N2CCNCC2)nc2c(NCCC3CC3)ncnc12,0,0,0,0
CC1CCC/C(=C\Nc2ccc3c(c2)OCO3)C1=O,1,1,0,0
Cc1ccc(NC(C)c2cc(Cl)ccc2O)cc1,0,0,0,0
N#C[C@H]1CN(Cc2cccc(F)n2)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1ccccc1,0,0,0,0
C=C(/C=N/NC(=O)c1[nH]nc2c1CCC2)Cc1ccccc1,1,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(Cl)cn5)cc4=O)cc31)CCNC2,0,0,0,0
O=C(Nc1ccccc1Cc1ccccc1)c1oc2ccccc2c1COc1ccccc1,1,0,0,0
CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC3CCCCC3)cc2)s1,0,0,0,0
CO[C@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2cc(Cl)ccc2C)CC3)[C@@H](C)C1,0,0,0,0
NC(=O)c1cnc2cc(-c3ccc(F)cc3)ccc2c1Nc1ccccc1,0,0,0,0
Cn1c(N)nc2c(Oc3ccc4c(c3)CCCN(CCC(=O)O)C4=O)cccc21,0,0,0,0
Cc1cccc(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3oc4ccccc4c32)c1,0,0,0,0
O=C(OC1CNCC1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1,0,0,0,1
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]2CC[C@@H](C1)O2,0,0,0,0
CNc1nc2[nH]c(-c3cccc(OC)c3)cc2c2c1ncn2C,0,0,0,0
O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)c3)ccc12,0,0,0,0
O[C@@H](COc1cccc2ncccc12)CN1CCN(C2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(Cl)Cl)CC1,0,0,0,0
O=C(N/N=C/c1ccc(F)cc1)c1c(O)c2ccccc2[nH]c1=O,1,0,0,0
COc1cc2nc(/C=C/c3ccc(F)cc3)nc(NCCCN(C)C)c2cc1OC,0,0,1,0
CCOC(=O)CNC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C,0,0,0,0
Cc1ccccc1-c1noc(N)c1C#N,0,0,0,0
CCCCNC(=O)C(CC)Sc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1,0,0,0,0
COc1ccc(NC(=O)CCCC2CCCCC2)cc1S(=O)(=O)N1CCCCC1,1,0,0,0
O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(O)c4)CC3)cc12,0,0,0,0
Cc1ccc(C)c(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1,1,0,0,0
COCCOc1cnc(Nc2cccc(Cn3nc(-c4cnn(C)c4)ccc3=O)c2)nc1,0,0,0,0
Cc1ccc(OCc2ccc(C(=O)NN=Cc3ccccc3O)cc2)cc1,1,0,0,0
COc1cc(C2CC(=O)c3cnc(NC(C)=O)nc3C2)cc(OC)c1OC,0,0,0,0
CC(Nc1oc(-c2ccccc2)nc1-c1ccc(C(F)(F)F)cc1)c1ccccc1,0,0,0,0
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1,1,0,0,0
CCc1nn2cc(-c3nc4ccc(OCC(C)C)cc4o3)nc2s1,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCCC(F)F)c12,0,0,0,0
N#CCC(=O)Nc1ccc(C(=O)OCCCOc2ccc(F)cc2)cc1,1,0,0,0
Cc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1,0,0,0,0
Cc1cccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3[C@]3(CC(C)C)C(=O)N(c4cccc(Cl)c4)C(=O)N23)c1,0,0,0,0
CC(=O)N1CCN(c2cc3c(N[C@@H]4C[C@@H]5CN(S(C)(=O)=O)C[C@@H]5[C@H]4C)c(C(N)=O)cnn3c2)C1=O,0,0,0,0
CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC=O)[C@H]2S(=O)(=O)C1,0,0,0,0
O=C1CNCCN1CCCn1c2ccccc2c2ccnc(CN(CCCN3CCNCC3)[C@H]3CCCc4cccnc43)c21,0,0,0,0
O=S(=O)(c1cccc2nsnc12)N1CCN(c2ncccn2)CC1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCC(=O)O)NC1=O,0,0,0,0
N[C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccccc1,0,0,0,0
COc1ccc(C=C2N=C(C)OC2=O)cc1[N+](=O)[O-],0,0,0,0
CCc1cc2c(cc1N1CCN(C3CCC3)CC1)C(C)(C)c1[nH]c3nc(C#N)ccc3c1C2=O,0,0,0,0
CC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1,0,0,0,0
Cc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)s1,1,1,0,0
CS(=O)(=O)c1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1[N+](=O)[O-],0,0,0,0
CCOC(=O)c1cc(Cl)nc(Oc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CCC3)c1,0,0,0,0
CCC(C)n1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
COc1ccc(CCN=C(N)NS(=O)(=O)c2ccc(OC)cc2)cc1,0,0,0,0
COc1cccc2sc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)nc12,0,0,0,0
O=C(CCOc1ccccc1)Nc1nnc(-c2ccc3c(c2)OCCO3)o1,0,1,0,0
CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c1,1,0,0,0
CN1CCc2oc3ccc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
Cc1cc(CCCN2CCN(C)CC2)cc(C)c1S(=O)(=O)N(C)c1c(C)nn(C)c1C,0,0,0,0
COc1ccc(C(=O)O)cc1S(=O)(=O)N(C)CCc1cccnc1,0,0,0,0
COc1ccccc1CN(Cc1cccnc1)S(=O)(=O)c1ccc(-n2cnnn2)c(OC)c1,1,0,0,0
Cc1cc(CCCN2CCN(C)CC2)cc(C)c1S(=O)(=O)Nc1c(C)nn(C)c1C,0,0,0,0
C[C@@H]1CC[C@@H](Oc2cc(-c3ccccc3)ccn2)CN1C(=O)c1ccccc1-n1nccn1,0,0,0,0
Nc1cncc(Nc2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)n1,0,0,0,0
COC(=O)Cc1c(C)c2ccc(OC(=O)c3ccco3)cc2oc1=O,0,1,0,0
CC1C(c2ccccc2O)=NN(c2cccc(Cl)c2)C1c1ccc(O)c(F)c1,0,0,0,0
COc1cccc(CCCC(=O)Nc2nc3ccccc3c(=O)s2)c1,0,0,0,1
CCN(CC)CCCNc1nc(/C=C/c2ccc(OC)cc2)nc2cc([N+](=O)[O-])ccc12,0,0,1,0
COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1ccc(OC)c(OC)c1)C2=O,0,0,0,0
CCc1cc(C)c2[nH]ccc2c1C(O)(c1nc2ncc(C#N)cc2[nH]1)C(F)(F)F,0,0,0,0
COc1cccc(OCCOCC(O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,0,0,0,0
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2C2CC2)CC1)N(O)C=O)c1ncc(F)cn1,0,0,0,0
COc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)c1,0,0,0,0
Cc1cccc(CN2C(=O)CC(c3ccc(Cl)cc3)c3c(C)nn(-c4nc(C)cc(C)n4)c32)c1,1,0,0,0
C=CC(=O)Nc1cc(C)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)sc1C(N1CCOCC1)CO2,0,0,0,0
O=C(c1ccco1)N1CCN(c2ncnc3c2[nH]c2ccccc23)CC1,0,0,0,0
COc1ccc(C2C=C(c3ccccc3)Nc3nc(NS(=O)(=O)c4ccccc4)nn32)cc1,0,0,0,0
C.CC(C)C.CC(C)CC(N)C(=O)NC(C=O)CC1CCNC1=O.O=COCc1ccccc1,0,0,1,0
CCC(C)OC(=O)n1ccc(C(=O)Nc2nccs2)n1,0,1,0,0
CCOc1cc(CN2CCC(Nc3nc4cc(S(=O)(=O)CC)ccc4o3)CC2)cc(OC2CCOCC2)c1,0,0,0,0
CC(C)(O)c1cncc(-c2cn3cc(F)ccc3n2)c1,0,0,0,0
COc1ccc(C=NN(C)c2cc(=O)n(C)c(=O)[nH]2)cc1OC,0,0,0,0
CCn1c(CSc2nnc(N)[nH]2)nc2cc(C(=O)O)ccc21,0,0,0,0
COC1=CC(=Cc2c(C)[nH]n(-c3ccc(C)c(C)c3)c2=O)C=C([N+](=O)[O-])C1=O,0,0,0,0
COc1ccc(-c2nc(CN3CCCCC3c3cccnc3)c(C)o2)c(F)c1,1,0,0,0
Nc1nc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cc2o1,0,0,0,0
O=C(O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
OC1CCCN(Cc2ccc3ccc4cccc5ccc2c3c45)C1,1,0,0,0
CC1CCC/C1=N\Nc1nc(-c2ccc(C#N)cc2)cs1,0,0,0,0
O=C1C=Cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2/C1=N\Nc1cccc2ccccc12,0,0,0,0
CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3)NC(=O)[C@H]([C@@H](C)O)NC2=O)cc1,0,0,0,1
Cc1cnccc1-c1nc(-c2cccnc2)cs1,0,0,0,0
COc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1nc(C)n([C@H]3CCN(CC#N)C[C@@H]3F)c12,0,0,0,0
Cc1ccc(NC(=O)c2scc3c2CCCC3)cc1,0,1,0,0
CC1CN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)O)cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC(C)N1,0,0,0,0
CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2cc(-c3ccsc3)cs2)c1,0,0,0,0
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2cc3ccccc3c(C3CC3)n2)cc1,0,0,0,0
COCCNc1nc(NC(c2ccccc2)c2ccccc2)c2c(n1)C(=O)N(C(C)C)C2,0,0,0,0
CCCCOc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12,0,0,0,0
Cc1cc(C)cc(N(C(=O)c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)c1,1,0,0,0
CC(C)(C)NC(=O)COc1ccc(CNc2nnc[nH]2)cc1,0,0,0,0
CCn1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nc2ccccc21,1,0,0,0
CCN(CC)c1ccc(NC(=O)CN2CCN(c3ccccc3F)CC2)cc1,1,0,0,0
Cn1nc(-c2cncs2)c2ccccc2c1=O,0,0,0,0
CN1C(=S)SC(N(O)C=C2C=CC(=O)C=C2)C1(C)C,0,0,0,0
Cc1cc(Cc2cccnc2)cc(C)c1O,0,0,0,0
N[C@@H](CSC1(c2cccc(Cl)c2)c2ccccc2CCc2ccccc21)C(=O)O,0,0,0,0
CCOC(=O)c1c(Nc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc12,0,0,0,0
Cc1c(Cc2ccc(C(=O)O)cc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
COC(=O)C(c1cc(OC)c(O)c(OC)c1)(N1CCNC(C)C1)C(F)(F)F,0,0,0,0
O=C1CCNC(=O)N1c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F,0,0,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3ccccc3c2=O)cc1OC,0,0,0,0
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)Cc1n[nH]c(=O)c2ccccc12,1,0,0,0
O=C(O)Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1,0,1,0,0
COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1O[C@@H]1C[C@H]2OC[C@H](OC)[C@H]2O1,0,0,0,1
Nc1nc(NCCCCC(=O)NO)c2[nH]cnc2n1,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC(C)(O)CCCC1=CCC(C=O)CC1,0,0,1,0
CC(N)C1(c2ccc(OC(F)(F)F)cc2)CCCCC1,0,0,0,0
COc1ccc(N2CCN(C(=O)CN(CCc3ccccc3)S(C)(=O)=O)CC2)cc1,1,0,0,0
Cc1cc(S(=O)(=O)/N=C(/N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,0,0,0,0
NCc1cc(-c2cccnc2)n[nH]1,0,0,0,0
Cc1ccc(C2=NC(=O)/C(=C/c3ccc(OC(=O)N4CCOCC4)cc3)S2)cc1,0,0,0,0
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)NC(C)(C)C)c3n2)c1=O,0,0,0,0
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NCc3cccc4ccccc34)nc(Cl)nc21,0,0,0,0
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4c(Br)cccc43)C2)n1C,0,0,0,0
CC12CCC(C(=O)Nc3cccnc3)(CC1=O)C2(C)C,0,0,0,0
O=c1c(O)c(O)c(Br)c2ccc(Br)c(O)c(O)c1-2,0,0,0,0
Nc1ccc(S(=O)(=O)c2cc(Br)nc(N3CCCC3)c2)cc1,0,0,0,0
C[C@]12CCNC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12,0,0,0,0
COc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1,0,0,0,0
COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(Cl)c(Cl)c1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3c(F)cccc3F)c(F)c2)CC1,0,0,0,0
COc1ccc2c(OCc3nnc4ccc(-c5ccc6nccn6c5)nn34)ccnc2c1,0,0,0,0
CCn1c2ccccc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
CCCCNC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1,0,0,0,0
Cc1cc2ccccc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1,0,0,0,0
CCN(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21,1,0,0,0
CCOC1=C(Nc2ccc(C)cc2)C(Cl)C(=O)O1,0,0,0,0
CSc1cccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1,1,0,0,0
COCCN(C)S(=O)(=O)c1cnc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c(C)c1,0,0,0,0
Nc1cccc(F)c1C(=O)N1CCC[C@H]1B(O)O,0,0,1,0
COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(ccc(C)c35)C(=O)N4)cc2)cc1,0,0,0,0
CCCc1c(COc2ccc(/C=C3\SC(=S)NC3=O)cc2)ccc(C(=O)c2ccccc2)c1O,0,0,0,0
Cc1cc(-c2nc3cnc(OCC4CC4)cc3n2C(C)c2cccnc2)cn(C)c1=O,0,0,0,0
COc1ccc(C2C=C(c3ccccc3)N=C3NC(NS(=O)(=O)c4ccc(C)cc4)=NN32)cc1,0,0,0,0
COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1,1,0,0,0
CC(C)(C)c1nnc2sc(SCC(=O)N3CCCc4ccccc43)nn2c1=O,1,0,0,0
Cc1ccc(C)c(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c1,0,0,0,0
CCC1(CC)C(=O)N=C(NCCc2c[nH]c3ccccc23)NC1=O,0,0,0,0
N#Cc1ccc(-c2ccc3oc(CCn4ccnc4)cc3c2)cc1,0,0,0,0
COP(=O)(OC)C(Nc1ccc(C(=O)O)cc1)c1ccccc1,0,0,0,0
COc1ccc(N(Cc2cccs2)C(=O)c2ccc(OCC(C)C)cc2)cc1,1,0,0,0
Cc1cccc(/C(N)=N/OC(=O)Cc2cccs2)c1,0,1,0,0
CC(C)(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)c1,0,0,0,0
Cn1cc(-c2cc(OCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1C2SC(C)(C)C1C(=O)NCCCOC(C)C,1,0,0,0
Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc(C)c1F,0,0,0,0
COc1ccc(NS(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)cc1,1,0,0,0
CSc1ccc(C2CN(C)Cc3cc(Oc4cc(CN5CCCCC5)ccn4)ccc32)cc1,0,0,0,0
Cc1cccc(CCNC(=O)c2cccc(N3CCCC3=O)c2)c1,0,1,0,0
Cc1c(C2c3ccccc3S(=O)(=O)N2C(C)C)c2ccccc2n1CC(=O)O,0,0,0,0
COCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)C1c1ccc(C)o1,0,0,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2OC)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cc1ccc(N2C(=O)C3C(C2=O)C(C(=O)c2ccc(Cl)cc2)N2C=CC(C(=O)c4ccccc4)=CC32)cc1,1,0,0,0
COc1nc(C)nc(Cl)c1NC1=NCCN1,0,0,0,0
O=c1c(-c2ccccc2)nc(-c2ccccc2)cn1O,0,0,0,0
CC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@H]5CCC[C@H]5O)c4n3)nc2)CC1,0,0,0,0
O=C(O)CSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1,0,0,0,0
O=S(=O)(Nc1ccccc1N1CCCCC1)c1cccs1,0,0,0,0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc12,1,0,0,0
CO[C@H]1C(=O)N2C(C(=O)N(C)CC(=O)OC(C)(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12,0,0,0,0
CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(Cl)cccc32)CC1,0,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCCNCC6)cc5c4)n3c2)cn1,0,0,0,0
Nn1cnc2c([nH]c3ccccc32)c1=O,0,0,0,0
CC(C)COP(=O)(OCC(C)C)C(Nc1ccccc1)c1ccccc1,0,0,0,0
C/C=C(/C)C(=O)O[C@@H]1c2cc3c(c4c2[C@@]2(CO4)C(=O)C(OC)=C(OC)C=C2C[C@@H](C)[C@H]1C)OCO3,0,0,0,0
COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cncnc21,1,0,0,0
COc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cn1,0,0,0,1
C[C@H]1Cc2cc([C@H]3CN4CCN(C(=O)Cc5ccc(-n6cnnn6)nc5)C[C@@H]4CO3)ccc2C(=O)O1,0,0,0,0
CCOC(=O)N1CCN(c2c(NCCCN(CC)c3cccc(C)c3)c(=O)c2=O)CC1,0,0,0,0
CNC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
O=C1NC(=O)C2(CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)N1,0,0,0,0
CC(C)(C)c1nc2cc(S(=O)(=O)c3ccco3)ccc2n1CC1CCOCC1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(N)=O)CC5)c34)c(C)c2)n1,0,0,0,0
Cc1nnc2n1-c1ccc(C#CCN3C(=O)COc4ccccc43)cc1C(c1ccccc1F)=NC2,0,0,0,0
S=c1[nH]ncn2c1cc1oc3ccccc3c12,0,0,0,0
CNS(=O)(=O)c1ccc(N2CCCC2C)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
CCCCCN1N=C(C)CC1=O,0,0,0,0
O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(O)cc1,0,0,0,0
ONC=Nc1nonc1-c1cccnc1,0,0,0,0
Cl.OC(CCCCN1CCCCC1)c1ccccc1,0,0,0,0
c1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1,0,0,0,0
Brc1cnc(NCc2ccncc2)nc1Nc1cc(C2CC2)[nH]n1,0,0,0,0
COc1cc2nncc(-c3ccc(N4CCC(C)(O)CC4)nc3)c2cc1OC,0,0,0,0
Cc1cccc2c1O[P@@](=O)(OC[C@H](CO)OCn1cnc3c(O)nc(N)nc31)OC2,0,0,1,0
OC[C@H]1O[C@@H](c2cccc(Cc3ccccc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
O=S1(=O)C=Cc2cc(-c3nnnn3-c3cccc(Br)c3)ccc2O1,0,0,0,0
CCOc1ccc(C2=NN(c3ccc(C4=NNC(=O)CC4C)cc3)C(=O)C3CC=CCC23)cc1OCC,0,0,0,1
N#C[C@@H]1C[C@@H](NCc2ccccc2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccnc(F)c2)n1,0,0,0,0
CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(N(C)C)CC1,0,0,0,0
Cc1cc(C(C)C)[n+](-c2ncc[nH]2)c(C(C)C)c1,0,0,0,0
COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2,0,0,0,0
O=[N+]([O-])c1ccc(N2CCC(O)CC2)nc1,0,0,0,0
CC(C)(C)CC(C)(C)N1CNC(=S)NC1,0,0,0,0
CCc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,0,0,0,0
COc1cc(C2CCN(CCO)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
CCOc1ccc2nc(C)cc(Nc3ccc4c(c3)OCCO4)c2c1,0,0,0,0
CC1CCN(C(=O)c2c(N)sc(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)CC1,0,0,0,0
COCC(C)NC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1,0,0,0,0
CN(C)CC(C)(C)COC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
O=C(c1ccc(N2CCCC2)c(OCC2CC2)n1)N1CC2(COC2)C1,0,0,0,0
CC(C)c1[nH]ncc1-c1ccnc(NC2CCNCC2)n1,0,0,0,1
CCOC(=O)c1sc(N)nc1C(C)C,0,0,0,0
Cn1[nH]c(C(F)(F)F)c(C=NCc2ccc(Cl)cc2)c1=O,0,0,0,0
O=C(O)c1ccccc1-c1nnc2c(Cl)cc(C(F)(F)F)cn12,0,0,0,0
CC12C(=O)Nc3ccc(Cl)cc3C(=O)N1C1c3ccccc3OCC1C2c1ccccc1,0,0,0,0
c1ccc(CCCCCCCNCCc2ccccc2)cc1,0,0,0,0
CN1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3,0,0,0,0
Cc1[nH]cnc1CCCOC(c1ccccc1)c1nc2ccccc2s1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cccc(OC)c3)c2=O)cc1,0,0,0,0
Cc1nc(NCCc2ccc(F)cc2)c(C#N)c(C)c1[N+](=O)[O-],0,0,0,0
CSCCC(NC(=O)CCC(=O)OC1CCC2C3CCC4CC(=O)CCC4(C)C3CCC12C)C(=O)O,0,0,0,0
O=C(O)CNS(=O)(=O)c1ccc(C2CCCCC2)cc1,0,0,0,0
CC(C)NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0,0,0
Cc1ccc(C2CC(=O)c3cnc(N4CCc5ccccc5C4)nc3C2)cc1,1,0,0,0
COc1cc2cc(-c3ccc(CN(C)Cc4cccc([N+](=O)[O-])c4)cc3)c(=O)oc2cc1OC,0,0,0,0
CN1C(=O)C(=Cc2ccc(N3CCOCC3)o2)C(=O)N(C)C1=O,0,0,0,0
CC(Sc1cc(-c2cnn(C3CCOCC3)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,0,0,0,0
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2cnn(-c3ccccc3)c2C)C1c1cccnc1,0,0,0,0
CCOC(=O)c1sc2ncn(/N=C/N(C)C)c(=O)c2c1C,0,0,0,0
COC(=O)c1sc(N)c(C(=O)OC)c1CSc1nc2sc3c(c2c(=O)n1C)CCC3,0,0,0,0
COC(=O)CCC(=O)N=c1sc(S(N)(=O)=O)nn1C,0,0,0,1
N#CC1=CCCCC1,0,0,1,0
CCCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CCC3,0,0,0,0
Cn1c(O)c(C=NCc2cccs2)c(=O)n(C)c1=O,0,0,0,0
CCCCCCCCCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1/C=C/CCNC(=O)/C=C/[C@H](C(C)C)NC1=O,0,0,0,0
COc1ccc(-c2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1,0,0,0,0
NCCc1nc(-c2nc(C(=O)O)cs2)cs1,0,0,0,0
Cn1ccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CCOC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1,0,0,0,0
CN(C)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccccc1,0,0,0,0
CN1Cc2cc(NCCO)ccc2C(c2ccc3sccc3c2)C1,0,0,0,0
CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOCC,0,0,0,0
S=C1CSc2ccccc2N1,0,0,0,0
CCCNC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,0,0,0,0
O=C(O)CCNC(=O)CN1CC[C@H](CCc2ccc3c(n2)NCCC3)C1=O,0,0,0,0
COc1ccc(CNC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)cc1OC,1,0,0,0
COc1cc(C=O)ccc1OCCCCOc1ccccc1[N+](=O)[O-],0,0,0,0
CC1(C)Cc2c(C#N)c(NCCO)nc(-c3ccco3)c2CO1,0,0,0,0
O=C(c1ccc(C(F)(F)F)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
CCOC(=O)C(CC)Sc1nnc2[nH]c(=O)cc(C)n12,0,0,0,0
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,0,0,0,0
COc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)cc1OC,0,0,0,0
CC(C)(C)C1=NN=C2c3ccccc3C(=O)C21,0,0,0,0
NC(=O)C1CC2(CC(c3cccc(NC(=O)C4CCC(=O)N4)c3)=NO2)CN1C(=O)Cc1ccc([N+](=O)[O-])cc1,0,0,0,0
CCOc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1,1,0,0,0
CC(C)Oc1cccc(C(=O)C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)c1,1,0,0,0
Fc1ccc(-c2c(-c3ccncc3)[nH]c3cncnc23)cc1,0,0,0,0
O=C(c1ccccc1F)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0,0,0
CC1CC2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1,0,0,0,0
O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccs1,0,1,0,0
CC(C)(C#N)c1ccc(N2C(=O)OCc3cnc4ccc(-c5cnc6ccccc6c5)cc4c32)cc1,0,0,0,0
O=C(O)COc1ccc2c(c1)CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2,0,0,0,0
O=c1c2ccccc2nc(-c2ccccc2)n1Cc1ccco1,0,0,0,0
Cc1ccc2nc(NCc3ccccc3)c(C=O)c(=O)n2c1,0,0,0,0
COc1ccc(C(C#N)Nc2ccccc2OC)cc1,0,0,0,0
Nc1nc(-c2cccs2)c(CC(=O)O)s1,0,0,0,0
NS(=O)(=O)c1ccc(CCNc2ccnc3cc(Cl)ccc23)cc1,0,0,0,0
CCCCSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,0,0,0,0
Cc1ccc(OCCNCCCOc2ccccc2)cc1,0,0,0,0
COc1cccc([C@H]2O[C@H](CC(=O)N[C@@H](C)C(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC,0,0,0,0
Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3Br)ccc12,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1,0,0,0,0
O=C(c1ccncc1)N1CCC2(CCCN(Cc3ccccc3)C2)CC1,0,0,0,0
CN1CCN(C(=O)C2CCN(c3ccnc4c3c(/C=C3\Oc5cccc(O)c5C3=O)cn4C)CC2)CC1,0,0,0,0
CC(C)N1CCN(C(=O)c2coc(CN3CCOCC3)n2)CC1,0,0,0,0
C=CC(=O)N1CC[C@H](N2C(=O)N(C(C)C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1,0,0,1,0
COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1,1,0,0,0
COc1nn(C)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12,0,0,0,0
CCOc1ccc(-c2csc3[nH]cnc(=O)c23)cc1,0,0,0,0
COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cnn(C)c3)c(=O)n12,0,0,0,0
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C(F)(F)F,0,1,0,0
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)ccn1,0,0,0,0
COc1cccc(NC(=O)C(Sc2nnc(Nc3ccccc3C)s2)c2ccccc2)c1,1,0,0,0
CN(C)CCCNc1ncnc2nc[nH]c12,0,0,0,0
CN(CC(CCN1CCC2(CC1)C[S+]([O-])c1ccccc12)C1CCCCC1)S(=O)(=O)c1ccccc1,0,0,0,0
CSc1ccccc1OCCN1CCC(NS(=O)(=O)c2ccc(Cl)s2)C1,0,0,0,0
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OCC(C)C)cc2)C1c1ccncc1,0,0,0,0
Cc1csc2ncc(C(=O)Nc3cccc(C(F)(F)F)c3)c(=O)n12,1,0,0,0
Cc1cccc(-c2[nH]c(NCc3cccc(C#N)c3)nc2-c2ccc3c(c2)OCO3)n1,0,0,0,0
CCOc1cc2c(cc1OCC)C(c1ccccc1)N(c1ccc(C(=O)O)cc1)C(=O)C2,0,0,0,0
O=C(O)c1cc(C(F)(F)F)ccc1N1CC[C@H](OCCO)C1,0,0,0,0
CC1CCCCN1S(=O)(=O)c1cc2c(=O)nc3ccccn3c2cc1Cl,0,0,0,0
Cc1cc(-c2ccco2)n(-c2ccccc2)n1,0,0,0,0
C=CCN1c2ccccc2C23CC(C(=O)OC)N(C(C)=O)C2=NC(C(=O)OC)=C(C(=O)OC)C13,1,0,0,0
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1cccc([N+](=O)[O-])c1,1,1,0,0
CCOC(=O)CCc1c(C)c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)cc2oc1=O,0,0,0,0
COC(=O)N1CCOc2cc(COc3ccccc3)cnc21,0,0,0,0
CC1=C([N+](=O)[O-])C(c2ccc(Cl)cc2)NC(=O)N1,0,0,0,0
CCOC(=O)C1=C(Nc2cccc(Cl)c2)OCC1=O,0,0,0,0
COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CCN(C(C)=O)C4)CC2)c(F)c1,0,0,0,0
CC(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1,1,0,0,0
N#Cc1nc(-c2cccs2)oc1N1CCN(Cc2ccccc2)CC1,1,0,0,0
Cn1cnc2c(C#N)nc(-c3ccc(OCCN4CCNC(=O)C4)c(C(F)(F)F)c3)cc21,0,0,0,0
Cc1cc(C)c2c(=O)n(CC(=O)Nc3cccc(F)c3)sc2n1,0,1,0,0
COc1cccc(C)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
O=C(O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
O=C1CN(C(=O)COc2ccc(F)cc2Br)c2ccccc2N1,0,0,0,0
CCCCCCC1C(C#N)=C(N)OC2=C1C(=O)CCC2,0,0,0,0
C=C(C)COc1ccc(-c2[nH]ncc2-c2ccc(Br)cc2)c(O)c1,0,0,0,0
CCc1cccc(C)c1Nc1nc2ccccc2n2cnnc12,0,0,0,0
Cc1ccc(NC(=O)Nc2ncccc2C)cc1,0,1,0,0
N#Cc1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1,0,0,0,0
CCN1CCN(c2cc3nc(SC(C)(C)CCNC(=O)OC)[nH]c3cc2Cl)CC1,0,0,0,0
CC(C)(C)OC(=O)C1C(=O)CC(C)(O)C(C(=O)OC(C)(C)C)C1c1cccnc1,0,0,0,0
CCCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(O)cc1,0,0,0,0
O/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,0,0,0,0
COC(=O)c1c(C)nc(C)c(C(=O)OC)c1-c1cccs1,0,0,0,0
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(S(=O)(=O)c2ccccn2)CC1=O,0,0,0,1
Cc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1cc2cc(CNC(=S)Nc3ccc(OC(F)F)cc3)ccc2n1C,1,0,0,0
CCN1C(=O)C(CC(=O)Nc2ccc(F)cc2)N(CCCN2CCN(c3ccc(F)cc3)CC2)C1=S,1,0,0,0
Cc1nc2sc(-c3ccccc3)nn2c(=O)c1Br,0,1,0,0
O=C1C2(CCC13COC(c1ccc(O)cc1)OC3)COC(c1ccc(O)cc1)OC2,0,0,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Oc1ccc(C#N)cc1,0,0,0,0
Fc1ccc(-c2nc(-c3ccc(Br)s3)[nH]c2-c2ccncc2)cc1,0,0,0,1
CCCS(=O)(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,0,0,0,0
O=S(=O)(c1cccs1)N1CCN(CC=Cc2ccccc2)CC1,1,0,0,0
CC/C(=C\c1ccc(Cc2cccnc2)cc1)C(=O)O,0,0,0,0
COc1ccc2c(c1)c(C)c(-c1ccc(O)cc1)n2Cc1ccc(OCCN2CCCCC2)cc1,0,0,0,0
COc1cc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(C)(=O)=O)c2cc1C#N,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc(C(F)(F)F)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1,0,0,0,0
COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCC3COC)cc2)CC1,0,0,0,0
CN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1,0,0,0,0
CCOC(=O)c1c[nH]c(-n2[nH]c(C)cc2=O)nc1=O,0,0,0,0
CCOC(=O)CNC(=O)c1sc(NC(=O)c2ccccc2F)nc1C,0,1,0,0
O=C(c1cc(Cc2c[nH]c(=O)c3cccn23)ccc1F)N1CCCNCC1,0,0,0,0
CCc1cc2c(C(=O)c3cc(Br)c(O)c(Br)c3)cc(Br)c(O)c2o1,0,0,0,0
CCc1ccc(C2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCO)cc1,1,0,0,0
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(CO)cc1,0,0,0,0
CCCCNC(=O)N1CCN(Cc2cccc(F)c2)CC1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]c(C)c(C)c6c5)c4)CC3)CC2)CC1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(Cl)ccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(OC(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccs1,0,0,0,0
CCOc1cc(CN2CCN(C(=O)CC(C)C)CC2)ccc1OC.O=C(O)C(=O)O,0,0,0,0
CCN(CC)CCOc1ccc(/C(=C(/Cl)c2ccccc2)c2ccccc2)cc1,0,0,0,1
CCOc1ccc(OCC)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c1,0,0,0,0
CCC1CN(C(=O)NCc2cccc(OC)c2)c2ccccc2O1,1,0,0,0
COc1ccc(CC(C)=NNC(=S)Nc2c(C)cccc2C)cc1,0,0,0,0
CCOc1ccc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)cc1,0,0,0,0
COc1ccccc1N1CCN(Cc2c[nH]c3ncccc23)CC1,0,0,0,0
CCOC(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21,0,0,0,0
CCOc1cc(C2NCc3ccccc3-n3cccc32)ccc1O,0,0,0,0
Cn1c(=O)c2c(nc(CN3CCN(CCO)CC3)n2Cc2cccc3ccccc23)n(C)c1=O,1,0,0,0
COCCOC1CCN(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1,0,0,0,0
Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1C,0,0,0,0
Cc1c(C(=O)NCCCCO)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
CCc1nc(C)c2c([S+](C)[O-])nc3ccc(OC)nc3n12,0,0,0,0
CCC(C(=O)NC1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O,1,0,0,0
Cn1c(O)c(N=NC(=O)c2cc(-c3cccs3)nc3ccccc23)c2ccccc21,1,1,0,0
Cc1ccc(-c2nc(CN3CCCCC3CCN3CCCC3=O)c(C)o2)o1,0,0,0,0
COc1ccc(C)cc1Nc1cc(C)nc2nc(C)nn12,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(S(C)(=O)=O)CC5)c34)c(Cl)c2)n1,0,0,0,0
CC(C)(C)NC(=O)COc1ccc(CNCc2cccnc2)cc1,0,0,0,0
Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(CCCN2CCN(C)CC2)cc1Cl,0,0,0,0
COc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1,0,0,0,0
Cc1[nH]c(N2CCN(c3ccccc3)CC2)nc(=O)c1C,0,0,0,0
COc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1,0,0,0,0
O=C1Nc2ccc(Cl)cc2C(CCF)(c2ccc(F)cc2)N1CC(F)(F)F,0,0,0,0
CCc1nc(Cl)c(C#N)c2c1CCCC2,0,0,0,0
CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
Cc1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1,0,1,0,0
Cc1ccc(-n2[nH]c(C)c(/C=N/NC(=O)c3ccc(O)cc3O)c2=O)cc1,0,1,0,0
Cc1ccc(NC(=O)n2ccnc2)cc1,0,0,1,0
O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2ccccc2F)cc1,0,0,0,0
O=C1NCC2c3c(cccc31)CCN2C(=O)c1cccc(C(=O)N2CCCNCC2)c1,0,0,0,0
COc1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1,0,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(O)cc4F)cc32)cc1C,0,0,0,0
CC1CN(C(=O)c2ccccc2Oc2ccccc2)CC(C)O1,0,0,0,0
CCCCOc1ccc(C(C)=O)cc1CC1C(=O)NC(=S)NC1=O,0,0,0,0
Cc1cccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2N)c1C,0,0,0,0
COc1cc(Cn2c(-c3ccc(O)cc3)c(C)c3cc(O)ccc32)ccc1OCCN1CCCCC1,0,0,0,0
CN1C(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2C1=O,0,0,0,0
CCCc1nc(C(=O)OC)c2c(C)nc3ccc(OC)nc3n12,0,0,0,0
Cc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC3)cc1Cl,0,0,0,0
CCOc1ccc(C(NC(=O)C=Cc2ccco2)c2ccc(OC)c(OC)c2)cc1,1,0,0,0
NS(=O)(=O)c1nnc(N2C(=O)c3cccnc3C2=O)s1,0,0,0,0
CCN1CCC(Nc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0,0,0,0
CCOC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2ccccc2)C3)cc1,0,0,0,0
CCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
CC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCC1,0,0,0,0
CCCC1(C(=O)OC)NC(c2ccc(OC)cc2OC)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,0,0,0,0
COc1ccc(-c2ccc3ncc4c(c3c2)n(-c2ccc(N3CCNCC3)c(C(F)(F)F)c2)c(=O)n4C)cn1,0,0,0,0
COc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCCC2)c1OC,0,0,0,0
O=C1OCc2ccc(OCc3ccccc3)cc21,0,0,0,0
CCCNC1CCN(S(=O)(=O)CCC2CCc3ccccc3N2S(=O)(=O)c2ccc(OC)cc2OC)CC1,0,0,0,0
COC(=O)c1sccc1NC(=O)CC1C(=O)NCCN1C(=O)Nc1cc(Cl)ccc1OC,1,0,0,0
Cc1cc(-c2cnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO,0,0,0,0
[C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(S(=O)(=O)c2cnn(C(F)F)c2C)[C@H]1c1ccc(C#N)cc1S(C)(=O)=O,0,0,0,0
CCOC(=O)c1c[nH]c(N2CCN(C(=O)OCC)CC2)nc1=O,0,0,0,0
CCN1C(=O)C2C(N=CN2Cc2ccc(O)c(Br)c2)N2C1=N[C@@H]1CCC[C@@H]12,0,0,0,0
COc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cn2)N(c2cc(Cl)ccc2C)C3=O)c(OC)n1,0,0,0,0
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\OCC3CC3)c3ccc(Br)cc3)CC2)CC1,0,0,0,0
O=C(O)[C@H](Cc1ccccc1)Nc1nc2ccccc2n(C2C[C@H]3CC[C@@H](C2)N3C2CCCCCCC2)c1=O,0,0,0,0
Cc1cc(C)n2cc(CSC3=NCCS3)nc2n1,0,0,0,0
COc1cccc(Oc2c[nH]nc2-c2ccc(O)cc2O)c1,0,0,0,0
CCOc1ccc(-n2c(Nc3ccc(F)cc3)c3[nH]cccc-3c2=O)cc1,0,0,0,0
Cc1ccc(C(=O)NCCc2ccc(F)cc2)s1,0,1,0,0
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2CC(O)CN2CCCCC2)C1,0,0,0,0
Nc1ccncc1[C@@H](O)CNCCc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1,0,0,0,0
O=C1COc2ccc(C(=O)CCl)cc2N1,0,0,0,0
COc1ccc(-c2nnc3c4ccccc4c(-c4ccccc4)nn23)cc1,0,0,0,0
O=C(O)C1CCN(Cc2cccnc2)CC1,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1C[C@@H]2C[C@H]1C[N+]2(C)C,0,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(SC)cc3)c2)n1,0,0,1,0
Cc1cc(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)sc1-n1cc(Cl)cn1,0,0,0,0
CCc1nccc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1cc(-c2n[nH]c(=S)n2N=Cc2c[nH]c3ccccc23)n[nH]1,0,0,0,0
CCc1cc(OC)cc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12,0,0,0,0
CCOc1ccc2oc(C(=O)N3CCN(Cc4ccccc4)CC3)c(C)c2c1,1,0,0,0
COc1ccccc1N1CCN(C(=O)COc2cccc3ccccc23)CC1,1,0,0,0
C[C@@H](Nc1c(F)ccc(OCC(=O)O)c1F)c1cc(-c2cccc(F)c2)ccc1F,0,0,0,0
COc1cc2c(cc1N1C[C@@H](C)N(C)[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,0,0,0,0
Cc1cccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)c3ccc(Br)cc3)cc2)c1C,1,0,0,0
CCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
CCOc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1O,0,0,0,0
CC(=O)N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21,0,0,0,0
CCON=C(C)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O,0,0,0,0
O=[N+]([O-])c1cc(Cl)ccc1N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
c1ccc(Cn2nnnc2C(c2cccnc2)N2CCN(c3ccccc3)CC2)cc1,1,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(c3ccccc3)=NC2=O)cc1,0,0,0,0
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4ccc(N)cc4)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
CN1CCOc2cc(COc3ccccc3)cnc21,0,0,0,0
CCOc1ccc2nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)sc2c1,1,1,0,0
Nc1nc(Nc2ccc(C3CCC(N4CCOCC4)CC3)cc2)nn1-c1ccccn1,0,0,0,1
NC(=O)c1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@@H](CC(C)C)NC(=O)CNC(=O)[C@@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](C)NC(=O)CNC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O,0,0,0,0
COc1cccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2cccc(F)c2)c1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1ccc(F)cc1)O2,0,0,0,0
COC(=O)C1=C(C)NC(=S)NC1c1sccc1C,0,0,0,0
COC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1,0,0,0,0
CCOc1ccc(CCNC(=O)c2ccc3c(=O)[nH]c4c(C(=O)NC(C)C)sc(=S)n4c3c2)cc1,0,1,0,0
COc1ccccc1-n1c(-c2cccc(O)c2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12,0,0,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CN(C)CC3)nc(F)c1Cl,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2cccc(F)c2)cc1)Cc1ccccn1,0,0,0,0
COC(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0,0,0,0
CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)C1C(C)C,0,0,0,0
O=C(c1ccccc1C(=O)N1CCN(c2ccccc2)CC1)N1CCN(c2ccccc2)CC1,1,0,0,0
COc1nc(OCC(F)(F)C(F)(F)F)c(Cl)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
O=C(CCc1ccc(NC(=O)CCCc2ccccc2)cc1)NO,0,0,0,1
CCCC(NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)OC(C)(C)C)c1ccccc1,0,0,1,0
CCCc1cc(-c2n[nH]cc2-c2ccc3c(c2)OCCCO3)c(O)cc1O,0,0,0,0
C=CCn1c(SC)nnc1-c1ccc2ncccc2c1,0,0,0,0
O=c1c2c3c(sc2ncn1-n1cccc1)CCCCC3,0,0,0,0
CC(C)(C)OC(=O)NCC12C=CC(O1)C1C(=O)N(Cc3ccccc3)C(=O)C12,0,0,0,0
Cc1ccc(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CCCC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c2c1OC1C(C)C(=O)C(N)C(C(=O)NC3C(=O)NC(C(C)C)C(=O)N4CCCC4C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC3C)C1N2,1,0,0,0
Cc1cc(S(=O)(=O)NCc2cccnc2)ccc1-n1cnnn1,0,0,0,0
O=C(CC1(O)C(=O)N(CC=Cc2ccccc2)c2ccccc21)c1ccccn1,1,0,0,0
Cc1cc(SCC(=O)c2cc3ccccc3o2)nc2ccccc12,1,0,0,0
COCCn1c(=O)c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
CCOC(=O)N1CCC(N2Cc3cccc(C(=O)NCc4ccccc4OC)c3C2=O)CC1,1,0,0,0
Clc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4cccc(C)c4)c3c2=O)CC1,0,0,0,1
CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ncnc(Nc3ccc(C#N)cc3F)c1[N+](=O)[O-])C2,0,0,0,0
CN(C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21,0,0,0,1
CC(C)c1ccc(CCCCc2ccc(CCC(N)(CO)COP(=O)(O)O)cc2)cc1,0,0,0,0
COc1ccc(CNC(=O)C2=C(C)C(=O)OC23CCCCC3)cc1,0,0,0,0
COc1ccccc1CCN=C(N)NS(=O)(=O)c1ccc(C)cc1,0,0,0,0
NC(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CC(=O)N1CCN(Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)CC1,0,0,0,0
CCCN(C(=O)OCC)[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)ncc2n1,0,0,0,0
N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)ncc(/C=C/c2ccccc2)c1=O,0,0,0,0
C=CCC(Nc1ccc(OC)cc1)(C(=O)OCC)c1ccccc1,0,0,0,0
c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c(-c2ccnc3ccccc23)c1,0,0,0,0
COc1ccc(-c2cc(-c3ccccc3)no2)cc1,0,1,0,0
CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)NC(C)(C)C)C(=O)N21,0,0,0,0
NC(=O)c1cc([N+](=O)[O-])c(Cl)cc1NCc1ccccn1,0,0,0,0
COc1ccccc1NC(=S)N(CCN1CCCCCC1)Cc1cccs1,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
O=c1c(Br)c(NCc2ccccc2)cnn1-c1ccc(F)cc1,0,0,0,0
CCC(NC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1)C(=O)N1CCCC1,0,1,0,0
Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4)n3C)cs2)cc1,1,1,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCc2c(F)cccc2Cl)c1C,0,0,0,0
O=S(=O)(c1ccc(F)c(F)c1)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0,0,0
CCC1CCCCN1C(=O)CCCOc1ccccc1,1,1,0,0
Cc1c(C(O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc2n1C,1,0,0,0
CC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,0,0,0,0
Cn1cc(-c2cc(S(C)(=O)=O)cnc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O,0,0,0,0
CC1CN(Cc2cncc(F)c2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1,0,0,0,0
CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c2c1=O,0,0,0,0
CN(CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(c1ccccc1)N1CCC(N2CCCCC2)CC1,0,0,0,0
CCCNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,0,0,0,0
CN(c1ccccc1CNc1cccn2nc(Nc3ccc4c(c3)CCC(N3CCOCC3)CC4)nc12)S(C)(=O)=O,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)c1ccc(C)cc1,0,0,0,0
CN(C)CCNCc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1,0,0,0,0
CN(C)CC(=O)N1CCC(CN[C@@H]2C[C@H]2c2ccccc2)(Cc2cccc(C#N)c2)CC1,0,0,0,0
O=C(O)c1ccc(OCCNCCCOc2ccccc2)cc1,0,0,0,0
COc1cc(CNc2ccc(C)c(C)c2)cc(OC)c1OC,0,0,0,0
CCOc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1,0,0,0,0
COc1cc(Nc2ncc(F)c(NCC3CCN(C)CC3)n2)cc(-n2nnnc2C)c1,0,0,0,0
COc1cc2c(cc1OC)N(Cc1ccccc1F)CC1C(c3ccccc3)NNC21,0,0,0,0
Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)C(Cl)P(=O)(O)OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(N)nc(Br)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,0,0,0,0
COC(=O)Cc1csc(NC(=O)c2ccc3ncsc3c2)n1,0,1,0,0
CC(=O)NCCCN(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1,0,0,0,0
COc1ccccc1N=C(C)C1C(=O)CSC1=O,0,0,0,0
CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(Cl)cc2)[nH]c2ccc(Cl)cc12,0,0,0,0
CSc1ccc(-c2nc(C)sc2C2CCC(F)(F)CC2C(=O)NCC#N)cc1,0,0,0,0
CCOC(=O)C1=C[C@@H](CC)N(S(=O)(=O)c2ccc(C)cc2)[C@H]1c1cccc(Cl)c1,0,0,0,0
Cc1cc(NCc2ccncc2)ccc1Br,0,0,0,0
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)c3cc(Cl)sc3Cl)CC2)cc1,0,0,0,0
Cc1ccccc1Nc1nnc(SCc2nc3ccccc3c(=O)[nH]2)s1,0,0,0,0
COC(=O)c1ccc(CN2CCN(CCc3ccccc3)C(CCO)C2)cc1,0,0,0,0
Cc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1,0,0,0,0
CCCc1cc(=O)c2ccc(N)nc2[nH]1,0,0,0,0
Cc1cc(COc2ccccc2OCc2cc(C)no2)on1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(C(F)F)c12)C(=O)N[C@H](C)C(F)(F)F,0,0,0,0
Cc1ccccc1OCc1nnc(SCC(=O)O)n1Cc1ccccc1,0,0,0,0
CN1CCCC(C(O)(c2ccccc2)c2ccccc2)C1,0,0,0,0
CCCCN(C)C(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1,0,0,0,0
COc1ccc(C=NN2C(=O)CSC2=S)cc1,0,0,0,0
Cc1ccc(-c2nc3sc4c(c3c(=O)n2N)CCCC4)cc1,0,1,0,0
CCOC(=O)CN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1ccccc1)O2,0,0,0,0
COC(=O)c1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CCn1c(Oc2ccc(F)cc2F)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1,0,1,0,0
CCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1C,0,0,0,0
N[C@H]1CN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
Cc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4nnc(C(C)C)s4)CC3)CC2=O)cc1,1,0,0,0
Cc1ccc(CNC(=O)CN2c3cccc4cccc(c34)S2(=O)=O)cc1,0,1,0,0
CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C(=O)O)cc1,0,0,0,0
COCCOc1cc2ncnc(NC3=CC(=O)C(OCCOc4ccccc4)=CC3=O)c2cc1OC,0,0,1,0
Fc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1,1,0,0,0
CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(CC(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
CC(C)c1ccc(NC2CCCN(C(=O)CC3CCCC3)C2)cc1,1,0,0,0
OCc1cc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)ccc1O,0,0,0,0
CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)cc1,1,0,0,0
COC(=O)c1ccccc1Nc1cc(C)nc2nc(C)nn12,0,0,0,0
COc1cc(-c2onc3ccc(Br)cc23)cc(OC)c1OC,0,0,0,0
CC(N)CNc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,0,0,0,0
O=C(O)C(=Cc1ccco1)NC(=O)c1cccc2ccccc12,0,0,0,1
COC(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1,0,0,0,0
c1cnc(Sc2ccc3nnnn3n2)nc1,0,0,0,0
CCc1cc2c(cc1C1=CCN(C(=O)C3COCCN3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
CC(C)(C)OC(=O)n1c(-c2ccc(CC#N)cc2)cc2ccccc21,0,0,0,0
Cc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)s1,1,0,0,0
C=CC(=O)NC1CCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1,0,0,1,0
Cc1ccc(CN2C(=O)CC(c3ccc(Cl)cc3)c3c(C)nn(-c4nc(C)cc(C)n4)c32)cc1,1,0,0,0
C=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,0,0
CC(C)Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1,0,0,0,0
CN(Cc1ccco1)c1nc(-c2ccco2)c(C(=O)c2ccccc2)s1,0,0,0,0
COc1ccccc1CN1CC2CC(c3ccccc3OC)N3CCCC23C1=O,0,0,0,0
COP(=O)(OC)C(Nc1ccccc1)c1ccccc1,0,0,0,0
O=C(O)c1nnc(-c2ccc(-c3ccccc3)cc2)o1,0,0,0,0
COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)C(=CC(C)C(=O)N(C)C)c2cccnc2)cc1,1,0,0,0
CC(C)(C)C(=O)C(CO)(Oc1ccc(Cl)cc1)n1cncn1,0,0,0,0
CC(c1ccc(C(C)(C)C)nc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCc4ccccc4)cc3F)ccc2C1,0,0,0,0
COCCNc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2(=O)=O,0,0,0,1
COc1cc(C(=O)N(CCCN2CCCCC2C)C/C(C)=C/c2ccccc2)cc(OC)c1OC,0,0,0,0
O=C(/C=C/c1ccncc1)c1ccc2c(c1)OCCO2,0,1,0,0
COc1cc(-c2ccccc2)ccc1NCc1cnc2nc(N)nc(N)c2c1C,0,0,0,0
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
COc1cc(C=C2SC(=S)N(N3CCOCC3)C2=O)ccc1O,0,0,0,0
Cn1c(N2CCN(CC/C=C3/c4ccccc4CCc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,0,0,0,0
CCCn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,0,1,0,0
Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(O)cc(-c2cccc(F)c2)c1,0,0,0,0
O=C1C=C(S(=O)(=O)O)c2ccccc2C1=NNc1c(O)ccc2ccccc12,1,0,0,0
O=C(c1c(O)c2ccccc2oc1=O)C1CCCCC1,0,0,0,0
CCOc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2ccc(F)cc2)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3cccc(-c4ccn[nH]4)c3)n2)CCN(C(=O)OCC(F)(F)F)CC1,0,0,0,0
Cc1ccccc1C1CCN(c2nc(N[C@H]3CCCNC3)c(-c3ccc4ccccc4n3)c(=O)[nH]2)CC1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCCCC1,0,0,0,0
CCC(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
O=C(O)Cc1nn(Cc2ccc(Cl)cc2)c(=O)c2ccccc12,0,0,0,0
CCCCCNC(=O)C1CSC2c3ccccc3C(=O)N12,0,0,0,0
CSc1ccccc1OCc1cc(C(=O)N2CCN(c3ccccc3)CC2C)no1,0,1,0,0
C=CCOc1ccc(C=C2N=C(C)OC2=O)cc1OC,0,0,0,0
Cc1nc(-c2ccc(Cl)cn2)nc(NC[C@H](NCCCCCc2ccccc2)c2ccccc2)c1Cl,0,0,0,0
C=CCn1c(SC(C)C(N)=O)nc2sc(CC)cc2c1=O,0,0,0,0
CCCOCCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)c(O)c(OC)c1,0,0,0,0
C=C1CCC2C(OC(=O)C2(O)COC(C)=O)C2C(=C)C(O)CC12,0,0,1,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)O[C@H](C)C(F)(F)F)CC2)c1F,0,0,0,0
O=S(=O)(NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CCC1)NCC2)c1cn[nH]c1,0,0,0,0
Cc1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1,0,0,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl,0,0,0,0
O=C(NCC1CCCO1)C(c1cccnc1)N(C(=O)Cc1cccs1)c1ccccc1,0,1,0,0
CC(=O)N1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1,0,0,0,0
O=C(NCCN1CCN(c2ccccc2)CC1)c1cccc(Br)c1,1,0,0,0
Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,0,0,0,0
COc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccccc3)[nH]2)c1,1,1,0,0
COc1ccc(-c2ccc(C(=O)O)cc2Cl)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
CC(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1cc2c(cc1OC)C1Cc3c(cnc4c(-c5ccsc5)cnn34)C(=O)N1CC2,0,0,0,0
C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1,0,0,0,0
CN(C)C(CNc1ccc(C(F)(F)F)cn1)c1ccccc1,0,0,0,0
CC(=O)Nc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)c(C)n2n1,0,0,0,0
CC(CCC1C(C(=O)O)=CC(=O)CC1(C)C)OC1OC(CO)C(O)C(O)C1O,0,0,1,0
Cn1ccc2cc(-c3ccc4c(c3)CCn3c-4cc(OCC4COCCO4)nc3=O)ccc21,0,0,0,0
CSc1nc2c(cnc3sc4c(=O)n(-c5ccc(C)cc5)cnc4c32)s1,0,0,0,0
CCCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O,0,0,0,0
Cc1ccnc(N/N=C/c2ccco2)n1,0,1,0,0
O=C(c1cccc(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1,0,0,0,0
CCCCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3cccs3)cnc21,0,0,0,0
CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCC(O)CC2)C(=O)CN3)cn1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2cccc(F)c2)c2cccc(F)c2)CC1,0,0,0,0
C=Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,0,0,0,0
COc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21,0,0,0,0
Cc1ccc(N2C(=O)CSC2=NC(=S)Nc2ccccc2)cc1,0,0,0,0
CCN(CC)C(=O)CSc1nc2sc3c(c2c(=O)n1CCCOC)CCC3,1,0,0,0
CCc1n[nH]c(C(=O)N2CCCC(Nc3ccc(C(C)C)cc3)C2)c1C,0,0,0,0
CCN1CCN(C(c2cc3cccc(C)c3[nH]c2=O)c2nnnn2Cc2ccccc2)CC1,1,0,0,0
N#Cc1ccc(N2N=C(c3ccc(C(=O)O)cc3)CC2c2ccc(F)cc2)cc1C#N,0,0,0,0
Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H]4COC(=O)N4)cc3Cl)s2)cc(NC(C)C)n1,0,0,0,0
O=S(=O)(NCCCn1ccnc1)c1ccc2c(c1)OCCO2,0,0,0,0
Cc1cccc(-c2[nH]c(C(C)(C)C)nc2-c2ccc3nccnc3c2)n1,0,0,0,0
COc1ccc(N2CCN(C(c3ccco3)c3sc4nc(C)nn4c3O)CC2)cc1,0,0,0,0
C=CC(=O)N1CCC[C@@H]1COc1c(N)ncnc1-c1cc(F)cc(NC(=O)c2ccc(C3CC3)cc2F)c1C,0,0,1,0
C=CCNc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
C=CC(=O)N(C)c1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
O=C(NCc1ccccc1)C1=CC(c2ccc(Br)cc2)CC(OCCCCO)O1,1,0,0,0
CCOC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0,0,0
Cc1ccc(CNCC2(F)CCN(C(=O)c3cc4ccccc4o3)CC2)nc1,0,0,0,0
Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0,0,0,1
C[C@@H]1CC[C@H](C)N1c1ccc(-c2cccc(Cl)c2Cl)cn1,0,0,0,0
CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C1CN(C2COC2)C1,0,0,0,0
Cn1nc(N)c2cc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc21,0,0,0,0
Clc1ccc(-c2cc(-c3ccccc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
COc1ccc(C(O)Cn2cc([N+](=O)[O-])nc2C)cc1,0,0,0,0
CC1=CCc2c(cc3oc(C)cc(=O)c3c2O)OC1,0,0,0,0
Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cnc5ccccc5c4)CC3)nc2)c1,0,0,0,0
COc1cc(/C=N/NC(=S)Nc2cccc(C(=O)O)c2)cc(OC)c1OC,0,1,0,0
O=C(O)[C@@H]1CCCN(C2CCC3(C2)C(=O)c2cc(Cl)ccc2Oc2ccccc23)C1,0,0,0,0
COc1ccc(OC)c(N2C(=O)CC(C(C)c3ccccc3)C2=O)c1,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(C(N)=O)ccc3-4)cc2)C1,0,0,0,0
CSCC1CN(Cc2c[nH]c3c(N)ncnc23)C1,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCc1ccc(OC)c(OC)c1,0,0,0,0
Cc1ccc(OCc2nnc(NC(=O)Cc3cccs3)s2)cc1,1,0,0,0
CCc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1C(F)(F)F,0,0,0,0
O=C(O)C1CC1c1ccc(NCc2ccc(-c3ccccc3)cc2)cc1,0,0,0,0
C[C@]12O[C@H](C[C@@]1(O)C(N)=O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,0,0,0,0
CCNC(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
CCc1cc(C)c2[nH]ccc2c1C(C)(NC)c1nc2ncc(C#N)cc2[nH]1,0,0,0,0
Cc1cccc(C(=O)Nc2cccc(C(=O)Nc3cc(C)ccn3)c2)c1,1,1,0,0
Oc1cccc2c(NC(=S)Nc3ccc(OC(F)F)cc3)cccc12,0,0,0,1
CN(C)C(=O)C(OC(=O)c1ccc2ccccc2n1)c1ccccc1,0,0,0,0
CCCCC(=O)N/N=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1,0,0,0,0
N#C[C@@H]1C[C@H](NCC(F)(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1,0,0,0,0
O=c1cc(-c2ccc(C(F)(F)F)nn2)ccn1-c1ccc2c3c([nH]c2c1)CCNCC3,0,0,0,0
COCC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCCN(C)C)c(C)c12,0,0,0,0
c1ccc(CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1,1,0,0,0
CC(O)c1ccccc1S(=O)(=O)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
[O-][S+]1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(C(F)(F)F)c5)c4c3)o2)CC1,0,0,0,0
N#Cc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,0,0,0,0
CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)N3)cc1,0,0,0,0
CC1C[C@@H]2[C@H](C1)C2(c1ccc(O)cc1)N1CCN(c2ccccc2)CC1,0,0,0,0
Cc1ccc(-c2csc3nc(SCC(N)=O)n(Cc4ccccc4)c(=O)c23)cc1,0,0,0,0
O=C(Nc1ccccc1C(=O)NC(Cc1ccccc1)C(=O)NC1CCCCCC1)c1ccccc1,1,0,0,0
COc1cccc(C=Nn2c(-c3cccs3)n[nH]c2=S)c1,0,0,0,0
O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1,1,0,0,0
Cc1ccccc1S(=O)(=O)N1C[C@H]2CON(C)[C@H]2C[C@H]1c1cccc(Br)c1,0,0,0,0
CS(=O)(=O)c1ccc(N2CCCC2)cc1N,0,0,1,0
CC(C)(C)C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
CC(=O)NCCCc1cccc2c1SCCO2,0,0,0,0
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)ccc21,0,0,0,0
CO[C@@]12CCC(=O)[C@]3(C)Oc4c(O)ccc5c4[C@@]31CCN(C)[C@@H]2C5,0,0,0,0
COC(=O)C1=C(C)N(C)C(=O)NC1c1cccc2ccccc12,0,0,0,0
C/C(CC1(O)C(=O)Nc2ccccc21)=N\O,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC)c(F)c4)cc32)cc1C,0,0,0,0
CCOC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,0,0,0,0
CCc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C(C)=O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc(F)cc1,1,0,0,0
C=CCSC1=NC(=Cc2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
CCN(CC)c1ccc(NC(=O)COC(=O)/C=C/c2nc3ccccc3s2)cc1,1,0,0,0
OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)c(Cl)c1)(C(F)(F)F)C(F)(F)F,0,0,0,0
C=C(C)COc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OC)c(O)c1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)C2=O,0,0,0,0
Cc1cc(C)n(CCc2nc3c4ccccc4nc(N4CCN(c5ccc(F)cc5)CC4)n3n2)n1,0,0,0,0
CC(C)(C)c1ccc(CC(C(=O)O)c2ccc(COc3cccc(-c4ccc(C(F)(F)F)c5ncc(C(=O)c6ccccc6)cc45)c3)cc2)cc1,0,0,0,0
N=C(N)c1ccc(CN2CCN(Cc3nc4ccc(Cl)cc4[nH]3)CC2=O)cc1,0,0,0,0
Clc1ccc(Cl)c(SCCCN2CCNCC2)c1,0,0,0,0
O=C1C2CNNC2NC(=S)N1c1ccccc1F,0,0,0,0
CCCCCCC(C)(C)c1ccc([C@H]2C[C@@H](O)CC[C@@H]2CCCO)c(O)c1,0,0,0,0
CC[n+]1ccc2cc(OC)c(OC)cc2c1Cc1ccc(OC)c(OC)c1,0,0,0,1
CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(OCCN(C(C)C)C(C)C)cc4)oc3c2)[C@H]1C,0,0,0,0
O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2ccccc2o1,0,1,0,0
O=C1CN=C(c2ccc[nH]2)c2cc(Cl)ccc2N1,0,0,0,0
CNCc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Nc1nc(N)c(-c2ccc(NCc3ccc(C(F)(F)F)cc3)cc2)c(COCc2ccccc2)n1,0,0,0,0
CCOc1cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)ccc1O,0,0,0,0
O=S(=O)(c1cccc2ccccc12)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1,1,0,0,0
CCCS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
CN(C)C[C@H]1CCCC[C@]1(O)c1cccc(C(N)=O)c1,0,0,0,0
COc1cc2nc(SCC(=O)NCCc3ccccc3)n(Cc3ccco3)c(=O)c2cc1OC,1,0,0,0
Cc1cccnc1-c1cc(N2CCC(CNCCS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3cccnc3)cc12,0,0,0,0
Cc1ccc(NC(=O)N2CCCC2c2cccs2)cc1,1,0,0,0
CCn1c(Sc2ccc(Nc3c(C#N)cnc4cc(OCCCN5CCN(CCO)CC5)c(OC)cc34)cc2Cl)nc(C)c1C,0,0,0,0
CCOC(=O)/C(=N/Nc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1,0,1,0,0
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1cccc(Cl)c1,0,0,0,0
O=C(c1cc(-c2cc(F)cc([N+](=O)[O-])c2O)cc([N+](=O)[O-])c1O)C1CCc2ccccc21,0,0,0,0
CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(NC3(C(=O)O)CCCC3)c2C#N)cc1,0,0,0,0
Cc1cc(F)cnc1-c1cc(N2CCC(NS(=O)(=O)CCO)CC2)ncc1Cl,0,0,0,0
CCCC[C@@H](NC(C)=O)C(=O)N[C@@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(O)[C@H]2CCCN2C1=O,0,0,0,0
CC(C)Nc1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1,0,0,0,0
Cc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1,0,0,0,0
CCC(C)(C)n1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1,1,0,0,0
Oc1ccccc1-c1nnc2n1CCCCC2,0,0,0,0
O=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1ccc(Cl)cc1,0,0,0,0
COP(=S)(OC)SCn1nnc2ccccc2c1=O,0,0,0,0
CC(=O)NC1CCN(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)c(F)c3)c(F)c2)CC1,0,0,0,0
COc1ccc(OCCC[C@H](c2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)N2CCC[C@@H]2C)cc1,0,0,0,0
O=c1c(OCc2ccccc2)c(-c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)oc2cc(OCc3ccccc3)cc(OCc3ccccc3)c12,0,0,0,0
O=C(COC(=O)C=Cc1nc2ccccc2s1)Nc1cccc(Cl)c1Cl,1,0,0,0
COc1ccccc1-c1cccn2nc(Nc3ccccc3)nc12,0,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2cc(C#N)ccn2n1,0,0,0,0
COCCNC(=S)N(C)C1(c2ccccc2Cl)CCCCC1=O,0,0,0,0
O=C1Cc2cc(N3CCC(CO)CC3)c(NC(=O)c3cnn4cccnc34)cc2N1,0,0,0,0
Cc1cc(-c2cc(F)c3nnc([C@@H](C)c4ccc5ncccc5c4)n3c2)sn1,0,0,0,0
COCCNc1sc(S(=O)(=O)c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCc1cc(OC)cc2nc(-c3cccnc3N3CC[C@H](N(C)C)C3)oc(=O)c12,0,0,0,0
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CN1C(=O)NC2(CCc3ccccc32)C1=O,1,0,0,0
COCCn1cnc2c1c(=O)n(Cc1cc(C(C)=O)ccc1OC)c(=O)n2Cc1ccccc1,1,0,0,0
O=C(OCc1ccccc1)N1CCC(c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,0,0,0,0
C=CCC1(Cl)C(=O)C(Cl)=C(N2CCOCC2)C1(OC)OC,0,0,0,0
CNC(=O)CCCN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
CN1C(N)=N[C@](C)(c2cc(-c3cccc(C#N)c3)cs2)CS1(=O)=O,0,0,0,0
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CC5CC(C4)N(CC(F)(F)F)C5)cn3)nc2n1C1CCCC1,0,0,0,0
O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccco2)cc1,1,0,0,0
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN1CC[S+]([O-])CC1,0,0,1,0
CNc1nc2[nH]c(-c3cccc(CNC(=O)CN(C)C)c3)cc2c2c1ncn2C,0,0,0,0
O=[N+]([O-])c1cccc(/C=C/c2ccccn2)c1,0,1,0,0
CCCCC12CN3CC(C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O,0,0,0,0
Cc1ccc(C(=O)N/N=C/c2ccc(S(=O)(=O)[O-])o2)c(Cl)c1.[Na+],0,1,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2cccc(OC)c2O)cc1,0,0,0,0
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5cnn(C6CCN(S(C)(=O)=O)CC6)c5)nc3-4)cc2)cn1,0,0,0,0
CC(C)CN1CCN(Cc2ccc(F)cc2Cl)CC1CCO,0,0,0,0
CCOc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1C(F)(F)F,0,0,0,0
O=C(O)CNC(=O)N1C[C@H]2CC(c3ccccc3C(F)(F)F)C[C@H]2C1,0,0,0,0
O=C1CCCc2cc(C#Cc3ccccc3)ccc21,0,0,0,0
N#Cc1c(Cl)cccc1Oc1ccc(S(=O)(=O)Nc2ccccc2)cc1,0,0,0,0
NS(=O)(=O)c1ccc(-n2nc(-c3ccccc3)cc2CO)cc1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(C(F)(F)F)c1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(CCBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O,0,0,1,0
NC(=O)C12CC3CC(C1)C(OC(=O)N1CC[C@H](Oc4ccc(C(F)(F)F)cn4)C1)C(C3)C2,0,0,0,0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cc2c(cc1[N+](=O)[O-])OCO2,0,0,0,0
CCOC(=O)CNC(=O)c1cc2c(=O)oc3ccccc3c2s1,0,0,0,0
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCC2(O)CCNCC2)cc1,0,0,0,0
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(CCN2CCCCC2)CC1,0,0,0,0
O=c1[nH]c2nc(SCc3cccc(Cl)c3)ncc2c(=O)n1-c1ccccc1,1,0,0,0
COCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1,0,0,0,0
O=C(c1c(F)cccc1F)N1CCN(c2ncccn2)CC1,0,0,0,0
c1cc2nonc2cc1CCN1CCN(CCc2ccc3nonc3c2)CC1,0,0,0,0
CCCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)c2cccs2)cc1,1,0,0,0
Cc1cccc(NCc2ccccc2O)c1C,0,0,0,0
COc1ccc(CCNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)cc1,1,0,0,0
COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cc1,0,0,0,0
CCOc1cc(Cc2cnc(N)nc2N)cc(OCC)c1-n1cccc1,0,0,0,0
COc1ccc(C=C2N=C(SC3CCOC3=O)N(c3cccc(OC)c3)C2=O)cc1,1,0,0,0
CC(C)(O)CCCOc1cc(-c2cnn(C(C)(C)C(N)=O)c2)c2c(c1)[C@@](O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(N2C(=O)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1,0,0,0,0
CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)NC(C)(C)C)C(C)C,0,0,0,0
Cc1cc(C2CCC2)c(-c2ncn[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
COc1ccccc1CNC(=O)CCC1N=C2c3ccccc3N=C(SCC(=O)NCCc3ccc(OC)c(OC)c3)N2C1=O,1,0,0,0
COc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,0,0,0,0
Cc1ccc2c(ccn3cc4c(c(=O)n(C)c(=O)n4C)c23)c1,0,1,0,0
Cc1nc(C(F)(F)F)nc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,0,0,0,0
Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1F,0,0,0,0
Cn1c(-c2ccccc2)cc2c3no[n+]([O-])c3ccc21,0,1,0,0
CC(=O)Nc1ccc(Nc2nc3ccccc3n3cnnc23)cc1,0,0,0,0
CC(C)c1ccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1,0,0,0,0
O=C1C[C@H](NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]3CCCC[C@H](NC(=O)c4ccccc4)C(=O)N32)C(O)O1,0,0,0,0
CNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1,0,0,0,0
Clc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,1,0,0,0
CCOc1cc(C=CC(=O)OCC(=O)NC2CCS(=O)(=O)C2)ccc1OCc1ccccc1,1,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(F)cc(F)c3)c(F)c2)CC1,0,0,0,0
CCC(F)(F)C(=O)N1CCC(Oc2ncnc(Oc3ccc(S(C)(=O)=O)nc3C)c2F)CC1,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
COc1ccccc1Oc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,0,1,0,0
CCc1cc(Oc2cccc3c2CCC(c2cccc(OC(F)(F)C(F)F)c2)N3CC(O)C(F)(F)F)ccc1Cl,0,0,0,0
O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(c2ccccc2)CC1,0,0,0,0
CCOc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
CC(C)(C)CN1CCC2(CC1)CN(c1ccccc1Nc1nc(-c3ccccc3)ns1)c1c(O)ccc(Cl)c12,0,0,0,0
CSCCC(NC(=O)CCCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
CC=C(C)CN1CCCC(CO)(Cc2ccccc2)C1,0,0,0,0
CCc1c(C)nc2ncnn2c1Nc1ccc(C#N)c(Cl)c1,0,0,0,0
CC(=O)N1CCN=C1SCc1c(F)cccc1Cl,0,0,0,0
Cn1nccc1CN1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
C[C@]12CCC(=O)C[C@@H]1[C@@H](F)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0,0,0,0
O=c1nc2ccc(Cl)cn2c2ccc(S(=O)(=O)N3CCCCC3)cc12,0,0,0,0
CC1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C,1,0,0,0
O=C(Nc1nnc(-c2ccccc2)o1)c1cc(-c2cccs2)nc2ccccc12,1,1,0,0
Cc1ccc(C=Nn2c(-c3ccc(Cl)cc3)n[nH]c2=S)s1,0,0,0,0
OC1CCC(Nc2nccc(-c3c[nH]c4ccccc34)n2)CC1,0,0,0,0
CCCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,0,0,0,0
CCC1(O)CC2CN(CCC3C(=Nc4ccccc43)C(C(=O)OC)(c3cc4c(cc3OC)N(C)C3C(O)(C(N)=O)C(O)C5(CC)C=CCN6CCC43C65)C2)C1,0,0,1,0
COc1ccc2c(c1)C(=O)N1[C@H]3c4cc(C)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2,0,0,0,0
CC(C)C(CC(=O)NC1CCCCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)CC(CO)NC(=O)C1CNCCC1N,1,0,0,0
CCOCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,0,0,0,0
Nc1ncnc2nc(-c3nccs3)c(Cc3cccc(Br)c3)cc12,0,0,0,0
COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C(F)(F)F)cc1,0,0,0,0
Cl.Nc1nc(Nc2ccc(Cl)cc2)nc2ccccc12,0,1,0,0
CCCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21,1,0,0,0
CCS(=O)(=O)c1cnc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,0,0,0,0
COc1cc(C=C2CCOC2=O)cc(OC)c1OC,0,0,0,0
CC(/C=C1\SC(=S)N(C(C(=O)O)C(C)C)C1=O)=C\c1ccccc1,0,0,0,0
CCCN1C(=O)c2cc(C(=O)Nc3ccccc3CC)ccc2C1O,1,0,0,0
Cc1ccsc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
CCOC(=O)C1C(=O)NC(N2CCCCC2)=NC1c1ccco1,0,0,0,0
COc1ccccc1CNS(=O)(=O)c1c(C)nc2sccn2c1=O,0,0,0,0
CCOC(=O)c1ccc(S(=O)(=O)NCC(c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1,1,0,0,0
Cc1ccc(C(=O)NC(Cc2ccccc2)C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1C,1,0,0,0
Nc1nc2ccccc2c2c1nc(CCCc1nc3c(N)nc4ccccc4c3n1Cc1ccccc1)n2Cc1ccccc1,0,0,0,0
Cc1oc(-c2cccc(Cl)c2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)O)c1,0,0,0,0
COc1ccc(CCC(=O)O)cc1-c1cc2c(cc1C)C(C)(C)CC(=O)N2C(C)C,0,0,0,0
N=C(N)N1CCc2ccc(OCC3CCN(c4ccncc4)CC3)cc2C1,0,0,0,0
CCc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12,0,0,0,0
Cc1cccc(N(CC(=O)NC(C)(C)C)C(=O)C[S+]([O-])CC(=O)Nc2ccc(F)cc2)c1,1,0,0,0
S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)N1CCCCCC1,0,0,0,0
COc1cccc(-c2nnc3sc(-c4ccc(C)cc4)nn23)c1,1,0,0,0
CC(C)NC(=O)N(C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C,0,0,0,0
O=C(NCCc1ccccc1)/C(=N\O)c1ccccc1,0,1,0,0
COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)c(C)c3C)c2cc1OC,0,0,0,0
O=C(O)Cc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2,0,0,0,0
Clc1cc2c(cc1Br)Oc1cc(Br)c(Cl)cc1O2,0,0,0,0
CCCC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,0,0,0,0
CC(C)(C)CCc1cc(=O)c(=O)[nH][nH]1,0,0,0,0
O=C(NCC1CCCO1)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)N3CCCCC3)cc12,1,1,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N,0,0,1,0
CCOc1nc(NC(=N)N)nc2c(C)cccc12,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2cccc(F)c2)c2ccc(F)c(F)c2)CC1,0,0,0,0
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C3CC3)n3cccnc23)cc1O,0,0,0,0
Cc1cc(N2CCC(O)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0,0,0,0
CCCOC1CN(S(=O)(=O)C2CC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0
CCNC(=O)c1sccc1-n1cccc1,0,0,0,0
COc1cc2c(cc1OCCN1CCOCC1)nc(Nc1c(C)cccc1Cl)c1cncn12,0,0,0,0
O=C1CCCc2c1nn(-c1ccccc1)[n+]2[O-],0,0,0,0
CCOC(=O)C1(Cc2ccccc2C)CCCN(S(C)(=O)=O)C1,0,0,0,0
CC(C)[C@H](NC(=O)c1csc(-c2cscn2)n1)C(=O)OC/C=C/CCS,0,0,0,0
CC(C)(C)c1ccc(C(=O)NNc2cc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,1,0,0,0
COc1ccc(S(=O)(=O)c2c(Nc3ccc(C)cc3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,1,0,0,0
Cc1ccc(SCC(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1,0,0,0,1
NCc1cn(-c2ccncc2)nn1,0,0,0,0
N[C@@H](CSC1(c2ccccc2)c2ccccc2CCc2ccccc21)C(=O)O,0,0,0,0
CC1=C(C(=O)N2CCN(c3cccc(C)c3C)CC2)C2(CCCCC2)OC1=O,0,0,0,0
COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)cc1,1,0,0,0
COc1ccc(OC)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1,0,1,0,0
CC(C)S(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12,0,0,0,0
Cc1ccc(/C=C/C(=O)NC2=NCCS2)cc1,0,1,0,0
O=C(c1ccccc1)c1ccc(Cn2ccnc2)cc1,0,0,0,0
NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
CCNC(=S)N(Cc1cccnc1)Cc1ccc(OC)c(OC)c1,0,0,0,0
COc1ccccc1CNc1nc2[nH]c(C)c(C)c(=O)n2n1,0,0,0,0
CC(C)c1ccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)cc1,0,0,0,0
COc1ccc2oc(=O)c(C(=O)NCc3cn(CCCP(=O)(F)OC)nn3)cc2c1,0,0,1,0
CCOc1ccc(CCNC(=O)CCC(=O)N2CCOc3ccc(C)cc32)cc1OCC,1,0,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2Cl)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)N3CCN(c4ccccn4)CC3)c(C)o2)c1,1,0,0,0
C=CCn1c(SCc2nc(N)nc(N3CCCCC3)n2)nnc1-c1ccco1,0,0,0,0
COc1cc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(N(C)C)o2)cc(OC)c1OC,0,0,0,0
COc1ccccc1C1=NCc2nnc(C)n2-c2ccc(Cl)cc21,0,0,0,0
COCc1cc(N2CCN(S(=O)(=O)N[C@@]3(C(=O)O)[C@H](C)[C@@H]3c3ccccc3)C[C@H]2C)no1,0,0,0,0
Cc1ccc(S(=O)(=O)N=C(c2ccc(F)cc2)N2CCOCC2)cc1,0,0,0,0
CC(C)(N)c1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
COC(=O)Nc1ccc2c(c1)NC(=O)CCCC[C@H](NC(=O)c1c(F)cc(C)cc1F)c1cc-2ccn1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCc1nc(N)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12,0,0,0,0
O=c1ncn(Cc2ccccc2)c2nc(N3CCOCC3)sc12,0,0,0,0
CCc1ccccc1NC(=O)CN1CCN(C(=O)C2CCN(C(=O)C=Cc3ccccc3)CC2)CC1,1,0,0,0
O=C(O)Cc1ccc(Nc2nc(-c3ccccc3)nc3c2CSC3)cc1,0,0,0,0
COc1ccccc1NC(=S)N/N=C/c1ccc(O)cc1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCC(CN2CCCC2)CC1,0,0,0,0
Cc1cc(F)ccc1S(=O)(=O)Nc1ncnc2sccc12,0,0,0,0
Cc1ccc(NC(=O)c2onc(C)c2Cl)cc1,0,1,0,0
N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccc(Cl)cc2)c1N,0,0,0,0
CCC1(CC)Cc2ccccc2C(C2=C(O)CC(C)(C)CC2=O)=N1,0,0,0,0
CNc1nc2[nH]c(-c3ccc(F)cc3)cc2c2c1ncn2C,0,0,0,0
C[C@]12COC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0,0,0,0
Cc1[nH]c(SCc2ccc(Br)cc2)nc(=O)c1C,0,0,0,0
Cc1ccc2c(C)c(C(=O)N3CCN(c4ncccn4)CC3)oc2c1C,1,0,0,0
CCN(CC)c1ccc(-c2nn3c(-c4ccccc4OC)nnc3s2)cc1,1,1,0,0
CN1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,0,0,0,0
Cc1ccccc1-n1c(C)nnc1SCc1nc2ccccc2s1,1,1,0,0
CCN(CC)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O,0,1,0,0
COc1nc2ccccc2nc1N1CCN(C)CC1,0,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(CO)C3)cc2F)cc1F,0,0,0,0
COC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1,0,0,0,0
Cc1nc2n(n1)C(=O)C(C(c1cccc(F)c1)N1CCCC(C)C1)S2,0,0,0,0
CC(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)C(C)C,0,0,0,0
CCC(C)(C)Sc1nc2cc(N3CCN(CCO)CC3)c(Cl)cc2[nH]1,0,0,0,0
CON=C(C(=O)O)c1csc(NN=C(C)C)n1,0,0,0,0
CC(=O)N1CCN=C1SCc1ccccc1,0,0,0,0
C=C(C)C(=O)Nc1ccc(F)c(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
c1nc(NC2CCCC2)c2[nH]cnc2n1,0,0,0,0
Cc1ccc(NC(=S)N(CCCN2CCC(C)CC2)Cc2ccco2)cc1,0,0,0,0
CNc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(C)CC2)n1,0,0,0,0
C/C(=C\C1CCCCC1)[C@@H](NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1,1,0,0,0
Cc1cc(C)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(NC1CCCC1)C1CC(Br)=NO1,0,0,1,0
Cc1cc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)on1,0,0,1,0
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(NCCO)nc4)c3c2)cc(Cl)c1O,0,0,0,0
CC1CCCC(C)N1C(=O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21,0,0,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2c2ccccc2)cc1Cn1cc([N+](=O)[O-])cn1,0,0,0,0
O=C(NO)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
N#C/C(=C\c1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1,1,0,0,0
Cc1ccc(C)c(Sc2ccc(NC(=O)CCN3C(=O)NC4(CCCC4)C3=O)cc2)c1,1,0,0,0
c1ccc(CNc2nc(-c3ccoc3)nc3ccccc23)cc1,1,0,0,0
NC(=O)c1cc(-c2ccnc(NC3CCOCC3)c2)nc(N2CCNCC2)c1,0,0,0,0
O=c1c2cc(-c3ccccc3)sc2nc2n1N=C(c1cccs1)CS2,0,1,0,0
FC(F)(F)c1ccc(-c2n[nH]c(=S)[nH]2)cc1,0,0,0,0
Oc1c(C(O)(c2ccccc2)c2ccc3ccccc3c2O)ccc2ccccc12,1,0,0,0
Cn1c(SCc2nc(=O)c3ccccc3[nH]2)nnc1-c1ccco1,0,0,0,0
Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)cc1,0,0,0,0
CCC[C@H](Nc1nc2ccccc2cc1C)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(CNCc2cccc(-n3cccn3)n2)CC1,0,0,0,0
Nc1ncc(-c2cc(C3CCN(C4COC4)CC3)cc(C3CC3)n2)cc1OC(F)F,0,0,0,0
Cc1cc(OCCCCOc2ccc(S(N)(=O)=O)c(C)c2)ccc1S(N)(=O)=O,0,0,0,0
CCC(C)NC(=O)Cn1cnc2sc(C)cc2c1=O,0,0,0,0
O=C(O)Cc1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0,0,0
CCC12C(=O)N(c3cccc(Cl)c3)C(=O)N1C(c1cccc(C)c1)C1C(=O)N(Cc3ccccc3)C(=O)C12,1,0,0,0
O=C(NCCc1c[nH]c2ccccc12)c1cc2ccccc2oc1=O,0,1,0,0
Cc1c(-c2cccc(F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
COC(=O)C1=C(N)Oc2cc(C)n(Cc3ccco3)c(=O)c2C1c1cccc(Cl)c1,0,0,0,0
O=S(=O)(NC1CCCCC1Oc1ccccc1)c1ccc(Cl)cc1,0,0,0,0
O=C(O)CN1CC(c2nc3ccccc3n2C2C[C@H]3CCC[C@@H](C2)N3C2C[C@H]3CCCC[C@@H](C2)C3)C1,0,0,0,0
CCC(C)C(NC(=O)OC(C)(C)C)c1cn(C(Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1,1,0,0,0
COc1ccc(Cc2nnc(N/N=C/c3ccc(O)cc3)[nH]c2=O)cc1OC,0,0,0,0
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nnc(COC)o2)cc1,1,0,0,0
COc1ccccc1CNCCCCCCNCCCCCCCCCCNCCCCCCNCc1ccccc1OC,0,0,0,0
C=C(F)C(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1,0,0,1,0
COc1ccc2[nH]c(C(=O)OCCCCCCCCCCOC(=O)c3[nH]c4ccc(OC)cc4c3CCNC(C)=O)c(CCNC(C)=O)c2c1,0,0,0,0
COc1cc(C2C(C(C)=O)=C(O)C(=O)N2CCN2CCOCC2)ccc1O,0,0,0,0
CCOc1cc(C=C2C(=O)N(CCC#N)N=C2C)ccc1OCC(N)=O,0,0,0,0
O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1,0,0,0,0
CN1C(=O)N(c2ccc(C#Cc3cnn(C)c3)cn2)CC1(C)C,0,0,0,0
COc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2ccnn2C)cc1,1,0,0,0
O=S(=O)(c1ccc(Cl)cc1)N1CCC(O)(CN2CCN(Cc3ccccc3)CC2)CC1,1,0,0,0
C[C@]12CCC(=O)C=C1C[C@@H](CCCc1ccc(OCCCCC(=O)O)cc1)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1Cl,0,0,0,0
C[S+]([O-])c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(-c2ccccc2)noc1C,1,0,0,0
O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccccc1,0,1,0,0
COc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)c1OC,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(C)=O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O,0,0,0,0
CC1(C)CC(=O)C(=CNCc2ccc3c(c2)OCO3)C(=O)C1,0,0,0,0
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1ccncc1,0,0,0,0
CN1c2ccccc2C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]21,0,0,0,0
CC(C)CC(c1nnnn1C(C)C)N1CCN(c2cccc(Cl)c2)CC1,0,0,0,0
CC1(C)CC2(CCCN(C3CCN(C(=O)c4c(NC(N)=O)sc5ccccc45)CC3)C2)C(=O)O1,0,0,0,0
CCc1nc2nc(C)cc(Nc3cccc(C)c3C)n2n1,0,0,0,0
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc(CN(C(C)=O)c2ccccc2C(=O)O)cc1,0,0,0,0
COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1Br,0,0,0,0
Nc1nccs1,0,0,0,0
COc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(OC)c1,0,0,0,0
O=C(Cn1nnc(-c2ccc(OCc3ccccc3F)cc2)n1)N1CCOCC1,1,1,0,0
O=C(Nc1nccs1)c1ncc(Cl)c(Cl)c1Cl,1,1,0,0
CCCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCC(CC)c1nnc(NC(=O)c2ccc3ccccc3n2)s1,0,1,0,0
Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1Br,0,0,0,0
Cc1nc(NCCc2ccccc2)sc1C(=O)O,1,1,0,0
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n(CCc3ccccc3)cc2n(C)c1=O,1,0,0,0
Clc1ccc2nc(C3CCN(Cc4nnnn4C4CCCCC4)CC3)[nH]c2c1,0,0,0,0
CC(C)CN(CCOc1cccc(N2C(=O)C3=C(CCCC3)C2=O)c1)CC(C)C,0,0,0,0
CNC[C@H](Nc1ccc(C(N)=O)c2ncccc12)c1cccc(F)c1,0,0,0,0
O=C1C(C(c2cccs2)N2CCN(c3cccc(Cl)c3)CC2)Sc2ncnn21,1,0,0,0
Cc1nn(C)c(C)c1-c1cccc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
Cc1c(Oc2cncc(F)c2)ncnc1OC1CCN(C(=O)OC(C)C)CC1,0,0,0,0
NCCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
Cc1cc(C)cc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2cccc(F)c2)c1,0,0,0,0
CCN(CC)c1ccc(NC(=O)c2cncc(Br)c2)cc1,0,1,0,0
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(OC(F)(F)F)ccc2o1,0,0,0,0
CCn1c(C)c(C)c2cc(C(=O)NCc3ccc(N(C)C)cc3)ccc21,1,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C#N)c1)C(F)(F)F,0,0,0,0
c1ccc(CNC2C3C4CCCC3CN(C4)[C@H]2C(c2ccccc2)c2ccccc2)cc1,0,0,0,0
O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1Br,0,0,0,0
CCCc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1,0,0,0,0
N#C[C@@H]1C[C@H](NCC(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(C[S+]([O-])c3ccccc3)o2)CC1,1,0,0,0
CC(C)(C)Cc1cnc(C(C)(O)Cc2ccc(-c3ccc(F)cn3)cc2)[nH]1,0,0,0,0
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCN3CCCCC3)cc2)nc1,0,0,0,1
COc1ccccc1-n1nc(OC2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
COc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1NC1CCN(C)CC1,0,0,0,0
NC(=O)C(c1ccccc1)(c1ccccc1)[C@@H]1CCN(CCCCCCCCCNCC(O)c2ccc(O)c3[nH]c(=O)ccc23)C1,0,0,0,0
Cc1cc([C@H](Nc2ccc(Cl)c(CNCCC(=O)O)c2)C(F)(F)F)ccc1Cl,0,0,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)c(C(F)(F)F)c1,0,0,1,0
CCS(=O)(=O)c1cc(F)cc(Oc2cccc(-n3c(C)nc4c(C(F)(F)F)cccc43)c2)c1,0,0,0,0
COc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(OC)cc2)cc1,0,0,0,0
CC(C)(C)C(=O)Nc1ccc(N2CCCC2)cc1,0,0,0,0
O=C(c1ccc(CNS(=O)(=O)c2ccccc2)cc1)N1CCN(c2ccccn2)CC1,0,0,0,0
CCc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1,0,0,0,0
Cc1nc(-c2cn3c(n2)-c2cc(-c4cnn(C)c4C4CCCN(C(C)C)C4)c(F)cc2OCC3)n(C(C)C)n1,0,0,0,0
CN(C)c1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,0,0,0,0
CCOc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O,0,0,0,0
CCOC(=O)CNc1ncnc2nc[nH]c12,0,1,0,0
Cc1ccc2oc(-c3cccc(NC(=O)C=Cc4cccc([N+](=O)[O-])c4)c3C)nc2c1,1,0,0,0
NCCCC[C@@H]1NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O,0,0,0,0
C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Oc2cccnc2)C1,0,0,0,0
CCOc1cc(C=C2C(=O)ON=C2C)ccc1OCc1ccccc1F,1,0,0,0
COc1cc(CN(CC(C)O)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
COc1ccccc1CSc1[nH]c(=O)c(C#N)c2c1CCCC2,0,0,0,0
CCOc1cc2c(cc1OCC)C(c1ccc(OC)c(OC)c1)N(c1ccc(C(=O)O)cc1)C(=O)C2,0,0,0,0
CCOc1cc(O[C@@H]2CCNC2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1,0,0,0,0
Cc1ccc(C)c(-n2[nH]c3c4c(ccc3c2=O)C(=O)c2ccccc2C4=O)c1,0,1,0,0
CN1CCC[C@@H]1[C@@H]1CSC(c2ccccc2)(c2ccccc2)O1,0,0,0,0
O=C(CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccnc1,1,0,0,0
CN1CCN(CCc2ccc(Nc3nc(-c4ccc5ccccc5c4)cs3)cc2)C(CO)C1,0,0,0,0
Cc1ccc2c(=O)n(-c3ccc4cn[nH]c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1,0,0,0,0
COc1cccc(OCc2cc(C(=O)N3CCN(c4ccccc4O)CC3)no2)c1,0,1,0,0
CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2OC)cc1,0,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(Oc5ccccc5)c(OC)c4)nn32)CC1,0,0,1,0
O=C1NC(=O)c2cc(SCCc3ccccc3)ccc21,0,0,0,0
CSC(=NS(=O)(=O)c1ccc(N)cc1)NS(=O)(=O)c1cccs1,0,0,0,0
Brc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1,0,0,0,0
O=C(O)c1ccc2c(c1)nc(NC1CC1)c1nc(NCCO)ncc12,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2ccccc2o1,0,0,0,1
Cc1nc(N2CCN(C)CC2)c2nc(-c3cccc(C(F)(F)F)c3)n(C3CCOCC3)c2n1,0,0,0,0
O=C1C(=C2Nc3ccccc3C2=O)Nc2ccccc21,0,0,0,0
CN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1ccc(F)cc1,1,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(SC(F)(F)F)cc3)cc2)CCOCC1,0,0,0,1
O=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2ccoc2)cc1,0,0,0,0
Cc1nc(-c2nc(C(=O)NNS(C)(=O)=O)cs2)cs1,0,0,0,0
CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1,0,0,0,0
CNS(=O)(=O)c1ccc(N(C)CC(F)(F)F)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
Cc1ccccc1S(=O)(=O)OC1NS(=O)(=O)c2ccccc21,0,0,0,0
C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1C,0,0,0,0
CCOC(=O)C1CCN(C(=O)C(C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,1,0,0,0
CCOc1ccc(Cl)cc1C=C1C(=O)ON=C1C,0,0,0,0
CC1=C2CCc3cc(OCc4cccc(Cl)c4)ccc3N2CCC1=O,0,0,0,0
CC(=O)c1nn(-c2ccc(C)cc2)c2c1CCc1[nH]ncc1-2,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C(F)F)cc21,0,0,0,0
COc1cccc(Nc2cc(C)nc3nc(C)nn23)c1,0,0,0,0
CC(C)=Cc1oc2ccc([N+](=O)[O-])cc2c1N1CC(C)OC(C)C1,0,0,0,0
CC1CCC2(C)C3(C)CCC2(OC3=O)C12CC(c1ccoc1)OC2=O,0,0,0,0
N#C/C(=C\C1CC1)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21,0,0,1,0
COCCN1CCC(c2c[nH]c3ccc(-n4cnc5cc(C#N)ccc54)cc23)CC1,0,0,0,1
CN(C)c1ccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)cc1,1,0,0,0
COC(=O)CN1C(=O)COc2ccc(Cl)cc21,1,0,0,0
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@H](NCc2ccccc2)c2c[nH]c3ccccc23)c(OC)c1,0,0,0,0
Cc1cc(-c2cc(F)cc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C,0,0,0,0
Cc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1,0,1,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1,0,0,1,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3nc(N4C[C@@H](O)CC4=O)ccc3OC)NC(=O)NC1=O)C2,0,0,0,0
O=C(c1noc2c1CCCC2)N1CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
Cc1nc(Nc2n[nH]c3c2CN(C(=O)O[C@H](CN(C)C)c2ccccc2)C3(C)C)c2ccsc2n1,0,0,0,0
CCOC(=O)[C@]1(C)CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,0,0,0,0
COC1=CC(=O)C(Oc2ccc3ccccc3c2)=CC1=O,0,0,0,0
O=C1COc2ccc(NC(=O)N3CCN(c4ccccc4Cl)CC3)cc2N1,0,0,0,0
Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)F,0,0,0,0
C=CCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccccc2)C1=O,0,0,0,0
COc1cccc(C2(O)CC(C(F)(F)F)=NN2C(=O)c2ccccn2)c1,0,0,0,0
O=C(c1cccc(Cl)c1F)N1CCN(Cc2cccc(Nc3nccs3)n2)CC1,0,0,0,0
Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Cl)cc3)sc2n1,1,1,0,0
CCCOc1ccc(CNC(=O)CCCn2nc(C)c3sc4ccccc4c3c2=O)cc1,1,1,0,0
CCN1CCN(CCCNC(=O)c2ccc3c(c2)NC(=O)C(=Cc2cccc(C)c2)S3)CC1,1,0,0,0
CCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C,0,0,0,0
CN1C(=O)c2ccccc2CCc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21,0,0,0,0
COc1ccc(F)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1,0,1,0,0
O=C(NO)c1ccc(-c2ccn(CCNCc3ccc4[nH]ccc4c3)n2)s1,0,0,0,1
NC(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1,0,0,0,0
CCCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
O=C1/C(=C/C2CCN(Cc3ccccc3)CC2)Cc2cc3c(cc21)OCO3,0,0,0,0
Cc1cnc(C(=O)O)c[n+]1[O-],0,0,0,0
CC(C)CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
CCC(C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1cccc(C(F)(F)F)c1,0,0,0,0
C[C@@H](N)C(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,0,0,0,0
COC(=O)c1cc(=O)n(Cc2ccc(F)cc2)c(=Nc2ccccc2)s1,0,0,0,0
Cc1c(S(N)(=O)=O)cc(-c2cn(S(=O)(=O)N3CCCCC3)c3ccccc23)n1CC1CCCCC1,0,0,0,0
CC(C)(C)C(=O)OCOC(=O)[C@@H]1N2C(=O)[C@@H](/N=C/N3CCCCCC3)[C@H]2SC1(C)C,0,0,0,0
CCN(CCn1cccn1)Cc1nc(Cc2cccc(F)c2)no1,0,0,0,0
N/C(=N\OC(=O)C1CCCCC1)c1ccncc1,0,0,0,0
COCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0,0,0
COC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(CC(N)=O)cc2)S1)c1ccc(F)cc1,0,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC(F)F,0,0,0,0
O=C(c1cccs1)C1C2C(=O)N(Cc3ccc4c(c3)OCO4)C(=O)C2C2c3ccccc3C=CN12,1,0,0,0
CCc1ccc2nc(N=C(N)N)nc(C)c2c1,0,0,0,0
O=C(O[C@H]1CN2CCC1CC2)N(Cc1ccccc1)Cc1cccs1,0,0,0,0
N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(=O)(=O)C(F)(F)F)c2c1,0,0,0,0
O=C1O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]2CC[C@@H](c3cc(C(F)(F)F)ccc3-c3ccsc3)N12,0,0,0,0
Oc1cc(-c2ccccc2)nc2nc(CCc3ccccc3)nn12,1,0,0,0
Cc1cc(=O)[nH]c(N/N=C/c2ccc(N(C)C)cc2)n1,0,0,0,0
COc1cc(SC)ccc1C(=O)Nc1ncc(C)s1,0,1,0,0
Cc1cc(Nc2[nH]nc(N)c2C#N)ccc1F,0,0,0,0
CCOc1ccc(C(=O)N2CCC(c3nnc(-c4ccccc4OC)o3)CC2)cc1,1,0,0,0
COCCN(C)CC(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
CC1OC(OC2C(Oc3cc(O)c4c(c3)OC(c3ccc(O)cc3)CC4=O)OC(CO)C(O)C2O)C(O)C(O)C1O,0,0,0,0
O=C(/C=C/c1ccccc1Cl)NC1CCCCC1,0,1,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2C3CCC2CN(c2ncc4ccc(F)cc4n2)CC3)c1,0,0,0,0
Cc1cc(C(=O)N[C@H]2CCCCN(C)C(=O)CC[C@@H](C(=O)C(=O)N3CCC3)NC(=O)[C@H](Cc3ccc(F)cc3)NC2=O)no1,0,0,1,0
CC1CCN(CCOc2cc(Cl)ccc2Cl)CC1,0,0,0,0
COc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(OC)c(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1,0,0,0,0
COc1cc(CN2CCN(Cc3ccc(C)cc3)C(CCO)C2)ccc1O,0,0,0,0
C[C@H]1CN2CCN(Cc3ccc(N(C)C)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
CN1CC[C@@]23Cc4[nH]c(=O)c(C(N)=O)cc4C[C@]2(O)[C@@H]1Cc1ccc(O)cc13,0,0,0,0
CCCn1c(/N=C/c2ccc(Cl)cc2)c(C#N)sc1=S,0,0,0,0
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NC(C)CCc3ccccc3)c(C)o2)cc1,1,0,0,0
Nc1ccc(NC2CC(C(=O)O)NC2=O)cc1,0,0,0,0
CCOc1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1,1,0,0,0
COc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1F,0,0,0,0
COC(=O)c1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2Cl)cc1,0,0,0,0
CC(C)(C)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1,0,1,0,0
CC1=C(N2CCC3(CC4CN(C)CC(C3)N4C[C@H](O)c3ccc4c(c3C)COC4=O)C2=O)COC1=O,0,0,0,0
COc1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1OC,0,0,0,0
OCCNC1c2cc(Cl)ccc2-c2c(Cl)cc(Cl)cc21,0,0,0,0
CCN1C(=O)CC[C@]2(C)C3CC[C@]4(C)C(C(C)CCCC(C)C)CCC4C3[C@@H](C)CC12,0,0,0,0
O=C(c1ccc(Cl)s1)[C-](C(=S)Nc1cccc2ccccc12)[n+]1ccccc1,0,0,0,0
CC(C)Cc1sc(CO)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
O=c1c(CCc2ccccc2)nc2cncnc2n1-c1ccccc1,0,0,0,0
O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccs3)c2ncn1-c1ccccc1,0,0,0,0
CCN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ncc6cc(C(C)(C)C)cc(F)c6c5=O)c4CO)cn(C)c3=O)nc2)CC1,0,0,0,0
COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1C,0,0,0,0
COc1ccc(-c2cc3nc(NCCCN(C)C)n(C)c(=O)c3s2)c(C)c1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cccc(C)c3C)CC2)n[nH]1,1,0,0,0
O.O=C(OCC1OC2C(Oc3nc(=O)ccn32)C1O)c1ccccc1,0,0,0,0
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC1)Nc1cc(F)ccc1-n1cccc12,1,0,0,0
Cc1nc(-c2nc(-c3c(C(=O)NN)noc3C)cs2)cs1,0,1,0,0
N#Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1,0,0,0,0
COc1cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OC)c1OC,0,0,0,0
O=C(COc1ccc(Cl)cc1Cl)NC(=O)NC1CCCC1,0,1,0,0
COc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12,0,0,0,0
CC(=O)COc1ccc2c3c(c(=O)oc2c1C)CCCC3,0,0,0,0
COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21NC(N)N(CCN(C)S(C)(=O)=O)C1=O,0,0,0,0
CCN(C(=O)CO)C1CN(C(=NCCCC(F)(F)F)NC#N)N=C1c1ccc(Cl)cc1,0,0,0,0
Cc1ccc2oc(=O)c3cc(C(=O)NCCCOC(C)C)sc3c2c1,0,0,0,0
CN1C(=O)CCC1c1cc2[nH]c(-c3ccccc3)cc2cc1Oc1ccc(CCC(=O)O)cc1,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(F)cc3)c12,0,0,0,0
O=c1[nH]c(N2CCC(c3ccccc3)CC2)nc(N[C@H]2CCCNC2)c1-c1ccc2ccccc2n1,0,0,0,0
Cc1ccc(Cl)cc1NC(=S)NCCCSC1CCCCC1,0,0,0,0
N#Cc1ncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)nc1C#N,0,0,0,0
CCOC(=O)Cn1cc(/C=N/N2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc21,0,1,0,0
COc1ccc(OC)c(C(=O)COC(=O)c2ccccc2O)c1,0,1,0,0
O=C(c1cccs1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1,1,0,0,0
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3sc(C(=O)O)c(C)c3C(=O)O)CC2)s1,0,0,0,0
CN(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1,0,1,0,0
O=C1CCc2cc(C(c3ccncc3)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc3c2N1CC3,0,0,0,0
Cc1sc2ncn(CC(=O)OC(C)C(=O)NC(C)(C)C)c(=O)c2c1C,0,0,0,0
CCN(CC)CCCNC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1,0,0,0,0
CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(C(C)(C)C)cc1,0,0,0,0
Cc1ccc[n+]([C-](C(=O)c2ccccc2Cl)C(=S)NCc2ccco2)c1,0,0,0,0
COCCNC(=O)c1cnn2c1NC(c1ccco1)CC2C(F)(F)F,0,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3Oc3cc(C4CC4)ncn3)cc2F)cn1,0,0,0,0
COCCNC(=O)c1ccc2c(=O)n(CCc3ccccc3)c(SCC(=O)CC(=O)OC)nc2c1,1,0,0,0
Cc1nc(N)nc(-c2c(Nc3cccc4[nH]ncc34)nc3ccccn23)n1,0,0,0,0
N#CC1(c2ccccc2OC(F)(F)F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
O=c1nc2[nH]c(=S)[nH]c2c2n1CCCS2,0,0,0,0
COc1cccc(C(=O)N2CCC(O)(c3cccnc3)CC2)c1,0,0,0,0
O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(c2ccccn2)CC1,0,0,0,0
Cc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,0,0,0,0
CCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N,0,0,1,0
CCOCCCNc1ncc2c(n1)CC(c1ccc(C)cc1)CC2=O,0,0,0,0
CC=CC=CC(=O)Nc1cccc(C2=NOC3(C2)CC(C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1,1,0,0,0
C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1,0,0,0,0
COc1ccc(CCNC(=O)COc2coc(CN3c4ccccc4CC3C)cc2=O)cc1OC,1,0,0,0
O=C1C=C(c2ccccc2)OC12CCNCC2,0,0,0,0
CCc1c(O)n(C(C)CC)c(SCc2ccccc2)nc1=O,0,0,0,0
CC1CCN(CCCOc2ccc(OCc3ccccc3)cc2)CC1,0,0,0,0
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(C)C)O2,1,0,0,0
CCCS(=O)(=O)NC[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c12,0,0,0,0
COc1ccc2cc(-c3ccon3)ccc2c1,0,1,0,0
COc1ccc(C)cc1NC(=O)N1CCN(c2cc(-c3noc(C)n3)ccc2C)CC1,1,0,0,0
COCCCNC(=O)CSc1nc2cc(S(=O)(=O)N3CCCCC3)ccc2o1,0,0,0,0
CCC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,0,0,0,0
COCCn1c(C)cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c1C,0,1,0,0
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCCO,1,0,0,0
Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3N3CCOCC3)cc2)n1,1,0,0,0
COc1cc(C2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc(OC)c1OC,0,0,0,0
Cc1ccc(-c2[nH]c3c(=O)n(C)c(=O)n(C)c3c2O)cc1,0,0,0,0
Cn1cc(-c2cn(-c3cccc4c(-c5ccc(C(N)=O)c(NCC6CCCO6)c5)nccc34)cn2)cn1,0,0,0,0
COc1cc([C@@]2(O)CCN(C(=O)OC(C)(C)C)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
O=C(O)CN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1,0,0,0,0
Cc1cc(C)nc(N2C(=O)CC(C(=O)O)NC2=NCCc2c[nH]c3ccccc23)n1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC#N)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
COc1cc(N=C2C(=O)N3c4c(cccc42)C(C)=CC3(C)C)cc(OC)c1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CC(O)CC2C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1,0,0,0,0
COc1cc(CNc2ccc(C(=N)N)cc2)c(NS(C)(=O)=O)cc1OCc1ccccc1,0,0,0,0
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=O)c3ccccc3O)C1(O)CCC2C1=CC(=O)OC1,0,0,0,0
CSCCC(NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1)C(=O)O,0,0,1,0
COc1ccc(-c2cc(=O)c3ccc(F)cc3[nH]2)cc1,0,0,0,0
CC(=O)N1CCc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
CC1(C)Nc2ccc3c(c2C(C)(C)C1=O)C(c1ccc(Cl)cc1)Oc1ccccc1-3,0,0,0,0
O=C(c1cscn1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,0,0,0,0
COCCCNC(=O)CC1Oc2ccccc2NC1=O,1,0,0,0
COCCNc1ncnc2nc[nH]c12,0,0,0,0
CC(=O)N1N=C(c2cc(F)ccc2F)S[C@]12c1ccccc1OC[C@@H]2CCN,0,0,0,0
Cc1cccc(NC(=S)NCc2ccc3c(c2)cc(C)n3C)c1C,0,0,0,1
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(C(F)(F)F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCC(=O)N/C(N)=N/c1nc(C)c2cc(OC)ccc2n1,0,1,0,0
O=C1Nc2ccc(F)c(F)c2C(CCF)(c2ccc(F)cc2)N1CC(F)(F)F,0,0,0,0
COCCOC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1,0,0,0,0
COc1cc(Nc2cc(C)nc3ncnn23)cc(OC)c1OC,0,0,0,0
Cc1cc(C)c2c(CN3CCOCC3)cc(=O)oc2c1C,0,0,0,0
NS(=O)(=O)c1cc2c(s1)SC(CCO)CN2,0,0,0,0
O=C(O)c1cccc(N2C(=S)N=C(Nc3ccccc3)C23CCCCC3)c1,0,0,0,0
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCN3CCC3)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,0,0,0,0
C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCC(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1ccccc1F,0,0,0,0
CCCC(=O)c1cc(F)c(N2CCOCC2)cc1C,0,0,0,0
c1ccc(C(c2ccccc2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
CCCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12,0,0,0,0
CC1(C)OC(=NC2CCCCC2)NS(=O)(=O)C12CC2,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cscn2)CC1,0,0,0,0
O=C(COc1ccc(Cl)cc1Cl)c1ccc[nH]1,0,1,0,0
COc1ccc(OC)c(Nc2nc3ccccc3n3cnnc23)c1,1,0,0,0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NC(C)C(=O)NO)n1,0,0,0,0
O=C(N[C@H]1CCCN2c3ccccc3Oc3ccccc3[C@H]12)C(F)(F)F,0,0,0,0
Cc1[nH]ncc1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12,0,0,0,0
O=S1(=O)C=C(SCCN2CCOCC2)c2ccccc21,0,0,0,0
Cc1cc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)ccc1Cl,0,0,1,0
CCOc1ccccc1N1CCN(C(=O)NCc2ccc(C)cc2)CC1,1,0,0,0
CCn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)C2,0,0,1,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(CN3CCC4CNC4C3)cc2)n1,0,0,0,0
CC(Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1)c1ccc(-c2ccccc2)cc1,0,0,0,0
Cc1ccc(N2C(=O)N(CC(=O)N3CCCc4ccccc43)C(=O)C2C)cc1,0,0,0,0
Cc1nc2ccnc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(C)(C)C,0,0,0,0
Cc1nnc(SCC2CCCO2)n1-c1ccccc1,0,0,0,0
Cc1cccc(OCCc2nnc(N)s2)c1C,0,0,0,0
CCOc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1,0,0,0,0
Sc1nnc(-c2ccc3ccccc3n2)n1-c1cc(Cl)cc(Cl)c1,1,0,0,0
Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc4C3)cc12,1,0,0,0
CC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(-c2csc(C)n2)c1C,0,0,0,0
c1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1,0,0,0,0
CCCc1nc(CC)c(C(=O)OCC#CC(=O)N(c2ccccc2)c2ccccc2)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CN(C)C[C@H]1CCCC[C@]1(OCCO)c1cccc(O)c1,0,0,0,0
CCc1ccc(-c2nc(CSCC(=O)NC3CC3)c(C)o2)cc1,0,1,0,0
COc1ccc(-c2c(C(N)=O)c3n(c2C)CCN(C(=O)NC(C)(C)C)C3)cc1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cccc(Cl)c1)O2,0,0,0,0
O=C(c1cccc(Cl)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)c(OC)cc1NC(C)=O,0,0,0,0
C[N+]1(Cc2ccccc2)CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,0,0,0,0
C=CCOc1ccc2ccccc2c1CNn1cn[nH]c1=S,0,0,0,0
c1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,0,0,0,0
C#Cc1cc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)ccn1,0,0,1,0
Cc1c(O)ccc2c(=O)c(Oc3ccccc3)coc12,0,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3cnco3)n2)CC1,0,0,0,0
CCCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)O)ccc3OC(F)(F)F)cc21,0,0,0,0
CCOc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)cc1,1,0,0,0
CCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1,0,0,0,0
O=C(O)CCCNC(=O)CCn1nnc2ccccc2c1=O,0,0,0,0
NS(=O)(=O)c1c(F)c(F)c(NCc2ccccc2)c(F)c1F,0,0,0,1
Cc1cn2c(-c3ccc(Cl)cc3)nnc2s1,1,0,0,0
COc1ccc(Cl)cc1N=C(N)Nc1nc(O)cc(CSc2ccc(C)cc2)n1,1,0,0,0
Cc1cc(C=O)c(C)n1-c1ccc(NC2CCCC2)c([N+](=O)[O-])c1,0,0,0,0
COc1cc2c(cc1OC)/C(=C/C(=O)c1ccc(C)cc1)NCC2,0,1,0,0
Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCCC1,0,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c2)n1,0,0,1,0
NC1CCC(N[C@@H]2C[C@H]2c2ccc(OCc3cccnc3)cc2)CC1,0,0,0,0
CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCC(C(N)=O)CC3)c2c1C,1,0,0,0
CCSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=S,0,0,0,0
COc1cccc(Cn2c(=O)ccc3ccccc32)c1,0,0,0,0
O=S(=O)(NC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1)C(F)(F)F,0,0,0,0
Clc1ccc2c(c1)Oc1cc(Cl)c(Cl)cc1O2,0,0,0,0
Cc1cnc(-c2cccc(Cl)c2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
O=C(c1ccc(Br)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,1,0,0,0
COc1ccc(N2CCN(C(=O)c3ccc(C[S+]([O-])c4cccc(C)c4)o3)CC2)cc1,1,0,0,0
COc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)no2)cc1,0,0,0,0
CCN(CC)c1ccc(-c2[nH]c(-c3ccc(/C=C/C(=O)OC)cc3)nc2-c2cccc(N(CC)CC)c2)cc1,0,0,0,0
O=C(c1noc2c1CCc1ccccc1-2)N1CCOCC1,0,0,0,0
CC(C)OC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(Cl)c2)C1,0,0,0,0
COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1,0,0,0,0
O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)C(Cc1cccc(F)c1)C(N1CCCC1)CC2,0,0,0,0
Cn1cc(CN2CC3C[C@@H]4CC2C[C@H](C3)C4)c(-c2ccc3c(c2)OCCO3)n1,0,0,0,0
CC(C)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1,0,0,0,0
COc1ccc(C2C=C(c3ccccc3)Nc3nc(NS(=O)(=O)c4ccc(Cl)cc4)nn32)cc1,0,0,0,0
COc1ccc(N2C(=S)N=C(Nc3ccccc3)C23CCCCC3)cc1,0,0,0,0
COC(=O)C1CC(O)CN1C(=O)c1ccco1,0,0,0,0
O=c1nc(CN2CCN(CC=Cc3ccccc3)CC2)[nH]c2cc(Cl)ccc12,1,0,0,0
CCOc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,0,0,0,0
CN(C)S(=O)(=O)N(C)C[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
O=C(c1nn(-c2cccc(F)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
Cc1cc(CN(C)Cc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)n[nH]1,0,0,0,0
CCCCOc1c(Br)cc(/C=C2\N=C(C)OC2=O)cc1OCC,0,0,0,0
Cc1ccc2cc(C#N)c(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)nc2c1,1,0,0,0
COc1cccc(CNCCSc2nnnn2C)c1,0,0,0,0
CCCCOc1ccc(C(=O)NC(=Cc2cccc([N+](=O)[O-])c2)C(=O)OCCC)cc1,1,0,0,0
Cc1cccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n1,0,1,0,0
Cc1c(-c2ccc(Cl)cc2)[nH]c2nccnc12,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(S(N)(=O)=O)c4)cn3)[C@H]12,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCC#N)c5ccccc5)nc(N)n4)c3c2)cn1,0,0,0,0
CC(C)[C@H](CO)NCc1nc(-c2ccc(C(F)(F)F)s2)ccc1F,0,0,0,0
CC(=O)Nc1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CCN1CCn2c1nc(N1CCCCC1)nc2=O,0,0,0,0
COc1ccc(C(=O)Oc2c(Sc3ccc(C)cc3)c(C)nn2C(C)(C)C)cc1OC,0,0,0,0
CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2Cl)C(=O)NCCCn2ccnc2)c2ccccc21,1,0,0,0
N#C[C@@H]1C[C@@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)NCc2ccncc2)c1,0,0,0,0
O=c1[nH]c2ncccc2n1O,0,0,0,0
COc1cccc(NC(=O)C(OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1,1,0,0,0
O=S(=O)(N1CCOCC1)N1CCc2nc(C#Cc3ccccc3)sc2C1,0,0,0,0
O=c1[nH]cnc2c1ncn2CC[C@@H]1C[C@H]1C(F)(F)P(=O)(O)O,0,0,0,0
Cc1nc2cc3c(cc2o1)[C@@H]1CCCN(C(=O)c2ccc4nc[nH]c4c2)[C@@H]1C3,0,0,0,0
N#CCC(=O)Nc1ccc(C(F)(F)F)cc1N1CCOCC1,0,0,0,0
CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1,0,0,0,0
COc1ccc(/C=C/C(=O)N(C)C2CCCCC2)cc1Br,0,1,0,0
Cc1cccc(NC(=O)CSCC(=O)Nc2cc(Cl)ccc2N2CCN(C)CC2)c1,1,0,0,0
Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)c1C,1,0,0,0
Cc1cc(C)cc(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccccc2)c1,1,0,0,0
CC(C)CN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1,0,0,0,0
CC(C)c1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C,0,0,0,0
Cc1cc(C)c2oc(C(=O)N(Cc3cccs3)C3CCS(=O)(=O)C3)cc(=O)c2c1,1,0,0,0
O=C(O)C1Cc2c([nH]c3ccccc23)C(c2coc3ccccc3c2=O)N1,0,0,0,0
COc1ccc(CCNc2cc(=O)[nH]c(N)n2)cc1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)N1CCC(O)(Cc2ccccc2)CC1,0,0,0,0
COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CCC1Oc2ccc(C)cc2N(CC(=O)N(Cc2ccc(C)o2)C2CC(C)(C)NC(C)(C)C2)C1=O,1,0,0,0
Oc1ccc(Br)cc1CNc1cnc2ccccc2c1,1,0,0,0
COc1ccccc1CCCNC(=O)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1,1,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3cccc(Cl)n3)CC2)C1,0,0,0,0
CCN1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1,0,0,0,0
N#CC(=Cc1ccc(Cl)cc1)NC(=O)c1ccccc1,1,0,0,0
O=C1c2cccc3n[nH]c(c23)CCN1CC1CN2CCC1CC2,0,0,0,0
CCCc1cc(Nc2ccccc2C)n2ncnc2n1,0,0,0,0
CCN(CC)CCCn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
CC(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccc(F)cc1,1,0,0,0
CCOC1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=CC(c2ccc(C(F)(F)F)cc2)C1CCCO,1,0,0,0
Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1C,0,0,0,0
COc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2cccc(Cl)c2Cl)C1,0,0,0,0
COc1ccc(C)cc1Nc1cc(C)nc2ncnn12,0,0,0,0
COc1ccc(N2CCN(C(=O)Cc3nn(C)c(=O)c4ccccc34)CC2)cc1,1,0,0,0
CCC(=O)NC(c1ccc(OC)cc1)c1cc(Cl)c2cccnc2c1O,0,0,0,0
CC(C)CNC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1,0,0,0,0
Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1Br,0,0,0,0
CS(=O)(=O)N1CCN=C1SCc1ccc([N+](=O)[O-])cc1,0,0,0,0
CCNC(=O)c1oc2c(c1C)C(=O)CC(C)(C)C2,0,0,0,0
COc1ccc(CN(C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)cc1,0,0,0,0
COc1cccc(C2C(C(=O)Nc3ccccc3)=C(C)N=C3NC(c4ccccc4)=NN32)c1,1,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cc32)cc1C,0,0,0,0
CN(C)C=Nc1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1,0,0,0,0
CCOC(=O)C1(CCc2ccccc2)CCN(Cc2cccc3c2OCO3)CC1,0,0,0,0
COc1ccc(OC)c(-c2ccc3c(N)nc(N)nc3c2)c1,0,0,0,0
COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1Cl,0,0,0,0
COc1ccc(-c2oc3cccnc3c2C#CC2(O)CCCCC2)cc1,1,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CN(c3cnc(NC4CCC4)nc3)C2)cc1,0,0,0,0
COc1ccc2c(C)cc(SCC(=O)Nc3cc(C(N)=O)cc(C(N)=O)c3)nc2c1,0,0,0,1
O=S(=O)(c1ccccc1)c1cc(OC(F)(F)F)c2oc3c(c2c1)CNCC3,0,0,0,0
S=C(c1nc2ccccc2[nH]1)N1CCOCC1,0,0,0,0
Cc1c(C(=O)N2CCOCC2)sc2ncnc(N3CCc4ccccc4C3)c12,1,0,0,0
Cc1cc(Nc2ccc(F)cc2)n2nc(C)nc2n1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(F)c(OC)c3)oc2c1,0,0,0,0
S=c1cnc2ccccc2[nH]1,0,0,0,1
CC(NC1CCCC1)c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1,0,0,0,0
Cc1cc(C=C2SC(=S)N(C)C2=O)c(C)n1-c1ccc(O)cc1,0,0,0,0
COCC(=O)N1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1,0,0,0,0
CCCC[C@H]1CN(CC2CCC(OC(C)C)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ncnc4C)C[C@@H]3C1)CC2,0,0,0,0
CC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
Cc1c(-c2ccnc(N)n2)sc2ccc(Cc3ccccc3)cc12,0,0,0,0
O=C(CSc1nnc2ccccn12)c1ccc2c(c1)OCCO2,0,1,0,0
Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)s1,0,1,0,0
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4ccc(C(=O)N5CCOCC5)cc4)nc23)cc1,0,0,0,0
CSCCCN1CCCC(CO)(Cc2ccc(F)cc2)C1,0,0,0,0
Cn1cccc1Cc1nnc(SCC(=O)NC2CCCC2)n1CCc1ccccc1,1,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/NC(N)=S)cc1OC,0,1,0,0
N#Cc1cncc(C(CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1,0,0,0,0
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccccc1,0,0,0,0
OCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2c(Br)cc(C(F)(F)F)cn2n1,0,0,0,0
CCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)o3)ccc12,0,1,0,0
Cc1cc(C(=O)O)ccc1-c1cccc(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1,0,0,0,0
CC(C)C1N(C(=O)N(C)C)CCN1S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc(-c2cc3nc(N)nc(N)c3cc2C)cc1OC,0,0,0,0
CCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1ccccc1-2,0,0,0,0
CC(C=CC=C(C)C=CC1=C(C)CCCC1(C)C)=CC=O,1,0,0,0
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NC3CCCCC3)c2)on1,0,0,0,0
CC(=N)N1CCC(N(C(=O)CCC(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,0,0,0,0
CSc1ccc(CNc2ccc(Cl)cc2)cc1,0,1,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1C)C(F)(F)F,0,0,0,0
CN(CC(=O)Nc1ccc(F)cc1)C(=O)COc1ccccc1Cc1ccccc1,1,0,0,0
CCOC(=O)c1nnc2cc(-c3ccccc3)nn2c1C,0,0,0,0
CC1(C)CC(=O)C2=C(C1)Oc1nc3ccccc3cc1C2C(C#N)C#N,0,0,0,0
CNC[C@@H](O)[C@@H](c1ccccc1)N(C)c1ccccc1,0,0,0,0
COc1ccc(C2(C)CC(=O)NC2=O)cc1,0,0,0,0
Cc1cc(C2=NNC(=NCc3ccccc3)SC2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
COc1ccc(-c2csc(-c3cccs3)n2)cc1OC,0,1,0,0
CCN1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,0,0,0,0
CCCn1cnc2sc(C(N)=O)c(C)c2c1=O,0,0,0,0
CCc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1,0,1,0,0
O=c1cc(NC2CCN(Cc3ccc4ncoc4c3)CC2)c2cc(Cl)ccc2o1,0,0,0,0
CC(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCC(C)C2,0,1,0,0
NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCCNC(=O)[C@H]1C[C@H](O)[C@@H](n2cnc3c(N)ncnc32)C1,0,0,0,0
COc1ncc(-c2cnc3nc(N)c(-c4ccccc4)cc3c2)cc1NS(=O)(=O)c1ccc(F)cc1F,0,0,0,0
Cc1nn(-c2nc(=O)c(C)n[nH]2)c(C)c1SCC(=O)Nc1ccc(C(C)C)cc1,1,0,0,0
CCn1cc(C(=O)NCc2ccccc2Cl)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,1,0,0,0
COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(OC)cc1,1,0,0,0
C[C@H]1CCCN1CCc1ccc(-c2ccc(C(=O)O)cc2)cc1,0,0,0,0
CCN(CC)CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,0,0,0,0
O=C(O)Cc1sc(C(Cc2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1,0,0,0,0
COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4ccno4)cc3OC)CC2)c1,0,0,0,0
Cc1[nH]cnc1CN1CCN(c2cccc(Br)c2)C1=O,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NNC(=S)NCc2ccco2)cc1,0,0,0,0
Cc1cc(C)n(CC(O)Cn2c3ccccc3c3ccccc32)n1,1,0,0,0
CC(C)[C@@H](C)[C@@]1(C)CC[C@]2(C)[C@H]3CC[C@@H]4[C@@]5(COC[C@@]4(C)[C@@H](OC[C@](C)(N)C(C)(C)C)[C@H](n4ncnc4-c4ccncc4)C5)C3=CC[C@@]2(C)[C@@H]1C(=O)O,0,0,0,0
Cc1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(OCCBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O,0,0,1,0
CCC1CCCCN1C(=O)c1ccc([N+](=O)[O-])o1,0,0,0,0
Fc1ccc(F)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1,1,0,0,0
C#Cc1nccc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)n1,0,0,1,0
CCOC[C@@H]1[C@@H]2Cc3c(C(=O)O)n[nH]c3[C@H]12,0,0,0,0
Cc1cc(C)nc(Nc2n[nH]c(Cc3ccccc3)n2)n1,1,0,0,0
Cc1noc(NS(=O)(=O)c2cccc(OCC(=O)O)c2-c2ccc(CC(C)C)cc2)c1C,0,0,0,0
Cc1ccccc1-c1ccc(OCCN(C)CC(=O)O)c(C(=O)c2cccs2)c1,0,0,0,0
CCN1CCCC1Cn1c(-c2ccccc2)nc2c(NC3CCCCC3)nc(C)nc21,1,0,0,0
Cc1ccc(-c2n[nH]c(=S)n2N=Cc2sccc2C)cc1,0,0,0,0
Cc1ccc(C(=O)N/N=C2\CCc3ccccc32)c(C)c1,0,1,0,0
NC(=O)C1CN(C(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)c2ccccc2O1,1,0,0,0
COc1cccc(NC(=S)NCc2ccc3c(c2)cc(C)n3C)c1,0,0,0,0
Cc1cccc(N=Cc2c(O)cc(C)oc2=O)n1,0,0,0,0
O=C(c1ccccc1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
O=C(Cc1ccc(Cl)c(Cl)c1)NCC1(N2CCOCC2)CCCCC1,1,0,0,0
O=c1[nH]c2ncccc2n2c(=O)n(-c3ccccc3)nc12,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2F)C1,0,0,0,0
CNC(=O)CSc1nc2ccccc2c(=O)n1C1CCCCC1,0,0,0,0
CCOc1ccc(NC(=S)NCc2ccc3[nH]c(C)cc3c2)cc1,0,0,0,0
C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccccc1O,1,0,0,0
O=C(c1cccc(NS(=O)(=O)c2ccccc2)c1)N1CCCCC1,0,0,0,0
Cc1[nH]c([C@@](C)(N)COP(=O)(O)O)nc1-c1ccc(OCc2ccc(-c3ccccc3)cc2)c(C(F)(F)F)c1,0,0,0,0
CCN(CC)CCCNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O,0,0,0,0
O=C(O)C[C@@H]1COc2cc3c(cc21)OCC(c1cc(F)cc(Br)c1)O3,0,0,0,0
Cc1cccc(-n2c(-c3ccco3)n[nH]c2=S)c1,0,0,0,0
COCCn1c(=O)c(-c2cccc(F)c2)nc2cncnc21,0,0,0,0
Cc1cccc(-n2c(C=Cc3c(C)[nH]c4ccccc34)nc3ccccc3c2=O)c1,0,0,0,0
O=C(OCc1ccccc1Cl)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,0,0,0,0
CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12,0,0,0,0
CCCc1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1,0,0,0,0
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCCNC(=O)c1ccc(Cn2cc(-c3ccc(OC)cc3)nc2C(C)N)cc1,0,0,0,0
COc1ccc(-c2n[nH]c(=S)[nH]2)cc1,0,0,0,0
Cc1cn2c(=O)c(S(=O)(=O)NC(C)c3ccccc3)c(C)nc2s1,0,0,0,0
CN1C(=O)OC2(CCN(CC[C@@H](C(=O)N(C)[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,0,0,0,0
CSC1=NCCN1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
CCOC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1,0,0,0,0
COC(=O)c1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1,0,0,0,0
Cc1cc(N=S2(=O)CC(C)(C)C2)cc2ncnc(Nc3ccc(Cl)cc3O[C@@H](C)C(=O)N[C@H](C)C(F)(F)F)c12,0,0,0,0
Cc1cc(Nc2ncc(-c3nc4ccccc4s3)c(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)n2)cc(C)n1,0,0,0,0
CC(=O)Nc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,0,0,0,0
CC[C@H]1Cn2c(nnc2-c2cccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl,0,0,0,0
N#Cc1ccccc1OCC(=O)NC(=O)NCc1ccco1,0,1,0,0
O=C(Nc1nc2ccc(F)cc2s1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1,1,0,0,0
CCOc1cc(C=O)ccc1OCCSc1ccc(C)cc1,0,0,0,0
c1ccc(OCCCc2nc(-c3ccncc3)no2)cc1,0,0,0,0
CCN(CCn1cccn1)Cc1nc(-c2ccc(F)c(OC)c2)oc1C,1,0,0,0
CCOC(=O)C(c1ccccc1)C1CCCCN1,0,0,0,0
COc1ccc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc1,0,0,0,0
Cc1cc(CCCCNCc2ccc3c(c2)OCO3)nc(-n2ccnc2)n1,0,0,0,0
CCCC(Oc1ccc(-n2cc(-c3ccccc3)cn2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
COc1ccc(S(=O)(=O)N(C(=O)c2ccncc2)c2ccc3oc4c(c3c2)CCCC4)cc1,0,0,0,0
Cc1ncc(C)n2nc(CCc3cnc(-c4cscn4)[nH]3)nc12,0,0,0,0
CCCc1cc(=O)n2nc(NCc3c(F)cccc3Cl)nc2[nH]1,0,0,0,0
CC(C)C(NC(=O)Cn1ccc2c(=O)n(CC(=O)O)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,0,0,0,0
CCCC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
CC1(C)CC2CC(C)(CN2C(=O)c2sc(-c3ccc(S(C)(=O)=O)c([N+](=O)[O-])c3)nc2C(F)(F)F)C1,0,0,0,0
C[C@H](Nc1nccc(N2C(=O)OCC2(C)C)n1)C1CCCCC1,0,0,0,0
CCC(C)NC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2,0,0,0,0
CCCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1,1,0,0,0
CCCCCc1cc(=O)oc2c(C(CCN3CCCC(C)C3)c3ccc4c(c3)OCO4)c(OC)cc(OC)c12,1,0,0,0
COc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cc1,1,0,0,0
O=S(=O)(c1ccc(S(=O)(=O)N2CCN(CC=Cc3ccccc3)CC2)cc1)N1CCCC1,1,0,0,0
O=C(O)[C@@H](Cc1ccccc1)Oc1c(Br)cc(-c2c3ccccc3c(Br)c3sc4ccccc4c23)cc1Br,0,0,0,0
COCC(=O)Nc1sc2c(c1C(=O)OC)CCC(C)C2,1,0,0,0
CN(C)c1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NCCO)c1C,0,0,0,0
CCOc1cc(CNc2ccc(Br)cc2)cc(Br)c1OCC(=O)NC(C)(C)C,0,0,0,0
Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4)C(C)C3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,1,0,0,0
O=C(NO)c1cccc(NCc2ccccc2)c1,0,0,0,0
CN(Cc1ccc(Cl)cc1)c1ccc(OCCCCCCC(=O)NO)cc1,0,0,0,0
Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccc2C)n1,1,0,0,0
Nc1ccc2c(c1)C(=O)N(CC1CCCO1)C2=O,0,0,0,0
CCC(C)(c1nnnn1-c1c(C)cccc1C)N(N=O)c1ccccc1Cl,0,0,0,0
Cc1cc([C@@H](C)Nc2ccc(Cl)c(CN3CC[C@@H](C(=O)O)C3)c2)cc(C)c1Cl,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](NS(C)(=O)=O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12,0,0,0,0
CCOP(=O)(OCC)C1(O)C(=O)Nc2ccc(Br)cc21,0,0,0,0
COc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1OC,0,0,0,0
CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(CCO)CC1,0,0,0,0
Cc1ncc(N2CCNCC2)cc1Cl,0,0,0,0
Cc1cc(-c2cccc(Cl)c2)ncc1C1CCCN1C(=O)c1ccncn1,0,0,0,0
CC(C)(C)NCC(O)COC(=O)C1c2ccccc2-c2ccccc21,0,0,0,0
Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)ns2)ccc1OC(C)(C)C(=O)O,0,0,0,0
Cc1ccccc1CN1CCN(C(=O)CC(C)C)CC1,0,0,0,0
Cn1c(=O)c2c(SC3CCCC3)nc(C3CC3)nc2n(C)c1=O,0,0,0,0
Cc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1Cl,0,0,0,0
OCCN1CCN(CC(O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)CC1,1,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc([N+](=O)[O-])cc3)c2)n1,0,0,1,0
COc1cccc([C@H]2O[C@H](CC(=O)NCCCC(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC,0,0,0,0
CC(C)=NO[C@@H](C)c1cc(-c2c(C)cc(C)cc2C)no1,0,0,0,0
CCCCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)(F)F)c1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(C(=O)OCC)CC2)cn1C,0,0,0,0
COc1cc(OC)cc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1,1,0,0,0
NS(=O)(=O)c1ccc(O)c(N2C(=O)c3cccc4c(C(=O)c5ccccc5)ccc(c34)C2=O)c1,1,0,0,0
Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
Cc1ccc(-c2nn(-c3ccccc3)cc2C2N[C@H](C(=O)O)CS2)cc1,0,0,0,0
CCCc1c(C)[nH]c(N2CCN(c3cccc(OC)c3)CC2)nc1=O,0,0,0,0
CCOc1nc(-c2ccccc2Cl)nc2ccccc12,0,0,0,0
C=Cc1ccc2c(c1)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2,0,0,0,0
Cn1cc(-c2ccc(Cc3[nH]nc4ccc(NS(C)(=O)=O)cc34)cc2)cn1,0,0,0,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cn[nH]c3)cc2F)n1,0,0,0,0
CC1(C)CC(=O)C(C=NCCc2ccc(S(N)(=O)=O)cc2)=C(O)C1,0,0,0,0
Cc1cc(-c2cnn(C(C)(C)CC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COCCn1c(SC)nc(-c2ccc(F)cc2)c1-c1ccnc(N[C@H](C)c2ccccc2)c1,0,0,0,0
Cc1nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)N(C)C)c2)c2[nH]cnc2n1,0,0,0,0
COC(=O)c1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1,0,0,0,0
CC(C)(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
Cc1occc1C(=O)NCCc1cccc(Cl)c1,0,1,0,0
CC(C)C[C@@H](CO)NCC(=O)N1CCc2ccccc2C1C1CCCCC1,0,0,0,0
CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C(=O)N1CCC(O)CC1,0,0,0,0
Cc1noc(C)c1Cn1cc(N2C(=O)N(Cc3cccnc3)C(C)(C)C2=O)cn1,0,0,0,0
COc1cccc(NC(=O)CCC2CCN(C(=O)Cc3cccc(F)c3)CC2)c1,1,0,0,0
COc1ccc(C(=O)CCc2nc3ccccc3s2)cc1,0,1,0,0
Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1C,0,0,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3C)c(NC)n2)ccc1C,0,0,1,0
NS(=O)(=O)c1ccccc1N1C(=O)c2cccnc2C1=O,0,0,0,0
CCCS(=O)(=O)N[C@@H](C)CNc1cc(C)cc2c1cnn2-c1cccc(C(=O)NC(C)C)c1,0,0,0,0
CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)c(F)cc3F)C2)nc(OC)c1F,0,0,0,0
COc1cc(CNc2ccc(NC(C)=O)cc2)ccc1OCc1ccccc1C,0,1,0,0
CC(C)ONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
O=C(CN1CCN(S(=O)(=O)c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1,1,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncc(Cl)s2)ccc1Oc1ccc(F)cc1-c1ccc(N)nc1,0,0,0,0
O=c1cc(-c2ccccc2)[nH]c2ccc(Cl)cc12,0,0,0,0
Cc1nc([N+](=O)[O-])cn1CC(O)c1ccccc1,0,0,0,0
N#Cc1cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)ccn1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(O)CCc1ccc(NCc2ccc(Cl)c(Cl)c2)cc1,0,0,0,0
Cn1c(=O)n(Cc2ccccc2)c(=O)c2c1nc1n2CCCN1CCc1ccccc1,1,0,0,0
Cc1cccc2c1N(C1CCN(S(=O)(=O)c3cccc4cccnc34)CC1)C(=O)OC2,0,0,0,0
CCN(CC)c1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
Nc1ncc(-c2cc(Nc3ccc(Oc4ccccc4)nc3)nc(N3CCOCC3)n2)cn1,0,0,0,0
CCN(CC)CCNC(=O)COc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Nc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
COc1ccc(CNc2ccc(Br)cc2)cc1,0,1,0,0
COc1ccc2cc(C(=O)C3CCCN(C(=O)c4sc(C)nc4C)C3)ccc2c1,1,0,0,0
COCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,0,0,0,0
N#Cc1nc(Cc2cccc3ccccc23)oc1NCc1ccc(F)cc1,0,0,0,0
CC(C)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCOc4ccc(Cl)cc43)c2)on1,1,0,0,0
Cc1cnc(-c2ccnc(N3CCC(NS(C)(=O)=O)CC3)c2)c(C)c1,0,0,0,0
C[C@H](CO)NC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1,0,0,0,0
COc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(F)(F)F)cc1,0,0,0,0
CC(C)NC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
CNS(=O)(=O)c1ccc(OC)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1ccc(C#N)cc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc4c(c3)CCO4)C2)cc1,0,0,0,0
Fc1ccc(CSc2nc3ccccc3[nH]2)c2ccccc12,1,1,0,0
CCCCSc1nn[nH]n1,0,0,0,0
O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)s1)c1c(F)ccc(O)c1F,0,0,0,0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCc1ccccc1F,0,0,0,0
CC(C)(C)Cn1cc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
Clc1cccc(-c2nncn2Cc2cccc3ccccc23)c1Cl,0,0,0,0
COc1ccc(-c2cc(=O)c3cc(F)ccc3[nH]2)cc1,0,0,0,0
Cc1nnc(CNc2cc(OC[C@@H]3C[C@H]3c3ccn(C)n3)nn(C)c2=O)s1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
[C-]#[N+]c1cc(N)cc(-c2cc3nc(N)nc(N)c3cc2C)c1,0,0,0,0
CCn1cc(C(=O)NCCCOC(C)C)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,1,0,0,0
c1cc(CCCCc2nn[nH]n2)n2cncc2c1,0,0,0,0
CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccc(OC)cc2)s1,0,0,0,1
O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1n[nH]c2ccccc12,0,0,0,0
COc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1O,0,0,0,0
COC(=O)c1ccc(Cn2cc(C(F)(F)F)cc([N+](=O)[O-])c2=O)cc1,0,0,0,0
CN(C)c1cc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)ncn1,0,0,0,0
CC1Cc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2CN1,0,0,0,0
Nc1nn(-c2ccccc2)nc1C(=O)OCc1cccc(F)c1,0,0,0,0
COc1ccccc1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cc1ccc(CN2CC(C)C(c3nn4c(C5CCOCC5)ncc4c(=O)[nH]3)C2)o1,0,0,0,0
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1,0,0,0,0
CC1c2cc(Cc3ccccc3)c(-c3ccccc3)n2CCN1Cc1cnc(N)nc1N,0,0,0,0
NC1CC(N)CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)C1,0,0,0,0
C=C(C)CSc1nnc2[nH]c(=O)cc(N)n12,0,0,0,0
CCCCOc1c(C(=O)c2c(F)cc(Cl)cc2F)cnc2n[nH]cc12,0,0,0,1
N#Cc1ccc(OCc2ccc(-c3ccc(CN4CCCCC4)cc3)cc2)cc1,0,0,0,0
COC(=O)c1ccc(NC(=O)N2CCCC(C(=O)c3ccccc3OC)C2)cc1,0,0,0,0
O=C1c2cccc3n[nH]c(c23)CCN1[C@H]1CN2CCC1CC2,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(CBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O,0,0,1,0
COc1nn2cc(-c3cccc(C(F)(F)F)c3)nc2s1,0,0,0,0
CCN1CCN(c2ccc(Nc3cc(-c4cccc(-n5ncc6cc(C(C)(C)C)ccc6c5=O)c4CO)cn(C)c3=O)nc2)CC1,0,0,0,0
COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccccc2)n1,0,0,0,0
Cc1c(CCC(C)C)c(=O)n2c([nH]c3ccccc32)c1C#N,0,0,0,0
COC(=O)c1ccc(NC2C3NCCCC3C(=O)N2Cc2cccs2)cc1,0,0,0,0
Cn1cc(Nc2cc(-n3ncc4cc(Cl)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)cc4OC)nn23)c1,0,0,0,0
COc1ccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC2)cc1,0,0,0,0
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C1(C)CCN(C(=O)OC(C)(C)C)CC1)CC2,0,0,0,0
COc1ccc(CCO)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccnc2)c1,0,0,0,0
Cc1ccc(NC(=O)c2cncc(Br)c2)cc1S(=O)(=O)N(C)C,0,1,0,0
O=C1CCC2(Cc3ccccc3)Cc3cc(O)ccc3C2=C1c1ccc(O)cc1,0,0,0,0
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
Cc1cccc(-n2c(O)c(C=Nc3ccc(Br)cn3)c(=O)[nH]c2=O)c1,0,0,0,0
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C(C)(C)C)cc1,0,0,0,0
CCN1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1=O,0,0,0,0
CCc1nc2n(c1C(=O)N(CC1CC1)CC1CC1)CCN2c1c(C)cc(C)cc1C,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1C#N,0,0,0,0
COc1cc2c(cc1OC)CN1CCc3cc(OC)c(OC)cc3C1C2,0,0,0,1
CCC1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1=O,1,0,0,0
COc1cccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1,0,0,0,0
CC(NC=C1C=CC=C(O)C1=O)c1ccccc1,0,0,0,0
CC(C)Cc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F,0,0,0,0
O=C(c1ccc(C(F)(F)F)cc1-n1nccn1)N1CC[C@H]1c1nc(-c2ccccc2OC(F)(F)F)n[nH]1,0,0,0,0
Cc1cc(-c2ccc(OCC(C)(C)C(=O)O)nc2)ccc1-c1ncc(C2(C(F)(F)F)CCC2)[nH]1,0,0,0,0
CCOC(=O)c1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,1,0,0,0
O=C1CN(C(=O)CNCc2ccc(Cl)cc2)c2ccccc2N1,0,0,0,0
O=C(OC1CCOC1=O)c1ccc(-c2nc3ccccc3s2)s1,0,1,0,0
COc1cc(C=NN=C2SC(CC(=O)O)C(=O)N2c2ccc(O)cc2)ccc1O,0,0,0,0
Cc1ccc(NC(=O)O/N=C/c2ccc(F)cc2)cc1,0,1,0,0
COc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccccc2Cl)cc1OC,0,0,0,0
CCCCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1,0,0,0,0
Cc1ccc(-c2onc3ccc(C(=O)O)cc23)cc1,0,1,0,0
CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(C(=O)O)CO4)no2)cc1Cl,0,0,0,0
Cc1cccn2c(=O)c(C=O)c(NCc3ccccc3)nc12,0,0,0,0
COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2ccco2)cc1,1,0,0,0
CCc1ccc(OCCOCC(O)CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1,1,0,0,0
COc1ccc(-n2nc3c(=O)[nH]c4ncccc4n3c2=O)cc1,0,0,0,0
Cc1ccc2cc3c(nc2c1)N(c1ccccc1)CC3,0,0,0,0
CNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0,0,0,0
Brc1ccc(-c2c(-c3ccsc3)sc3ccccc23)cn1,0,0,0,0
O=S(=O)(c1cccc(-c2csc(NN=Cc3ccco3)n2)c1)N1CCOCC1,0,0,0,0
C=CCN1C(=O)NC(=O)C(C(C)=NN2CCCCC2)C1=O,0,0,0,0
COc1cccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1,0,0,0,0
CN(C)C1(c2ccccc2)CCC(NCCc2ccccc2)CC1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](NC=O)NC1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
CCSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O,0,0,0,0
CCCNC(=O)NC(=O)CSc1nc(C)cs1,0,0,0,0
CSc1nc(-c2ccc(F)cc2)nc2c1Cc1c(CO)cnc(C)c1O2,0,0,0,0
NS(=O)(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
O=C(c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,0,0,0,0
Cl.OCCNc1nc(Nc2ccc(Br)cc2)nc2ccccc12,0,1,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C(C)=O)cc3)CC2)n[nH]1,0,0,0,0
CCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1,1,0,0,0
Cc1cccc(Nc2ncnc3cnc(N)nc23)c1,0,0,0,0
CCOc1ccccc1-n1c(SCC(N)=O)nc2ccccc2c1=O,0,0,0,0
c1cncc(CSc2nnc3ccc(-c4cccs4)nn23)c1,1,0,0,0
COc1ccc(C2CC(c3ccccc3)Oc3cc(C)cc(C)c32)cc1,0,0,0,0
CC1(C)Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1,0,0,0,0
CO/C(O)=C1\C(C)=Nc2ncnn2C1c1ccc(OCc2ccccc2)cc1,1,0,0,0
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,0,0,0,0
COc1ccccc1N1C(=O)NC(=O)C(CCc2ccncc2)(CCc2ccncc2)C1=O,0,0,0,0
O=C1CCCC2=C1C(c1ccc(Cl)cc1)n1c(s/c(=C\c3ccc4ccncc4c3)c1=O)=N2,0,0,0,0
COc1cccc(CN(Cc2ccco2)C(c2ccc(F)cc2)c2nnnn2C(C)(C)C)c1,0,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(C(F)(F)F)n3)cc2F)cn1,0,0,0,0
CN1CCc2nc(SCC(=O)Nc3ccc(F)cc3)c(C#N)cc2C1,1,0,0,0
Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC2CCCCC2)s1,0,0,0,0
Cc1ccc(NC(=S)NN(C)c2nc(C)cnc2C)cc1,0,0,0,0
O=C(C1=C[C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3[C@@H](C(=O)c3ccc(Cl)cc3)N2C=C1)c1ccccc1,1,0,0,0
CN1CCN(c2ncc3ncc(=O)n(C4CC4)c3n2)CC1,0,0,0,0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0,0,0,1
O=C(c1ccco1)N1CCN(C(c2ccc(F)cc2)c2nnnn2Cc2cccs2)CC1,1,0,0,0
CCCCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-],0,0,0,0
C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)Cc1ccc(O)c(O)c1,0,0,0,0
CC(C)N(Cc1ccccc1)C(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21,1,0,0,0
CCCc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)c(CO)c2)n1,0,0,0,0
CC1(C)NC(=O)N(CCOc2cccc(Oc3ccccc3)c2)C1=O,1,0,0,0
COc1ccc([C@@H]2CC[C@H](OCCCc3cccnc3)O2)cc1OC,0,0,0,0
COc1ccc2c(c1)OCC1C2N2C(=O)c3cc(OC)c(OC)cc3NC(=O)C2(C)C1c1ccccc1,1,0,0,0
O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(OC(F)(F)F)cc3)ccc21,0,0,0,0
O=C(c1c(F)cccc1F)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1,0,0,0,0
Clc1ccc(COC2c3cc(Cl)ccc3SC2Cn2ccnc2)c(Cl)c1,0,0,0,0
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1c(OC)ccc2ccccc12,0,0,0,0
N#Cc1c(-c2ccccc2)nc2n(c1=O)CCS2,0,0,0,0
CSc1nc(=O)n2cc(C)ccc2n1,0,0,0,0
CN(C)C(=O)NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,0,0,0,0
CC(=O)OCC1C(C)C2=C3C(CCC4C(OCc5ccc(F)cc5C(F)(F)F)OCC(C)(C34)N(C(=O)OC(C)(C)C)C2)C1COC(C)=O,1,0,0,0
Cn1cc(-c2cnc(N)c(-c3nc4cccc(-c5ccccn5)c4o3)c2)cn1,0,0,0,0
CN1C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)C1(CO)c1cccs1,0,0,0,0
CCCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4CC)cc3o2)cc1,0,0,0,0
CC1CCN(c2nc(-c3ccco3)c3c(c2C#N)CC(C)(C)OC3)CC1,1,0,0,0
CC1OC(OC2C(CO)OC(OCC3OC(OC(=O)C45CCC(C)(C)CC4C4=CCC6C7(C)CC(O)C(O)C(C)(CO)C7C(O)CC6(C)C4(C)CC5)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,0,0,1,0
COc1cccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)c1,1,0,0,0
Cc1ccc(-c2csc(N(CCO)CCCn3c(C(F)(F)F)nc4ccccc43)n2)cc1,0,0,0,0
CCc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1,0,0,0,0
O=C1CSC(=O)N1CCCCCCCCNCC1CCc2ccccc2O1,0,0,0,0
COC(=O)c1ccc(/C=C(\C#N)c2ccccn2)cc1,0,1,0,0
CN(c1ccc(Cl)c(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,0,0,0,0
CN1CCN(C2=Nc3ccc(Cl)cc3Oc3cc(F)ccc32)CC1,0,0,0,0
Oc1c(Br)cc(Br)cc1CNc1cnc2ccccc2c1,0,0,0,0
COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(C)cc34)c(F)n2)c(OC)n1,0,0,0,0
Cn1cc(-c2cnc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)cn1,0,0,0,1
CN(C)c1nc2ccccc2c(N)c1-c1ccccc1.O=C(O)C(=O)O,0,0,0,0
C#CCCn1c(NN(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C#N)cc1)CC2,0,0,0,0
CCC1(CCSC(=N)N)C(=O)NC(=O)NC1=O,0,0,0,0
Cc1ccc(O)c(-c2cc3ccccc3[nH]2)c1,0,1,0,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(C(=O)OC)cc(C(=O)OC)c2)CC1,1,0,0,0
Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)c1,1,1,0,0
COc1ccc(CCNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,1,0,0,0
[C-]#[N+]C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N[C@H]1c1ccc(C#N)cc1S(=O)(=O)c1ccccc1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6c(c5)cc(C)n6C)c4)CC3)CC2)CC1,0,0,0,0
CC(C)c1nn(-c2ccccc2)c(=S)[nH]1,0,0,0,0
Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)O)c(OC4CCCCC4)c3)cc2)cn1,0,0,0,0
CC(C)c1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1,0,1,0,0
CS(=O)(=O)NCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,0,0,0,0
Nc1ccc2c(c1)-c1c(c(C(=O)N3CCOCC3)nn1-c1ccccc1)CS2(=O)=O,0,0,0,1
CCCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1,0,0,0,0
Cc1c(C(=O)c2ccc(Cl)cc2)c2ccc(OC(F)(F)F)cc2n1Cc1cccc(O[C@H](C(=O)O)C(C)C)c1,0,0,0,0
O=c1cc(-c2cccc(F)c2)[nH]c2ccccc12,0,0,0,0
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C=NNC(=O)CNc1cccc(C(F)(F)F)c1,1,0,0,0
Cn1ccc(-c2cnc3[nH]c4cnc(C#N)cc4c3c2)n1,0,0,0,0
COc1ccc(-c2cc(C)nc(SCc3cccc(C(=O)O)c3)n2)cc1,0,0,0,0
COc1ccc(C=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,1,0,0,0
Cc1c(CC2=NN(Cc3ccc(F)cc3F)C(=O)CC2)c2cc(F)ccc2n1CC(=O)O,0,0,0,0
CN(C)C(CNS(=O)(=O)c1ccc(F)cc1)c1cccnc1,0,0,0,0
CCC(C)NC(=O)COC(=O)c1csc2c1CCCC2,0,0,0,0
O=C(O)CCn1c(=O)n(Cc2cccc3ccccc23)c2ccccc21,0,0,0,0
COc1ccc(-c2c(C)c3c(n2-c2ccccc2C)CCN(N2CCCCC2)C3=O)cc1,0,0,0,0
C1OC1C1CO1,0,0,1,0
CC(C)(C)c1[nH]nc2c1C(c1cccc3c1OCO3)N(c1ccc(-c3ccon3)cc1)C2=O,0,0,0,0
CCOc1ccc(N2C(=O)C3Sc4[nH]c(=O)sc4C(c4ccc(OC)c(OC)c4)C3C2=O)cc1,0,0,0,0
CN(CCOc1ccccc1)CC(O)COc1ccccc1,0,0,0,0
CCc1cnc(N2CCC(C(C)COC(=O)N3CCc4cc(S(C)(=O)=O)cc(F)c43)CC2)nc1,0,0,0,0
CC(C)Cc1nc2oc3c(NCCCN4CCOCC4)ncnc3c2c2c1CCC2,0,0,0,0
O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCCO,0,0,0,0
O=C(O)CCc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
Cc1ccsc1CN1CCc2nc(N3CCN(c4ccccc4F)CC3)ncc2C1,0,0,0,0
COc1ccc(C2CC3CN(Cc4ccccc4OC)C(=O)C34CCCN24)cc1C,0,0,0,0
O=C(c1ccc(Cl)s1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1,1,0,0,0
CCC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)coc2c1,1,0,0,0
O=P(O)(O)C(Nc1cncc(-c2ccccc2)c1)P(=O)(O)O,0,0,0,0
COc1ccc(NC(=O)Nc2cc(C)ccn2)cc1,0,1,0,0
CC1C=CC(C)C(C(=O)O)C1C(=O)O,0,0,0,1
CCOc1cc(C(O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ncc1C#N,0,0,0,0
CN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1,0,0,0,0
NC(=O)c1cc2cc(Br)ccc2oc1=NCc1ccccc1,0,0,0,0
Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4Br)CC3)n2)ccc1F,0,0,0,0
O=C(O)C=CC(=O)Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(C#N)c1,0,0,0,0
CC(C)(C)C(=O)NC(NC(=S)Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl,1,0,0,0
Cc1nc2nc(-c3ccccc3)[nH]n2c(=O)c1C,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1C,1,0,0,0
CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2ccccn2)C1,0,0,0,0
COC(=O)c1ccc(CN2CCN(CC=C(C)C)C(CCO)C2)cc1,0,1,0,0
COc1cc(OC)cc(-c2cc3nc4c(c(N5CCN(c6ncccn6)CC5)n3n2)CCCC4)c1,0,0,0,0
CC(C)OC(=O)C1=CN(C(=O)c2cccc(OCCN3CCOCC3)c2)CC(C)(C)c2c1[nH]c1ccccc21,0,0,0,0
Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1,0,0,0,0
CCOc1ccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)cc1,1,0,0,0
CCCCCCCC1CCC(OCCCn2c(C)nc3cnccc32)O1,0,0,0,0
CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1,1,0,0,0
CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1,0,0,1,0
O=C(COC(=O)c1cccs1)c1ccc2ccccc2c1,0,1,0,0
CN1CCN(c2ccc(-n3cc(-c4ccncc4OCC4CCC(N)CC4)cn3)cc2)CC1,0,0,0,0
CCC(Nc1ncnc2nc[nH]c12)C(=O)O,0,0,0,0
O=C(c1ccccc1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1,0,0,0,0
O=C(O)c1cc(-c2ccc(-c3ccc(Cl)cc3Cl)cc2)n(-c2ccccn2)n1,0,0,0,0
CCOc1cc2[nH]c(=S)n(C3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OCC,0,0,0,0
Cc1ccc(OCCNCCCSc2ccccc2)cc1,0,0,0,0
N#Cc1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)ccc1F,0,0,0,0
O=C1CC(c2ccc3c(c2)OCO3)C2=C(CCCC2=O)N1,0,0,0,0
O=C(O)CN1C(=O)[C@@H](N[C@@H](CSCc2ccccc2)C(=O)O)CCc2ccccc21,0,0,0,0
CS(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
CC(C)(COc1ncc(-c2ccc(-c3ncc(C4(C(F)(F)F)CCC4)[nH]3)cc2)cc1F)C(=O)O,0,0,0,0
COc1cc2cncc(Cc3ccc4c(c3)CCN4C)c2cc1OC,0,0,0,0
Cc1cccc2c1OP(=O)(OC[C@H](CO)OCn1cnc3c(O)nc(N)nc31)OC2,0,0,1,0
O=C(CCl)N(Cc1ccccc1)c1ccccc1,0,0,0,0
O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1c2ccccc2cc2ccccc12,1,0,0,0
CC(C)[C@H]1NC(=O)c2cc(cc(NC(=O)CCCCCNC(=O)c3ccc(CN(CCSC(c4ccccc4)(c4ccccc4)c4ccccc4)CC(=O)NCCSC(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2)CNC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)N(C)C1=O,0,0,0,0
Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1NC1=NC2CS(=O)(=O)CC2S1,0,0,0,0
Cc1ccc(O)c(C2=NNC(O)(C(F)(F)F)C2)c1,0,0,0,0
Cc1[nH]c2ccccc2c1C(C)Nc1ccccc1,0,0,1,0
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cn1)N(c1cccc(Cl)c1F)C2=O,0,0,0,0
COc1ccc(OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1,0,1,0,0
CCCCN(C(=O)C(C)C)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1,0,0,0,0
Cc1cc2c(c(=O)n1Cc1cccnc1)C(Cc1ccccc1)C(C#N)=C(N)O2,0,0,0,0
CC(C)CCCC(C)CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
CC(C)N(C(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1)C(C)C,0,0,0,0
CCOCc1ccc2c(c1)c1c3c(c4c5cc(COCC)ccc5n5c4c1n2C1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,0,0,0,0
Cc1sc2[nH]cnc(=O)c2c1-c1ccc(F)cc1,0,0,0,0
CCN(CC)Cc1c(O)c(Cl)cc2c3c(c(=O)oc12)CCCC3,0,0,0,0
NC(=O)N1CCCc2cc(-c3cncc(-c4cnn(CCN5CCOCC5)c4)c3)cnc21,0,0,0,0
CCc1nn2cc(-c3nc4ccc(Cl)cc4o3)nc2s1,0,0,0,0
Cn1cc(-c2nc(N[C@@H]3CCCC[C@@H]3N)c(F)c3c2C(=O)NC3)cn1,0,0,0,1
COc1ccc(Cc2nc(-c3ccc(Br)cc3)no2)cc1,0,0,0,0
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccccc2)CSSC[C@@H](C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(N)=O)NC1=O,0,0,0,1
Cn1nnnc1SCCNCc1ccc(Cl)c(Cl)c1,0,0,0,0
COc1ccc2nc(NC(=N)NS(C)(=O)=O)nc(C)c2c1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1ccc(I)cc1,0,0,0,0
Nc1sc2c(c1C(=O)c1ccc(Cl)c(Cl)c1)CCN(CCCCCOc1ccc(Nc3ncnc4c3ncn4[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc1)C2,0,0,0,0
COc1ccc(CCN(C)C(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2OC)cc1OC,1,0,0,0
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1cccs1,0,1,0,0
CC(C)(C)C(=O)Nc1ccccc1C(=O)N1CCCC1,0,0,0,0
Cc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,0,0,0,0
c1ccc(C2C[C@@H]2NCc2cccnc2)cc1,0,0,0,0
CCN1CCOc2cc(COc3ccccc3)cnc21,0,0,0,0
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc(-c5ccsc5)cc4)c23)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CCOC(=O)c1cc2ccc3ccccc3c2oc1=O,0,0,0,0
CN1CCC(CCc2cn(C)c3ccccc23)CC1,0,0,0,0
CC1CC2=C(C(=O)O1)C(C)Nc1ccccc1N2,0,0,0,0
COc1cc(OC)cc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(O)c2)c1,1,0,0,0
CN1CCN(c2nc3sc4c(NCCN5CCOCC5)ncnc4c3c3c2CCC(C)(C)C3)CC1,0,0,0,0
CC(C)N1CCN(Cc2ccc(C#CC(C)(C)O)cc2)CC1CCO,0,0,0,0
O=C(c1ccccc1Sc1ccccc1[N+](=O)[O-])N1CCCCC1,1,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCCCO)c(C(=O)O)c2)c1,0,0,0,0
Cc1[nH]n(-c2ccccc2)c(=O)c1C=NCC1CCCO1,0,0,0,0
C[C@H](Cc1cc(O)c(O)cc1Br)[C@@H](C)Cc1cc(O)c(O)cc1Br,0,0,0,0
CCCCc1nc2ccn(Cc3ccccc3Br)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
Cn1cc(C(=O)N2CCOCC2)c2ccccc21,0,0,0,0
CN=C(NC#N)NCCSCc1csc(N=C(N)N)n1,0,0,0,0
CCOc1ccc(-c2cc(OC(=O)c3ccccc3)c3c(C)oc(C)c3c(=O)c2)cc1,0,0,0,0
CN(CCCCCc1ccccc1)CCCc1ccccc1,0,0,0,0
COc1ccc(OC)c(Nc2nc3ncccc3nc2NS(=O)(=O)c2ccccc2)c1,0,0,0,0
COc1ccc2c(OCc3nnc4ccc(-c5ccc6c(c5)CN(C)C6=O)nn34)ccnc2c1,0,0,0,0
CCC1(c2ccc(F)c(F)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
CC(=NNc1ccc(C(=O)c2c(C)cc3ccccn23)cc1[N+](=O)[O-])c1ccc(O)cc1,0,0,0,0
O=C(ON1C(=O)CCC1=O)N1C[C@@H]2C(c3ccn(-c4ccc(F)cc4)n3)[C@@H]2C1,0,0,1,0
Brc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
CCCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0,0,0
COc1ccc(CCn2c(C)c(C(C)=O)c3cc(OC(=O)c4ccco4)ccc32)cc1OC,1,0,0,0
CS(=O)(=O)Nc1nnc(Cc2ccccc2)s1,0,0,0,0
N#Cc1ccc(C(c2ccc(OS(N)(=O)=O)c(Cl)c2)n2cncn2)cc1,0,0,0,0
CCCc1c(C)[nH]c(N2CCN(c3ccccc3OC)CC2)nc1=O,0,0,0,0
CC1CC2(C)Oc3ccccc3CC2C(C)C1CNCCCN(C)C,1,0,0,0
CCCn1c(=O)n(CCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c(=O)c2[nH]c(C3CCCC3)nc21,0,0,0,0
CCn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)n1,0,0,0,0
CC(C)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1,0,0,0,0
Nc1ccc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)cn1,0,0,0,0
COc1ccc(C2C=CCN(C(=O)c3ccc(C)cc3)C(Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1,0,0,0,0
N=C(N)c1ccc(Oc2cc(NS(=O)(=O)c3ccc(F)cc3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,0,0,0,0
CC(C)C(=O)N1CCN(CCN=CC2=C(O)CC(c3ccco3)CC2=O)CC1,0,0,0,0
C#CCCNc1nc(Cl)cn(Cc2ccccc2)c1=O,0,0,0,0
CCOC(=O)C(Cc1c(F)cccc1Cl)c1ccno1,0,0,0,0
COc1ccc(S(=O)(=O)c2ccc(F)cc2)c(Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)c1,0,0,0,0
CC1CCc2c(sc(/N=C/N(C)C)c2C#N)C1,0,1,0,0
O=C(Cc1ccc(CCCCc2ccccc2C(F)(F)F)cc1)NO,0,0,0,0
CC(Cc1coc2nc(N)nc(N)c12)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0,0,0,0
C=CCn1c(Oc2cccc(C)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
COC(=O)C[C@H]1C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N(CC2CC2)C1=O,0,0,0,0
Cc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1,0,0,0,0
O=C(NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21)C(F)(F)F,0,0,0,0
Cc1sc(NC(=O)c2cccs2)nc1-c1ccccc1,0,1,0,0
CC(=NN1CCCCC1)C1C(=O)NC(=O)NC1=O,0,0,0,0
CCOC(=O)C(C)n1nc(/C=C/c2ccccc2)ccc1=O,0,0,0,0
Cc1c(CNC2CCCCCC2)c(C(=O)O)c(C)n1Cc1c(F)cccc1Cl,0,0,0,0
c1cc(CN2CCOCC2)ncc1CN1CCOCC1,0,0,0,0
Cc1ccccc1CN1C(=O)c2ccccc2S(=O)(=O)c2ccc(C(=O)OCC3CCCO3)cc21,0,0,0,0
NC(=O)c1nn(-c2ccc(/C=C3\CCOC3=O)cc2)c2c1CCc1ccc(NC(=O)c3ccccc3Cl)cc1-2,0,0,0,0
O=c1[nH]ccc2c(S(=O)(=O)N3CCCNCC3)cccc12,1,0,0,0
C=c1cccc/c1=C1/NC(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)=NO1,1,0,0,0
COc1cc(C(CCN2CCCC2)c2c(OC)cc(OC)c3c(-c4ccccc4)cc(=O)oc23)cc(OC)c1OC,1,0,0,0
CN1C(=O)c2[nH]c(CC3CCCC3)nc2N2CC3(CCCC3)N=C12,0,0,0,0
COc1ccc(OC)c(-c2nc3c(C#N)c[nH]n3c2NC2CCCCC2)c1,1,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(C#N)=C/c3ccc(N(C)C)cc3)c2)n1,0,0,1,0
CCOC(=O)c1coc(NC2CCC(Nc3cc(-c4cccc(NCc5cccc(F)c5)n4)c(Cl)cn3)CC2)n1,0,0,0,0
O=C1CCN(Cc2ccccc2)CC1C(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
CC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,0,0,0,0
CN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2F)CC1,0,0,0,0
CC(=O)N1CCC(Cn2c(C(C)(C)C)nc3cc(S(=O)(=O)c4nccs4)ccc32)CC1,0,0,0,0
Cc1cc(N2CCCC2)c(F)cc1C=C[N+](=O)[O-],0,0,0,0
CCCC(=O)Nc1nc(-c2ccc(Cl)s2)cs1,0,0,0,0
CN1CCN(C(=O)c2cc(-c3cnc(Oc4ccccc4)nc3)n[nH]2)CC1,0,0,0,0
O=[N+]([O-])c1ccc(COc2ccc(CNc3ccccc3)cc2)cc1,0,0,0,0
CCC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1,0,0,0,0
COc1cc(CN(Cc2ccc3c(c2)CCO3)CC(C)C)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
Clc1cccc(C2NCc3ccccc3-n3cccc32)c1,0,0,0,0
COc1ccccc1OCCOCCN1CCCC1,0,0,0,0
CN1CC(C2=NCCN2)Oc2ccccc21,0,0,0,0
COc1ccc(-c2cc(=O)[nH]c(=S)n2CCN)c(OC)c1,0,0,1,0
Clc1cccc(Nc2ncnc3[nH]c(-c4ccccc4)c(-c4ccccc4)c23)c1,0,0,0,0
Cc1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1,1,0,0,0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1Cl,0,0,1,0
COc1cccc(C(=O)NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1,1,0,0,0
Cc1nnc(NC(=O)c2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)s1,0,1,0,0
CCCNc1ncnc2c1cnn2CC(Br)c1ccccc1,0,0,0,0
CSc1nn2c(C)c(Oc3cccnc3)c(C)nc2c1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1ccc2c(c1)-c1c(ccn1CC(C)N)C2,0,0,0,0
Cc1nc2ccccc2c(=O)n1CCc1ccc(O)cc1,0,0,0,0
Cc1ccc2c3c(c4c(nc13)CCCC4)NNC2=O,0,0,0,0
CCn1c(=O)cc(SCC(=O)N2CCN(C3CCCCC3)CC2)c2ccccc21,1,0,0,0
Cc1nc2cccc(-c3cc(C(N)=O)[nH]n3)c2nc1NC(C)(C)C,0,0,0,0
CC(=O)c1c(C)nc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
CCN(CC)CCCN1C(=O)Nc2ccccc2C1c1ccccc1,0,0,0,0
OCC(CO)Nc1nc(SCc2cccc(F)c2F)nc2nc(NC3CC3)sc12,0,0,0,0
Cc1cc(=O)n2nc(N3C[C@H](CN)[C@@H](c4cc(F)ccc4F)CC3=O)ccc2n1,0,0,0,0
CCN(C)CCc1c(-c2cccc(C(F)(F)F)c2)[nH]c2ccccc12,0,0,0,0
CNc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21,0,0,0,0
O=C(CSc1nc(-c2ccccc2F)nc2nc[nH]c12)Nc1c(Cl)cc(Cl)cc1Cl,1,0,0,0
C=CCn1c(SCC(C)=O)nnc1-c1ccc2ncccc2c1,0,0,0,0
CC(C)(CF)c1ccc(Nc2nn([C@@H]3CC[C@@H](O)C[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
Cc1cc(C)c(-c2nc3ccc(C(N)=O)cc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
O=C1OC2(CCC(C(=O)Nc3cc(-c4ccccc4)[nH]n3)CC2)c2cccnc21,0,0,0,0
O=S(=O)(c1ccccc1)C1(c2ccccc2)CC2ON=C(c3cccc(-c4ccccc4)c3)C2C1,0,0,0,0
CN(C)c1ccc2c(c1)OC1=CC(=[N+](C)C)C=CC1C2c1ccc(C(=O)NCCCC[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc(N=[N+]=[N-])cc2)NC(=O)CCCCCNC(=O)C2(Cc3cccc(Nc4nccs4)n3)CCC(Oc3cccc(Cl)c3F)CC2)C(N)=O)cc1C(=O)O,0,0,0,0
Cc1cccc(C(N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1,0,0,0,0
CC(C)[C@H]1CN(C[C@H](O)CO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1,0,0,0,0
NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,0,0,0,0
Cc1ccc(C2=C(C#N)C(=O)NC(c3ccc(OCCCc4ccccc4)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(-n4cccn4)cc3)cc2s1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(C(C)C)cc2)nc2ccc(Cl)cc12,0,0,1,0
COc1ccc(OCCCCOc2ccccc2Cl)cc1,0,0,0,0
c1ccc(-c2cn3nc(C4CC4)nc3nc2-c2ccc(CN3CC(c4nc(-c5ccccn5)n[nH]4)C3)cc2)cc1,0,0,0,0
Cc1ccccc1NC=C1C=CC=C(O)C1=O,0,0,0,0
O=C(COC(=O)C=Cc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,1,0,0,0
CCCOc1c(-c2cccc(OCc3ccc4ccccc4n3)c2)oc2c(C(=O)O)cc(Br)cc2c1=O,0,0,0,0
Cc1cccc(-n2cc(CN3CCN(c4ccccn4)CC3)c(-c3cccc(F)c3)n2)c1,0,0,0,0
CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12,0,0,0,0
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCOC(CO)COC(=O)CCCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,0,0,0,0
O=C1NC[C@@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)N1,0,0,0,0
O=C1COc2ccc(C3(O)c4ccccc4C(=O)N3Cc3cccc(Cl)c3)cc2N1,0,0,0,0
Cc1ccc(OC(=O)c2ccc3nc(C)sc3c2)cc1,0,1,0,0
COc1ccc([N+](=O)[O-])cc1NCc1ccccc1C,0,0,0,0
Cc1cc(-c2n[nH]c(=S)o2)c(C)n1-c1ccccc1,0,1,0,0
CCC(O)(CC)[C@H](C)Oc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1,0,0,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C1CCCCC1,1,0,0,0
Cc1[nH]cnc1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,0,0,0,0
C[C@H](Nc1nc(Cl)cc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2cnn(C)c2)cc1F,0,0,0,0
Cc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)c(C)c1,0,0,0,0
CCOc1cc(C#N)cnc1Nc1cccc(C)n1,0,0,0,0
COc1ccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)cc1,0,0,0,0
CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O,0,0,0,0
Cc1nc(-c2nc(C(=O)NCCCCC(=O)NO)cs2)cs1,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(NCc4ccccc4N4CCCCC4)nc23)[nH]1,0,0,0,0
COC(=O)C1CC[C@@H](C#N)C(n2cc(C(N)=O)c(Nc3ccccc3)n2)C1,0,0,0,0
COc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1,0,0,0,0
CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1ccnn1C1CCC1,0,0,0,0
CC(C)Cn1c(N)c(C(=O)COC(=O)c2cnccn2)c(=O)n(C)c1=O,0,0,0,0
CC(C)(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
CCOCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1,0,0,0,1
c1ccc(-n2cc(CN3CCN(c4ncccn4)CC3)cn2)cc1,0,0,0,0
C[C@H](Nc1nccc(N(CC2CCN(C(N)=O)CC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1,0,0,0,0
FC(F)(F)c1cccc(Sc2ccc3nnc(C4CC4)n3n2)c1,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3cccc(Cl)c3)cc2)CCOCC1,0,0,0,1
Cc1ccc(SCCCCN2CCOCC2)cc1,0,0,0,0
CCCc1c(C)[nH]c(N2CCN(c3ccccc3F)CC2)nc1=O,0,0,0,0
CCOC(=O)c1cn2nc(Oc3ccc(C#N)cc3)ccc2n1,0,0,0,0
CCC(COC)NCc1cn(-c2ccc(OC)cc2)nc1-c1cccc(F)c1,1,0,0,0
O=C1CC(c2ccco2)Sc2ccccc2N1,0,0,0,0
O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCCNc4c5c(nc6ccccc46)CCCC5)CC3)cccc21,0,0,0,0
COCCN1CCC(n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1,0,0,0,0
Cc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1,0,0,0,0
Nc1ccccc1C(=O)N1CCCC1,1,0,0,0
CCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0,0,0
CC(=O)Nc1cccc(NC(=S)Nc2cccc3ccccc23)c1,0,0,0,0
Cc1ccc(C(=O)Oc2cc(OC(=O)c3ccc(C)cc3)cc(C(O)CNC(C)(C)C)c2)cc1,0,0,0,0
CCOc1cc(S(=O)(=O)NCCc2ccccc2C)c(OCC)cc1-n1cnnn1,1,0,0,0
O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1,0,1,0,0
COC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,0,0,0,0
c1cc2c3cnc(Nc4ccc(N5CCOCC5)nn4)nc3n(C3CCCC3)c2cn1,0,0,0,0
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccccc1SCc1c(C)noc1C,1,0,0,0
O=C(NC(=O)c1ccccc1)Nc1ccccc1,0,0,0,1
CCC(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)CC)ccc1-2,0,0,0,0
OC(COc1cccc(-c2csc3ccccc23)c1)CN1CCc2ccccc2C1,0,0,0,0
COc1ccc(C2C(C(=O)OCC3CCCO3)=C(C)NC3=C2C(=O)CC(c2ccco2)C3)cc1O,0,0,0,0
Oc1cc(O)c2cc(-c3cc(I)c(O)c4ncccc34)oc2c1,0,0,0,0
CC(C)N(C)C/C=C/C(=O)N1CCc2sc3ncnc(Nc4ccc(Cl)c(Cl)c4)c3c2C1,0,0,0,0
NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1,0,0,0,0
COCc1cc(-c2nn(C)c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N,0,0,0,0
CCOC(=O)c1cnc2cc(-c3ccc(C)cc3)nn2c1-c1ccccc1,0,0,0,0
Cc1cccn2c(=O)c(CN=O)c(NCc3ccccc3)nc12,0,0,0,0
CNc1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12,0,0,0,0
Clc1ccccc1CN1CCN(Cc2ccccc2)CC1,0,0,0,0
CN(C)c1ccc(C(=O)N/N=C/c2ccccn2)cc1,0,1,0,0
CC(C)(C)n1nnnc1C(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)Cc1ccco1,0,0,0,0
Cc1cccc(NC(=O)Nc2ccccc2)n1,0,1,0,0
Cc1nn(C(=O)c2c(-c3ccccc3)noc2C)c(C)c1N=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
Cc1nc(-c2ccc(S(=O)(=O)Oc3ccccc3Cl)s2)cs1,0,0,0,0
CN(C)c1cccc2c(S(=O)(=O)Nc3cnccn3)cccc12,0,0,0,0
Cc1ccc(-c2cnc(C3(NCc4ccc(-c5ccccc5)cc4)CCCC3)[nH]2)cc1,0,0,0,0
O=C(CN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCCCN1CCOCC1,1,0,0,0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(Br)cc2)cc1,0,0,0,0
CC(NC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(C(F)F)c12)C(F)F,0,0,0,0
COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,0,0,0,0
c1cc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)cnn1,0,0,0,0
Clc1cccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)c1,0,0,0,0
Nc1cc2c(cc1Br)-c1ccc(F)cc1C2O,0,0,0,0
CC(=O)N1CCN=C1SCc1ccccc1F,1,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)CC1,0,0,0,0
CC(=O)c1sc(NC(=O)C(C)C)nc1C,0,0,0,0
O=C(O)CNCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
Cc1cc(=O)n2[nH]c(-c3ccc(F)cc3)nc2n1,0,1,0,0
CCCS(=O)(=O)N1CCN(Cc2ccco2)CC1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3c(F)cc(F)cc3F)C2)nc(C)c1F,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2C(=O)NO)cc1,0,0,0,1
O=C(/C=C/c1cccn(CCCc2cccnc2)c1=O)NO,0,0,0,1
CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CCO)c3n2)cc1,0,0,0,0
CCN(CC)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
CC(=O)N1CCOc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc21,0,0,0,0
C[C@H](Nc1nc(N)nc(NCCOc2ccccc2)n1)c1ccccc1,0,0,0,1
O=C1C(=O)N(C2CCN(C(=O)c3ccc(F)cc3)CC2)CCN1Cc1ccc(F)cc1,0,0,0,0
O=S(=O)(NCCc1ccccc1)c1ccc(Br)s1,0,0,0,0
Nn1c(SCc2ccccc2F)nnc1-c1cccnc1,0,0,0,0
COc1ccc(S(N)(=O)=O)cc1C(=O)OCCCOc1ccc(F)cc1,0,0,0,0
COc1cc(C)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1,0,0,0,0
COc1ccc(CNc2c(CO)cnc3c(N4CCOCC4)cc(C#N)cc23)cc1Cl,0,0,0,0
CC(C)NC(=O)c1nc(Nc2ccccc2Cl)nc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-],0,0,0,0
Nc1nc2n(n1)C(=O)CC(c1ccccc1)N2,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(-c2ccccc2)cc1,0,0,0,0
CC(C)OC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,1,0,0,0
CCN(CCn1cccn1)Cc1nc(-c2cc(OC)ccc2OC)oc1C,0,0,0,0
CCc1ccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)cc1,0,0,0,0
CCc1nc2nc(C)cc(Nc3ccc(F)c(Cl)c3)n2n1,0,0,0,0
COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1Br,0,0,0,0
C=CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1,0,0,0,0
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(OC(F)F)c3)c(F)cc1O[C@H]1CCOC[C@@H]12,0,0,0,0
CC(C)(C)C1CCC(=NNc2nc3ccccc3[nH]2)CC1,0,1,0,0
CCc1nc2nc(C)cc(Nc3cc(Cl)ccc3OC)n2n1,0,0,0,0
COc1cc(OCc2cccc(-c3cnn(C)c3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CC(C)(C)OC(=O)NCC1CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
Cc1ccc(C)c(Nc2nc3ccc(C)cc3n3cnnc23)c1,0,0,0,0
COC(=O)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,0,0,0,0
NS(=O)(=O)c1ccc(-c2nc(NCc3ccsc3)cc(C(F)(F)F)n2)cc1,0,0,0,0
CC(C)(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)CCO,0,0,0,0
CCC[C@H](N)C(=O)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,0,0,0,1
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCN)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1cc(C)c(CNC2CCCCC2)cc1C,0,0,0,0
O=C1N(CC2CCCCC2)c2ccccc2C12CCN(CC1CCCCCCC1)CC2,0,0,0,0
O=CN1CCN(C(=O)c2ccc(Br)o2)CC1,0,0,0,0
CN1C(=O)C(C2CCCCC2)(C2CCCCC2)N=C1N,0,0,0,0
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2)CC1,0,0,1,0
COc1ccc(Cc2nc(-c3cccnc3)no2)cc1OC,0,0,0,0
C[C@]12CCC(=O)C=C1C[C@@H](Sc1ccc3ccccc3c1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
c1ccc(C(c2ccccc2)c2ccncc2)cc1,0,0,0,0
O=C(C1=CC(c2ccccc2)CC(OCCCCO)O1)N1CCN(Cc2ccccc2)CC1,1,0,0,0
CC1CC(=O)NN=C1c1ccc(OCCCN2CCCCC2)cc1,0,0,0,0
Oc1cccc(-c2cc(NCc3ccccn3)nc(N3CCOCC3)n2)c1,0,0,0,0
COc1ccc(CCNc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,1,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CC5)c(OC)c4)nn32)CC1,0,0,1,0
CCCC(=O)Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2,0,0,0,0
Cc1cc(C)n(CCc2nc3c4ccccc4nc(N4CCN(c5cccc(C)c5C)CC4)n3n2)n1,0,0,0,0
O=S(=O)(c1cccc2c(S(=O)(=O)N3CCCC3)cccc12)N1CCCC1,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2cc(F)c(F)cc2o1,0,0,0,1
CN(C)C(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CC(=O)OC1C(CO)OC(CO)(OC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)C1O,0,0,1,0
C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3)C2)cc1,0,0,0,0
CN(C)c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1,0,0,0,0
O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1F,0,0,0,0
Cc1nc(NCc2ccccc2)c2nc(-c3ccccc3)n(CCN3CCCC3)c2n1,1,0,0,0
Cc1cc(-c2ccc(C=Nn3cnnc3)o2)ccc1Cl,1,0,0,0
COc1ccc(C(=O)NCc2nnc(SCC(=O)N3CCc4ccccc43)n2CCc2ccccc2)cc1,1,0,0,0
O=c1[nH]cc(-c2ccccc2)c2ccccc12,0,0,0,0
Cc1c(C)c2ccc(NCc3ccccc3)cc2oc1=O,0,0,0,0
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)c2ccccn2)cc1,0,1,0,0
Cc1cccc(C)c1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,0,0,0,0
NS(=O)(=O)c1ccc2c(c1)CC(NC(=O)C1CCCCC1)C2,0,0,0,1
COc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1,0,0,0,0
c1ccc2c(N3CCCCC3)nnc(N3CCCCC3)c2c1,0,0,0,0
CSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccccc2)cc1,0,0,0,0
O=c1c([N+](=O)[O-])c(N2CCOCC2)c2ccccc2n1Cc1ccccc1,0,0,0,0
CCOc1cc(CN2CCN(CCc3ccccc3)C(CCO)C2)ccc1OC,0,0,0,0
COc1c(O)cc2c(c1O)C(=O)OC(C)C2O,0,0,0,0
CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,1,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(C)(C)C(F)(F)F)[nH]2)c(F)c1,0,0,0,0
CCOCCCn1c(=S)[nH]c2cc(C(=O)NCC(OC)OC)ccc2c1=O,0,0,0,0
Nc1cccc(-c2cn(-c3cc4cc(C#CC5(O)CCCCC5)ccc4oc3=O)nn2)c1,0,0,0,0
CCOC(=O)C(C(=O)OCC)C(Nc1ccc(Br)cc1)c1ccccc1,0,0,0,0
COc1nc(CN2CCC(N3CC(CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)ccc1C#N,0,0,0,0
CN1C(=O)C(Cc2c[nH]c3ccccc23)C(=O)N(C)C1=O,0,0,0,0
C/C(=N\OC(c1cc2cc(OCc3ccc4ccccc4n3)ccc2s1)C1CCCCC1)C(=O)O,0,0,0,0
Nc1cnc(-c2ccc(-c3cccnc3S(=O)(=O)C3CCNC3)cc2F)cn1,0,0,0,0
CC1CC(C)CN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)C(=O)N3)C1,0,0,0,0
O=C(N/N=C/c1cccc(F)c1)c1cc(-c2ccco2)nc2ccccc12,0,1,0,0
C=CCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
OC(COc1ccc2ccccc2c1Cl)CN1CCOCC1,1,1,0,0
COCCNc1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1,0,0,0,0
Cc1c(-c2cccc(Cl)c2Cl)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
Cc1cc(O)c(-c2ccc(C3CCCNC3)cc2)c2c1[nH]c(=O)c1sccc12,0,0,0,0
Cc1cc([C@H](Nc2cccc(CN3CC(C(=O)O)C3)c2)C2CCC2)ccc1Cl,0,0,0,0
COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1,1,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(C(F)(F)F)c1,0,0,0,0
CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C,0,0,0,0
CCN(CC)C(=O)c1ccc(N(c2cccc(CN)c2)C2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
CCCN1C[C@@H](NS(=O)(=O)N(CC)CC)C[C@@H]2Cc3c(O)cccc3C[C@H]21,0,0,0,0
Cc1ccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)cc1C,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCC(F)(F)CO)ncc23)ccn1,0,0,0,0
CCCN(C(=O)OC(C)(C)C)C(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1,1,0,0,0
COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3c(C)c(C)ccc23)c(OC)c1,1,0,0,0
COc1ccc(CNCCSc2nnnn2C)c(OC)c1OC,0,0,0,0
COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1,0,0,0,0
CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1NCc1sccc1C,0,0,0,0
CC(C)n1nc(-c2ccc3[nH]c(=O)[nH]c3c2)c2c(N)ncnc21,0,0,0,0
COc1ccc(C(CNc2ccc(C(F)(F)F)cn2)N(C)C)cc1OC,0,0,0,0
O=C(NO)[C@H]1Cc2c([nH]c3ccccc23)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,0,0,0,0
O=C(N/N=C1\CCc2ccccc21)c1ccccc1Cl,0,1,0,0
N=C1N/C(=N\Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc21,1,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CNC1,0,0,0,0
O=C(c1ccc(NC(=S)NCc2ccco2)cc1)N1CCCCC1,0,0,0,0
CC1CCN(c2ccc(-c3cccc(NS(=O)(=O)c4ccc(F)cc4F)c3)nn2)CC1,0,1,0,0
Cc1csc(C(C)NC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1,1,0,0,0
O=C(CSc1nc(O)cc(=O)[nH]1)Nc1ccc2c(c1)CCC2,1,0,0,1
CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)cc2n(CCC)c1=O,0,0,0,0
COc1ccccc1CNCCCCCCCNCCCCCCCCNCCCCCCCNCc1ccccc1OC,0,0,0,0
Cc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)c(Cl)c1,0,1,0,0
CC1(O)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O,0,0,0,1
O=c1nc[nH]c2scc(-c3ccc(Br)cc3)c12,0,0,0,0
CCOC(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
Clc1cc2c(cc1Cl)Oc1cc(Cl)c(Cl)cc1O2,0,0,0,1
Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1,0,0,1,0
c1ccc(CCCCCN2CCCCC2)cc1,0,0,0,0
O=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1,0,1,0,0
O=S(=O)(NCc1ccco1)c1cnc(Cl)c(Cl)c1,0,0,0,0
Nc1nn(-c2ccccc2)nc1C(=O)OCc1ccccc1Br,0,0,0,0
C=CC(=O)Nc1ccc2ncnc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1,0,0,1,0
CN1CCN(CC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@@]32C)CC1,0,0,0,0
C[C@H](COc1ccc(-c2cn[nH]c(=O)c2)cc1)CN1CCCCC1,0,0,0,0
CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)CCCN)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,0,0,0,0
Cn1nccc1-c1nnc2n1CCN(C(=O)c1cccc(C(F)(F)F)c1Cl)C2,0,0,0,0
CN(CCN1CCCC1)Cc1nnc(Cn2c(SCc3ccc(F)cc3)nc(=O)c3c2CCC3)n1Cc1ccc(-c2ccc(C(F)(F)F)cc2)cc1,0,0,0,0
COc1ccc(-c2csc(CCn3nc(C)cc3C)n2)cc1OC,0,0,0,0
C=CCC1(O)CC(c2ccco2)NC(c2ccco2)C1CCC,0,0,0,0
Cc1cc(Nc2ccc(C)c(F)c2)n2ncnc2n1,0,0,0,0
Cc1cc(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)n2ncnc2n1,1,0,0,0
COc1cc(C(=O)N2CCC(CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC,0,0,0,0
N#Cc1c[nH]n2c(NC3CCCC3)c(-c3cccc(Br)c3)nc12,1,0,0,0
CCOc1cc2c(cc1OCC)C(c1ccc(Cl)cc1)N(c1ccc(Cl)cc1)C(=O)C2,0,0,0,0
CN(C)[C@H]1c2cc3c(ccn3S(=O)(=O)c3ccccc3)cc2[C@@H]1CCO,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCc1ccccc1,0,0,0,0
CC(NC(=O)/C(C#N)=C1\N=C(NC(=O)c2cccs2)c2ccccc21)c1ccccc1,1,0,0,0
CCOC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0,0,0
CC1=NCCN1S(=O)(=O)c1c(C(C)C)cc(C(C)C)cc1C(C)C,0,0,0,0
CC(c1ccc(-c2c(O)ccc3[nH]c(=O)c4sccc4c23)cc1)N1CCCC1,0,0,0,0
NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0,0,0,1
N#Cc1ccc(F)c(CSc2[nH]c(=O)c(C#N)c3c2CCCC3)c1,0,0,0,0
CC(C)COc1nc2ccccc2nc1N1CCN(C)CC1,0,0,0,0
Fc1ccc(/C=C/c2nc(N3CCC[C@H]3CN3CCCC3)c3cc(Cl)ccc3n2)cc1F,0,0,1,0
COc1cccc(OCc2cc(C(=O)N3CCN(c4ccccc4OC)CC3)no2)c1,0,1,0,0
O=[N+]([O-])c1ccc(Sc2nc3ccccc3o2)c([N+](=O)[O-])c1,0,0,0,0
Cc1oc2cc(OC(C)C(=O)O)ccc2c(=O)c1Oc1ccccc1,0,0,0,0
COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1O,0,0,0,0
CCOC(=O)c1c(-c2ccc(Cl)cc2)cn2ccccc12,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccc(F)cc2)CC1,0,0,0,0
Clc1cc2[nH]nc(Nc3ccccn3)c2cc1-c1ccccc1,0,0,0,0
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1,1,0,0,0
Cc1cccc(-c2noc(Cc3ccccc3)n2)c1,0,0,0,0
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(C)s1,0,0,0,0
Cc1nc2c3ccccc3nc(SCc3nc4ccccc4[nH]3)n2n1,0,0,0,0
CC(C)(O)C#Cc1ccc2c(c1)-c1nc(C(N)=O)c(-c3n[nH]c(C4CC4)n3)n1CCO2,0,0,0,0
Cc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0,0,0
C=CCN(C(=O)Cn1nc(C)n2c(cc3cc(C)ccc32)c1=O)c1ccccc1,1,0,0,0
COC(=O)C1=C(C)N(C)C(=O)NC1c1c(OC)ccc2ccccc12,0,0,0,0
Cc1ccc2nc(C(C#N)=Cc3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)[nH]c2c1,1,0,0,0
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4Cl)cc3)ccc12,0,0,0,0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncc(Br)cn2)CC1,0,0,0,0
CCOC(=O)c1csc(NC(=O)C(C)(C)C)n1,0,0,0,0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(N4CCOCC4)cc3)nc21,0,0,0,1
Cn1cc(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2c3ccccc3n(C)c2c1=O,1,0,0,0
COc1ccc([C@H]2N[C@]3(CCCN(Cc4ccc(Cl)cc4)C3=O)[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]23)cc1,0,0,0,0
Nc1nc2ccccc2n1S(=O)(=O)c1ccc(C(F)(F)F)cc1,0,0,0,0
COc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC1=O)[C@@H](C)CC)[C@@H](C)CC,0,0,0,0
CCOc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1OCC,0,0,0,0
CC(C)(C)N[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
COc1ccccc1N1CCN(C(=O)CN(C)S(=O)(=O)c2cc(C)ccc2OC)CC1,1,0,0,0
COC(=O)c1cc(NC(=O)C2COc3ccccc3O2)cc(C(=O)OC)c1,1,0,0,0
CNC(=O)c1cc(F)cc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
C=CCNS(=O)(=O)c1ncnc2nc[nH]c12,0,0,0,0
O=c1cc(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)nc2sccn12,0,0,0,0
C[C@H](Nc1nccc(N2C(=O)OC[C@]2(C)C2CC2)n1)c1ccc(CN2CCC(O)(C(F)(F)F)CC2)cc1F,0,0,0,0
S=c1c2c([nH]c3ncnn13)CCC2,0,0,0,0
CCSC(=S)SCC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1,0,0,0,1
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,0,0,0,0
O=C(NCCNCc1ccccc1)c1ccco1,0,0,0,1
O=[N+]([O-])c1ccc(CCn2ccnc2)cc1,0,0,0,0
CCOc1ccc(N(C)S(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1,1,0,0,0
Cc1ccc(NC(=S)N/N=C/c2c(Cl)cccc2Cl)c(C)c1,1,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(F)c1,0,0,0,0
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3cccc(C)c3)ccc21,1,0,0,0
CCN([C@H]1CCN(C(C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1c(-c2cnccn2)n[nH]c1-c1cccs1,0,0,0,0
Fc1cc(-c2cnn(C3CCNCC3)c2)cn2c(Cc3ccc4ncccc4c3)cnc12,0,0,0,0
CCOc1cccc(/C=C2\NC(=S)N(c3ccccc3)C2=O)c1O,0,1,0,0
COc1cc(C(=O)N2CC3(CC3)NC(=O)C2C)cc2nc(NC(CF)c3cccc(Cl)c3)oc12,0,0,0,0
O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1)c1ccco1,0,0,0,0
Cc1c(/C=N\NC(=O)c2c[nH]c3ccccc23)cnn1C,0,1,0,0
Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)N(C)C(=O)CC2(C)C,0,0,0,0
COc1cccc(C(C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)CCC(=O)Nc2cc(C)on2)c1OC,1,0,0,0
Nc1ncnc2c1c(-c1cc(OCC3CCO3)ccc1F)cn2C1CC(CN2CC[S+]([O-])CC2)C1,0,0,0,0
Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)N3CCOCC3)cc2c1,1,0,0,0
CC(=O)OC1C2C(CC(C)C3CCC(=O)C31C)OC(=O)C2C,1,0,0,0
CNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O,0,0,0,0
O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc3nc[nH]c3c2)CC1,0,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)NCc3ccco3)c2=O)CCC4)cc1,1,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OC,0,0,0,0
COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccccc3)CC2)cc1,0,0,0,0
CC(=O)Nc1c(C(=O)N2CCOCC2)cnn1-c1ccc(C)c(C)c1,0,0,0,0
CCN(CC)CC#CCC1(O)c2ccccc2-c2ccccc21,0,0,0,0
Cc1ccccc1NC(=S)NC(=O)C=Cc1ccco1,0,0,0,1
COc1ccc(-c2c(-c3cc(Br)c(O)cc3O)noc2NC(C)=O)cc1,0,0,0,0
O=C(CNC(=O)C1CC(=O)N(c2cccc3ccccc23)C1)Nc1ccccc1Br,1,0,0,0
COc1ccc(Nc2nc(N3CCCC3)nc3ccccc23)c(OC)c1,0,0,0,0
Nc1ncnc2ccc(Cc3nnc4ccc(-c5ccccc5)nn34)cc12,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@H]2OC3(O[C@H]21)C([N+](=O)[O-])=CC(=[N+]([O-])[O-])C=C3[N+](=O)[O-],0,0,0,0
CCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,0,0,0,0
Cc1cc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(C)(=O)=O)c2cc1C#N,0,0,0,0
Nc1n[nH]c(N)c1N=Nc1ccc2c(c1)OCO2,0,1,0,0
N#Cc1c(-c2cccc3nnsc23)oc2c(N)ncc(-c3cnn(C4CCC(O)CC4)c3)c12,0,0,0,0
C=CCn1c(=O)c2ccccc2n2c(SCC(=O)N3CCCc4ccccc43)nnc12,1,0,0,0
CCC(=O)N1CCN=C1SCc1ccccc1Cl,0,0,0,0
O=c1cc(C2CCCCC2)oc2ccc(OCCCCCCN3CCOCC3)cc12,0,0,0,0
CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccc(N(C)C)cc1,0,0,0,0
COc1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1Cl,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC2=O)c1C,0,0,0,0
O=C(Nc1cccc(-c2cccc(Cl)c2)c1)C1CCN(C2CCC2)CC1,1,0,0,0
Fc1cccc(C2NCc3ccccc3-n3cccc32)c1,0,0,0,0
COc1ccc(OC)c(C2CCN(Cc3cnn(-c4ccccc4F)c3C)C2)c1,0,0,0,1
COCCN1C(=O)C(=Cc2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)SC1=Nc1ccccc1,1,0,0,0
C[C@H](Nc1nc(NCCOc2ccccc2)nc(N(C)C)n1)c1ccccc1,0,0,0,0
O=C(NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1)C(F)(F)F,0,0,0,0
Cc1ccc(Cn2c(=O)n(Cc3ccc(Cl)cc3)c(=O)c3cccnc32)cc1,0,0,0,0
Cc1cccc2nc(-c3cccnc3)c(NCCC(C)C)n12,0,0,0,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2cc(OC)c(OC)cc2C[C@H]1C(=O)O,0,0,0,0
Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(F)nc4)ccc23)cn1,0,0,0,0
COc1ccc2nc(-c3ccc(Nc4ncnc5cc(OCCCN6CCN(C)CC6)c(OC)cc45)cc3)sc2c1,0,0,0,1
COc1ccc(N=C(C)C2C(=O)CSC2=O)cc1,0,0,0,0
Cn1c(-c2ccccc2)cnc1NCc1ccccc1O,0,0,0,0
Cc1cccc(NC(=O)CN2C(=O)S/C(=C\C(=O)Nc3ccc(Cl)cc3)C2=O)c1,1,0,0,0
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C(C(=O)c4ccccc4)C=CN2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1,1,0,0,0
CCCNc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12,0,0,0,0
COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](CCC(=O)OC(C)(C)C)NC(=O)[C@@H]1C3,0,0,0,0
CC(C)OC(=O)N1CCC(n2ncc3c(Oc4ccc(S(C)(=O)=O)cc4)ncnc32)CC1,0,0,0,0
Cc1cccc(-n2c(C)cc(C=C3C(=N)N4N=C(CC(C)C)SC4=NC3=O)c2C)c1,1,0,0,0
COC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C,1,0,0,0
c1ccc(CCN2CCC(c3cc(-c4cccs4)n[nH]3)CC2)cc1,0,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4O)cc32)cc1C,0,0,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3Cl)CC2)cc1,0,0,1,0
CCOC(=O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(/N=N/C(=C\O)C(=O)c2ccco2)cc1,0,1,0,0
COc1ccc(S(=O)(=O)N(C(=O)c2ccco2)c2cc3sc(=O)oc3c3ccccc23)cc1,1,0,0,0
COC(=O)C1=NNC2(c3ccc(C)cc3)C(=O)N(c3cccc(C)c3C)C(=O)C12,0,0,0,0
CCc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCSc2ncccn2)CC1,0,0,0,0
Fc1ccc(-c2nnc3ccccn23)cc1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cccc(C(C)C)c3)c2=O)cc1,0,0,0,0
O=C1CC(c2ccccc2)=Nc2ccc(Br)cc2N1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N2CCCC2=O)c1C,0,1,0,0
CC(C)Nc1cc(-c2nc3cccnc3nc2-c2ccc(F)cc2)ccn1,0,0,0,0
CC(C)c1ccc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)cc1,0,0,0,0
COc1cc(Oc2ccc(F)cc2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12,0,0,0,0
COc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1OC,0,0,0,0
O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)C1(c2ccccc2)CC1,0,0,0,0
Cc1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1,0,0,0,0
NC(=O)NN=Cc1c(Sc2nnnn2-c2ccccc2)nc2ccccn2c1=O,0,0,0,0
CCCn1c(SCC(=O)c2cc(OC)ccc2OC)nnc1-c1ccco1,1,0,0,0
CCCOCCn1c(=O)nc(N2CCN(CCO)CC2)c2ncc(-c3ccc(OC)nc3)cc21,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CC1,1,0,0,0
c1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1,0,0,0,0
Cc1c(CN2CCOCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O,0,0,0,0
COC(=O)C1C(=O)OC(C)(C)C1C(C)C(=O)c1ccccc1,0,0,0,0
CC1Cn2c(nnc2-c2ccccc2O)S1,0,0,0,0
Clc1ccccc1-c1nnc2sc(-c3cccs3)nn12,1,0,0,0
CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1,0,0,0,0
O=c1c(Br)c(OCc2ccc(F)cc2F)cnn1-c1c(Cl)cncc1Cl,0,0,0,0
O=C(OC1CCOC1=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1,0,0,0,0
CC1(C(=O)c2ccccc2)C2c3c(ccc4ccccc34)OC(=O)C21C(=O)N1CCOCC1,1,0,0,0
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2oc1=O,1,0,0,0
CC(C)n1cc(/C=C(\C#N)S(=O)(=O)c2ccccc2)c2ccccc21,0,0,0,0
O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccco1,0,0,0,0
CC(C)Sc1nc(-n2cccn2)nc(N)c1Br,0,0,0,0
CCCn1c(=O)c2[nH]c(C3CC(C)(C)N(O)C(C)(C)C3)nc2n(CCC)c1=O,0,0,0,0
COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(C2CC2)c(OC)n1,0,0,0,0
COc1cc(C(C2Sc3nc(C)nn3C2=O)N2CC(C)CC(C)C2)cc(OC)c1OC,0,0,0,0
CCc1ccc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)c2c1,0,0,0,0
COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1OC,0,0,0,0
CCOC(=O)Cc1nnn(CC(=O)OCC)n1,1,0,0,0
Cc1nnc(C(=O)NC(C)(C)c2nc(C(=O)NCc3ccc(F)cc3)c(O)c(=O)n2C)o1,0,0,0,0
Cc1ccc2occ(CN3CC4CC(C3)c3cccc(=O)n3C4)c(=O)c2c1,0,0,0,0
CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N1CCN(Cc2cccnc2)CC1,1,0,0,0
Cc1nc2cc(N3CCCCC3)c(NC(=O)c3ccncc3)cc2c(=O)n1Cc1ccccc1,1,0,0,0
C=CC1=C2C=C(C3CC3)N(C3CC3)C=C2C(=O)C(C)(OC(=O)c2ccco2)C1=O,0,0,0,0
Cc1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cn1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(F)c1F,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cc(F)c1,0,0,0,0
COc1ccc2c(C)c(CCC(=O)NCc3ccc(OC)c(OC)c3)c(=O)oc2c1,1,0,0,0
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc3ccccc3c2)cc1,0,0,0,0
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1OC,1,0,0,0
Cc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,0,0,0,0
COc1cccc2c1OC1(C)CC2NC(=O)N1c1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1,1,0,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(F)ccc2O)cc1,0,0,0,0
c1ccn2c(NC3CCCCC3)c(-c3ccc(N4CCOCC4)cc3)nc2c1,0,0,0,0
Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2C(C)C(=O)Nc1ccccc1F,1,0,0,0
COC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCN1,0,0,0,0
COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,0,0,0,0
CCCCOc1c(C(=O)c2ccc(C)cc2)cnc2n[nH]cc12,0,0,0,0
CCOC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0,0,0
O=C(O)C(CCc1ccccc1)NC1CCC[C@H]2SC[C@@H](C(=O)O)N2C1=O,0,0,0,0
COC(=O)c1sc(NC(=O)c2c(C)noc2C)nc1C,0,1,0,0
O=[N+]([O-])c1ccc(Cl)cc1N1CCOCC1,0,0,0,0
COc1cc(OC2CCC2)nc(-c2ccc3c(c2)CC[C@H]([C@@H]2C[C@H]2C(=O)O)O3)c1F,0,0,0,0
Nc1cnc(-c2ccc(C3CCC3)c(Oc3ccc(C(F)(F)F)nn3)c2F)cn1,0,0,0,0
[O-][n+]1ccc(C2CC2)cc1,0,0,0,0
Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,0,0,0,0
Nc1ncc(-c2ccc(C3(c4noc(-c5ccc(-n6ccnc6)nc5)n4)CCC3)cn2)cn1,0,0,0,0
COc1cc(CN(C)C(CC(C)C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
COc1cc(C(=O)N2CC(OC)C2)ccc1Nc1cc2cc(-c3cnn(C4COCC4O)c3)ccc2cn1,0,0,0,0
C/C(=N\NC(=O)c1nn(C)c(C)c1Br)c1cccc(NC(=O)c2ccoc2C)c1,1,1,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(N2CCCCC2)c1,0,0,0,0
CC(C)(C)NC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1,0,0,0,1
Nc1nc(-c2ccc(Cl)cc2)c2c(n1)-c1ccccc1C2=O,0,0,0,0
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(OC(F)(F)F)cc1,1,0,0,0
N/C(=N\OC(=O)Cc1cccs1)c1ccc(Cl)cc1,0,1,0,0
Cc1nnc2c(-c3ccccc3)nc3ccccc3n12,0,0,0,0
COCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc(OC)c(OC)c2)C1=O,1,0,0,0
Fc1ccc(Br)c(OC2CCN(c3ncc4[nH]cnc4n3)CC2)c1,0,0,0,0
O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1nc[nH]n1,1,0,0,0
CC(C)C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0,0,1,0
Cc1cc(OCCCN(Cc2cccc(C(F)(F)F)c2Cl)CC(c2ccccc2)c2ccccc2)n2ncnc2n1,0,0,0,0
Cc1c(C(=O)O)oc2c1-c1nn(Cc3ccc(Cl)cc3)cc1CC2,0,0,0,0
CCN(c1ccccc1)S(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCF)cc2Cl)cc1,0,0,0,0
O=C(Nc1ccccc1Cl)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,1,0,0,0
CC(C)n1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)n1,0,0,0,0
CC(c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12)N1CCOc2c(F)cc(F)cc21,0,0,0,0
Cn1ncc2cc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)ccc21,0,0,0,0
NNc1nc(-c2ccccc2Cl)nc2sc3c(c12)CCCC3,1,1,0,0
CCCCO[C@]1(c2cccc(O)c2)CCCC[C@@H]1CN(C)C,0,0,0,0
CC(C)(C)c1cc(Cn2nnc3c(N)nc(C4CC4)nc32)[nH]n1,0,0,0,0
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(NC5CCNC5)nc4)c3c2)cc(Cl)c1O,0,0,0,0
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(OCC3CCCCO3)ccc1-2,0,0,0,0
Cc1ccc(C)c(Nc2nc3ccccc3n3cnnc23)c1,0,0,0,0
O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1,0,0,0,0
C[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O,0,0,0,1
CN(C)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1ccc(-c2csc3[nH]cnc(=O)c23)cc1C,0,0,0,0
COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N(C)C)c2c1,0,0,0,0
CC(=O)Nc1ccc(-c2csc(NCc3ccco3)n2)cc1,0,1,0,0
COc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1,0,0,0,1
c1ccc2sc(Oc3ccc4c(CN5CCCCC5)coc4c3)nc2c1,0,0,0,0
Cn1c(=O)n(C)c2cc(S(=O)(=O)N3CCCCC3)ccc21,0,0,0,0
CN(C)C1CC(c2c[nH]c3ccc(Oc4ccccc4)cc23)C1,0,0,0,0
COc1c(F)ccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCOC(=O)CCCSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C(F)(F)F)cc3ccccc13)c(=O)n2C,0,0,0,0
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
CCN(CC)C(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1,0,0,0,0
COc1ccc(-c2cc3c(nn2)c(NCC(=O)N(C)C)nc(=O)n3CCOCC(F)(F)F)cn1,0,0,0,0
CC(C)(C)OC(=O)N1CCCC1COc1c(C2CCC2)ccc(-c2cnc(N)cn2)c1F,0,0,0,0
Cc1nnc(NC2=NCCCCC2)o1,0,0,0,0
CCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)c2ccc3nccnc3c2)C1,1,0,0,0
COc1ccc(-c2nc3ccc(NCc4ccc(Cl)c(Cl)c4)cc3n(CCNC(C)=O)c2=O)cc1,0,0,0,0
CCC1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c2cc(C)ccc2O1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2cccc(F)c2F)CC1,0,0,0,0
COC(=O)c1ccccc1NC(=O)Nc1cccnc1,0,1,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1Cl)C(F)(F)F,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1Nc1cnn(CCC#N)c1,0,0,0,0
CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)c(Cl)c1,1,0,0,0
CN(C)c1ccc(/C=C/c2nnnn2-c2ccccc2)cc1,0,1,0,0
COc1cccc([C@H]2O[C@H](CC(=O)NC(CC(C)C)C(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC,0,0,0,0
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](OCOCc4ccccc4)[C@H](OC)C3)[C@H](C)[C@@H](O)CC1=O)[C@H](C)C[C@@H]2OC,0,0,0,0
CCOc1ccc(Br)cc1S(=O)(=O)NCc1ccncc1,0,0,0,0
Cc1c(F)c(Oc2cccc(-c3cccc(C(=N)N)c3)c2)nc(Oc2cc(N(C)C)ccc2C(=O)O)c1F,0,0,0,0
COc1ccc(-c2csc(NN=C3CCCC3)n2)cc1,0,0,0,0
C#Cc1ccc(Nc2c(C(=O)NOCCO)cc(CN3OCCCC3=O)c(F)c2F)c(F)c1,0,0,0,0
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(C)cc2)cc1,1,0,0,0
COc1cc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c(C)cc1C,0,0,0,0
Nc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
COc1cc2c(cc1OC)C1=C(C#N)CCC(=NS(=O)(=O)c3cccc(Cl)c3)N1CC2,0,0,0,0
O=C(Nc1nccs1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,0,1,0,0
N=C(N)Nc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,0,0,1,0
Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)nc(C)n1,1,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@@H](C)C(=O)NC(C)C(F)F)c12,0,0,0,0
CC(C)CCNC(=O)c1ccc(Cn2c(=O)[nH]c3ccsc3c2=O)cc1,0,0,0,0
Cc1cc(OC2CC2)ccc1N1CCC(Oc2ccc([C@H](C)NC(=O)N(C)C)cc2)C1,0,0,0,0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)c(OC)c1,0,0,0,0
Cc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1,0,0,0,0
Cc1c(Cl)cccc1NC(=S)NN=Cc1ccccc1Cl,0,0,0,0
CN(C)c1ccc(C(=S)N2CCCC2)cc1Br,0,0,0,0
O=C1OCCN1CCN(CN1C(=O)CCC1=O)CN1C(=O)CCC1=O,0,0,0,0
CCCCC1(Cc2cccc([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0,0,0,0
O=S(=O)(c1ccc(F)c(F)c1F)N1CCN(C(=S)Nc2ccccc2)CC1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=N)N)cc1OC,0,0,0,0
CCN(CC)CCOc1ccc(C(=C(Cl)c2ccccc2)c2ccccc2)cc1,0,0,0,0
O=C(O)c1cc(/N=N/c2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1O,0,0,0,0
Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)c(Cl)c3)c12,0,0,0,0
CN(C)CC(=O)N1CCC(c2ccc(OC(=O)c3ncc(C#N)[nH]3)c(C3=CCCCC3)c2)CC1,0,0,0,0
COc1cc(Cl)c(NC(=O)CCc2nc3cccnc3n2-c2ccccc2)c(OC)c1,1,0,0,0
C=CCn1c(C)c(C(C)=O)c(SC)nc1=S,0,0,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCC5(CCC(=O)N5)CC4)ncn3)c2c1,0,0,0,0
O=[N+]([O-])c1ccc(O)c(N=Cc2sc3ccccc3c2O)c1,1,1,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(OC(F)(F)F)cc2)C3)c1C,0,0,1,0
CC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccccc3)cc12,0,0,0,0
NCC(c1ccc(C(F)(F)F)cc1)C1CCN(c2ncnc(N)c2-c2cnoc2)CC1,0,0,0,0
CCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,0,0,0,0
CCOc1ccc(-n2c(-c3ccccc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1,0,0,0,0
Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1S(=O)(=O)N1CCOCC1,0,0,0,0
COc1cc(/C=N/NC(=O)CN2CCCCC2)ccc1OCc1ccccc1,0,1,0,0
COc1ccc2oc(C(=O)C3CC3)c(N)c2c1,0,1,0,0
Cc1ccc(C)c(S(=O)(=O)c2c[nH]c(SCC(=O)Nc3ccc(F)cc3F)nc2=O)c1,1,0,0,0
Cn1c(SCC(=O)N2CCOCC2)nnc1-c1cccc(NC(=O)c2ccccc2)c1,1,0,0,0
OCc1cccc(C2=NCCCC2)c1,0,0,0,0
CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1,0,0,0,0
O=C1Nc2c(Cl)cccc2/C1=C\c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)o1,0,0,0,0
Cc1c(C)c2ccc(OCc3ccc(F)cc3)cc2oc1=O,0,0,0,0
COc1ccc(-c2cc(C3CC3)nc3sc(C#N)c(N)c23)cc1,0,0,0,0
CCCOc1ccc(S(=O)(=O)N2CCN(CCP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1,0,0,0,0
COC(=O)CCC=C=CC[C@@H]1C(=O)C[C@H](O)[C@H]1/C=C/[C@H](O)COc1ccccc1,0,0,0,0
Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1Cl,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC2CC2)[C@@H](O)[C@H]1O,0,0,0,0
CC(C)(C)C(=O)Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1,0,0,0,0
COc1cc(OC)cc(-n2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)c1,0,0,0,0
CN(C)Cc1ccc(/C=C2\NC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)cc1,0,0,0,0
O=C(C1=C[C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)[C@H]3[C@@H](C(=O)c3ccc(Cl)cc3)N2C=C1)c1ccccc1,1,0,0,0
COc1ccc(-c2cc3nc[nH]c(=O)c3s2)cc1,0,1,0,0
CC(C)Oc1nc(-c2ccccc2O)nc2ccccc12,0,0,0,0
Nc1nc2c(cnn2CCN2CCN(c3cnccn3)CC2)c2nn(Cc3ccccc3)c(=O)n12,0,0,0,0
CCn1cc(C=C(NC(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)NCCN2CCOCC2)c2ccccc21,1,0,0,0
C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccc3c(N)ncnc3c2)c1,0,0,0,0
CCCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3sc4c(c3C#N)CCCC4)nc21,1,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)CC)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
Cc1nc(-c2ccccc2)n2nc(Nc3ccc(OCCN(C)C)cc3)ncc12,0,0,0,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(-n3cccn3)c2)n1,0,0,0,0
COc1cc([C@@]2(O)CCN(C)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
O=C(O)c1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1,0,0,0,0
O=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1ccccc1,0,0,0,0
COC(=O)C1(C)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,0,0,0,0
CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,0,0,0,0
COc1ccc(C2N3CC4(C)CN2CC(C)(C3)C4)cc1OC,0,0,0,0
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)NC(C)(C)C)cc1,0,0,0,0
NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1C(F)(F)F,0,0,0,0
COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cc(Br)ccc21,1,0,0,0
COc1cc(-c2n[nH]cc2CN(C)C2CCOC2)cc(OC)c1OC,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21,0,0,0,0
O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1ccc(Cl)cc1,0,0,0,0
COC(=O)c1c(NS(=O)(=O)c2cccs2)sc2c1CCCC2,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1C[C@@H]2C[C@H]1CN2,0,0,0,0
CCC1(CC)C(=O)N(C)C(=O)NC1=Nc1ccc(OC)cc1,0,0,0,0
Cn1c(C[S+]([O-])Cc2c(Cl)cccc2Cl)nnc1SCc1c(Cl)cccc1Cl,1,0,0,0
O=[N+]([O-])c1cccc(-c2nn(-c3ccccc3)cc2CO)c1,0,0,0,0
CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2cccc(O)c2)c1,0,0,0,0
O=C(O)C=CC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1,0,0,1,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(Cl)c2Cl)c1)C(F)(F)F,0,0,0,0
OC1(c2ccccc2)ON=C(c2ccccc2)C1(Cl)Cl,0,1,0,0
O=C(c1ccc(Oc2ncccc2[C@H]2CC[C@H](CO)C2)cc1)c1nc2ccccc2[nH]1,0,0,0,0
CC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O,0,1,0,0
CCCN1CCc2cccc3c2C1Cc1cccc(OCCCCN2CCN(c4ccccc4OC)CC2)c1-3,0,0,0,0
COc1cc(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
Cc1cc(Nc2ccc(Cl)cc2)n2ncnc2n1,0,0,0,0
N#C[C@H]1C(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCC[C@H]1O,0,0,0,0
COC(=O)c1ccccc1NC(=O)CSc1nc(N)cc(=O)[nH]1,0,0,0,1
COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3c(F)cccc3Cl)c2=O)c1,0,0,0,0
Cc1cccc(-c2nnc3sc(-c4ccccc4)nn23)c1,0,0,0,0
COc1ccc(-c2cc(OC(=O)c3cccc(Cl)c3)c3c(C)oc(C)c3c(=O)c2)cc1,0,0,0,0
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CCCCC1,1,0,0,0
Cc1c(-c2cccc(F)c2)ccc(F)c1CNc1c(F)ccc(OCC(=O)O)c1F,0,0,0,0
Oc1ccccc1-c1csc(-c2ccccc2)n1,0,1,0,0
O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)OCO2,0,1,0,0
CCCCc1nc2ccn(Cc3ccccc3[N+](=O)[O-])c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2cc(OC)ccc2O)cc1,0,0,0,0
COc1ccc(-c2c[nH]nc2-c2ccc(O)cc2O)cc1OC,0,0,0,0
COc1ccccc1NC(=O)c1sc2ncn(Cc3ccc(C)cc3)c(=O)c2c1C,1,0,0,0
COc1ccc2c3c(c(=O)oc2c1OCC(=O)O)CCCC3,0,0,0,0
Cc1ccc(C(=O)Nc2nccs2)cc1S(=O)(=O)N1CCCCC1,0,1,0,0
CC(C)OC(=O)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1,0,0,0,0
Nc1ncc(-c2ccc(C3(c4noc(-c5ccnnc5)n4)CCC3)cn2)cn1,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)CC(F)(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
COc1ccc(Oc2coc3cc(O)ccc3c2=O)cc1,0,0,0,0
O=C(O)C1Cc2nc[nH]c2C(c2cccnc2)N1,0,0,0,0
Cc1ccnc(NC(=O)Nc2cccc(F)c2)c1,0,1,0,0
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)ccc1OC(C(=O)O)c1ccc2c(c1)OCO2,0,0,0,0
CN(CCCCCCN(C)C(=O)Oc1ccc[n+](C)c1)C(=O)Oc1ccc[n+](C)c1,0,0,0,0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCOCC(=O)O)n1,0,0,0,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1cccc([N+](=O)[O-])c1,0,0,0,0
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1F,1,0,0,0
COCc1cc(=O)[nH]c2cc(NC(=O)C3CC3)c(C)cc12,1,0,0,0
CS(=O)(=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,0,0,0,0
Oc1ccc(CN2CCc3ccccc3C2)c2cccnc12,0,0,0,0
Cc1ccc(-c2cc(=O)c3ccc(Cl)cc3[nH]2)cc1,0,0,0,0
CCC(C)(CC)Sc1nc2cc(N3CCN(CCO)CC3)c(Cl)cc2[nH]1,0,0,0,0
CCOC(=O)c1nnn(-c2cc3oc4ccccc4c3cc2OC)c1[C@H](O)[C@@H](O)[C@H](C)O,0,0,0,0
Cc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)NCCN2CCOCC2)cc1,1,0,0,0
CCN1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1,1,0,0,0
CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3ccc(Cl)cc3)n2)cc1)c1ccccn1,1,0,0,0
Clc1ccccc1C1CC(c2ccccc2)=Nc2ccccc2N1,0,0,0,0
COc1cc(C)c(Cc2ccc(C(C)C)cc2)cc1[C@@H]1S[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(O)cc3)c12,0,0,0,0
COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3cccs3)CC2)c(OC)c1,0,0,0,0
COC(=O)C1(C)NC(c2ccc(F)cc2)C2C(=O)N(c3ccc(C)cc3)C(=O)C21,0,0,0,0
Oc1cc2c3ccc(O)c(O)c3n(Cc3c(Cl)cccc3Cl)c2cc1O,0,0,0,0
CC(C)CNC(=S)NNC(=O)c1csc2c1CCCC2,0,0,0,0
CC(=NNc1nc(-c2cc(C)ccc2C)cs1)c1cc2c(ccc3ccccc32)oc1=O,0,0,0,0
CCCCCc1nc(SCc2ccc(-c3ccccc3C#N)cc2)nn1Cc1ccc(-c2ccccc2-n2cnnn2)cc1,0,0,0,0
CCCCn1c(SCC(N)=O)nc2c(sc3ccccc32)c1=O,1,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CCC(C)CC1,0,0,0,0
COc1cccc(C(=O)Nc2cccc(-c3ccccc3)c2)c1,0,1,0,0
CCc1nc(C)c2c(OC(C)C)nc3ccc(OC)nc3n12,0,0,0,0
Fc1cccc(/C=N/NC(=S)Nc2ccccc2Cl)c1,1,0,0,0
Cc1cccc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccc4c(c3)OCCO4)n2)c1,1,0,0,0
O=S(=O)(O)c1cc(O)c(N=Nc2ccc3ccccc3c2O)c2ccccc12,1,0,0,0
S=C(SSC(=S)N1CCCOCC1)N1CCCOCC1,0,0,1,0
CN(C)CCOc1ccc(-c2[nH]c3ncnc(NC[C@H]4CCC[C@H]4O)c3c2-c2ccccc2)cc1,0,0,0,0
OCC1(CCc2ccccc2)CCCN(CCCc2ccccc2)C1,0,0,0,0
CCC(CC)Sc1nc2cc(N3CCN(CCO)CC3)c(Cl)cc2[nH]1,0,0,0,0
CC1=C(C(=O)OCC2CCCCC2)C(c2cccc(Cl)c2Cl)CC(=O)N1,0,0,0,0
Cc1sc(NC(=S)NC(=O)C2CCCCC2)c(C(N)=O)c1C,1,0,0,0
COc1ccc(Nc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1,0,0,0,0
CCOC(=O)COc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,0,0,0,0
CCN(CC)CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1,0,0,0,0
COc1ccc2c3c1O[C@H]1[C@@]4(OC)CC[C@@]5(C[C@@H]4COCC4CCCCC4)[C@@H](C2)N(C)CC[C@]315,0,0,0,0
CCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@H](C(N)=O)[C@H](C)CC)[C@H](C)CC)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O,0,0,0,0
CCn1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(CCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)n1,0,0,0,0
CN1CC(C2=NCCN2)Oc2ccc(F)cc21,0,0,0,0
N#Cc1c(Cn2cncn2)nc(=O)n(-c2ccccc2)c1N,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCN)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC(C)COn1c(=S)[nH]c2ccccc2c1=O,0,1,0,0
COCCCNC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21,0,0,0,0
CN(C)c1ccc(/C=N/NC(=S)NCc2ccccc2)cc1,1,0,0,0
C=C1c2cccc(OC)c2OC(C(=O)OCC)C1CCCCCC,1,0,0,0
CC1(C)CCCC2(C)C1CC(=O)C13CC(CCC12)C(O)(CO)C3,0,0,0,0
COc1cccc(CNS(=O)(=O)/C=C/c2ccc(OC)c(OC)c2)c1,0,0,0,0
c1ccc(Nc2nc(NC3CC4CCC3C4)c3[nH]cnc3n2)cc1,0,0,0,0
COC(=O)C1=C(C)N(c2ccc(OC)cc2)C(=O)/C1=C\c1cccs1,0,0,0,0
CCOCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,0,0,0,0
CC(=O)O[C@H]1C(=O)N2[C@@H](C(=O)OCc3ccccc3)C(C)(C)S(=O)(=O)[C@H]12,0,0,0,0
CCOC(=O)CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C,0,0,0,0
Cc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1,0,0,0,0
c1cc2c3cnc(Nc4ccc(N5CCCCC5)nn4)nc3n(C3CCCC3)c2cn1,0,0,0,0
COc1ccccc1C(=O)Nn1c(C)nc2ccccc2c1=O,0,0,0,0
COc1ccc(-c2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1,0,0,0,0
COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccc(F)cc1,0,0,0,0
COC(=O)CN1C(=O)C(=NNC(=O)CNC(=O)COc2cccc(C)c2)c2ccccc21,1,0,0,0
Cc1cc(=O)nc(SCc2cc(Cl)ccc2OC(F)F)[nH]1,0,0,0,0
CC1CCCC(C)N1C(=O)COC(=O)c1n[nH]c(=O)c2ccccc12,0,0,0,0
COc1ccc(/C=C2\SC(c3ccc4ccccc4c3)=NC2=O)cc1,0,0,0,0
OC(CNC1CCN(c2ncnc3ccsc23)CC1)COc1ccccc1,0,0,0,0
CC(=O)NC1(C(=O)O)CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1,0,0,0,0
CCOC(=O)CC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1,0,0,0,0
COc1cccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4ccccc4)cc32)c1,1,0,0,0
COc1ccc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)c2c1,0,0,0,0
COc1ccc(OCc2cc(C(=O)NC(C)c3csc(C)n3)no2)c(Cl)c1,0,1,0,0
Cc1ccc(Cc2cncc(O)c2)cc1S(=O)(=O)O,0,0,0,1
COc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2)c1,0,0,0,0
CSC1=NC(=Cc2ccc(C)s2)C(=O)S1,0,0,0,0
O=C(O)C(CCCCN1C(=O)C2C3C=CC(C3)C2C1=O)N1C(=O)C2C3C=CC(C3)C2C1=O,0,0,0,0
O=C1COc2ccc(CNC34CCC(CCc5c(F)cnc6ccc(N7CCOCC7)nc56)(CC3)OC4)nc2N1,0,0,0,0
CN1CC(=O)N(C)c2nc(Br)n(C)c2C1=O,0,0,0,0
CCCOc1ccc(-c2nc(C)cs2)cc1-c1nc2c(c(C)nn2CC)c(=O)[nH]1,0,0,0,0
COc1ccc(-n2nc(C(N)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,0,0,0,0
Cn1c(=O)[nH]c2cc(-c3ccccc3)[nH]c2c1=O,0,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1OC,0,0,0,0
COc1ccc(S(=O)(=O)c2c(Nc3ccc(F)cc3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,1,0,0,0
Cn1nncc1C(=O)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1,0,0,0,0
Cc1ccc(N2C(=O)NC(C(F)(F)F)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1,0,0,0,0
CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2nc1N1CC(O)C1,0,0,0,0
CCCC(=O)Nc1ccc2c(c1)Cc1ccccc1-2,0,1,0,0
COc1ccc(N2CCc3c(-n4ccc(N5CCCNC5=O)n4)cc(C)nc32)c(C)c1,0,0,0,0
CN(C)S(=O)(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccccc1)c1ccccc1,0,0,0,1
COCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc(OC)c2)C1=O,1,0,0,0
CCOC(=O)C(=O)N(Nc1ccc(C)cc1)c1ccc(C)cc1,0,0,0,0
NC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CC(=O)c1cc(CN2CCN(CCc3ccccc3)C(CCO)C2)cs1,0,0,0,0
COc1ccc(-n2c(SCC(=O)C(C#N)=C(C)N)nc3ccccc3c2=O)cc1OC,0,0,0,0
Cc1nc2c(-c3ccccc3)c(C)nn2c(C)c1CCC(=O)NC(C)c1ccccc1,1,0,0,0
CCCSCCCNC(=O)CC1Oc2ccccc2NC1=O,1,0,0,0
O=C(O)COc1ccc(Cl)cc1C1CCCCC1,0,0,0,0
Cc1nc2nc(-c3ccc(CN4CCC(n5ncc6c(N)ncnc65)CC4)cc3)c(-c3ccccc3)cn2n1,0,0,0,0
O=C(Oc1ccccc1C(=O)N1CCOCC1)c1ccccc1,0,0,0,0
CC(C)(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F,0,0,0,0
CC(C)CC1NC(=O)N(CC(=O)c2ccc3c(c2)OCCO3)C1=O,0,1,0,0
Cc1ccc(-n2c(C)cc(=O)cc2C)cc1[N+](=O)[O-],0,0,0,0
CS(=O)(=O)NC1CCN(c2cc(-c3ncccc3Cl)c(Cl)cn2)CC1,0,0,0,0
COC(=O)C(C)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O,0,0,0,0
CC(C)N1C(=O)/C(=N\Nc2ccc(Cl)nn2)c2ccccc21,0,0,0,0
Cc1ccc2c(c1)C(=O)OC1(O)C3C4C=CC(C4)C3C(=O)N21,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4Cl)cn3)[C@H]12,0,0,0,0
CCOC(=O)C(=O)C(=CN(C)C)c1onc(-c2c(F)cccc2Cl)c1C(=O)OC,1,0,0,0
COc1ccc2nc(NC(=NS(=O)(=O)c3cccs3)c3ccccc3Cl)sc2c1,0,0,0,0
COc1ccc(OC(=O)c2cnc3n(c2=O)CCS3)cc1,0,0,0,0
CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccc(OC)cc2)N2C[C@@H](Cc3ccccc3)N=C12,0,0,0,0
COc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OCC(=O)NC(C)(C)C,1,0,0,0
CCC1CN(C(=O)NCc2ccc(C)cc2)c2cc(C)ccc2O1,1,0,0,0
O=C(O)CCSc1nnc(-c2ccc3c(c2)OCO3)o1,0,1,0,0
Cc1cc2oc(=O)cc(CN3CCOCC3)c2cc1C,0,0,0,0
CC1(C)N=C(N)NC(Nc2cccc(Br)c2)=N1,0,0,0,1
CCOC(=O)Nc1sn[n+](C)c1C,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccc5nc(C)ccc5c4)C3)c2cc1OC,0,0,0,0
O=c1c(/C=N/OCc2ccc(Cl)cc2Cl)c[nH]n1-c1cccc(Cl)n1,0,1,0,0
NNc1nc(C(F)(F)F)nc2ccccc12,0,0,0,0
Cn1c(SC2CCCCC2=O)nnc1-c1ccccc1F,0,0,0,0
COc1ccc(C)n2nc(CCc3nc(-c4cccnc4)cn3C)nc12,0,0,0,0
Cc1cc(C(=O)N/N=C/c2ccc(OC(=O)c3ccccc3Br)cc2)n[nH]1,0,0,0,0
CCOc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)CC2)cc1,1,0,0,0
CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2B(O)O)c(F)c1,0,0,1,0
Cc1cc(=O)cc(C)n1-c1ccc(Br)cc1,0,0,0,0
COc1cc(OC)c(NC(=O)NCc2ccc3c(c2)CCN3C(C)=O)cc1Cl,1,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCC(C(=O)NCC(F)(F)F)CC1,0,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC(=O)C1CC1,0,0,0,0
COc1cc(OC)c(C(=O)CCCN2CCCC2)c(OC)c1,0,0,0,0
O=C1CC[C@@]2(NCCCCc3ccc(Cl)cc3)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5,0,0,0,0
CCn1c(C)cc(C=C2NC(=O)N(Cc3ccccc3)C2=O)c1C,0,0,0,0
Cn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21,0,0,0,0
COC(=O)C1=C(c2ccc(Cl)c(C(F)(F)F)c2)CC2CCC1N2C(=O)NC1CC1,1,0,0,0
COCCS(=O)(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1,0,0,0,0
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(CSc1nnnn1-c1ccccc1)C2=O,0,0,0,0
CN1CCN(c2ccccc2NC(=O)Cc2cn(C)c3ccccc23)CC1,1,0,0,0
COc1ccccc1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C(C)C,0,0,0,0
COc1cc2[nH]c3c(=O)[nH]cc(-c4ccc(O)cc4)c3c2cc1OC,0,0,0,0
COc1ccccc1N(CN1CCCC1=O)C(=O)c1ccccc1F,0,0,0,0
O=S(=O)(c1ccccc1)N1CCN(c2nnnn2-c2ccccc2)CC1,0,0,0,0
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(OC)c(N4CCN(C)CC4)c3)c(C(N)=O)nc2CC)c1,0,0,0,0
Nc1nc(N)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)coc2n1,0,0,0,0
Fc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1,0,0,0,0
O=c1[nH]c2ccc(-c3cn[nH]c3)cc2cc1-c1cc2cc(CN3CCC(F)CC3)ccc2[nH]1,0,0,0,0
CS(=O)(=O)c1ccc(N2CCCC2C(=O)O)cc1,0,0,1,0
CN(C)/C=C/c1onc(-c2c(F)cccc2Cl)c1C#N,0,0,0,0
O=c1[nH]c(SCC2CCCCO2)nc2ccccc12,0,0,0,0
CN(Cc1cccc(-c2cnc(N3CCN(c4ccc(C#N)nc4)CC3)nc2)c1)C(=O)CN,0,0,0,0
Oc1ccc(CN2CCCCC2)c2cccnc12,0,0,0,0
Oc1cccc(-c2csc(-c3cccc(O)c3)n2)c1,0,0,0,0
O=C(/C=C/c1ccc2c(c1)cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1)NO,0,0,0,1
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccc(C(=O)O)cc1,0,0,0,0
N#CCc1ccc(-n2cnc3cnc4cc(Cl)c(-c5ccsc5)cc4c32)cc1,0,0,0,0
CCNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O,0,0,0,0
Cc1nn(-c2ccccc2)c2c1C(c1cccs1)C(C#N)=C(N)O2,0,1,0,0
CC(C)S(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,0,0,0,0
Nc1nccc2cc(NC3C(=O)NCc4cccc(c4)NC(=O)CCCc4ccc3cc4)ccc12,0,0,0,0
O=c1c2ccccc2nc2ccc(N3CCOCC3)nn12,0,1,0,0
O=S(=O)(c1ccc(C(O)C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
C=CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccccc1F,1,0,0,0
CCC(=O)NC(Cc1ccccc1)c1ccc2c(c1)OCCCO2,0,0,0,0
Cc1[nH]c2ccccc2c1CCN1CCc2cc(/C=C/C(=O)NO)ccc2C1,0,0,0,0
CC(C)c1ccc(/C=C/c2nc(NCCN(C)C)c3cc(Cl)ccc3n2)cc1,0,0,1,0
Cc1cn(-c2cccc(C(=N)N)c2)c(C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)n1,0,0,0,1
O=C(N/N=C/c1ccccn1)c1ccc(Cl)cc1,0,1,0,0
O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4ccc(F)cc4)c3=O)ccc2/C1=C/c1ccc[nH]1,0,0,0,0
Cc1ccc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1,0,0,0,0
Cc1cc2c(c(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O,0,0,0,0
CSc1nnc2[nH]c(=O)cc(C)n12,0,0,0,0
CC1(C)S[C@@H]2[C@H](/N=C/N3CCCCCC3)C(=O)N2[C@H]1C(=O)O,0,0,0,0
CCCC[C@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2cn(C)c3cccc(C)c23)c1=O,0,0,0,0
Cc1ccc(Nc2nc3ccccc3n3cnnc23)cc1Cl,0,0,0,0
CCc1nc(-c2ccc(CCNC[C@H](O)c3ccc(Cl)c(NS(C)(=O)=O)c3)cc2)cs1,0,0,0,0
N#CCC(CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1ccc(Cl)cc1,1,0,0,0
O=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1,0,0,0,0
CC1Nc2ccc(-c3coc(C#N)c3)cc2C(C)(C)O1,0,0,0,0
NC(Cc1ccc2nonc2c1)C(=O)O,0,0,0,0
O=C(Nc1ccc(Cl)cc1)Nc1nc(-c2sccc2Br)cs1,1,0,0,0
CNc1nc(Nc2ccc(C(=O)N3CCOCC3)cc2OCC2CCC2)ncc1C(F)(F)F,0,0,0,0
CN(Cc1ccco1)c1ncnc2ccc(-c3ccccc3C#N)cc12,1,0,0,0
N#Cc1cc2c(nc1S(=O)(=O)Cc1ccccc1)CCCC2,0,0,0,0
O=C1NC(=O)C2C1C(c1ccccc1)N1C3C(=O)NC(=O)C3C(c3ccccc3)N21,0,0,0,0
CCn1c2ccccc2c2cc(C3C(C#N)=C(C)NC(C)=C3C#N)ccc21,1,0,0,0
Cc1cc(=O)cc(C)n1-c1ccc(F)cc1F,0,0,0,0
Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)cnc(N[C@H](C4CC4)C(F)(F)F)c23)cn1,0,0,0,0
CCOC(=O)N1CCN=C1SCc1ccc(Cl)c(Cl)c1,0,0,0,0
CC(=O)c1ccc(OCC(O)CNCCC(c2ccccc2)c2ccccc2)cc1,0,0,0,0
COc1cc(C)ccc1OCCCON1C(=O)CCC1=O,0,0,0,0
NCC1CCCN1C(=O)c1cnc(Oc2ccc3c(c2)CC[C@@H](c2ccccc2)O3)s1,0,0,0,0
Cc1cc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(=O)(=O)N(C)C)c2cc1C#N,0,0,0,0
COc1ccccc1NC(=O)N(Cc1cc2cc(OC)c(OC)cc2[nH]c1=O)CC1CCCO1,1,0,0,0
COc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,0,0,0,0
COc1ccc(OC)c2sc(N3CCCCC3)nc12,0,1,0,0
O=S1(=O)N=C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)c2ccccc21,0,0,0,0
COc1cc(CN2CCC(Nc3nc4ccccc4s3)CC2)c(OC)c2ccccc12,0,0,0,0
CC(C)C[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)N)CSCc2cc3cc(c2)CSC[C@@H](C(=O)NCC(N)=O)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](CSC3)NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC1=O,0,0,0,0
NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCN2CCOCC2)C3)nc1,0,0,0,0
N#Cc1nc(COc2cccc(Cl)c2)oc1NCc1ccco1,0,1,0,0
CC(C)CC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
CSC(=Nc1ccc(F)c(Cl)c1)NS(=O)(=O)c1cccs1,0,0,0,0
O=C(c1ccccc1)c1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)o1,0,0,0,0
CCc1nc(-c2cccc(C)c2)c(-c2ccnc(NCCc3ccccc3)c2)s1,0,0,0,0
CC(=O)Nc1ccccc1-c1nc2ccccc2n(CC(=O)Nc2cccc(C)c2C)c1=O,1,0,0,0
c1ccc(-c2c(-c3ccc(OCCN4CCCC4)cc3)oc3ncnc(NCCN4CCNCC4)c23)cc1,0,0,0,1
COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C)c2n1,0,0,0,0
C[C@@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1,0,0,0,0
COc1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1,0,0,0,0
CCN(CC)CC(=O)N1N=C(c2cccs2)CC1c1ccco1,0,0,0,0
O=C1c2c(O)cccc2C2CNCCN12,0,0,0,0
CCOC(=O)C(CC)(CC)NC(=O)c1ccc(C2CCCC2)c(OCC2CC2)n1,0,0,0,0
CN1CCN(Cc2cccc(C(=O)/C=C/c3cccc(/C=C/C(=O)NO)n3)c2)CC1,0,0,0,1
C=CCn1c(SCC(=O)NC2CCCC2)nc2scc(-c3ccco3)c2c1=O,1,0,0,0
COc1ccccc1CN1CCC2(CC1)CCN(C(=O)c1c(C)noc1C)CC2,0,0,0,0
NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccccc1F,0,0,0,0
Cn1cnnc1-c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1,0,0,0,0
COc1cc2[nH]c(=S)n(C3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC,0,0,0,0
N#CC1=C(c2c(-c3cc4ccccc4s3)n(CCCN)c3ccccc23)C(=O)NC1=O,0,0,0,1
COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4cccc(OC)c4)n3)cc2)cc1,1,0,0,0
c1cncc(CNc2cccn3nc(Nc4ccc(OCCN5CCCC5)cc4)nc23)c1,0,0,0,0
COc1ccccc1C(=O)COC(=O)c1ccccc1O,0,1,0,0
Cc1ccc(C(C)(O)CS(=O)(=O)Cc2ccccc2)cc1,0,0,0,0
Cc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(C(=O)c3ccco3)CC2)cc1,1,0,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1OC,1,0,0,0
Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C,0,0,0,0
CCN(CC)CC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1,0,0,0,0
NCC1CCC(Nc2cncc(-c3ccc4oc(C(=O)O)cc4c3)n2)CC1,0,0,0,0
CC1CCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)CC1,0,0,0,0
COCCNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCOC)ccc1-2,0,0,0,0
O=C(ON=C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1,0,0,0,0
C1=CCCCC1,0,0,1,0
O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cnccc4F)c3CCN12,0,0,0,0
CONC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
Cc1ccccc1-n1c(=O)cc(NCc2ccc3c(c2)OCO3)[nH]c1=O,0,0,0,0
COc1cc(C(=O)N2CCN(C(=O)c3cccc4ccccc34)CC2)cc(OC)c1OC,1,0,0,0
CN(C)CC(Oc1ccccc1)Oc1ccccc1,0,0,0,0
COc1ccc(S(=O)(=O)NC(N)=NCCc2ccccc2)cc1,0,0,0,0
CN(C)c1ccc(-c2nc(-c3ccc(Br)cc3)c(CC(=O)O)s2)cc1,0,0,0,0
CCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-],0,0,0,0
CC(C)n1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1,0,0,0,0
NC(Cc1c[nH]c2ccccc12)c1nnc(SCc2c(F)cccc2Cl)o1,0,0,0,0
CCOc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
COc1cc(C2OCC3(OC(C)=O)C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,0,0,0,0
COc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)NCCN2CCOCC2)cc1OC,1,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2N)cc1,0,1,0,0
Cn1c(=O)n(C)c2cc(S(=O)(=O)NCc3ccco3)ccc21,0,0,0,0
O=C(O)CC1S/C(=N/N=C/c2ccc([N+](=O)[O-])cc2)N(c2ccc(O)cc2)C1=O,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,0,0,0,0
CC(=CC1CCCCC1)C(NC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1,1,0,0,0
Cn1c(=S)[nH]c2cccc(NC(=O)Cc3cccnc3)c21,0,0,1,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1N(C)CC(C)C,0,0,1,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(OC)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)cc1,0,1,0,0
CN1CCc2c(sc(NC(=O)c3cc(Cl)sc3Cl)c2C(N)=O)C1,1,0,0,0
Oc1ccccc1C1N=C(c2ccccc2)NC(c2ccccc2)=N1,0,0,0,0
COc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)c(OC)c1OC,0,0,0,0
Cc1cc2cc(CN(C(=O)C3CC3)C3CCCC3)c3nnnn3c2cc1C,1,0,0,0
O=C1NCN(c2ccccc2)C12CCN(Cc1ccccn1)CC2,0,0,0,0
O=C(CCl)NCc1cc(-c2ccc(Cl)cc2)no1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(S(=O)(=O)O)c2)c1,0,0,0,0
CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc21,1,0,0,0
CCN(C)CCc1c(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c2ccccc12,0,0,0,0
O=C(c1ccc2ccccc2c1)N1CCC(NCCCc2ccccc2)CC1,0,0,0,0
Cc1ccc(C)c(Nc2nn3c(=O)c4cc5c(cc4nc3s2)OCO5)c1,1,0,0,0
C=C1CC[C@H]2[C@@H](/C=C(\C)C(=O)[C@@]3(OC(C)=O)C[C@H](C)[C@H](OC(=O)c4ccccc4)[C@@H]3[C@H]1OC(C)=O)C2(C)C,0,0,0,0
CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1,0,1,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NCc4ccncc4)cc(Nc4cccc(Cl)c4)nc23)[nH]1,0,0,0,0
CCC(Oc1ccccc1OC)C(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
Cc1c(Cl)ccc2c1NC(=O)C21NC(CCC(N)=O)C2C(=O)N(c3ccc(Cl)cc3)C(=O)C21,1,0,0,0
CN1CC[C@H](Nc2cc(NCCC(C)(C)C)ncn2)C1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(OC(C)C)cc3)c2=O)cc1,0,0,0,0
O=C(c1cccnc1)N1CCC(Oc2ccc(C(=O)N3CCCCO3)cc2)CC1,0,0,0,0
O=C(NC(=O)c1ccccc1O)c1ccc(C(F)(F)F)cc1,0,1,0,0
CCOC(=O)Cc1csc(NC(=O)c2ccc3ncsc3c2)n1,0,1,0,0
C=CC(=O)N1CCN(c2nnc(-c3ccccc3CC)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1,0,0,1,0
O=S(=O)(/C=C/c1ccccc1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1,0,0,0,0
Cc1nc(NCCCN2CCOCC2)cc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)n1,0,0,0,0
Cc1cccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)c1,0,0,0,0
CCOc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1,0,1,0,0
CCOc1cccc(-c2csc(C3COc4ccccc4O3)n2)c1,0,1,0,0
Cc1cc(SC(CCCc2ccccc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,0,0,0,0
CC1(C)C(C(=O)c2cn(CC3OCCO3)c3ccccc23)C1(C)C,0,0,0,0
COc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1,0,0,0,0
COC(=O)Nc1nnc(-c2ccncc2)s1,0,0,0,0
Cc1cccc(-c2c(-c3cc(C)no3)c(=O)[nH]c3ccc(Cl)cc23)c1,0,0,0,0
CC(C)C(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
CCOc1ccc(S(=O)(=O)N(C(=O)c2ccco2)c2cc3sc(=O)oc3c3ccccc23)cc1,1,0,0,0
COc1cc(OC)cc(C(=O)NCC(=O)OCc2nc3ccccc3s2)c1,0,1,0,0
Cc1cc(-c2cnn(CC(N)=O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
C=CC(=O)NCCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1,0,0,1,0
CC(=O)Nc1ccc(NC=C2N=C(c3ccc(C)cc3)OC2=O)cc1,0,0,0,0
COCCCOc1cccc(C2NC(=S)NC3=C2C(=O)c2ccccc23)n1,0,0,0,0
O=c1nc(CSc2nc3ccccc3s2)[nH]c2cc(Cl)ccc12,0,0,0,0
CC(C)CCn1c(=O)c2ccccc2n2c(CCC(=O)NC3CCN(Cc4ccccc4)CC3)nnc12,1,0,0,0
CC(C)=CC1CC(C)C2CCC(C)c3c(O)c(O)c(C)c1c32,0,0,0,0
Cc1cccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)c1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
OCc1cnn(-c2nc(Nc3ccncc3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,0,0,0,0
C=CCC1(CC(C)O)C(=O)NC(=O)NC1=O,0,0,0,0
O=C(N/N=C/c1ccccn1)c1cc(Br)ccc1O,0,1,0,0
O=C(O)CC(O)CCC(=O)c1cccc(O)c1C(=O)c1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O,0,0,0,0
O=C(c1ccccc1Cl)N1CCC(O)(c2cccnc2)CC1,0,0,0,0
CCCCCS(=O)(=O)CCCCCCCCCCn1c(-c2ccc(O)cc2)c(C)c2cc(O)ccc21,1,0,0,0
Cc1ccccc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O,0,0,0,0
O=C1c2c(cc(CO)cc2C(F)(F)F)[C@@H]2CNCCN12,0,0,0,0
CN(C)CCOc1cc(N2CC3CNCC(C3)C2)cc(F)c1F,0,0,0,0
COc1ccc(NC(=O)O/N=C/c2ccccc2)cc1,0,1,0,0
CCN(CC(=O)NCc1cccs1)C(=O)CCCOc1ccc(C(C)(C)C)cc1,1,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(O)cc3)cc2)CCOCC1,0,0,0,1
CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](C(c2ccccc2)c2ccccc2)NC(=O)C2(CCCC2)NC1=O,0,0,0,0
CCS(=O)(=O)NCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,0,0,0,0
Cc1c(C)c2ccc(OCc3cccc(Cl)c3)cc2oc1=O,0,0,0,0
CC=Cc1ccc(OCCCCOc2ccccc2F)c(OC)c1,0,0,0,0
CC(C)C[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N21,0,0,0,0
O=C(N/N=C/c1ccccn1)c1ccc([N+](=O)[O-])cc1,0,1,0,0
Cc1nc2ncnn2c(C)c1Cc1c(Cl)cccc1Cl,0,0,0,0
CCCCn1c(-c2ccccc2)cnc1SCC(=O)NCCc1ccc(OC)c(OC)c1,1,0,0,0
CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN2CCOCC2)s1,1,0,0,0
CC(C)=CC(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O,0,0,0,0
Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1,0,0,0,0
Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1,0,0,0,0
CCCCc1c(O)n2c(nc3ccccc32)[nH]c1=O,0,0,0,0
C=CCC1(CC=C)CCCN1C(=O)CC1C(=O)NCCN1Cc1ccc(OC)c(OC)c1,1,0,0,0
COc1ccc(C(CNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])N2CCCC2)cc1,0,0,0,0
N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2)o1,0,0,0,0
CCn1c(CNc2ccccc2)nnc1SCc1nc2ccccc2o1,0,0,0,0
CCOc1ccc(OCCCCn2ccnc2)cc1,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cnn(CC)c2)C1,1,0,0,0
CCCCNc1nc(SCCC)nc2c1cnn2CC(Cl)c1ccccc1,0,0,0,0
CC(C)(C)NS(=O)(=O)c1cncc(-c2ccc3nc(N)nn3c2)c1,0,0,0,0
CN(C)C=C(C=O)c1onc(-c2ccccc2Cl)c1C#N,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)NO)C(=O)O)cc1,0,0,0,0
Cc1[nH]nc(-c2ccc(O)cc2O)c1-c1ccc(Br)cc1,0,0,0,0
COc1ccc(/C=C2\Sc3ccc(C(=O)NCc4cccnc4)cc3N(C)C2=O)cc1OC,0,0,0,0
CCCCCCC(C)(C)c1ccc([C@H]2CCC[C@@H](O)C2)c(OC)c1,0,0,0,0
CN1C(=O)C2C(C3CC3)N3C(=O)CN(CCO)C(=O)C3(Cc3ccccc3)C2C1=O,0,0,0,0
NS(=O)(=O)c1ccc(NCc2ccc(O)cc2)cc1,0,0,0,0
O=C1NC(=S)N(C2CC2)C(=O)/C1=C/NNc1cccc2ccccc12,1,0,0,0
COC(=O)N(C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
Oc1cccc(-c2cnc(-c3cccc(O)c3)s2)c1,0,0,0,0
CCCC(=O)OCCNc1cc(SCCC(=O)OC)c2nonc2c1[N+](=O)[O-],0,0,0,0
CC(=O)OC[C@@]1(C)C2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)C3[C@@]2(C)CC[C@@H]1OC(C)=O,0,0,0,0
Fc1ccc(-n2ncc3cc(-c4ccccc4C(F)(F)F)ccc32)cc1,0,0,0,0
CCOC(=O)c1cn2nc(Oc3ccc(NC(C)=O)cc3)ccc2n1,0,0,0,0
CC(C)c1ccc(NC(=S)NNC(=O)c2cccnc2)cc1,0,1,0,0
Cc1ncc(CO)c(C=NNC(=S)Nc2cccc(Cl)c2)c1O,0,0,0,1
C/C=C/CC1(CC)C(=O)NC(=S)NC1=O,0,0,0,0
CCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12,0,0,0,1
CC(c1ccccc1)N1CC(C(=O)N2CCN(c3ccccc3)CC2)CC1=O,1,0,0,0
Cc1cc(C)c(C#N)c(N2CCC(C(N)=O)CC2)n1,0,0,0,0
Cc1nc(NCCc2ccccc2)sc1C(=O)N(C)C,0,0,0,0
CCOc1cc(CC(=O)O)ccc1-c1ccc(F)c2c1CN(C(=O)OCC1CCCC1)CC2,0,0,0,0
Nc1ccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)cc1,0,1,0,0
C#CC1CN(Cc2ccccc2)CC(C#C)N1C,0,0,0,0
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)cc2c1,1,0,0,0
CCOC(=O)CSc1nc(C)c2ccccc2n1,0,0,0,0
CCOC(=O)c1oc2nc(C)c3c(c2c1N)CC(C)(C)OC3,0,0,0,0
O=[N+]([O-])c1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1,0,0,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CN(CC(=O)N(C)C)CC3)ncc1Cl,0,0,0,0
Cc1cccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)CC2c2cccs2)c1,0,0,0,0
Cc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,0,0,0,1
CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)C1,1,0,0,0
O=C1C=CC(=CNn2c(C3CCCCC3)n[nH]c2=S)C(=O)C1,0,0,0,0
COc1ccc(N2C(=O)Cc3cc(OC)c(OC)cc3C2c2ccc(F)cc2)cc1,1,0,0,0
COC(=O)Cn1ncc(N2CC(C)OC(C)C2)c(Cl)c1=O,0,0,0,0
COc1ccc(-c2ccc(C3C4C=CCC(C)C4C(=O)N3Cc3ccccc3)c(F)c2)cc1OC,1,0,0,0
COc1ccc(C2CC(=O)C=C(c3ccc4c(c3)OCCO4)C2)cc1,0,0,0,0
C[C@H](CO)N1C[C@H](C)[C@H](CN(C)S(=O)(=O)c2cccs2)OCc2cnnn2CCCC1=O,0,0,0,0
CCOC(=O)N1CCC(N2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)CC1,0,0,0,0
O=C(NCc1ccc2c(c1)OCO2)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1,1,0,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1cc(C)c(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
CN(C)CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23,0,0,0,0
O=c1cc(-c2ccc(O)c(O)c2)oc2c(C3OC(CO)C(O)C(O)C3O)c(O)cc(O)c12,0,0,0,0
Clc1cc(Sc2ccc(Br)cc2)nnc1-c1ccccc1,1,0,0,0
CNC1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1,0,0,0,0
CCCOc1ccc(C=C2C(=O)ON=C2C)cc1Cl,0,0,0,0
COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1,0,0,0,0
CCOc1cccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1,0,0,0,0
NC(=O)c1cccnc1COc1cc(-c2ccc(CN3CCOCC3)cc2)cc2ncccc12,0,0,0,0
CC(O)CNc1nc(Cl)c(C#N)s1,0,0,0,0
Cc1ccc(-n2ncc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c2C2CCNCC2)c(C)c1,0,0,0,0
O=C(Nc1nc(-c2ccncc2)cs1)c1ccco1,1,0,0,0
COc1ccccc1-n1cc(C2CC3CN(c4ccccc4)C(=O)C34CCCN24)cn1,0,0,0,0
NC(=O)C1(c2ccc(Br)nc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,0,0,0,0
CCN1C(=O)N[C@H](c2ccccc2)C(C(C)=O)=C1C,0,0,0,0
Cc1ccccc1S(=O)(=O)c1ccccc1Cc1c(-c2ccccc2)nn(CC(=O)O)c1C,0,0,0,0
CCc1cccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0,0,0
Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(C(=O)O)CC3)c2c1=O,0,0,0,0
Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2F)cc1,0,0,0,0
CCCOc1ccc(-c2nc(C)cs2)cc1-c1nc2c(c(C)nn2C)c(=O)[nH]1,0,0,0,0
CN(C)C1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,0,0,0,0
O=C1NC(c2ccccc2Br)=N/C1=C\c1ccco1,0,1,0,0
CCC(=O)c1ccccc1OC[C@H](O)CNCCC(c1ccccc1)c1ccccc1,0,0,0,0
COC(=O)N1CCCC2(CCN(c3ccccn3)C2)C1,1,0,0,0
O=S(=O)(/N=C(/Nc1cccc2ccccc12)c1ccccc1)c1cccs1,0,0,0,0
COc1cc(OC)cc(C(=O)NC2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)c1,1,0,0,0
Cc1cc(Nc2ccc(F)cc2C)n2ncnc2n1,0,0,0,0
CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)C(C)=O,0,0,0,0
COCCC(=O)n1ccc2cc(-n3c(-c4cc(C(C)C)c(O)cc4O)n[nH]c3=O)ccc21,0,0,0,0
NC(=O)C1CCN(C(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2ccco2)N3)CC1,0,0,0,0
CCC(C)n1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)n[nH]c1=S,0,0,0,0
O=[N+]([O-])c1cccc2nc(-c3ccccc3)c(-c3ccccc3)nc12,0,0,0,0
COc1ccc(CCN(C)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1OC,1,0,0,0
COc1cc2c(C(=O)NCc3ccccn3)cn(CC(C)C)c(=O)c2cc1OC,1,0,0,0
C/C(NNc1ccc(C(=O)O)cc1)=C1/C=CC(O)=C(O)C1=O,0,0,0,0
O=C1C(NCCNc2c3c(nc4ccccc24)CCCC3)=CC(=O)c2c(O)cccc21,0,0,0,0
c1ccc2c(NCCCc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1,0,0,0,0
CCN1C(=O)CC(c2ccco2)Sc2ccccc21,0,0,0,0
CC1CN(c2nc3ccccc3cc2-c2ccccc2)CC(C)O1,0,0,0,0
CN1C(=O)C(=CNC2CC(C)(C)NC(C)(C)C2)C(=O)N(C)C1=O,0,0,0,0
CCOC(=O)C1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,1,0,0,0
CCc1cc2c(=O)c(Oc3ccccc3)c(C)oc2cc1O,0,0,0,0
O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1ccc(Cl)c(Cl)c1)O3,0,0,0,0
Cc1ccnc(SC2CC(=O)N(c3ccc(C(C)C)cc3)C2=O)n1,0,0,0,0
Cc1cccc(CN(Cc2ccccn2)[C@@H]2CCNC2)c1C,0,0,0,0
COc1ccc(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1,0,0,0,0
COc1cccc2c1Cc1ccn(CC(C)N)c1-2,0,0,0,0
C[C@H](Cc1c[nH]c2c(OS(C)(=O)=O)cccc12)NC[C@H](O)c1cccc(OCc2ccccc2)c1,0,0,0,0
Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccc(C)n4)cc3)cc(=O)c2c1,1,0,0,0
Cc1cc(C)nc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(F)c(Cl)c3)CC2)C(=O)Nc2ccccc21,0,0,0,0
CCc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(OC)c4)nc(C)n3)cc12,0,0,0,0
O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1ccccc1,0,1,0,0
COc1cccc(N(C)c2nccc(N3CC[C@@H](Oc4ccc([C@H](C)NC(C)=O)cc4)C3)n2)c1,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccc(OC(F)(F)F)cc4)C3)c2cc1OC,0,0,0,0
COc1ccc(C#N)cc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O,0,0,0,0
Cc1cccc(/C=C\c2nc(O)c3ccccc3n2)c1,1,0,0,0
O=C(Cn1c(=O)oc2cc(S(=O)(=O)N3CCCC3)ccc21)Nc1ccc(C(F)(F)F)cc1,1,0,0,0
COc1ccc(-c2cc(C(=O)N3CCCC(C(F)(F)F)C3)c3ccccc3n2)cc1OC,1,0,0,0
Cc1ccc(-c2cccc(OC(=O)c3ccccc3F)c2)cc1,0,1,0,0
CCOC(=O)C1CCN(C(=O)c2cccnc2Oc2ccc(Cl)cc2)CC1,1,0,0,0
C=CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3cccs3)c2c1=O,1,0,0,0
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4c(Cl)c[nH]c34)n2)c1,0,0,0,0
Fc1cccc(-c2ncc(-c3cnc(-c4cccnc4)[nH]3)cn2)c1,0,0,0,0
O=C(O)CCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1c([N+](=O)[O-])c(C(=O)Sc2ccc(Br)cc2)nn1C,0,1,0,0
Cc1ccc(S(=O)(=O)N=C(c2ccc(F)cc2)N2CCCCC2)cc1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(=O)(=O)C(C)C)cc1,0,0,0,0
Cc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,0,0,0,0
NCC1CCCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1,0,0,0,0
CC(c1nccs1)N(C)C(=O)c1ccc(OC2CCN(CCc3ccccc3)CC2)cc1,1,0,0,0
O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1ccc(F)cc1-2)N1CCOCC1,0,0,0,1
COc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C=O)CC2,0,0,0,0
Cc1cc(C)nc(N2CC3CCN(C(=O)c4cc(F)ccc4-c4ncccn4)CC32)n1,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)cn2)CC1,0,0,0,1
Cc1ccc(-c2[nH]nc3c2C(c2ccccc2OC(=O)N2CCOCC2)C(C#N)=C(N)O3)cc1,1,0,0,0
CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(-c4ccc(Cl)cc4)nc3c2C1,0,0,0,0
CCN1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1,0,0,0,0
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cn3)cc2)cc(C)c1O,0,0,0,0
Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cnc5ccc(C)cc5c4)CC3)nc2)c1,0,0,0,0
COc1cccc(C(=O)N2CCCC2)c1OCc1nc(-c2ccc(Cl)cc2)no1,0,0,0,0
CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1OCC,0,0,0,0
CCOc1ccc(CN2CCN(Cc3cnc(-c4ccccc4)s3)CC2CCO)cc1,1,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccccn2)c1C,0,1,0,0
Cc1cc(SCc2ccc(Br)cc2)nc(=O)[nH]1,0,0,0,0
CCN1CCCC1CNC(=O)c1ccc(Sc2ccccc2Cl)c([N+](=O)[O-])c1,1,0,0,0
O=C(O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1,0,0,0,0
CCC(CC)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1,1,0,0,0
Cc1cc(C)n(CCc2nc(-c3cccs3)cs2)n1,0,0,0,0
CCOC(=O)c1ccc(N2C(=O)C(=O)C(C(=O)C(C)(C)C)C2c2ccccc2OC)cc1,0,0,0,0
Cn1nnnc1SCCNCc1ccc(F)cc1,0,0,0,0
O=[N+]([O-])c1ccccc1Sc1nccn1Cc1ccccc1,0,0,0,0
O=C(Cc1ccc(CCCCc2cc(F)c(F)cc2F)cc1)NO,0,0,0,0
O=c1[nH]c(O)c2c1c1c3cc(O)ccc3nc1c1cccn12,0,0,0,0
COCCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
O=C1Nc2ccc(NS(=O)(=O)c3ccccc3)cc2/C1=C/c1[nH]c2c(c1CCCN1CCCC1)C(=O)CCC2,0,0,0,0
COC[C@H]1CCCN1Cc1cc2cc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)ccc2o1,0,0,0,0
O=C1NC(=S)N/C1=C/c1ccc(-c2c(Br)cc([N+](=O)[O-])cc2Br)o1,1,0,0,0
COc1ccc(-c2nc3nc(C)cc(=O)n3[nH]2)cc1,0,1,0,0
O=C(C=C1SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O)Nc1ccc(F)cc1,1,0,0,0
Cc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1C,1,0,0,0
c1ccc(CNc2nc(Cc3ccccc3)cc3c2CCNCC3)cc1,0,0,0,0
CN(C)CC1(c2cccc(C(F)(F)F)c2)CCCCC1,0,0,0,0
NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
CCC1C(=O)NCCN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1,0,0,0,0
CC1(C)C(=O)N(C2CCCN(C(N)=O)CC2)CC1COc1ccc(C#N)cn1,0,0,0,0
NS(=O)(=O)OC[C@@H]1C[C@@H](Nc2ncnc3nc(-c4ccccc4Oc4ccccc4)[nH]c23)C[C@@H]1O,0,0,0,0
O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1,0,0,0,0
O=c1c2cccc(Cl)c2nc2n1Cc1ccccc1-2,0,1,0,0
O=C(c1ccccc1Br)N(Cc1ccccc1)c1ccccc1,0,0,0,0
O=C(Nc1nc2ccccc2[nH]1)C1CCC1,0,1,0,0
Cc1ccccc1Nc1ncc(-c2cccc(OC(C)C)c2)c2c(N)n[nH]c12,0,0,0,0
CCOC(=O)N1CCN(c2cc(=O)n(C)c(=O)n2C)CC1,0,0,0,0
CCn1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,0,0,0,0
CC(C)Oc1ccccc1-n1nc(OC2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
NC1(c2ccc(-c3ncc4ccncc4c3-c3ccccc3)cc2)CCC1,0,0,0,0
O=c1c(-c2ccc(O)cc2)coc2cc(OCCC3OCCCO3)ccc12,0,0,0,0
CCOC(=O)/C=C/c1cc(CN2CCN(C(=O)OCC)CC2)cc(C(N)=O)c1,0,0,1,0
CCOc1cccc(/C=N/N2C(=O)CSC2=S)c1O,0,1,0,0
O=C(CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1)NCc1ccccn1,1,0,0,0
O=C(c1nc(-c2ccccc2)no1)N1CCC(Oc2ccc(CN3CCCC3)cc2)CC1,0,0,0,0
N/C(=N\OC(=O)CC1CCCCC1)c1ccccn1,0,1,0,0
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(Cl)c(C(F)(F)F)c2)o1,0,0,0,0
C=CCc1ccccc1OCC1=NCCN1,0,0,0,1
COC1CCC2(CC1)Cc1ccc(-c3cnn(C)c(=O)c3)cc1C21N=C(N)N(C)C1=O,0,0,0,0
Cc1nc(NC(=N)N)nc2c(C)cccc12,0,0,0,0
C[C@@H]1CCCN1CCc1ccc(-c2ccc(CCNC(=O)C(C)(C)C(=O)OC(C)(C)C)cc2)cc1,0,0,0,0
COc1ccc2c(c1)C(=O)N1C3c4cc(Br)ccc4OCC3C(c3ccccc3)C1(C)C(=O)N2,0,0,0,0
OC1CCC(n2[nH]nc3cnc4nccc4c32)CC1,0,0,0,0
Cc1ccccc1-n1c(=O)c2c3c(sc2n2cnnc12)CCCC3,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(F)c(F)c1,0,0,0,0
CCSC1=NCCN1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
CN1CCN(c2ccc(Nc3ncc4nc(Nc5ccccc5)n(C5CC5)c4n3)cc2)CC1,0,0,0,0
CCCc1ncnc2c1ncn2[C@@H]1C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O,0,0,0,0
C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)OC[C@H]2C1,0,0,1,0
CC#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)COCC2,0,0,1,0
O=C(O)[C@@H](Cc1ccccc1)Oc1ccc(-c2ccc(-c3ccsc3Cc3ccccc3)cc2)cc1,0,0,0,0
CN1CCC(c2c(-c3ccccc3)[nH]c3ccccc23)CC1,0,0,0,0
COc1cc2c(N3CCN(C(=S)Nc4ccncc4)CC3)ncnc2cc1OCCN1CCCCC1,0,0,0,0
Cc1nn2c(NO)cc(C3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C,0,0,0,0
Cc1ccc(C=CC(=O)N2CC(=O)Nc3ccccc32)o1,1,0,0,0
CCn1nc(C)cc1C(=O)N1CCCC(Nc2ccc(F)c(F)c2)C1,0,0,0,0
CS(=O)(=O)Nc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc2ccccc2n1,1,1,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12,0,0,1,0
CCCCOc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1OC,0,0,0,0
COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2,0,0,0,0
COc1ccc(F)c(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Nc1c(NCc2ccccc2)c(=O)c1=O,0,0,0,0
c1ccc(-c2cc(-c3nnc4n3N=C(c3ccc5ccccc5c3)CS4)n[nH]2)cc1,1,0,0,0
CO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(OCCCN(C)C)nc5F)cc4c32)C1,0,0,0,0
CC1=NNC2=NC3=C(C(=O)CC(C)(C)C3)C(c3ccc(F)cc3)C12,0,0,0,0
CCOc1cc(/C=N/NC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O,1,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2cccc(F)c2)c2ccc(F)c(Cl)c2)CC1,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)=O)cc2Cl)cc1,0,0,0,0
CN(C)CCCn1c(=O)c(C#N)nn(C2CCCCCC2)c1=O,0,0,0,0
Cc1ccc(NC2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)cc1C,0,0,0,0
CCc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1,0,0,0,0
COc1cccc(/C=C/c2ccccn2)c1O,0,1,0,0
NC(=O)C(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
CC1=CN2C(=N)C(=Cc3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1,1,0,0,0
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2c(CN2CCCCC2)c1O,0,1,0,0
COc1ccc(CCn2c(C)nc3ccccc3c2=O)cc1OC,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(F)c2)c1,0,0,0,0
O=c1[nH]c2ccc(S(=O)(=O)N3CCCCC3)cc2[nH]1,0,0,0,0
CCOC(=O)N1CCN(C(=O)C2CCC(=O)N(CCCN3CCCC3=O)C2)CC1,0,0,0,0
NC1(c2ccccc2Cl)CCCCC1=O,0,0,0,0
COc1cc(-n2c(=O)c3ccccc3n(Cc3cccc(C)c3)c2=O)cc(OC)c1OC,0,0,0,0
CC#CCn1c(N2CCC[C@@H](N)C2)nc2ccn(C)c2c1=O,0,0,0,0
CC(C)(C)NC(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1,0,1,0,0
C[C@H](Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1,0,0,0,0
CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC23CC4CC(CC(C4)C2)C3)cc1,0,0,0,0
Cc1cccc(C)c1NC(=S)NN=Cc1ccc(OCCC(C)C)cc1,0,0,0,0
CC[C@@H](CN1CCCS1(=O)=O)N1C(=O)[C@@H](Cc2cccc(=O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
CCOC(=O)c1cn(Cc2ccccc2OC)c2sc(-c3ccc(OC)cc3)c(CN(C)C)c2c1=O,0,0,0,0
NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccoc3)cn2CCN2CCC2)CC1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CC4(COC4)C3)cc(Cl)c12)C(=O)NCC(F)(F)F,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(N)c1ccccc1-2,0,0,0,0
CCN1C(=O)c2c(nc(C#Cc3ccccc3)n2Cc2ccccc2)N2C[C@@H](Cc3ccccc3)N=C12,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc2n3CCN(Cc3ccccc3)C2)cc1,1,0,0,0
CCOc1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
N#Cc1c(N)n(Cc2ccccc2)c2ccc(Oc3ccc(NC(=O)CN)cc3)cc12,0,0,0,0
Cc1ccccc1CNc1ccc(-c2cc3c(cc2C)OC(F)(F)O3)cn1,0,0,0,0
COc1ccc(NC(=O)N(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)CC2CCCO2)cc1,1,0,0,0
COCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@@H](C(=O)O)C3)c2)C(F)(F)F)ccc1Cl,0,0,0,0
O=C1CCc2cc(S(=O)(=O)Nc3ccc(F)cc3)cc3c2N1CC3,0,0,0,0
CCCC(=O)Nc1nnc(SCc2cc(=O)c3cc(C)ccc3[nH]2)s1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2ccc(NC(N)=O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)CSSC[C@@H](C(=O)N[C@H](Cc2ccc(O)cc2)C(N)=O)NC1=O,0,0,0,1
COCCCNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1,0,0,0,0
C[C@H](CO)Nc1cc(NS(=O)(=O)c2ccc(C#N)cc2)nc(SCc2ccccc2)n1,0,0,0,0
N#Cc1cnc2c(NC3CC3)nc(Nc3cc(C(F)F)cc(N4CCC(C5COC5)CC4)c3Cl)nn12,0,0,0,0
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCC3)nnc1C1COc2ccccc2O1,1,0,0,0
CCOc1ccc2c(=O)c(Oc3ccccc3OCC)coc2c1,0,0,0,0
COc1cccc2oc(-c3cn4nc(SC)sc4n3)nc12,0,0,0,0
COc1ccc(CCN=C(N)NS(=O)(=O)c2cc(F)ccc2F)cc1,0,0,0,0
CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
CC(=O)CC1OC(=O)C(Br)=C1NCc1ccccc1,0,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1C(=O)N(C)C,0,0,0,0
COC(=O)c1ccc(CC(=O)c2nc3ccccc3s2)cc1,1,1,0,0
Cn1c(=O)n(C2CCN(C(=O)CO)CC2)c2c3nc(-c4cccc5[nH]ncc45)ccc3ncc21,0,0,0,0
O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2)cc1,0,0,0,0
O=C1C=CC(=Cc2c(-c3ccccc3)[nH]n(-c3ccccc3)c2=O)C=C1O,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccsc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
O=C(c1ccc(-c2ccccn2)s1)C(F)(F)F,0,0,0,0
COc1ccc(OC)c(Nc2nc(NCCO)c3ccccc3n2)c1,0,0,0,0
CCCc1[nH]n(-c2ccc(F)cc2)c(=O)c1C=NCC1CCCO1,0,0,0,0
O=C(c1ccc(OC2CCN(CC=Cc3ccccc3)CC2)cc1)N1CCCC1,1,0,0,0
CCc1ccc(C2=NN=C(Nc3cccc(S(=O)(=O)N(C)C)c3)SC2)cc1,1,0,0,0
COc1cc(CC2C(=O)N(C)C(=O)N(C)C2=O)ccc1OCc1ccccc1,0,0,0,0
CC1(C)CC(O)C(C(O)c2cccc([N+](=O)[O-])c2)C(C)(C)N1,0,0,0,0
NS(=O)(=O)[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,0,0,0,1
O=C1N[C@@](c2ccc(OCCCC(F)(F)F)cc2F)(C(F)(F)F)CC(c2ncc(C3CC3)s2)=C1C(=O)NS(=O)(=O)C1CC1,0,0,0,0
c1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1,0,0,0,0
O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F,0,0,0,0
COc1cc(C2CCN(C)CC2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
COc1cnc(O[C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)c2ccccc12,0,0,0,0
c1ccc2c(c1)CCCN2Cc1nnc2n1CCCCC2,0,0,0,0
CNS(=O)(=O)c1cncc(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
COc1ccccc1-c1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1,0,0,0,0
CC1C(=O)NC(=O)C12Cc1cc3ccc(CN4CCC(Cn5ccnc5)CC4)nc3cc1C2,0,0,0,0
O=C(O)c1ccc(N/N=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1,0,1,0,0
Cc1cc(-c2nc(C(=O)c3ccc(F)c(O)c3)ccc2-c2cccc(O)c2F)ccc1O,0,0,0,0
CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)c(OC)c(OC)c2)n1,1,0,0,0
Cc1ccc(-c2ccc(C(=O)N(C3CC3)C3CCN(C(=O)OC(C)(C)C)CC3)cc2)nn1,0,0,0,0
COC(=O)c1ccccc1S(=O)(=O)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C1CCCCC1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)NC(Cn2ccc3ccccc32)C(F)(F)F)c(C)c1,0,0,0,0
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4cc(Cl)ccc34)nn2)CC1,0,0,0,0
c1ccc(CNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1,0,0,0,0
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OC)C[C@@H]2C(=O)NO)cc1,0,0,0,1
Cc1nc2sc3c(c2c(=O)n1N)CCC3,0,0,0,0
Cn1c(=O)c2c(-c3ccccc3Br)n(CCc3ccccc3)cc2n(C)c1=O,0,0,0,0
COc1ccc(C(NC(C)=O)c2ccc3cccnc3c2O)c(OC)c1,0,0,0,0
NCCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,0,0,0,0
CCN1C(=S)NC(c2cccs2)C(C(=O)OC)=C1C,0,0,0,0
O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCN(c2ccccc2F)CC1,0,0,0,0
CCC1=C[C@@H]2CN(C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,0,0,0,1
O=C(O[C@@H]1CC2CC[N+]1(CCCOc1ccccc1)CC2)C(c1ccccc1)c1ccccc1,0,0,0,0
CCOc1ccc2c(c1)[C@@H](c1cc(OC)c(OC)c(OC)c1)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
Cc1ccc(-n2ncc(Cl)c(Oc3ccc(OC(F)(F)F)cc3)c2=O)cc1,0,0,0,0
Cc1cnccc1-c1nccnc1OC1CC(Nc2nc3ccccc3s2)C1,0,0,0,0
Nc1ncnc2nc(SCCC(=O)O)[nH]c12,0,0,0,0
N#Cc1ccc(C(O)(c2ccc(Cl)s2)C(F)(F)F)cc1C(F)(F)F,0,0,0,0
O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)c([N+](=O)[O-])c1,0,0,0,1
Cc1nc(C)c(C(=O)O)s1,0,0,0,0
O=C1NN=C(CSc2n[nH]c(=S)s2)CS1,0,0,0,0
COc1ccc(-c2csc(-c3ccc(O)cc3)n2)cc1,0,1,0,0
Cn1cnc2cc(-c3ccc(C4CCNCC4)c(F)c3)nc(NC3CC3)c2c1=O,0,0,0,0
CN(C)CCOc1ccc(Nc2cc(-n3cnc4cccnc43)ncn2)nc1,0,0,0,0
Cc1cc(=O)[nH]c2c3c(nn12)CN([C@H]1CO[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3,0,0,0,0
O=C(C1=CC(c2ccc(Br)cc2)CC(OCCCCO)O1)N1CCN(Cc2ccccc2)CC1,1,0,0,0
O=C(O)COc1c(-c2nn[nH]n2)sc(-c2cccc(NC3CCN(S(=O)(=O)Cc4ccccc4)CC3)c2)c1Br,0,0,0,0
O=C1NC(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C(=O)c4ccccc4)CC32)C(=O)N1,0,0,0,0
O=C(O)c1sccc1S(=O)(=O)N1CCN(c2ccc(C(F)(F)F)cn2)CC1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(O)cc3F)c2)s1,0,0,0,0
Cc1ccccc1CNC(=O)c1ccc2c(c1)c(C)c(C)n2C,1,0,0,0
CN(Cc1ccccc1)C(=O)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2,1,0,0,0
N#CC(c1ccccc1)c1cnn(Cc2cccc3ccccc23)c(=O)c1Cl,0,0,0,0
CCOc1ccc(C2C(C#N)=C(N)Oc3[nH]nc(C)c32)cc1OC(=O)C1CC1,1,0,0,0
CN(C)c1ccc(NC=C2C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1,0,0,0,0
O=C1C[C@H](NC(=O)C2(C(=O)NNC(=O)c3ccc4ccccc4c3)CCCC2)C(O)O1,0,0,0,0
Cc1c(Nc2c(C#N)cncc2-c2ccc(OCCN3CCN(CCO)CC3)cc2)ccc2[nH]ccc12,0,0,0,0
CCC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,0,0,0,0
c1cnc(N2CCN(c3ncc4c(n3)CCNC4)CC2)nc1,0,0,0,0
CON=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1,0,0,0,0
Cc1nn2cc(-c3ccc(N)cc3)nc2s1,0,1,0,0
CCOc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccccc3OC)CC2)cc1,1,0,0,0
CC(C)(C)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1ccc(-n2nc(C)c3sc(C)nc3c2=O)cc1,0,0,0,0
CNc1nc(NCCC2CCN(C)C2)nc2ccc(Cl)cc12,0,0,0,0
O=C(O)CCNC(=O)c1ccc(CN(c2ccc3c(c2)Cc2ccccc2-3)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1,0,0,0,0
CC(C)(CC(=O)O)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CC1=CC(=O)N(c2ccc(C)cc2)C1c1ccc(Cl)cc1,1,0,0,0
COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)S2,0,0,0,0
Cc1ccc(-c2cc3cc(C#N)c(C#N)cc3n2O)cc1,0,0,0,0
Cc1cccc(N2CC(=O)N(c3cccc(C)c3)CC2=O)c1,0,0,0,0
CC(C)(C)c1ccc(OCCCC(=O)N2CCOCC2)cc1,1,0,0,0
CNCC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)cc1,0,0,0,0
Cc1ccc2c3c(ccc(NCc4ccc(S(=O)(=O)c5ccccc5)cc4)c13)NC2=O,0,0,0,0
Cn1cc(-c2cc3c(-c4cc(N5CC[S+]([O-])CC5)ncn4)n[nH]c3cc2F)cn1,0,0,0,0
Cc1ccccc1N1CCN(c2ccc(NC(=O)/C=C\C(=O)O)cc2)CC1,0,1,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(C)C,0,1,0,0
CSC(=S)N1CC2(CCCCC2)CSC1=Nc1cccc2c1CCCN2C,0,0,0,0
c1cc(CN2CCOCC2)nc(CN2CCOCC2)c1,0,0,0,0
COc1cccc(CNc2ccc(C)c(Cl)c2)c1,0,0,0,0
CSc1sc(C(=N)N)cc1S(=O)(=O)c1ccc2c(c1)ncn2Cc1ccccn1,0,0,0,0
O=C(O)CNC(=O)c1ccc(N2CCOCC2)cc1[N+](=O)[O-],0,0,0,0
CN(C)CCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12,0,0,0,0
CC1(C)C[C@](O)(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(-c4ccc(F)cc4)c3)s2)CC[C@H]1C(=O)O,0,0,0,0
CCCCN(C)CCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1,0,1,0,0
CCOC(=O)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)CC1,0,0,0,0
COc1cc(NC(=O)C2=CC(c3ccc(F)cc3)=NS(=O)(=O)N2C)cc(OC)c1OC,0,1,0,0
CC(/C=N/NC(=S)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccccc1,0,0,0,0
COc1ccc(N=c2oc3c(OC)cccc3cc2C(=O)NCc2ccco2)cc1OC,1,0,0,0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](C=O)[C@@H](O)[C@H]1O,0,0,0,0
CNC1CN(c2nc(N)nc3cc(C#N)cnc23)C1,0,0,0,0
Cc1cccc2cc(C(c3nnnn3Cc3ccc4c(c3)OCO4)N3CCCC3)c(=O)[nH]c12,1,0,0,0
CCOc1cc(Cl)cnc1Nc1cccc(C)n1,0,0,0,0
Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)Cc2c(C)noc2C)cc1,1,0,0,0
CCS(=O)(=O)N1CCN(Cc2ccccc2OC)CC1,0,0,0,0
COc1ccc(-c2csc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)n2)cc1,1,1,0,0
CCc1ccccc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
COC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1Cl,1,0,0,0
CCNC(=O)N1C(=O)N(c2cc(C(F)(F)F)ccn2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1S(C)(=O)=O,0,0,0,0
OCCCCOc1cc(CNc2nc3ccccc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1,0,0,0,0
COCC1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)c(OC)c3)oc2c1,1,0,0,0
Oc1cc2c(cc1C(c1ccc3c(c1)OCO3)N1CCCCC1)OCO2,0,0,1,0
CCOc1ccc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)cc1OC,0,0,0,1
Nc1ncnc2c1c(-c1ccc3nc(Cc4cccs4)[nH]c3c1)nn2C1CCC(N2CCOCC2)CC1,0,0,0,1
CC(C)CC(c1ccc(Cl)c(Cl)c1)C1CCCCN1C,0,0,0,0
O=C(O)C(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)OC21,0,0,0,0
C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@@]43C)C1CCC2[C@]1(C)CCC(=O)O1,1,0,0,0
CO/N=C/c1c(N)ncnc1Nc1ccc2c(c1)CCN2Cc1cccc(F)c1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,0,1,0,0
Cc1c([C@@H](O)CN2CCC3(CC2)C(=O)N(C2=CC(=O)OC2)c2ccccc23)ccc2c1COC2=O,0,0,0,0
CCN(CC)CCOc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(C#N)c[nH]c2n1,0,0,0,0
CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(C(F)(F)F)cc43)ccc2=O)c1,0,0,0,0
N[C@H]1Cn2c(nc3cnccc32)C[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
CC(=O)N[C@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,0,0,0,0
O=C1C[C@H]2O[C@H](COCc3ccccc3)C3=C(C(=O)c4ccccc4C3=O)[C@H]2O1,0,0,0,0
COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(N)cc2)cc1,1,1,0,0
S=c1[nH]nc(Cn2nnc3ccccc32)n1-c1ccc(Cl)cc1,0,0,0,0
COC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
C/C(=C1/SC(N)=NC1=O)c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1,0,0,0,0
CC(C)Oc1ccc(C2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1,0,0,0,0
CC1=C(C)C(O)N(Cc2ccccc2)C1=O,0,0,0,0
COc1nn2cc(-c3cc4c(OCc5ccccc5)cccc4o3)nc2s1,0,0,0,0
CCOC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0,0,0
C=CCn1c(SCc2ccc(C(=O)NCCO)cc2)nc2sc(C)c(C)c2c1=O,1,0,0,0
CN1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2)CC1,0,1,0,0
Nc1ccccc1Nc1ccc2c(c1)OCc1ccc(OCCN3CCOCC3)cc1C2=O,0,0,0,0
CO[P@]1(=O)OC[C@@H]2COC(=O)C2=C(C)O1,0,0,0,0
COc1ncnc(OC)c1C1CCCC(=O)N1Cc1cccc(-c2csc(C)n2)c1,0,0,0,0
C=CCC1(N(C(C)=O)c2ccccc2C)CCCCC1,0,0,0,0
Fc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
CC(=O)NC(C)Cc1ccc(C#Cc2ccc(C(=O)N3CCCCC3)cc2)cc1,0,0,0,0
CSCN1C(=O)CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C1=O,0,0,0,0
CC1CN=C(Nc2ccc(N(C)C)cc2)S1,0,0,0,0
Cc1nc2c(C)cc(Cl)cc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,0,0,0,0
c1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1,0,0,0,0
CS(=O)(=O)c1ccc(N2CCOCC2)c(S(C)(=O)=O)c1,0,0,0,0
Cn1cc(-c2ccc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)cn1,0,0,0,0
O=C1C2=C3OC(CCCCN4C(=O)c5ccccc5C4=O)(Cc4c3ccc3ccccc43)OC2C(=O)c2ccccc21,0,0,0,0
COc1ncc(-c2c(C)cc(-c3n[nH]c(=O)o3)cc2C)cc1-c1cnc(N2CC(F)C2)nc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C,0,0,0,0
Cc1ccc(NC(S)=NN=Cc2ccc([N+](=O)[O-])s2)cc1,1,0,0,0
CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1(C)C,0,0,0,0
COc1cccc(CNS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)c1,0,0,0,0
COc1cc(C(=S)N2CCCC2)ccc1OCC(N)=O,0,0,0,0
CCC(F)(F)c1cc2c(cn1)C(C)(C)CN2C(=O)CN1C[C@H](C)NC[C@H]1CN1CCCC1=O,0,0,0,0
CC(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3F)CC2)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4[nH]3)CC2)cc1C,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3Cl)cccc2c1,0,0,0,0
O=C(/C=C/c1cccn(Cc2cccc(Br)c2)c1=O)NO,0,0,0,1
CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1C,0,0,0,0
Cc1ccc(C(=O)Cc2cc3ccccc3oc2=O)c(C)c1,0,1,0,0
Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)cc31)CCN1CCCCC21,0,0,0,0
Cc1c(-c2ccc(Cl)c(Cl)c2)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
CC(C)(CO)C1Cc2[nH]c(=O)c3ccccc3c2CO1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C(F)(F)F)c1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(OC(C)(C)C)cc21,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5cnc(C(F)(F)F)nc5)cc4=O)cc31)CCNCC2,0,0,0,0
O=C(O)CC[C@H]1CCc2cc(-c3cc(OC4CCC4)ncc3F)ccc2O1,0,0,0,0
CCOC(=O)COc1ccc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,0,0,0,0
Oc1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2cccnc2)c1,0,0,0,0
Cc1c[nH]c(=O)n(CCCN2CCN(c3ccccc3OCC(F)(F)F)CC2)c1=O,0,0,0,0
Oc1ccc(C2C(c3ccccc3)=NN=C(c3ccccc3F)N2O)c(O)c1,0,0,0,0
O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(C(F)(F)F)cc3)cs2)cc1,0,0,0,0
Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c(C)c1,0,0,0,0
Clc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,0,0,0,0
CSC(=S)N1CC2(CCCCC2)CSC1=Nc1cccc2ccccc12,0,0,0,0
Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1,0,0,0,0
CNC(Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(C)cc1C)C2)c1ccccc1,0,0,0,0
NC(=O)Nc1cccc2c1C(=O)c1c(-c3csc(Cl)c3)n[nH]c1-2,0,0,0,1
O=C(NCCO)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,1,0,0
CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1,0,1,0,0
CC(=O)Nc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1,0,0,0,0
CCCS(=O)(=O)N1CCN=C1SCc1cccc(F)c1,0,0,0,0
O=C(Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1,0,0,0,1
COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)c(C)c3)c2=O)cc1,0,0,0,0
COc1ccc(NC(=S)NCCCCn2ccnc2)cc1OC,0,0,0,0
C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCCC3,1,0,0,0
Cc1nnc(SCC(=O)NCCOc2ccc(Cl)cc2)n1-c1ccccc1,1,0,0,0
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1)C(=O)[C@@]1(C)CO1,0,0,0,1
Cc1cc(CC2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5nccnc45)cc3)CC2)sn1,0,0,0,0
O=C1NCc2cc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C4(CC4)C3)ccc2O1,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N(C)Cc1ccccc1,0,0,0,0
CCCNC1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1,0,0,0,0
CN(C)C(=O)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1,0,0,0,0
Cc1nc(C(=O)N2CC3CN(c4cnc5ccccc5n4)C3C2)c(-c2ccccc2F)s1,0,0,0,0
CCN(CC)C(=O)Cn1cc(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc21,0,0,0,0
CC(C)N(CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccc(F)cc3)c1C2=O)C(C)C,0,0,0,0
CCOc1cc2c(-c3cccc(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(CC(C)C)c1,0,0,0,0
COc1ccccc1-c1c(C)nn2c(N3CCN(c4ccccc4)CC3)cc(C)nc12,0,0,0,0
Clc1cnc2nc1NCc1cc(Br)cc(c1)OCCCc1cccc(c1)N2,0,0,0,1
CCCCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1,0,0,0,0
N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCCC3)n2)c1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
CC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,0,1,0,0
O=C(c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)N1CCCC1,0,0,0,0
COc1cc(C2c3c([nH]c(=O)[nH]c3=O)Nc3ccc4ccccc4c32)cc(OC)c1OC,0,0,0,1
CCCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc12,1,0,0,0
Cc1ccc(CN2CCN(C3CCN(C(=O)c4ccc(C)cc4)CC3)C(=O)C2=O)cc1,0,0,0,0
O=C1c2ccccc2C(=O)N1Cc1ccc(-c2cc(=O)cc(N3CCOCC3)o2)cc1,0,0,0,0
CCN(CC)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1,0,0,0,0
CCNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0,0,0
O=C(O)c1ccc(CNc2ccccc2C(=O)O)cc1,0,0,0,0
COc1ccc(-c2cc(C(=O)NCC3CCCO3)c3cc(C)ccc3n2)cc1,0,1,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(C(C)C)[nH]c1Cl,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Br)cc12,0,0,1,0
Cc1[nH]cnc1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,0,0,0,0
COc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
CN(C)c1ccc(/C=N/OC(=O)Nc2ccccc2)cc1,0,1,0,0
Cc1ccc(Sc2nnc(-c3ccccc3)cc2C#N)cc1,1,0,0,0
CCOC(=O)Cc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1,0,0,0,0
CC(=O)Nc1cccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1,0,0,0,0
Cc1cc(=O)cc(C)n1-c1ccc(Cl)c(Cl)c1,0,0,0,0
CCCC(=O)N/C(N)=N/c1nc(C)c2cc(C)ccc2n1,0,1,0,0
O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1ccccc1,0,0,0,0
Cc1cc(OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c(C)c1O,0,0,0,0
N#C[C@@H]1CCN(Cc2ccc(F)cn2)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CS(=O)(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1,0,0,0,0
Cc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(N3CCCCC3)cc2)cc1,0,0,0,0
COc1ccc(N2C(=O)CC(c3ccccc3)C2=O)cc1,0,0,0,0
CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(C)cc4)cnc3c2c1-c1ccc(OC)cc1,0,0,0,0
COc1c(C(=O)Nc2ccc(Cc3ccncc3)cc2)ccc2ccccc12,0,1,0,0
COc1ccc(C2=NN(CC(=O)NCC(OC)OC)C(=O)CC2)cc1,0,0,0,0
O=c1[nH][nH]c(-c2ccncc2)c1N=Nc1ccccc1Cl,0,0,0,0
Cc1c(C(=O)O)sc2ncnc(N3CCCCC3C)c12,0,0,0,0
CC#CCN1c2ccccc2C23CC(C(=O)OC)N(C(=O)OCC)C2=NC(C(=O)OC)=C(C(=O)OC)C13,1,0,0,0
O=C(O)[C@H](CCN1C(=O)c2ccccc2C1=O)Oc1ccc(-c2ccc(-c3c(Cc4ccccc4)oc4ccccc34)cc2)cc1,0,0,0,0
O=S(=O)(/N=C(\c1ccc(Cl)cc1)N1CCOCC1)c1ccccc1,0,0,0,0
CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)N(C)C)C1,0,0,0,0
Cc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)cc3)CC2)c1C,1,0,0,0
Cc1cccc(C(=O)Nc2cccc(C(=O)N/N=C/c3ccc4c(c3)OCO4)c2)c1,0,1,0,0
Nc1c(-c2cccs2)cnc2c(-c3ccc(F)cc3)cnn12,0,1,0,0
COc1ccc(CN=Cc2c(O)[nH]c(=O)c3ccc(-c4ccccc4)cc23)cc1O,0,0,0,0
CCCCOc1ccc(C2=Nc3cc(CC)ccc3N=C(c3cccs3)N2)cc1,1,0,0,0
CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3OCC)cc(=O)n12,0,0,0,0
Clc1ccccc1CN1CCN(N=Cc2ccncc2)CC1,1,0,0,0
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccc(OC(C)C)cc3)ccc21,0,0,0,0
CS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2ccccc2)cc1,0,0,0,0
CCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Nc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1,0,0,0,0
CC12CCC(=O)N1c1ccccc1C(=O)N2c1ccccc1,0,0,0,0
O=C(O)CSc1cc(Cl)c2nonc2c1[N+](=O)[O-],0,0,1,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2ccc(OC)cc2O)cc1,0,0,0,0
Cc1ccccc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3cc(N4CCOCC4)ccn3)c2)ccc1OC1CCOCC1,0,0,0,0
CC(C)n1cc2ccc(-c3n[nH]c4ccnc(OC5CCOCC5)c34)cc2n1,0,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1OC,0,0,0,0
COC(=O)N1CCCc2cc(S(=O)(=O)NCc3ccccc3)ccc21,0,0,0,0
C[C@]1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCN(C2CCNC2=O)C1,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2cc(F)ccc2o1,0,0,0,1
FC(F)(F)c1nnc2c(Sc3ccc(Cl)cc3)nc3ccccc3n12,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(CCO)CC5)c34)c(Cl)c2)n1,0,0,0,0
Fc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,0,0,0,0
CCCc1cc(=O)nc(SCc2ccccc2)[nH]1,0,0,0,0
Fc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,0,0,0,0
O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1cccnc1,0,0,0,0
CCOc1ccc(-c2c(=O)n(OCc3nc4ccccc4[nH]3)c3ccccc3[n+]2O)cc1,0,0,0,0
CC(=O)Nc1nc(C)c(-c2csc(Nc3cccnc3F)n2)s1,0,0,0,0
Cc1ccccc1-c1ccccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1,0,0,0,0
CCc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,0,0,0,0
C=CCN1C(=O)NC(=O)C(C(C)=NNC(=S)Nc2ccccc2)C1=O,0,0,0,0
CCN(CC)CCCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,1,0,0,0
CCOC(=O)c1ccc(N2CN=C3SCC(=O)N3C2)cc1,0,0,0,0
Cc1ccc(C(c2nnnn2CCc2ccccc2)N2CCC(C)CC2)cc1,0,0,0,0
Cn1cc(Nc2cnccc2C(=O)O)c2cccnc21,0,0,0,0
CN(C)CCNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
N[C@H]1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(Cl)c5)cc34)cn2)C1,0,0,0,0
CC(C)C[C@@H]1NCCOc2ccccc2/C=C\CNC(=O)[C@H](Cc2cccs2)NC(=O)C2(CCCC2)NC1=O,0,0,0,0
CC(C)C[C@H](CO)Nc1nc(S[C@@H](C)c2cc(Cl)ccn2)nc2[nH]c(=O)sc12,0,0,0,0
Cn1cc(-c2ccc(-c3cnc(N)c4ccc(C(=O)N5CCNCC5)nc34)cc2)cn1,0,0,0,0
COc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2ccc(N3CCCCS3(=O)=O)cc2)CC1,1,0,0,0
O=C1OC(CO)(COC(=O)c2ccc(-c3ccccc3)cc2)C/C1=C/c1ccc(-c2ccccc2)cc1,0,0,0,0
CCCc1nc(C)c2cnc3ccc(OC)nc3n12,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0,0,0,0
CCOc1ccc(N2C(=O)C(=Cc3cc(OC)c(OC)c(OC)c3)N(CC(=O)OC)C2=S)cc1,1,0,0,0
O=C(Nc1cc(F)ccc1F)C1CCN(c2nc3ccccc3n3cccc23)CC1,1,0,0,0
CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2Cc2ccncc2)C1,0,0,0,0
CCCCN=C(NC#N)N1CC(N(CC)C(=O)CO)C(c2ccc(Cl)cc2)=N1,0,0,0,0
COc1ccc(NC2=NC(=S)N(c3ccccc3C)C23CCCCC3)cc1,0,0,0,0
C[C@H]1CCCN1C1CCC(c2ccc(N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)C3=O)c(F)c2)CC1,0,0,0,0
O=C1C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CCCN1C1(c2ccccc2)CCC(N2CCC3(CCOC3)CC2)CC1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3Oc3ccnc(N)c3)cc2F)cn1,0,0,0,0
CCCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
CCOC(=O)COc1ccc(Br)cc1/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-],0,0,0,0
COc1ccc2c3ccnc4ccc(=O)n(c2c1)c43,0,0,0,0
O=C(O[C@@H]1CC2CC3C[C@H](C1)N2CC3=O)c1c[nH]c2ccccc12,0,0,0,0
O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1C(F)(F)F,1,0,0,0
O=C(O)CC(C(=O)O)C1c2ccccc2-c2ccccc21,0,0,0,0
CN1CCC(c2cc3c(-c4cc(NCc5ccncc5)ccc4F)ccnc3[nH]2)CC1,0,0,0,0
N#Cc1ccc(OC2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)cc3)cs2)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NCCc2ccccc2/C=C\CNC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C1=O,0,0,0,0
CC(=O)N1CCC(C2=NNC(=O)C2N=Nc2ccc(Cl)cc2)CC1,0,0,0,0
CCNC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
COc1ccc(-c2csc(NC(=O)c3ccoc3C)n2)cc1,0,1,0,0
CCc1cc2c(=O)n(CC(C)C)cnc2s1,0,0,0,0
COC(=O)c1cc(OC)c(OC)cc1-n1cnc2cc(OC)c(OC)cc2c1=O,0,0,0,0
NC(=O)c1nn(-c2cccc(F)c2)c2c1CCc1[nH]ncc1-2,0,0,0,0
Cc1nc(C)c(-c2csc(Nc3ccc(C(=O)N4C5CCC4CC(=O)C5)cn3)n2)s1,0,0,0,0
COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CCN(C)C4)CC2)c(F)c1,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(NCc4cccc(-n5cccn5)c4)nc23)[nH]1,0,0,0,0
c1ccc2c(-c3ccc(C(C4CC4)n4ccnc4)cn3)cccc2c1,0,0,0,0
Cc1cccc(NC=C2C(=O)CC(C)(C)CC2=O)n1,0,0,0,0
O=C(O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1,0,0,0,0
Cc1ccccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1,0,0,0,0
Fc1ccc(NC(=S)NN=Cc2ccc(F)c(F)c2)cc1,0,0,0,0
c1ccc(N2CCN(c3nc4cc5c(cc4s3)OCCO5)CC2)cc1,1,0,0,0
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(OC)c3CN1CC2,0,0,0,0
CCOP(=O)(N=C(NC(C)c1ccccc1)NC(C)c1ccccc1)OCC,1,0,0,0
C=CC(=O)N1CCCC(Nc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3[nH]cnc23)C1,0,0,1,0
COc1ccc(N2C(=S)C(C#N)C(=O)NC2c2ccc(OC)c(OC)c2)cc1,0,0,0,0
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccccn5)n4)c3CO)ncc2c1,0,0,0,0
CN(C)CCCCn1c(N)c(-c2nc3ccccc3[nH]2)c2nc(C#N)c(C#N)nc21,0,0,0,0
Cc1ncccc1Cn1nnnc1-c1cccc(Cl)c1Cl,0,0,0,0
O=C(Nc1ccccn1)c1ccc(C(=O)c2ccccc2)cc1,0,1,0,0
NC(=O)CC[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)c2cc([N+](=O)[O-])cc(F)c2OCC[C@@H](C(N)=O)NC1=O,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC(C)C(=O)O)c(OC)c1,0,0,0,0
COc1ccccc1NC(=S)NC1CCCCCCCCCCC1,0,0,0,0
COC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12,1,0,0,0
CNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C,0,0,0,0
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)s2)c1,0,1,0,0
CC[C@@H](C1CCCCO1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
CC(C)c1ccc(/C=C/c2nc(NCCCN(C)C)c3cc(F)ccc3n2)cc1,0,0,1,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2C1CCN(C(=O)C#CCO)CC1,0,0,0,0
CC(C)NC(=O)CC1Nc2c3ccccc3nc(=S)n2C1=O,0,0,0,0
O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(F)(F)Cl)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
O=C1CSc2cc(Nc3cc(C(F)(F)F)ccn3)ccc2N1,0,0,0,0
CN1CCN(Cc2nnc3c4cc(-c5ccccc5)c(-c5ccc(CN6CCC(c7nc(-c8ccccn8)n[nH]7)CC6)cc5)nc4ccn23)CC1,0,0,0,0
O=C(O)c1ccc(Nc2ncc(C(F)(F)F)c(Oc3cccc4c3C(=O)CC4)n2)cc1,0,0,0,0
CC(C)C1Cc2c(sc3c2c(=O)n(Cc2ccccc2)c2nncn32)CO1,1,0,0,0
CN(C)CCc1cccc2[nH]c(-c3nc(CC4CCCCC4)no3)cc12,0,0,0,0
CCOc1ccc(N2CC(=O)N(c3ccc(OCC)cc3)CC2=O)cc1,0,0,0,0
N/C(Cn1cncn1)=N\OC(=O)c1ccc(Cl)cc1,0,0,0,0
CC(C)c1cc(-c2ccccc2)cc(C(C)C)[n+]1Cc1ccc(S(N)(=O)=O)cc1,0,0,0,0
COc1ccc(OC)c(Nc2nc3ccccc3n3c(C)nnc23)c1,0,0,0,0
CC(=O)Nc1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1,0,0,0,0
COC(=O)c1cnccc1N1CCC(COc2ccc3c(c2)CN(C(=N)N)CC3)CC1,0,0,0,0
O=C(c1ccc(O)c(Cl)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1,1,0,0,0
Clc1ccccc1Nc1ccc2c(-c3ccccc3)n[nH]c2c1,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccc2O)C1,0,0,0,0
Cc1ccc(Nc2nc3ccccc3n3cnnc23)cc1C,0,0,0,0
CCCCCOc1ccc(N2C(=O)C(C)CNC2=S)cc1,0,0,0,0
COc1ccc(C(=O)ON=C(C)c2cccs2)cc1,0,0,0,0
CCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,0,0,0,0
Nc1ncnn2ccc(C(=O)Nc3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,0,0,0,1
FC(F)(F)c1cccc(-n2cc(-c3ccccc3NCc3ccnc4ccccc34)nn2)c1,0,0,0,0
CCn1c(SC)nc2c([nH]c3ccccc32)c1=O,0,0,0,0
NCc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1,0,0,0,0
Cc1csc(Nc2ncc(Cl)cc2OCc2ccccc2)n1,0,0,0,0
O=C(c1cnccn1)N1CCC2(CCN(Cc3nccs3)CC2)CC1,0,0,0,0
Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1cccc(O)c1,0,0,0,0
CN1C(=O)c2ccccc2C(C(=O)O)C1c1cccc(F)c1,0,0,0,0
CCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)ncnc3c2)CC1,0,0,0,0
O=C1CCC2(Cc3ccccc3)Cc3c(ccc4[nH]ncc34)C2=C1c1ccc(OCCN2CCCCC2)cc1,0,0,0,0
CCC(SC1NC2NNC(C)C2C(N)N1c1cc(Cl)ccc1C)C(=O)N1CCOCC1,1,0,0,0
CC(C)c1ccc2occ(-c3nn[nH]n3)c(=O)c2c1,0,0,0,0
COc1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0,0,0
CCCCOCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,0,0,0,0
C[C@@H](O)[C@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,0
CC(C)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1,0,0,0,0
CC(=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccn1,1,0,0,0
COc1ccc(CCNC(=O)c2cn(C)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3c2=O)cc1OC,1,0,0,0
O=c1c2oc3ccccc3c2n(Cc2ccccc2Cl)c(=O)n1Cc1ccc2c(c1)OCO2,0,0,0,0
O=C(Nc1cccc2c1CCCC2c1cnc[nH]1)C(F)(F)F,0,0,0,0
C[C@@H]1CN(CCc2ccncc2)CCN1S(=O)(=O)c1ccc(C2(CN3CCOCC3)CC2)cc1,0,0,0,0
COc1cccc(-c2csc(N3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)n2)c1,1,0,0,0
Cc1ccnc(C(=O)c2[nH]c3cc(Cl)c(F)cc3c2CC(=O)O)c1,0,0,0,0
N#C[C@@H]1C[C@@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1,0,0,0,0
S=c1[nH]nc(-c2cccc(Br)c2)[nH]1,0,0,0,0
O=C(c1cc(COc2ccc3ncccc3c2)on1)N1CCCCCC1,0,0,0,0
COC(=O)c1c(N)sc(C(=O)NCCc2ccccc2)c1C,0,1,0,0
CC(C)=Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1nc2c([N+](=O)[O-])c(Cl)c(Cl)cc2n1S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc(Nc2nc(Nc3cc4c(cc3OC)CCN(CC(=O)N(C)C)CC4)ncc2Cl)c(OC)c1,0,0,0,0
CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)c(Cl)c1Cl,0,1,0,0
CN(C)CCCc1nc2c(sc3ccc(Cl)cc32)c(=O)[nH]1,0,0,0,0
CNc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
NC(=O)C1(N2CCC(n3c(=O)c(N4CC5CNCC5C4)nc4ccccc43)CC2)CCCCCCC1,0,0,0,0
O=C1c2ccccc2C(=O)c2[nH]cnc21,0,0,0,0
COc1ccc(OC)c(/C=N/NC(=O)CC2C(=O)NN=C2C)c1,1,0,0,0
O=C(c1ccccc1F)N1CCC(O)(c2cccnc2)CC1,0,0,0,0
NC(=O)c1ccc(=O)n(Cc2ccc(F)c(F)c2)c1,0,0,0,0
Cc1ccccc1-c1nc(CN2CCSCC2)c(C)o1,0,0,0,0
O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCCC1,0,1,0,0
CCc1nnc(NC(=O)c2ccc3ccccc3n2)s1,0,1,0,0
N[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCCC3)cc(N3CCOCC3)c2)n1,0,0,0,0
O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1F)(c1ccc(F)cc1F)O2)N1CCCCC1,0,0,0,0
Cc1ccc(C(=O)O)c(Oc2nc(Oc3cccc(-c4cccc(CN)c4)c3)c(F)cc2F)c1,0,0,0,0
Clc1ccc(CN2CCC(c3cc(-c4ccc(Cl)cc4)no3)CC2)cc1,0,0,0,0
CCc1ccccc1-n1nnc(-c2nc(-c3ccccc3F)no2)c1C,0,1,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4cccc(OC)c4)cc(C)c3CC[C@@H]12,0,0,1,0
COc1ccc(OC)c(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1,1,0,0,0
CN(C)CCCNc1ccc2ncn3c4ccccc4c(=O)c1c23,0,0,0,0
CCOc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0,0,0,0
Nc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12,0,0,0,0
COc1cc(C2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc2c1OCO2,0,0,0,0
COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1,1,0,0,0
CN[C@@H]1c2cc3ccn(S(=O)(=O)c4ccccc4)c3cc2[C@H]1CCO,0,0,0,0
C=CC(=O)NCCCCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1,0,0,1,0
Cc1cccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)c1,0,0,0,0
CC=Cc1ccc(OCCCCOc2ccc(OC)cc2)c(OC)c1,0,0,0,0
COc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1,1,0,0,0
O=C(c1cc(-c2ccccc2)on1)N1CCCc2ccccc21,0,1,0,0
CN(CCNC(=O)c1ccc(CS(=O)(=O)c2c(Cl)cccc2Cl)o1)CCc1ccccc1,1,0,0,0
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
CC(C)c1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1,0,0,0,0
COc1ccc(NC(=O)N(Cc2cc3ccc(OC)cc3[nH]c2=O)CC2CCCO2)cc1,1,0,0,0
Cc1cc(C)n(CCc2nc(-c3ccc(F)cc3)cs2)n1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
COc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,0,0,0,0
O=C1C(=O)N(Cc2ccc(OCCOCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0,0,0,0
CC(C)(C)OC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1,0,0,0,0
COc1ccc(N2C(=O)CS/C2=N\C(=S)Nc2ccccc2)cc1,0,0,0,0
CCC(C)(C)C1CCC(=NNc2nc3ccccc3[nH]2)CC1,0,1,0,0
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4)cc3)cc12,0,0,0,0
CSc1nc(-c2ccnc(NC3CCC(O)CC3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
COC1(C)C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1,0,0,0,0
Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)s2)on1,0,0,0,0
CCSc1nc(-c2ccccc2F)nc2c1Cc1c(CO)cnc(C)c1O2,0,0,0,0
CCCCc1nc2cn[nH]c(=O)c2n1Cc1ccc(-c2ccccc2C(=O)O)cc1,0,0,0,0
Cc1ccc(O)c(CNc2ccc(S(=O)(=O)Nc3nccs3)cc2)c1,0,0,0,0
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O,0,0,0,0
CS(=O)(=O)Nc1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)c1,0,0,0,0
O=C1NCCn2nc(-c3ccncc3)cc21,0,0,0,0
CCN(CC)c1ccc(-c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2-c2ccc(NC)cc2)cc1,0,0,0,0
[C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)C2C1c1cc2c(C)[nH]nc2cc1F,0,0,0,0
O=C1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21,0,0,0,0
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@H](F)[C@H]3O)[C@@H](O)[C@H]2O)n1,0,0,0,0
O=C(NCCN1CCN(C(=O)c2cccc(Br)c2)CC1)C(=O)NCc1ccccc1,1,0,0,0
O=C(Nc1ccccc1)C1Cc2ccccc2CN1C(=O)c1ccco1,0,1,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(C)C(=O)CC[C@H]3[C@H]1C5,0,0,0,0
O=C(O)C(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(OC)cc3)CC2)n[nH]1,0,0,0,0
C/C(=N\N=C(N)N)c1c[nH]c2ccc(NS(=O)(=O)c3ccccc3)cc12,0,0,0,0
Cc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)c(Cl)c1,1,0,0,0
O=c1cc(C=Cc2cccs2)[nH]c2ccccc12,0,0,0,0
Cc1ccc(S(=O)(=O)NC(=O)NN2CC3CCCC3C2)cc1,0,0,0,0
O=c1oc2cc(OCc3ccccc3)ccc2c2c1CCC2,0,0,0,0
COc1ccc(C2=NNC(=O)CC2C)cc1OC,0,0,0,1
O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc(-c2nc3ccccc3o2)c1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)Nc3cccc(C#N)c3)c2)on1,0,0,0,0
COc1cc(C(=O)N(CCCN2CCOCC2)C/C(C)=C/c2ccccc2)cc(OC)c1OC,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1cccc(Cl)c1,0,0,0,0
CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C#N)C(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
COc1cc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccc(C)cc4)C(=O)C32)ccc1O,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(CCN(C)C)[nH]c1C,0,0,0,0
O=S(=O)(c1ccc2c(c1)OCCO2)N1CCN(S(=O)(=O)c2ccccn2)CC1,0,0,0,0
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCC4)CC3)c2)n[nH]c(=O)c1C,0,0,0,0
CCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
O=C1C[C@H](C(=O)Nc2cc(-c3cccc(OC(F)(F)F)c3)n(CCc3ccccc3)n2)CN1,0,0,0,0
CC(C)CN(Cc1ccc(NC2CCOCC2)cc1)S(=O)(=O)Cc1ccccc1,0,0,0,0
CCCCCCCCCCCC(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1,0,0,0,0
O=C1CN(S(=O)(=O)c2cc(C(=O)O)ccc2Cl)c2ccccc2N1,1,0,0,0
COC(=O)c1c(S(=O)(=O)N2CCOCC2)c(C)n(C)c1C,0,0,0,0
CSCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)N1CCOCC1,1,0,1,0
COCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)co1,0,0,0,0
O=C(/C=C/c1ccccc1)Nc1ccc2c(c1)OCCO2,0,1,0,0
COC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CC[C@H](F)C4)nn3C)nn12,0,0,0,0
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc3c(cc1c2CN1CCN(C)CC1)OCO3,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(C(F)(F)F)c2oc3c(c2c1)CNCC3,0,0,0,0
Cc1ccc2ncnc(NCCC(=O)O)c2c1,0,0,0,0
CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)S(C)(=O)=O)c1C,0,0,0,0
C[C@@H](COc1ccc(Cl)cc1)Oc1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12,0,0,0,0
CC(CO)NC(=O)c1cnc(N2CCC(N3C(=O)OCc4ccccc43)CC2)nc1C(F)(F)F,0,0,0,0
COc1ccc(CCN=CC2=C(O)CCCC2=O)cc1OC,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC(=O)N(Cc1cccnc1)C2=O,0,0,0,0
CCc1ccccc1-n1c(C)nc2ccccc2c1=O,0,0,0,0
Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(F)cc3F)ccc12,0,1,0,0
c1ccc(CCc2cc3ccccc3[nH]2)cc1,0,0,0,0
COC(=O)CSc1nc(=O)c(NC(=O)c2ccc(OC)c(OC)c2)c(N)[nH]1,1,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,1
C=C(COC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O)C1Cc2cc(C(C)=O)ccc2O1,0,0,1,0
CC(C)(C)c1ccc(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1,0,1,0,0
Cn1cnc2cc(-c3ccc(N4CCOCC4)nc3)nc(NCCCN)c2c1=O,0,0,0,0
O=C(c1ccc(F)cc1)C1CCN([C@H]2CCN(Cc3ccccc3)C[C@@H]2O)CC1,0,0,0,0
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(Cl)c([N+](=O)[O-])c3)[nH]c2c1,0,0,0,1
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,1,0,0,0
CC(C)(C)OC(=O)C(C)(C)O/N=C(\C(=O)O)c1csc(N)n1,0,0,0,0
CC[C@@H](Nc1ccc(C)c(CNCC(C)(C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1,0,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(NCc2ccc(C(=O)O)cc2)c(C(F)(F)F)n1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1,0,0,0,0
O=C(N/N=C/C1CC=CCC1)c1ccc(O)cc1O,0,1,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(F)(F)CC6)cc5c4)n3c2)cn1,0,0,0,0
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1O[C@@H]1C[C@H]2OC[C@H](OC)[C@H]2O1,0,0,0,1
O=S(=O)(NCCc1cccs1)c1ccc(Br)cc1,0,0,0,0
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cn(-c2ccccc2)nc1-c1ccccc1,1,1,0,0
Cc1ccc(Cl)c(N(CC#N)c2cc(Nc3ccc(OC[C@@H](O)CN(C)C)cc3)ncn2)c1,0,0,0,0
CCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OC)cc1C,0,0,0,0
CC(=O)c1ccc(S(=O)(=O)N(CCCO)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1,0,0,0,0
CCN(N=Cc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,0,0,0,0
CCn1c(-c2cc(Br)ccc2O)n[nH]c1=S,0,0,0,0
N#Cc1nn(C2CCCCCC2)c(=O)n(CCCN2CCOCC2)c1=O,0,0,0,0
CCCN(CCC)C1Cc2cccc3nc(SC)n(c23)C1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(OC)cc2)nc2ccc(F)cc12,0,0,1,0
Cc1csc(-c2cc(-c3ccncc3)c(-c3ccncc3)n(C)c2=O)n1,0,0,0,1
Cc1cccc(C(=O)Nc2ccc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)c1,1,0,0,0
Cc1nc2cc3c(cc2n1CC(C)(C)C)C1CNCC3C1,0,0,0,0
C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cccc(OC)c3)ccc12,0,0,1,0
Oc1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1,0,0,0,0
CCOc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)cc1,0,1,0,0
CC(=O)N1N=C(c2ccncc2)OC12CCCCC2,0,0,0,0
C[C@@H](/C=C/[N+](=O)[O-])NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0,0,1,0
Oc1ccc(Nc2nc3ccccc3n3cnnc23)cc1,0,0,0,0
COc1ccc(COCC(O)CN(Cc2ccco2)Cc2ccccc2O)cc1,0,0,0,0
CCN(CC)C(=O)[C@@]1(c2sc(Cl)c(Cl)c2Cl)C[C@H]1CN,0,0,0,0
CCOC(=O)C1=C(COC(=O)CC(C)c2ccccc2)NC(=O)NC1C,0,0,0,0
CC1c2nnn(-c3ncco3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,0,0,0,0
CC[C@@H]1/C=C(\C)C[C@H](C)C[C@H](OC)[C@H]2O[C@@](O)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@H](/C(C)=C/[C@@H]3CC[C@@H](O)[C@H](OC)C3)[C@H](C)/C=C/C1=O)[C@H](C)C[C@@H]2OC,0,0,0,0
CC(=O)NS(=O)(=O)c1ccc(N=NN2CCCCCC2)cc1,0,0,0,0
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CNC3)cc12,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1N1CCCCC1,0,0,0,0
CN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cc(Br)cc12,0,0,1,0
Cc1ccc(OCC(=O)N2CCc3ccccc32)cc1,0,1,0,0
O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br)N1CCCc2ccccc21,1,0,0,0
CC(C)C(=O)O[C@]1(CCN(C)CCCc2nc3ccccc3[nH]2)C[C@@H]2CCC[C@H]1c1ccccc12,0,0,0,0
Cc1cc(=O)[nH]c(=S)n1-c1ccccc1,0,0,0,0
O=C(NNC(=O)C1CC2CCC1C2)c1sc2ccccc2c1Cl,0,1,0,0
COc1cc(Br)cc(CN2CCN(C=O)CC2)c1O,0,0,0,0
Cc1cccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)c1,1,0,0,0
NS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1,1,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1ccc(N)cc1,0,0,0,0
COc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1,0,0,0,0
O=C(O)C(=O)O.c1ccc(CCNc2nc(-c3ccccn3)cs2)cc1,0,1,0,0
COc1cc(-c2nc3cnccn3c2Nc2ccc(C)cc2)ccc1O,0,0,0,0
N#CC(=Cc1cccnc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,0,1,0
O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1ccccc1Cl,0,0,0,0
c1ncc(CCCCCN2CCCCCC2)[nH]1,0,0,0,0
CCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O,0,0,0,0
CC1=NNC2=NC3=C(C(=O)CC(C)(C)C3)C(c3ccc(N(C)C)cc3)C12,0,0,0,0
CC1CCN(CC(C)OC(=O)c2ccc3c(c2)OCCO3)CC1,1,0,0,0
Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3ccccc3N3CCOCC3)cc2)no1,0,0,0,0
Cn1c(=O)c2c(-c3ccc(Br)cc3)n(CCc3ccccc3)cc2n(C)c1=O,1,0,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H]2CC[C@@H](C1)O2,0,0,0,1
N#Cc1cc(-c2ccnc(Nc3ccc(NC(=O)CO)nc3)n2)cnc1N1CC[C@H](F)C1,0,0,0,0
CN(C)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
O=C1OC[C@@H](c2ccc(C(F)(F)F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1,0,0,0,0
Cc1cc(Nc2cccc(F)c2)n2c(n1)nc1ccccc12,0,0,0,0
CCCN(CCC)CCc1cccc2c1CC(=O)N2,0,0,0,0
COC(=O)C1c2ccccc2-c2ccccc21,0,0,0,0
Cn1cc(-c2cc(OCCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
C=CCNC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1,0,0,0,0
CC(C)[C@H]1COC(=O)N1c1nc(N[C@@H](C)c2ccc(-c3cnn(C)c3)cc2F)ncc1F,0,0,0,0
CCOc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
COc1ccc(C=C2CCOC2=O)cc1,0,0,0,0
O=C(Nc1cccc(NC(=O)c2sc3ccccc3c2Cl)c1)c1ccco1,0,1,0,0
Cc1sc2ncn(CC(=O)N3CCN(c4ccc(Cl)cc4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1,1,0,0,0
Cc1cccc(C)c1N1C[C@@](CN(C)C2CCC2)(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](C)C1=O,0,0,0,0
Nc1ncc([C@H]2CCC(=O)NC2)nc1-c1ccc(C(=O)N[C@H](CO)c2cc(F)cc(I)c2)c(F)c1,0,0,0,0
O=C1NNc2c3c(nc4c(Br)ccc1c24)CCCC3,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C#Cc1cc(Cl)ccc1OCC(=O)O,0,0,0,0
Cc1ccc2nc(NC(=O)CN3C(=O)C4CC=CCC4C3=O)sc2c1,0,1,0,0
COc1ccc(-c2cc(F)cc(Cl)c2)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3cnccn3)ccc21,0,0,0,0
CN(Cc1ccccc1CNc1cccn2nc(Nc3ccc(OCCN4CCCC4)cc3)nc12)S(C)(=O)=O,0,0,0,0
CCOC(=O)C1(Cc2ccc(OC)cc2)CCN(C(=O)CC2CCC(=O)N2)CC1,0,0,0,0
C=CCSc1nc(O)c2ccccc2n1,1,0,0,0
CCC(=O)N1CCN=C1SCc1ccccc1,0,0,0,0
O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccc([N+](=O)[O-])o1,1,0,0,0
Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cn2)cn1,0,0,0,0
Cc1cccc(C(=O)OC(C)CN2CCCC2)c1,0,0,0,0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1,0,0,0,0
CCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
Cc1nc(CNC(=O)c2cc(COc3ccc(F)cc3Cl)on2)cs1,0,1,0,0
COc1cc(-c2cnn(C(C)(C)CC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CN(CCO)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1-c1ccn(C)n1,0,0,0,0
CN(CCc1cnn(C)c1)Cc1cn[nH]c1-c1ccc(-c2ccccc2)cc1,0,0,0,0
O=C1OC(c2ccc(Br)cc2)=NC1=CNc1ccc(Cl)c([N+](=O)[O-])c1,1,0,0,0
Cc1nn(-c2cc(Cl)cc(CCCN)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
Cc1[nH]nc2ncc(C(=O)c3ccccc3O)cc12,1,0,0,0
COc1cccc(Nc2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)c1,0,0,0,0
Cn1nc(-c2ccc(C(=O)N3CCC[C@H]3CN3CCCC3)cc2)ccc1=O,0,0,0,0
Cc1cc(-n2nc(C)cc2C)n2ncc(-c3ccccc3)c2n1,0,0,0,0
Cc1cc2c(-c3nnc(SCCCN4CCc5ccc(-c6cc(C)nn6C)cc5CC4)n3C)cccc2cn1,0,0,0,0
COc1cccc(CNc2ccc(F)c(Cl)c2)c1O,0,0,0,0
CCCCC(=O)N/N=C/c1c(O)n(C2CC2)c(=S)[nH]c1=O,0,0,0,0
O=[N+]([O-])c1ccc(N2N=C(c3ccc(O)cc3)CC2c2ccc(F)cc2)cc1,0,0,0,0
Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1,1,0,0,0
CSc1nc(-c2ccc(F)cc2C)c2c(C#N)c[nH]c2n1,0,0,0,0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0
COc1ccccc1-c1[se]c2ccccc2c1I,1,0,0,0
O=C1NCC2c3c(cccc31)CCN2C(=O)Nc1ccccc1,0,0,0,0
COc1ccc(Cl)cc1S(=O)(=O)N1CCCC(C(=O)N2CCCC2)C1,1,0,0,0
COc1cc(CNCCN2CCOCC2)ccc1OCc1c(Cl)cccc1Cl,0,0,0,0
CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1,0,0,0,0
O=C(NCc1ccco1)c1sc(=S)n2c1[nH]c(=O)c1ccccc12,0,0,0,1
O=C(NC1CCCCC1)c1cc2nc3c(c(C(F)(F)F)n2n1)CCCC3,1,1,0,0
Oc1ccc2c(c1)CCCNCCc1ccccc1C2,0,0,0,0
COC(=O)N1CC[C@H](Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)C1,0,0,0,0
CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)coc2c1OC(C)=O,0,0,0,1
Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C4CC4)cnc4[nH]ccc34)nc(N3CCCC(C)(C)C3)c2C1,0,0,0,0
CCOc1ccc(C(=O)N(CC)CC)cc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
CCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1,0,0,0,0
Cc1cc2c(cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1)OCC(=O)N2,0,0,0,0
O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccccc1,0,1,0,0
CC12C(=O)Nc3cc(Cl)ccc3C(=O)N1C1c3ccccc3OCC1C2c1ccccc1,0,0,0,0
Cc1ccnc(NC(=O)C(C)c2cccc(C(=O)c3ccccc3)c2)c1,0,0,0,0
Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1Cc1ccco1,0,1,0,0
Cn1cncc1C(=O)N1CCCN(C(=O)c2cc(Cc3n[nH]c(=O)c4c3CCCC4)ccc2F)CC1,0,0,0,0
CCn1c(N2CCN(C(=S)NCCc3ccccc3)CC2)nc2ccccc21,0,0,0,0
O=C1Nc2ccc(Br)cc2/C1=C/C(=O)c1ccccc1,0,0,0,0
COc1cccnc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O,0,0,0,0
COc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnc(Cl)c1,0,0,0,0
CCN(CC)CCSc1nc(O)c(Cc2ccccc2)c(=O)n1-c1ccccc1,0,0,0,0
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C(=O)CCNC(=O)OC(C)(C)C)c2)c(O)cc1O,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)C(C)(C)F)CC2)c1F,0,0,0,0
CCOC(=O)CSc1nnc(NC(=O)c2ccc(F)cc2)[nH]1,1,0,0,0
CCn1c2ccccc2c2nnc(N3CCN(c4cc(C)ccc4C)CC3)nc21,0,0,0,0
CCCCCCCCCCCCOc1ccc(C[S+]([O-])c2ccccc2C(=O)O)nc1/C=C/C(=O)O,0,0,0,0
COc1ccc(OCC(=O)NNc2nc3ccccc3s2)cc1,1,0,0,0
Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2ccc(Br)c(C)c2)cc1,1,0,0,0
COc1ccc(-n2c(SCC#N)nc3ccccc3c2=O)cc1,0,0,0,0
CN1C(=O)N(c2ccccc2)C(Nc2nncs2)C1(C)C,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccc(C#N)cc2)CC1,0,0,0,0
CC(=O)OCC(=O)N1CC[C@H](n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)[C@@H](F)C1,0,0,0,0
COCCOc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)Oc1ccccc1)CC2,0,0,0,0
CC/C(=N/OC(=O)c1cccc(C)c1)C(=O)c1cccs1,0,0,0,0
O=C(NCc1ccc2c(c1)OCO2)Oc1ccccc1,1,0,0,0
CCCCCCCCc1ccc(OCC(=O)Cn2nnnc2Cc2ccccc2)cc1,0,0,1,0
O=c1[nH]c(-[n+]2ccccc2)c(C=NNC(=S)Nc2ccccc2)s1,0,0,0,0
O=C(O)CC1CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1,0,0,0,0
CCCC(CC)C1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
CCOC1OC(C(COCc2ccccc2)OCc2ccccc2)C(OCc2ccccc2)C1O,1,0,0,0
CN(C)c1ccc(/C=C2\CCCc3c2nc2ccccc2c3C(=O)O)cc1,0,1,0,0
Cc1ccc(S(=O)(=O)NCCc2nc3ccccc3[nH]2)cc1,0,0,0,0
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
CC(C)NC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1,0,0,0,0
COc1cccc(Cc2c[nH]c3ncccc23)c1,0,0,1,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cc(CO)ccc3-4)cc2)C1,0,0,0,0
CCCc1ccc(N2C(=O)C(=O)C(C(=O)C(C)(C)C)C2c2ccccc2OC)cc1,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCC(C)C1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
CCOc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1,0,0,0,0
O=C(OCC1COc2ccccc2O1)c1ccccc1F,0,1,0,0
Cc1cccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2ccccc2)c1,0,0,0,0
CCN(CC)CCCNC(=O)CCc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
O=C(CN1CCN(C(=O)COc2cccc(F)c2)CC1)Nc1ccc(Cl)c(C(F)(F)F)c1,1,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1C(C)c1ccc(S(C)(=O)=O)cc1,0,0,0,0
NC(=O)C1CCN(C(=O)CC2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1,1,0,0,0
CN1C(=O)C2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1CC21Cc2cnncc2C1,0,0,0,0
CNC(=O)CCCc1cccc2c1SCCO2,0,0,0,0
CC(CO)(CO)C(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(C(N)=O)c1)C2)CC1CCC1,0,0,0,0
CCOC(=O)Cn1nc(/C=C/c2ccc(OC)cc2)ccc1=O,0,0,0,0
CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCOC)ccc2c1=O,0,0,0,0
O=C1/C(=C/N(C(=O)c2ccco2)c2ccc(Br)cc2)Sc2ccccc21,0,1,0,0
OCCN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCC(O)C(F)(F)F)ncc23)ccn1,0,0,0,0
CCOC(=O)CSc1cnc(NC(C)=O)s1,0,0,0,0
Cc1ncc(CC(=O)n2cc(C(=O)c3cc(Cl)ccc3O)cn2)s1,0,0,0,0
CC(C)N(CC#CCC1(O)c2ccccc2-c2ccccc21)CCO,0,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4c5ccnc(Cl)c5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl.Cl,0,1,0,0
COc1cccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)c1OC,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(N)=O)cc1[N+](=O)[O-],0,0,0,0
Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3,0,0,0,0
O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CC3)N1,0,0,0,0
CCN(C(=O)C(C)C)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1,0,0,0,0
Cc1ccccc1C1CCc2cc(Oc3nc(C)c(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1,0,0,0,0
O=C(NCC1CCCO1)c1cc(-c2ccccc2)nc2ccc(Br)cc12,0,1,0,0
CCn1nc(C)c(CN2CCC(Oc3ccc(C(=O)N4CCCC4)cc3)CC2)c1C,0,0,0,0
COc1cc2c(cc1O)[C@@H]1Cc3c(OC)ccc(OC)c3CN1CC2,0,0,0,0
O=C(O)c1cc(=O)nc(SCc2ccccc2)[nH]1,0,0,0,0
Cn1cnc2c(C#N)nc(-c3ccc(CCO)c(C(F)(F)F)c3)cc21,0,0,0,0
CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNc2ccccn2)C1=O,0,0,0,0
O=S(=O)(Nc1cscn1)c1cc(Cl)c(Oc2ccc(C(F)(F)F)cc2-c2cncc(CO)c2)cc1F,0,0,0,0
O=C(c1ccco1)c1nc(C(F)(F)F)nc2ccsc12,0,0,0,0
CCOCCC1(Oc2ccc(Oc3ccc(-n4ccnc4)cc3)cc2)C(=O)NC(=O)C(N)C1=O,0,0,0,0
COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1,0,0,0,0
CCNC(=O)c1cc2c(-c3cc(OCCN4CCCC4)c(Cl)cc3Cl)nc(N)nc2s1,0,0,0,0
Cc1ccc(OC(C)C(=O)N2CC(=O)Nc3ccccc32)c(C)c1,0,0,0,0
Cc1ccc(N2C(=O)C3C(C2=O)C2c4ccccc4C=NN2C3C(=O)c2ccc(Cl)cc2)cc1,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCN(C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccccc1O)NC2,0,0,0,0
Cc1ccccc1SCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,1,0,0,0
Cc1cc(C(=O)OCC(=O)c2ccc(Br)s2)c(C)o1,0,0,0,0
CCOC(=O)c1c(CN2CCC(C)CC2)n(C)c2cc(Br)c(OC)cc12,0,0,0,0
Cc1ccc(-c2noc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3N)n2)cc1,0,0,0,0
O=C1CN(C(=O)COC(=O)c2ccc[n+](O)c2)c2ccccc2N1,0,0,0,0
CCN(CC)CCCNC(=O)CSc1nc2nc(C)c(Cc3c(F)cccc3Cl)c(C)n2n1,0,0,0,0
CC(=O)CN1CN(CC2CCCCC2)C2(CCN(C)CC2)C1=O,0,0,0,0
Cc1ccc(S(=O)(=O)c2ccccc2Cc2c(-c3ccccc3)nn(CC(=O)O)c2C)cc1C,0,0,0,0
CN1c2ccccc2N(C)C1c1ccc2c(c1)OCO2,1,0,0,0
CCOC(=O)Cc1csc(NS(C)(=O)=O)n1,0,0,0,0
CCOC(=O)c1c(NC(=S)NC)sc2c1CCCC2,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,1
Oc1ccc(-c2cc(-c3cccc(O)c3)on2)cc1,0,0,0,0
COc1cc(C2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2CCO)cc(OC)c1OC,0,0,0,0
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C#CC(C)(C)O,0,0,0,0
N[C@H]1CCN(C(=O)c2cc(-c3cc(=NC4CC4)n4nc/c(=C\c5[nH]c(=O)[nH]c5O)c4n3)cs2)C1,0,0,0,0
CCCC(=O)Nc1nnc(C2CCCO2)s1,0,0,0,0
COc1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)c(OC)n1,0,0,0,0
CCCCNC(=S)N1CCn2cccc2C1c1cccnc1,0,0,0,0
CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc([N+](=O)[O-])c2)C(=O)O)cc1,0,0,0,0
Cc1cc(C)cc(NC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)c1,1,0,0,0
O=[N+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
CCC(c1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCc4ccccc4)cc3F)ccc2C1,0,0,0,0
Nc1ccccc1N/C=C1\C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,0,0,0,0
CC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1,0,0,0,0
Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OCC(F)(F)F)N(C(C)C)C(=O)CC2(C)C,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3c(C)noc3C)c(=O)n(C)n2)nc1,0,0,0,0
CNc1nc(Cl)nc2c1ncn2[C@@H]1SCC(O)[C@@H]1O,0,0,0,0
COc1ccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)cc1,0,0,0,0
C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Nc4ccc(F)cc4)CC3)n2)C[C@H](C)N1,0,0,0,0
CN(C)CCCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F,0,0,0,0
COCCNc1cc(NC(=O)c2cn(CC3CC3)c3ccc(C=O)nc23)ncc1C#N,0,0,1,0
CC(C)Oc1ccc(Nc2nc(=O)n(Cc3ccc(C(=O)O)cc3)c(=O)n2Cc2ccc(Cl)cc2)cc1F,0,0,0,0
Cc1noc(C=Cc2ccccc2F)c1S(=O)(=O)N1CCC(C(=O)N2CCN(C)CC2)CC1,1,0,0,0
CCCCOc1ccc(CN2CCN(CC)CC2)cc1,0,0,0,0
N#Cc1ccc(-c2cncc3c2CCCC3O)cc1,0,0,0,0
O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1,0,1,0,0
CSCCC(Nc1ncnc2ccc(Br)cc12)C(=O)O.Cl,0,0,0,0
CCOCCCNC(=O)c1ccc2c(=O)n(CCCOCC)c(=S)[nH]c2c1,0,0,0,0
Cc1cc(C(=O)O)cc(N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)n1,0,0,0,0
Cc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NCc2ccco2)c2ccncc2)c1,1,0,0,0
CCOC(=O)C(CC)Sc1ncnc2nc[nH]c12,0,0,0,0
CNc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
O=S(=O)(c1ccc(Cl)s1)N1CCN(C/C=C/c2ccccc2)CC1,0,0,0,0
C=CS(=O)(=O)Nc1ccc(Cc2ccc3ccccc3c2)c(OC2CCNCC2)c1,0,0,1,0
Cc1cccc(N2C(=O)c3ccccc3C2=O)n1,0,0,0,0
CN(C)C=Nc1ncc(C(=O)OC(C)(C)C)s1,0,0,0,0
Cc1c(-c2ccc(-c3ccccc3)cc2)[nH]c2ccc(F)cc2c1=O,0,0,0,0
C[C@H](Oc1cc(-c2ccc3ccccc3n2)cc2ncccc12)[C@@H]1CNC(=O)C1,0,0,0,0
COc1cc(-c2ccc3ncc([S+](C)[O-])c(NC4CCC(N)CC4)c3c2)cc(Cl)c1O,0,0,0,0
O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)ccc1Cl,1,1,0,0
COc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1OC,0,1,0,0
CCNC1=NN=C(c2cc(C)n(Cc3ccco3)c2C)CS1,1,0,0,0
COc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC#CCn1c(N2CCCNCC2)c(C#N)c2ncn(Cc3nccc4ccccc34)c(=O)c21,0,0,0,0
COc1nn2cc(-c3ccc(F)c(C(F)(F)F)c3)nc2s1,0,0,0,0
c1nc(NC2=NC[C@@]3(CN4CCC3CC4)O2)c2sccc2n1,0,0,0,0
COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)on2)c1,0,0,0,0
O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1,1,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)Cc1ccccc1C)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
CC(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(C)cc3)C2)cc1,0,0,0,0
COc1cc(NC2=Nc3cccc4cccc2c34)cc(OC)c1OC,0,0,0,0
Brc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1,0,0,0,0
OC1CC(c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1,0,0,0,0
CCOC(=O)C1CCN(C(c2cccc(F)c2)C2Sc3nc(C)nn3C2=O)CC1,1,0,0,0
O=C(OCc1ccccc1)c1nc2c(=O)[nH]c3ccccc3n2n1,0,0,0,0
CCC(C)NC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
CC(C)(O)c1ccnc(-c2cccc3cc([C@H](NS(=O)(=O)C4CC4)c4c(F)cccc4Cl)sc23)c1,0,0,0,0
O=S(=O)(Cc1ccc2c(c1)CCNCC2)c1ccc(N2CCCCC2)nc1,0,0,0,0
Cc1ccc(C(=O)OCC(=O)NCc2ccco2)s1,0,0,0,1
CC(C)CN1C(=O)NC(NC(=O)c2cccs2)(C(F)(F)F)C1=O,0,0,0,0
CCCC1C(c2ccco2)NC(c2ccco2)CC1(C)O.O=C(O)C(=O)O,0,0,0,0
Cc1onc(-c2ccccc2)c1NC(=O)Nc1ccc(OC(F)F)cc1,1,0,0,0
Nc1nnc(SCCN2C(=O)c3ccccc3C2=O)[nH]1,0,0,0,0
CCCCn1c(=O)c(C=NC2CC2)c(O)c2cccc(C)c21,0,0,0,0
CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3cccc(C(F)(F)F)c3)c(C(N)=O)c2C1,0,0,0,0
C=CC(=O)NCCNC(=O)c1sc2nccc3c2c1NC(=O)N3c1cnc(CC(C)C)cc1C,0,0,1,0
CCc1nc(N2CCN(C(=O)c3ccco3)CC2)c2oc3ccccc3c2n1,1,0,0,0
COc1ccc(N2CCN(C(=O)C(=O)c3cn(CC(=O)N4CCOCC4)c4ccccc34)CC2)cc1,1,0,0,0
CCCCN1C(=O)NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4C32)C1=O,0,0,0,0
CCN1CCC(c2nn(C)c3[nH]c(=O)c4ccccc4c23)CC1,0,0,0,0
CC(C)OC(=O)COc1ccc(F)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F,0,0,0,0
Cc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2ccccc2)n(C)n1,1,0,0,0
CSc1ccccc1C(=O)Nc1ccc2c(c1)CCC2,0,1,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCC2)CC1,0,0,0,0
CCOC(=O)/C=C\CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0,0,1,0
O=C(/C=C/c1ccc(Br)o1)NC(c1ccccc1)c1ccccc1,1,0,0,0
Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1,0,0,1,0
COc1cccc2c1CCN(C(=O)CNC[C@@H](C)O)C2C1CCCCC1,0,0,0,0
COCCOc1cncc(-c2ncc3c(n2)-c2[nH]c4c(c2CC3)C(=O)NCC42CN(C)C2)c1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(O)cc3)cs2)cc1,0,0,0,0
CC(=O)N(Cc1ccccc1)c1ccccc1C(=O)O,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CC3CN(c4nccc(-c5ccccc5)n4)CC3C2)c1,0,0,0,0
CNC(=O)Nc1ccc(C(=O)NN=CC23CCC(O)CC2(O)CCC2C3CCC3(C)C(C4=CC(=O)OC4)CCC23O)cc1,0,0,0,0
C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)C2=C1CCCC2=O,0,0,0,0
c1ccc2c[n+](CCCCCCCCCC[n+]3ccc4ccccc4c3)ccc2c1,0,0,0,0
O=C1/C(=C/c2ccco2)SC(=S)N1C1CCS(=O)(=O)C1,0,0,0,0
O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)C1CC(=O)N1CCCO1,0,0,0,0
O=C(CCl)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)c3cc21,0,0,0,0
COC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2cccc(Cl)c2)o1,1,0,0,0
Cc1cc(C)cc(CC2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1OC)C2c1ccc(F)cc1,1,0,0,0
CCSc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1,1,0,0,0
CCC(=O)N1CCC[C@H]1COc1ccc2c(c1)c(SC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
COc1ccc(C=C2c3ccccc3C(=O)c3ccccc32)c(OC)c1,0,0,0,0
COc1ccc(N2C(=O)C3CNNC3NC2=S)cc1,0,0,0,0
CC(OC(=O)CCCNC(=O)c1ccc(Cl)cc1)C(=O)N(C)Cc1ccccc1,1,0,0,0
COc1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)nn1-c1ccc(C(F)(F)F)cc1,0,0,0,0
CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(F)cc4)C3)n2)c1,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCC(=O)O)cc1C,0,1,0,0
Cc1cc(CN(CC2CCC(C(=O)O)CC2)C2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
COc1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cc1,0,0,0,0
NCC(=O)N1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1,0,0,0,0
Nc1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)ccc1N1CC2CC(C1)c1cccc(=O)n1C2,1,0,0,0
Cc1cccc(C)c1OCc1cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)no1,0,1,0,0
COc1cc(F)ccc1Nc1ncc(F)c(Oc2cccc3c2C(=O)CC3)n1,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)SC(C)C)CC2)c1F,0,0,0,0
CCOC(=O)C1(C)NC(c2ccc(O)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccc([N+](=O)[O-])cc1,0,0,0,0
Cc1cccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)c3cc4c(cc32)OCO4)c1,1,0,0,0
COC(=O)C1(CCSC)NC(c2ccc(OC)cc2OC)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,1,0,0,0
COc1ccc(-c2c(Cl)c3cc(C#N)c(C#N)cc3n2C)cc1,0,0,0,0
CCC(Nc1cc(C)cc(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1,0,0,0,0
O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnn2CCO)cc1F,0,0,0,0
O=C(O)CSc1ncnc2nc[nH]c12,0,0,0,0
O=C(Cc1ccc(Cl)cc1)Nc1cnccc1C(=O)O,0,1,0,0
COc1ccc2[nH]c(-c3ccccc3)c(/C=C/NC(C)=O)c2c1,0,0,0,0
Cc1nc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n([C@H]5CCN(C(=O)CO)C[C@@H]5F)c34)c(Cl)c2)ncc1F,0,0,0,0
CCCCN(Cc1cccc(F)c1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
O=C(O)[C@H](CCCc1ccccc1)Oc1ccc(Cl)cc1,0,0,0,0
COC(=O)N[C@@H]1CN(C2CCN(c3cc(C#N)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C[C@@H]1C,0,0,0,0
COC(=O)c1sccc1NC(=S)Nc1ccccc1,0,0,0,0
Cc1noc(C)c1C1=CC(=O)N2C[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)C2C1,0,0,0,0
CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Br)c(Br)c2)CC1,0,0,0,0
Cc1nc(-c2cccs2)ccc1C(=O)O,0,0,0,0
CCCCC(=O)OC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NN=Cc2ccc(C)o2)c1,1,0,0,0
CCCCCCCNC(=O)Oc1ccc2c(c1)CN(C)C(c1ccc3ccccc3c1)N2C,0,0,1,0
Cc1ccc(COc2ccc3c(C)c(C)c(=O)oc3c2)cc1,0,0,0,0
CNC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1,0,0,0,0
OC(CSc1ccccc1Cl)CN1CCN(c2ccccc2F)CC1,0,0,0,0
CCCCCCC(C(C)O)n1cnc2c(N)ccnc21,0,0,0,0
Cc1cccc(NCc2ccccc2)c1,0,0,0,0
CN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,0,0,0,0
COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)NCCSC)sc3n2)cc1,0,0,0,1
C[C@@H]1CCCN1CCc1ccc(-c2ccc(C(C)(C)C(=O)O)cc2)cc1,0,0,0,0
Clc1cc(Cl)c2nc(N3CCCCC3)sc2c1,0,1,0,0
Cc1ccc(N2C(=O)NC(=O)/C(=C\NC3CCCCC3N)C2=O)cc1C,0,0,0,0
Cn1ccc(-c2ccc(-c3cnc4c(N)nc(C5C[C@H]6CC[C@@H](C5)N6C(=O)c5ncn[nH]5)cn34)cn2)n1,0,0,0,0
CSCCC(C)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1,0,0,0,0
CN1CCCC1CCNc1ccc(OC(F)(F)F)c(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)c1,0,0,0,1
CC(=O)OC(C)C1C2=C(C(=O)CC1(C)O)C(=O)c1c(ccc(-c3ccc4c(c3O)C(=O)C3=C(C4=O)C(C(C)OC(C)=O)C(C)(O)CC3=O)c1O)C2=O,0,0,0,0
CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(-c2ccn3cnnc3c2)c(F)c1,0,0,0,0
CSc1cccc(-c2nnc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)o2)c1,0,1,0,0
C=C(C)C(=O)Nc1cc(C)cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CN(CCO)C(=O)c1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Nc1c2c(nc3ccccc13)N(c1ccccc1)CC2,0,0,0,0
O=C(CCCCCNC(=O)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NO,0,0,0,0
CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)CCSc2cccc(C(=O)O)c2)cc1,0,0,0,0
COc1ccc(B(O)O)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1,0,0,0,0
COc1ccccc1-c1c(C)nn2c(N3CCN(c4ccc(Cl)cc4)CC3)cc(C)nc12,0,0,0,0
O=C(c1cccc(F)c1)N1CCC(O)(c2cccnc2)CC1,0,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCCC1,0,0,0,0
c1ccc(CN2CCC(Nc3ccc4[nH]nc(-c5nc6ccc(N7CCC(N8CCCCC8)CC7)cc6[nH]5)c4c3)CC2)cc1,0,0,0,0
CS(=O)(=O)c1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1,0,0,0,0
c1ccc(COn2nnc3ccccc32)c(COn2nnc3ccccc32)c1,0,0,0,0
Cc1[nH]c(=O)c(C(=O)c2ccccc2O)cc1C(=O)O,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1,0,0,0,0
O=C(N[C@H]1CCCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1,0,0,0,1
COc1cc(S(=O)(=O)N(Cc2cccnc2)Cc2cccc(OC)c2OC)ccc1-n1cnnn1,1,0,0,0
O=c1cc(-c2ccoc2)oc2cc(O)c(O)c(O)c12,0,0,0,0
CCOC(=O)N1CCN(c2c(NCCCN(C)c3ccccc3)c(=O)c2=O)CC1,1,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC(N)=O)c2cc1OC,0,0,0,0
CC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12,0,0,0,0
Cc1cc(C)c(C(N)=O)c(NCCc2ccccc2)n1,0,0,0,0
COc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1,0,0,0,0
O=C(NC1=NCCS1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1,0,0,0,1
CCc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1,0,0,0,0
CN(CCOC(=O)c1ccc2c(c1)OCCO2)Cc1ccccc1,0,0,0,0
CC1CC(=O)c2cnc(N)nc2C1,0,0,0,0
CCOC(=O)N1N=C(c2ccccc2)CC1(O)C(C)(F)F,0,0,0,0
COc1cc(Nc2ncc(-c3ccccc3)o2)ccc1-c1cocn1,0,0,0,0
Cn1cncc1Cn1cc(C(=O)N2CCOCC2)c(-c2cccc3ccccc23)c1,0,0,0,0
C=CCC1(N(C(C)=O)c2ccccc2)CCCCC1,0,0,0,0
CCOC(=O)CSc1nc2cc(C(=O)NCC3CCCO3)ccc2c(=O)n1Cc1ccco1,1,0,0,0
N[C@@H]1CCCN([C@H]2Cc3c(Cl)cc(Cl)cc3[C@@H]2Oc2ccc(S(N)(=O)=O)c(Cl)c2Cl)C1,0,0,0,0
N#Cc1ccc2c(c1)ncn2-c1ccc2[nH]cc(C3CCNCC3)c2c1,0,0,0,1
CC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12,0,0,0,0
COC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1cccc(Cl)c1,0,0,0,0
Cc1noc(C)c1C(=O)OC(C(=O)NC1CCCC1)c1ccc(F)cc1,0,0,0,0
Fc1cccc(Cn2cc(NCCN3CCCCC3)nn2)c1,0,0,0,0
CC1CCCC(NC(=O)COC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)C1C,1,0,0,0
O=C(COc1ccc(Br)cc1)N1CCc2ccccc21,0,1,0,0
COc1ccc2c(=O)n(CC(O)CO)c(C#N)c(-c3cccc(F)c3)c2c1,0,0,0,0
CCCCN(Cc1cc(Cl)cc(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
COc1ccc(/C=C2/N=C(SC3CCOC3=O)N(c3cccc(OC)c3)C2=O)cc1,1,0,0,0
CCCn1c(=O)n(C)c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc21,0,0,0,0
CC(=O)NCCSc1ccc([N+](=O)[O-])c2nonc12,0,0,0,0
CCCCSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1,0,0,0,0
COc1ccc(-c2cc3nc4c(c(=O)n3[nH]2)CCC4)cc1,0,1,0,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2C)c(C)[nH]1,0,0,0,0
COc1ccc(CCNC(=O)CCc2c(C)nc3cc(-c4cccc(F)c4)nn3c2C)cc1OC,1,0,0,0
Cc1nnc(CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)n1Cc1ccc(C#N)cc1,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)n1c(Cc2ccccc2)nc2ccccc21,0,0,0,0
Nc1ncnn2c(CN3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12,0,0,0,0
CC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0,0,0
CCn1c(C)nc2cc(S(=O)(=O)N3CCCC3)ccc21,0,0,0,0
C#C[C@]1(OC(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@@H]4[C@H]3CC[C@@]21C,0,0,0,0
O=c1cc[nH]c(SCc2ccccc2Cl)n1,0,0,0,0
Cc1ccn2c(Nc3ccc(C(C)C)cc3)c(-c3cccs3)nc2c1,0,0,0,0
CN(C)[C@H]1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
O=C1C=C(NCc2ccccc2)c2ccccc2C1=O,0,0,0,0
Nc1ncnc2nc(-c3ccc(N4CCC[C@H]4CO)nn3)cc(-c3cccc(Br)c3)c12,0,0,0,0
O=C(Nc1ccc2c(c1)ncn2-c1ccccc1)c1ccco1,0,1,0,0
c1ccc(Nc2ncnc3n[nH]c(Nc4ccccc4)c23)cc1,0,0,0,0
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ccccn1,0,0,0,0
NS(=O)(=O)c1ccc(CNc2ccc3ccccc3n2)cc1,0,0,0,0
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1,0,0,0,0
O=C(COC(=O)c1c2c(nc3ccccc13)C(=Cc1cccc([N+](=O)[O-])c1)CCC2)NC1CCS(=O)(=O)C1,1,0,0,0
COc1cc(C=C2N=C(C)OC2=O)cc(Cl)c1OC(C)=O,0,0,0,0
Cc1cc(NC(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)nc2cc(F)ccc12,0,0,0,0
COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)c(CN4CCCCC4)c32)cc1,0,0,0,0
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CC=CC3,0,0,0,0
Cc1c(Oc2c(F)cccc2F)c(OC(C)C)nn1-c1ncc(C2CC2)cc1F,0,0,0,0
CCn1c(=O)n(CC)c2cc(S(=O)(=O)N3CCCCC3)c(C)cc21,0,0,0,0
C[C@H]1Cn2c(nnc2C2CCCNC2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl,0,0,0,0
Cc1cc(C)cc(Oc2coc3cc(O)ccc3c2=O)c1,0,0,0,0
COc1ccc2cncnc2c1,0,0,0,0
Cc1ccc(C(=O)OCC(=O)c2ccccc2)cc1,0,1,0,0
C=CC(=O)N1CCC(C2(C)CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
Cc1ccccc1NC(=S)NN=CC(C)c1ccccc1,0,0,0,0
Cc1nc(C(C)NC(=O)c2cc(COc3ccc(C)c(C)c3)on2)c(C)s1,1,1,0,0
COC(=O)[C@@]1(Cc2cccc(F)c2)CCc2cnc3c(-c4ccc(C(F)(F)F)cc4)cnn3c21,0,0,0,0
CN1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C2CCCN32)CC1,0,0,0,0
CCCSCCCNC(=O)C1CCCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)C1,1,0,0,0
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCCC(C(N)=O)C3)cc2OC)ncc1Br,0,0,0,0
CC(C)Oc1ccc(-c2cncc(NC(P(=O)(O)O)P(=O)(O)O)c2)cc1,0,0,0,0
CC(C)(N)c1ccc(-c2nc(Nc3ccc(CCN4CCCC4)cc3)ncc2Cl)cc1,0,0,0,0
O=c1oc2ccccc2c(O)c1C(c1ccc(C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1)c1c(O)c2ccccc2oc1=O,0,0,0,0
Cc1ccccc1Cn1cnc(=O)c2sc(N3CCOCC3)nc21,0,0,0,0
Cc1sc2nc(SCC(=O)OC(C)C)n(C)c(=O)c2c1C,1,0,0,0
CCc1ccccc1Nc1nc(N)nc(COC(=O)c2c(C)noc2C)n1,0,0,0,0
Cc1cnc2sc(=S)n(-c3ccccn3)c2c1,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCCN(C)C)c3nc4ccc(Cl)cc4s3)cc2)CC1,1,0,0,0
CSc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1,0,0,0,0
O=C(NCCc1ccccc1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[S+]2[O-],1,0,0,0
C[C@H]1CN(C(=O)c2ccc(-c3ccccc3)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1,0,0,0,0
C=CCNC(=O)C(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1,1,0,0,0
CCOc1n[nH]c(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)n1,0,0,0,0
CC(C)OC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,0,0,0,0
CCOc1cc(-c2noc(N)c2C#N)cc(OCC)c1OCC,0,0,0,0
COc1ccc2c(ccn2N2C[C@H]3CN(c4ncc(C(=O)NO)cn4)C[C@H]3C2)c1,0,0,0,1
CC1(C)CCCC2(C)C1C(=O)C=C(C(=O)O)C2(O)C(=O)O,0,0,1,0
COc1ccc(OC)c([N+]2=C3SCCCN3C(O)(c3cccs3)C2)c1,0,0,0,0
CC(=O)c1cnc(Nc2nc(C)c3cc(C)c(C)cc3n2)nc1C,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(-c4ccccc4)cc3)CC21,0,0,0,0
CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1,0,0,0,0
COc1cccc(N2C(=Cc3cc(=O)[nH]c(=O)[nH]3)NN=C2SCC(=O)N2CCCCC2)c1,1,0,0,0
COC(=O)CCCCC1SCC2NC(=O)NC21,0,0,0,0
CN(c1nc2cc(F)ccc2s1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
CCCOCCn1c(=O)nc(NC(C)(C)C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21,0,0,0,0
COC(=O)c1ccc(N2CCN(c3ccccc3)CC2)c(N)c1,0,0,0,0
CC(C)c1nnc(NC(=O)CSc2nnc(NC(=O)c3c(F)cccc3F)s2)s1,0,1,0,0
COc1cc2c(cc1OC)N1C(=O)CC(OCC(=O)O)C3C4CC5(CCN5C(=O)C4=O)C2C31,1,0,0,0
CNC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
CCOC(=O)CCc1cccc(-c2cc(C)cc(Nc3nccc(C)n3)c2)c1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC#CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5cccc(Cl)c5)cc4)nn32)CC1,0,0,0,0
Cc1cc(C)n2nc(C(=O)N3CCCC(CNS(=O)(=O)c4cccs4)C3)cc2n1,0,0,0,0
CC(C)(C)C(=O)N1CCN(C(c2cccnc2)c2ccc(Cl)cc2F)CC1,0,0,0,0
CN(CCCOc1ccc(Cc2cccs2)cc1)CCC(=O)O,0,0,0,0
CSc1ccc(C(=S)N2CCCC2)cc1,0,0,0,0
COc1ccc2[nH]cc(CCC3CCNCC3)c2c1,0,0,0,0
COc1ccccc1N1C(=O)CC(Sc2nc(C)cc(C)n2)C1=O,0,0,0,0
Cc1noc(-c2ccccc2C(=O)N2C3CCC2C(COc2cccc(C(F)(F)F)n2)C3)n1,0,0,0,0
Cn1cnc2c(C#N)nc(-c3ccc(CCCO)c(C(F)(F)F)c3)cc21,0,0,0,0
CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)C(c2cccc(C(F)(F)F)c2)NC(=S)N1c1ccccc1,1,0,0,0
CCOc1cc(C=C2C(=O)ON=C2C)ccc1OCc1ccc(F)cc1,1,0,0,0
C/C(=N\OC(=O)c1ccc(-c2ccccc2)cc1)c1nccs1,0,0,1,0
COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(C)cc3)CC2)o1,0,0,0,0
CCc1cnc2c(N3CCN(C)CC3)nc(N)nc2c1,0,0,0,0
NC1CCC(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)CC1,0,0,0,0
C[C@]12CCC(OC3CCCC3)=CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0,0,0,0
O=c1c(-c2cccc(F)c2)nc2cncnc2n1-c1ccccc1,0,0,0,0
COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(CCC#N)c2n1,0,0,0,0
Brc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1,0,1,0,0
COC(=O)C1(C)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0,0,0
CC(=O)OC1CC(C)(C)N(OC(=O)CCCN2C(=O)c3ccccc3C2=O)C(C)(C)C1,1,0,0,0
Nc1nc(-c2ccco2)c2cnn(CC3CCCCC3)c2n1,0,0,0,0
COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCC(=O)N1CCOCC1,1,0,0,0
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1OC[C@@H]1CN2CCOC[C@H]2CO1,0,0,0,1
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2CCN2CCOCC2)c1,1,0,0,0
CCCCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)ccc12,0,0,0,0
COc1c(F)c[n+](CCCCOc2ccc3c(C)cc(=O)oc3c2)cc1F,0,0,0,0
Cc1ccccc1C(=O)Nc1cccc(C(=O)N/N=C/c2ccc3c(c2)OCO3)c1,0,1,0,0
Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c2c(C)nn(-c3cccc(F)c3)c2n1,1,0,0,0
Cc1cnc(C)c(N(C)NC(=S)Nc2ccccc2)n1,0,0,0,0
O=C(O)C1CCCCC1(O)c1ccccc1,0,0,0,0
CN(C(=O)c1ccc(-c2nn(C)c(=O)c3ccccc23)cc1)C1CCCCC1,1,0,0,0
CN(C)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1,1,1,0,0
Cc1ccc2[nH]c(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)nc2c1,1,0,0,0
O=C1NC(=O)c2ccccc2C1=O,0,0,0,0
O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4)CC3)ccc2N1,1,0,0,0
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3)c3ccc(C)cc3)c2)CC1,1,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(CNc3ncccc3C#N)ccc2o1,0,0,0,0
Fc1cccc2sc(N3CCCCC3)nc12,0,1,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(O)c4)cc32)cc1C,0,0,0,0
COC(C)(C)c1ccc(Nc2nn([C@@H]3CC[C@H](O)C[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
COc1ccc(C(=O)N2c3ccccc3C(N(C(C)=O)c3ccccc3)CC2C)cc1,0,0,0,0
Cc1nc2cccnc2n1C1CC2CCC(C1)N2CCC1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1,0,0,0,0
CN(C)C/C=C/C(=O)Nc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1O[C@@H]1CCOC1,0,0,1,0
CCOc1cnc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)cc1CC,0,0,0,0
COc1ccc(-c2c(O)c(C#N)c(-c3ccccc3)n(-c3ccc(OC)cc3)c2=O)cc1,0,0,0,0
COc1cccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1,0,0,0,0
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccn3)cc2)cc(C)c1O,0,0,0,0
CC1(C)Oc2ccc(C(=O)NN)cc2NC1=O,0,0,0,0
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(-c5ccc(OC)cc5)n[nH]4)cc(OC)c3)cc2C(F)(F)F)CC1,0,1,0,0
O=C(c1ccc2c3c(cccc13)CC2)C1CCCN(Cc2ccccn2)C1,1,0,0,0
Cc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2,0,0,0,0
CS(=O)(=O)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1,0,0,0,0
Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2N2CCOCC2)cc1Cl,1,0,0,0
CCOC(=O)C(Cc1ccc(Cl)cc1Cl)c1ccno1,0,0,0,0
Cc1ccc(CNC(=O)c2c[nH]n3c(=O)c(Cc4ccc(F)cc4Cl)c(C)nc23)cc1,0,0,0,1
Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccccc3)C[C@@H]1O2,0,0,0,0
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3nc(C)c4ccccc4n3)c(=O)c21,0,0,0,0
NC(CCc1ccccc1)P(=O)(O)C(N)Cc1ccccc1,0,0,0,0
C=CCN1C(=O)C(CCCC)NC1=S,0,0,0,0
CCOc1cccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)c1,0,0,0,0
CCCO[C@]1(c2cccc(O)c2)CCCC[C@@H]1CN(C)C,0,0,0,0
CCCC1=NN2C(=N)C(=Cc3cc(C)n(-c4cc(C)cc(C)c4)c3C)C(=O)N=C2S1,1,0,0,0
NC1(c2ccc(-c3nc4ccc(-c5ccccn5)cn4c3-c3ccccc3)cc2)CCC1,0,0,0,0
C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,0,0,0,1
Cc1cc(C)c(-n2c3ccccc3n3c(CN(CCC4CC4)CCC(F)(F)F)c(C(F)(F)F)nc23)c(C)c1,0,0,0,0
Cc1ccc(C=C2CCOC2=O)cc1,0,0,0,0
CC(C)Oc1cc2c(-c3cc(N4CCn5nc(C(F)(F)F)nc5C4C)ncn3)n[nH]c2cc1F,0,0,0,0
CCOc1cc(/C=C2\SC(=S)N(N3CCOCC3)C2=O)ccc1O,0,0,0,0
O=S1(=O)CCC(n2ncc3c2/C(=C/c2ccccc2)CC3)C1,0,0,0,0
COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCCc4ccccn4)nc32)c1,0,0,0,0
O=C(c1ccccc1)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1,0,0,0,0
Nc1nonc1C(=O)N/N=C/c1ccc(Br)o1,0,1,0,0
CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
O=C1NC(=O)/C(=C/c2ccc(OCCCCc3ccccc3)cc2Cl)S1,0,0,0,0
CCCCCCCCSc1nnc2[nH]c(=O)cc(N)n12,0,0,0,0
CCC(=O)N=S(=O)(O)c1ccc(-c2c(-c3ccccc3)noc2C)cc1,0,0,0,0
O=C1c2ccccc2C(=O)N1c1cccc2cccnc12,0,0,0,0
O=C1Nc2ccc(Cl)cc2/C1=C\c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)o1,0,0,0,0
Cc1ccccc1C(=O)N1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1,1,0,0,0
O=c1[nH]ccc2c(Nc3c(F)cc(F)cc3Cl)nc3ccncc3c12,0,0,0,0
Cc1c2cc(-n3ccc(OCc4csc(C(F)(F)F)c4)cc3=O)ccc2nn1C1CC1,0,0,0,0
Cc1cc(C(=O)N2CCCCCC2)cs1,0,0,0,0
CCOc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,0,0,0,0
CCCN(CCC)C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1,0,0,0,0
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(C#N)cc3OC)n1)CCN(CC(=O)N(C)C)CC2,0,0,0,0
Cc1ccc(-c2nnn(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)n2)cc1,1,0,0,0
O=C(c1ccccc1)N1CCC(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)CC1,0,0,0,0
CCOC(=O)c1cn2nc(Oc3ccc(C)cc3)ccc2n1,0,0,0,0
CN(C)c1ccc(NS(=O)(=O)c2ccc(-c3csnn3)cc2)cc1,0,0,0,0
S=C(c1ccccc1)N1CCN(C(=S)c2ccccc2)CC1,0,0,0,0
O=C1Nc2ccc(-n3cncn3)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1,0,0,0,0
OCc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1,0,1,0,0
Cc1ccc(-n2[nH]c(C)c(N=Nc3cccc(-c4cccc(C(=O)O)c4)c3O)c2=O)cc1C,0,0,0,0
CCC1=Nc2cc(C(=O)NCCc3ccc(OC)c(OC)c3)ccc2Sc2ccccc21,1,0,0,0
Cc1ccc(Nc2c([N+](=O)[O-])nn(-c3ccccc3)[n+]2[O-])c(C)c1,1,0,0,0
Cn1nccc1C(=O)N1CCN(c2ncccn2)CC1,0,0,0,0
Cc1csc(SCC(=O)NC(=O)NC(C)(C)C)n1,0,0,0,0
CC(C)Cc1cc(CN2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)[nH]n1,0,0,0,0
O=C(O)CNC(=O)CCCn1nnc2ccccc2c1=O,0,0,0,0
O=C(O)Cc1sc(NCc2ccco2)nc1-c1ccccc1,0,0,0,0
O=C1O[C@@H](Cn2cc(F)nn2)CN1c1ccc(C2=CCS(=O)(=O)CC2)c(F)c1,0,0,0,0
CCOC(=O)c1cccc(OCC(O)CNCCOc2ccccc2F)c1,0,0,0,0
CN(C)S(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)N(C)C)ccc1-2,0,0,0,0
CCC(CC)C(=O)Nc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1,0,0,0,0
CC(C)C(c1nnnn1C(C)(C)C)N1CCN(c2cccc(Cl)c2)CC1,1,0,0,0
CCOc1ccc(-c2cc3c(ncn3CCCN(C)C)c(C#N)n2)cc1C(F)(F)F,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2cccnc2Oc2ccccc2)CC1,0,0,0,0
COCC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(N)=O,0,0,0,0
Cc1cc(C(=O)CN2C(=O)NC(CC(C)C)C2=O)c(C)n1-c1ccccc1F,0,1,0,0
CC(=O)Nc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)C)C2c2ccccc2OC(C)C)cc1,0,0,0,0
Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OCC(F)F)c12,0,0,0,0
COC(=O)c1ccc(Oc2c(F)c(F)nc(N3CCOCC3)c2F)cc1,0,0,0,0
CCCc1[nH]nc2c1C(c1cccc([N+](=O)[O-])c1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
CC1(C)c2cc(N3CCC(N)CC3)c(Br)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
CC(C)(C)NC(=O)N1CCn2c(F)c(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
CCOc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)c3c(C)oc(C)c3c(=O)c2)cc1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)cc3)oc2c1,0,0,0,0
O=C1Nc2ccccc2CCC1N1CCN(Cc2ccc(Cl)cc2)CC1,0,0,0,0
COc1cc(NC(=O)N2CCN(c3cc(-c4noc(C)n4)ccc3C)CC2)cc(OC)c1OC,1,0,0,0
O=c1[nH]c(SCCCCCCCCc2ccccc2)ncc1Cc1cccnc1,0,0,0,0
COCCOCOc1cc(Cc2cc(OC)c(Cc3cc(OC)c(Cc4cc(OC)c(Cc5cc(OC)c(Cc6cc(OC)ccc6OCC(=O)O)cc5OCOCCOC)cc4OCC(=O)O)cc3OCOCCOC)cc2OCC(=O)O)c(OC)cc1C,0,0,0,0
O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCN(C(=O)c2ccccc2Br)CC1,1,0,0,0
CCc1cc(-c2ccn[nH]2)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1,0,0,0,0
CCC1(CC)C(=O)NC(=O)N(C)C1=O,0,0,0,0
COCCNc1nc(-c2cccc(OC)c2)nc2ccccc12,0,0,0,0
OCCN(CC(O)Cn1ccc2ccccc21)CC(O)Cn1ccc2ccccc21,1,0,0,0
O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1,0,0,0,0
Cc1ccnc(N2C(=O)c3ccccc3C2=O)c1,0,0,0,0
CCOC(=O)C(C)Oc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1Br,0,0,0,0
COCCOc1ccc2c(c1)CCN(CCn1ncc3c1nc(N)n1nc(-c4ccco4)nc31)CC2,0,0,0,0
Cc1cc(C)n2c(C)nnc2c1,0,0,0,0
COc1cccc(CN=c2c([N+](=O)[O-])nn(-c3ccccc3C)n2O)c1,0,0,0,0
COc1ccc(-c2cc(=O)[nH]c(=S)n2CCOC(C)C)c(OC)c1,0,0,1,0
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1,1,0,0,0
Cn1cc(-c2cnn3c(N)c(C#N)c(C4CCCNC4)nc23)cn1,0,0,0,0
COc1ccc(-c2nc3cc(NC(=O)Cc4ccc(OC)c(OC)c4)ccc3o2)cc1,1,0,0,0
CCOc1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)c(OCC)cc1-n1cnnn1,0,0,0,0
COc1ccc(-c2n[nH]c3c2C(c2ccccc2OCCO)N(c2nc4ccc(OC)cc4s2)C3=O)cc1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(OC(F)(F)F)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
Cc1ccc(-c2nc(N3CCN(C(=O)CCS(C)(=O)=O)CC3)ccc2Cl)nc1,0,0,0,0
COc1nn2cc(-c3ccc(C#N)cc3)nc2s1,0,0,0,0
Cc1nc(C)c(S(=O)(=O)NCCOc2ccc3c(c2)C(Cc2cccc(Cl)c2)C(N)CC3)s1,0,0,0,0
CCOc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O,0,0,0,0
COC(=O)c1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3,0,1,0,0
Cc1nc2c(ccc3c([N+](=O)[O-])cccc32)c(C)c1C,0,0,0,0
COc1cccc(CN2CCc3c(c4ccccc4n3Cc3ccc(C(=O)NO)cc3)C2)c1,0,0,0,0
Cc1nn(C)cc1-c1cnc(N)c2oc(-c3csc4cnccc34)cc12,0,0,0,0
COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(NC2CCNC2)nc1)C1CC1,0,0,0,0
CCc1cccc(CC)c1C(O)c1cccnc1,0,0,0,0
CCSC1=NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1,0,0,0,0
Cn1c(C(=O)N2CCC(C(N)=O)CC2)cc2c(=O)n(C)c3ccccc3c21,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(CO)[nH]c1C,0,0,0,0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCOc1ccccc1,0,1,0,0
COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1,0,0,0,0
O=C1CC[C@@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CCN1,0,0,0,0
CN(Cc1nc2ccccc2[nH]1)Cc1nc(CC2CC2)no1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1cccc(O)c1,0,0,0,0
CCc1ccc(NC(=O)c2ccccc2NC(=O)C2CCCO2)cc1,0,1,0,0
COc1ccccc1N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,1,0,0,0
COCCN=C1OC(=O)N2C(=O)C3=C4C(CC5C(=O)N(CC(=O)OC)C(=O)C5C4C12Cc1ccccc1)C1C(=O)N(CC(=O)OC)C(=O)C1C3C,1,0,0,0
COc1ccc(-c2ccn3ncc(/C=N/N(C)S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)c3n2)cn1,0,0,0,0
Cc1cccc(C(C)(C)C)c1OCCOCCN1CCCC1,0,0,0,0
CNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2cccnc2)cc1,0,0,0,0
Oc1ccc(OCC(O)CNC2CCN(c3ncnc4ccsc34)CC2)cc1,0,0,0,0
CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
CCCCN1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2Cl)CC1,0,0,0,0
Cc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1OCC(=O)NC1CCCCC1,1,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1Cl,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)CN3C(=O)NC(C)(c4ccc5ccccc5c4)C3=O)CC2)cc1,1,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
Cc1ccccc1NC(=S)N(CCN1CCCCCC1)Cc1cccs1,0,0,0,0
Cc1ccc(-c2nc(COc3ccc(CC4COC(C)(C(=O)O)OC4)cc3)c(C)o2)cc1,0,0,0,0
CC(C)OC(=O)/C=C\n1cnc(-c2csc(Br)n2)n1,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0,0,0,0
CC1CCCCC1NCc1cccc([N+](=O)[O-])c1,0,0,0,0
O=C(NCc1cccs1)c1ccc2nccnc2c1,0,0,1,0
CN1C/C=C/COCc2ccc(s2)-c2ccnc(n2)Nc2ccc(OCCN3CCCC3)c(c2)C1,0,0,0,1
Nc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,0,0,1,0
CC(C)=NNc1ncnc2nc[nH]c12,0,0,0,0
O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)Cc1ccccc1-3,0,0,0,1
O=C(Nc1ccccc1)C1=C[C@H](c2ccc3c(c2)OCO3)C[C@H](OCCCCO)O1,0,1,0,0
CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F,0,0,0,0
Cc1c(-c2ccccc2)cc(-c2cc(Cl)ccc2OCc2ccccc2)n1-c1cccc(C(=O)O)c1,0,0,0,0
CC(C)CN(CC(C)C)S(=O)(=O)N1CCC(C(=O)NCc2ccc(F)cc2)CC1,1,0,0,0
CCCC(c1ccc(Cl)cc1)C1CCCCN1,0,0,0,0
COC1=CC(=CNS(=O)(=O)CCc2ccccc2)C=C(OC)C1=O,0,0,0,0
CNS(=O)(=O)c1ccc(Cl)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
COc1ccc(/C=N/NC(=S)NCc2ccccc2)cc1OC,0,0,0,0
CCCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
CCc1nc(SCC(=O)N2CCC(C)CC2)c2c(=O)n(C)c(=O)n(C)c2n1,1,0,0,0
O=S(=O)(NCCCCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2ccccc12,0,0,0,0
Cn1cc(Nc2nccc(-c3ccc(N4CC[C@H](O)C4)c(C#N)c3)n2)cn1,0,0,0,0
CN(C)/C=N/c1sc2c(c1C(N)=O)CCCC2,0,0,0,0
O=C1NCc2ccc(-c3cccc(OCC(O)CN4CCc5ccccc5C4)c3)cc21,0,0,0,0
COc1cc2nc(N3CCC(N4CCCC(CO)C4)CC3)nc(NC3CCCCCC3)c2cc1OC,0,0,0,0
Cc1nc(-c2ccc(NC(=O)C3CC3)cc2)cs1,0,1,0,0
CN1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,0,0,0,0
COc1ccc(OCC(=O)Nc2sc3c(c2C(=O)NCC2CCCO2)CCC3)cc1,1,0,0,0
Cc1cn2cc(-c3cccc(O)c3)nc(N3CCOCC3)c2n1,0,0,0,0
CCN1CCc2nc(NC(=O)c3ccc4c(c3)OCCO4)sc2C1,0,1,0,0
CC1(C)C2CC=C(/C=N/NC(=O)c3ccccc3O)C1C2,1,1,0,0
Nc1ncnc2c1sc1cc(-c3cccc(Cl)c3)ccc12,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2)n1,0,0,0,0
CCc1nnc(NC(=O)CC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)s1,1,0,0,0
CC(=O)Nc1ccc2c(c1)Cc1c(F)cccc1-2,0,0,0,0
Nc1cc(OC(=O)c2c(F)cccc2Cl)nn1S(=O)(=O)c1ccccc1,1,0,0,0
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c(Br)c[nH]c2c1=O,0,0,0,0
O=C1Nc2ccc(-n3ncnn3)cc2/C1=C/c1ccc[nH]1,0,0,0,0
O=C1c2ccc(-c3ccc(F)cc3OCc3ccccc3)cc2S(=O)(=O)c2cccc(C(=O)N3CCCC3)c21,1,0,0,1
OCc1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1,0,0,0,0
COc1cc(CC2CCCCC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ncon3)ccc21,0,0,0,0
Cc1cc(=O)oc2cc(OC(=O)c3ccco3)ccc12,0,1,0,0
CN(C)C(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(S(=O)(=O)NCCOCCOCCNC(=O)NCCCCNC(=O)NCCOCCOCCNS(=O)(=O)c3cccc([C@@H]4CN(C)Cc5c(Cl)cc(Cl)cc54)c3)c2)C1,0,0,0,0
O=C(C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1)N1CCN(c2ccccc2)CC1,1,0,0,0
CCC(C)(C)n1nnnc1C(c1ccccn1)N1CCOCC1,0,0,0,0
Cn1cncc1CN1CC(N(CC(=O)OC(C)(C)C)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21,0,0,0,0
OC(c1cccc(Cl)c1)(c1cccc(Cl)c1)C1CN2CCC1CC2,0,0,0,0
O=[N+]([O-])c1cc(/C=N/NC(=S)Nc2ccccc2Cl)ccc1Cl,0,0,0,0
CCOC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1,0,0,0,0
C/C=C/c1ccc(OCCCCOc2ccccc2C(C)=O)c(OC)c1,0,0,0,0
CCOC(=O)C(=O)/C(=C\N(C)C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC,0,0,0,0
Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCC(N)=O)n2n1,0,0,0,0
COc1cc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(O)c(OC)c2)ccc1O,1,0,0,1
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(Cl)c(F)c2)CC1,0,0,0,0
COc1ccc(C(CC(C)C)C2CCCCN2)cc1,0,0,0,0
COc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1,0,1,0,0
CCCc1cc(C(=O)N2CCCC(Cc3ccccc3C)(C(=O)OCC)C2)no1,1,0,0,0
O=C(Oc1ccccc1)N1CCCC2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1,1,0,0,0
CCN1CC(C)(C)Oc2nc(N3CC4CCC(C3)O4)nc(-c3ccc(Nc4nnc(C)s4)cc3)c2C1=O,0,0,0,0
COCCCN1C(=O)c2[nH]nc(-c3cc(C)cc(C)c3O)c2C1c1ccc(O)c(OC)c1,1,0,0,0
Cn1c(-c2ccccc2)n[nH]c1=S,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)O)c1,0,0,0,0
Nc1ccn(Cc2ccc(Cl)cc2)c(=O)n1,0,0,0,0
CN1C(C)(C)c2ccccc2OS1(=O)=O,0,0,0,0
CNc1nc(Nc2ccc(-c3nncn3C)cc2OC)ncc1C(F)(F)F,0,0,0,0
CCOC(=O)CC1=CC(=O)Nc2ccccc2N1,0,0,0,0
COc1cc2occ(-c3ccc(OC4CCN(Cc5ccccc5)CC4)cc3)c(=O)c2cc1OC,0,0,0,0
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1ccc(C)cc1,1,0,0,0
COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1OC,0,1,0,0
COc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1Cl,0,0,0,0
C[C@@H]1CN(c2n[nH]c3c(Cl)cccc23)[C@@H](C)CN1C(=O)c1cc2c(C(=O)C(=O)N(C)C)cn(C)c2cc1Cl,0,0,0,0
Cc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(N)(=O)=O)cc2)cs1,0,0,0,0
COc1ccc(-c2cc(N3C[C@H](N)[C@@H](N4CCCCC4=O)C3)ncn2)cn1,0,0,0,0
CCCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(C)c1)C(CC(=O)O)c1ccc2c(c1)CCO2,0,0,0,0
C=CCN1C(=O)C(=C2Sc3ccc(OC)cc3N2C)SC1=NCc1ccccc1,0,0,0,0
FC(F)(F)c1ccccc1OC1CCN(c2ncc3[nH]cnc3n2)CC1,0,0,0,0
Cc1cc(=O)n2nc(NCc3ccc(F)cc3)nc2[nH]1,0,0,0,0
COCCNC(=S)N(Cc1cccnc1)Cc1ccc(OC)c(OC)c1,0,0,0,0
O=S(=O)(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0,0,0
CC(/C=C/c1ccccc1)=N\NC(=O)CCC(=O)Nc1ccccc1C,1,0,0,0
COc1ccc(NC(=O)C2CCCN2c2ccc(OC)c(OC)c2)cc1OC,1,0,0,0
CCCCCOC(=O)CCC(=O)N=c1sc(S(N)(=O)=O)nn1C,0,0,0,1
CCCCC(=O)NN=Cc1c(O)n(C2CC2)c(=S)[nH]c1=O,0,0,0,0
Cc1ccc(C)c(Nc2nc(N)c3ccccc3n2)c1.Cl,0,1,0,0
OC(CNc1ccccn1)c1ccccc1,0,0,0,0
CCOC(=O)c1c(NC(NC(=O)CF)C(Cl)(Cl)Cl)sc2c1CCCC2,0,0,0,0
CCCCN1C(=O)CC(N2CCOCC2)C1=O,0,0,0,0
Cc1ccc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2N)cc1C,0,0,0,0
CCc1nn(CCCN2CCN(c3cccc(Cl)c3)CC2)c(=O)n1CC,0,0,0,0
Cc1c(Nc2c(C#N)cncc2-c2ccc(OCCN3CCOCC3)cc2)ccc2[nH]ccc12,0,0,0,0
COc1cc(N2CCNCC2)cnc1Br,0,0,0,0
CC(=O)OC1C(C)=CC(=O)C(OC(C)=O)C(C)(C)C=CC(C)C(=O)C2(OC(C)=O)CC(C)C(OC(=O)c3ccccc3)C12,0,0,0,0
C[C@H]1C[C@H](CNS(=O)(=O)C(F)(F)F)CCN1S(=O)(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1F,0,0,0,0
O=c1nc(OC[C@@H]2COCCO2)cc2n1CCc1cc(NCC3CCOCC3)ccc1-2,0,0,0,0
c1ccc(CC2CCCNC2)cc1,0,0,0,0
CC1Nc2ccc(C(=O)NC3CCCCC3)cc2NC1=O,0,0,0,0
CC(c1ccccc1)(c1ccccc1)c1ccncc1,0,0,0,0
CCOC(=O)Cn1nc(C=Cc2ccc(C)cc2)ccc1=O,1,0,0,0
COc1ccc(OC)c(CNc2ccc(F)c(Cl)c2)c1,0,0,0,0
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc(C)c1O,0,0,0,0
CCOC(=O)Cc1csc(NC(=O)CSc2nnnn2-c2ccc(CC)cc2)n1,1,0,0,0
Cc1nc2cccc(-c3c[nH]c(C(N)=O)c3)c2nc1NC(C)(C)C,0,0,0,0
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(-c2ccccc2)s1,0,0,0,0
CN(C)C(=O)c1ccc(-c2nc(N(C)C)c3ccccc3n2)cc1,1,0,0,0
O=C(O)c1ccc2c(c1)[nH]c(=O)c1ccncc12,0,0,0,0
CCCSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,0,0,0,0
O=C(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccc(I)cc1)NCCO,0,0,0,0
O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)/C1=C/NCCCn1ccnc1,0,0,0,0
OC1(C(F)(F)F)c2ccccc2-c2c(Br)cc(Cl)cc21,0,0,0,0
CCOC(=O)C(C)Sc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
CC1=CC(=O)O/C1=C\C=C(/C)CC[C@@H]1[C@@]2(C)CCC[C@@]3(C)C(O)O[C@@H](C[C@@]1(C)O)[C@H]23,0,0,0,0
CN(C)c1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1,0,0,0,0
CCOC(=O)CN1C(=O)CC(c2ccccc2)C1=O,0,0,0,0
Oc1ccc(-c2cnc(-c3cccc(O)c3)s2)cc1,0,0,0,0
CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/C(c2ccccc2)c2ccccc2)c1,1,0,0,0
Cc1c(-c2ccnc(N)n2)sc2ccc(C(N)c3ccccc3)cc12,0,0,0,0
O=C(N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1)c1cccc2cccnc12,0,0,1,0
CSc1nn2cc(-c3nc4cc(F)c(F)cc4o3)nc2s1,0,0,0,0
CCc1cc(-c2n[nH]cc2-c2ccc(OC)cc2)c(O)cc1O,0,0,0,0
N#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(F)cc2)cc1,0,0,0,0
COc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0,0,0,0
CCNC(=O)Cn1cnc(C)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2CN)CC1,0,0,0,0
CC1CN=C(Nc2ccc(F)c(Cl)c2)S1,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CCC[C@H]2C[C@H]3CCN(CCc4c[nH]c5ccccc45)C[C@H]3N2C1=O,0,0,0,0
Cc1nc(N)ccc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CC(C)(C)OC(=O)NCCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c21,0,0,0,0
CC1c2c([nH]c3ccc(C(F)(F)F)cc23)CC2CCN(Cc3ccccc3)CC21,0,0,0,0
C[C@H](Nc1ncnc2c1sc1ccccc12)c1ccccc1,0,0,0,0
COc1ccc2cc(/C=C3\SC(c4ccc(Cl)cc4)=NC3=O)ccc2c1,0,0,0,0
CCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1,0,0,0,0
COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5C)CC4)cc2)CC3)cc1,0,0,0,0
CCCC1(C(=O)O)NC(c2ccc(OC)cc2O)C2C(=O)N(c3ccc(OC)cc3)C(=O)C21,0,0,0,0
CC(C)OC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,0,0,0,0
COc1cccc(CNc2ccc(F)c(Cl)c2)c1,0,0,0,0
Oc1ccccc1-c1nc2cnccn2c1Nc1ccc(Cl)cc1,0,0,0,0
FC(F)(F)c1cnc(-c2cnc(-c3ccncc3)nc2)c(Cl)c1,0,0,0,0
Cn1c(Cc2ccc3c(c2)OCO3)nnc1SCC(=O)NC(C)(C)C,0,0,0,0
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)CCC1CCCC1,0,0,0,0
N#C[C@@H]1CCCCC1n1cc(C(N)=O)c(Nc2ccc3c(c2)CCC(=O)N3)n1,0,0,0,0
O=c1ccc2cc(S(=O)(=O)Nc3ccc(Br)cc3)ccc2o1,0,0,0,0
CS(=O)(=O)N1CCC(COc2c(C3CCC3)ccc(-c3cnc(N)cn3)c2F)CC1,0,0,0,0
COc1cccc(Cc2ccn3nc([C@H](C)Nc4ncnc(N)c4C#N)n(-c4ccccc4)c(=O)c23)c1,0,0,0,0
c1ccc2cc(Cn3cc(CN(Cc4cn(Cc5ccc6ccccc6c5)nn4)Cc4cn(Cc5ccc6ccccc6c5)nn4)nn3)ccc2c1,0,0,0,0
Cc1ccccc1C(=O)Oc1c(Sc2ccccc2)c(C)nn1C(C)(C)C,0,0,0,0
O=C(c1cccc2nc3ccccc3nc12)N1CCOCC1,0,0,0,0
O=C(CNC(=S)NC(=O)c1ccco1)c1ccccc1,0,1,0,0
CC(C)n1cc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1,0,0,0,0
CCC(C)C=C(C)C=CC(=O)C1=C(O)C(C)(O)C(O)CC1,0,0,1,0
CC(C)(C)CC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
Cc1cccc2cc(Cn3nc(-c4ccc(Cl)c(O)c4)c4c(N)ncnc43)n(C(C)C)c(=O)c12,0,0,0,0
Cc1cccc(C2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3)CC2)n1,0,0,0,0
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2C#N)CC1,0,0,0,0
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1/N=C1\S/C(=C2\SC(c3ccccc3)=NN2c2ccccc2)C(=O)N1c1ccccc1,0,0,0,0
O=C1C(O)=CC(=C(c2ccccc2)c2ccccc2)c2ccccc21,0,0,0,0
O=C(Nc1ccccc1Br)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1,1,0,0,0
COc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)cc1,0,0,0,0
O=C(c1cc2ccccc2o1)c1nc2c(n1O)CCCCC2,0,0,0,0
CCN1CCN(CC(=O)N2N=C(c3cccs3)CC2c2ccc(OC)c(OC)c2)C(=O)C1=O,0,0,0,0
CCOC(=O)C1=C(COc2ccc(C)cc2)NC(=O)NC1c1cc(C)ccc1C,0,0,0,0
O=C(COCC(=O)Nc1c(I)cc(I)c(C(=O)O)c1I)Nc1c(I)cc(I)c(C(=O)O)c1I,0,0,0,0
CCOC(=O)CCn1nnc(N)n1,0,0,0,0
COc1cccc(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,0,0,0,0
Nc1cccc2c1C(=O)C(NS(=O)(=O)c1ccccc1)=C(Nc1ccccc1)C2=O,0,0,0,0
CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
COc1cccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)c1,1,0,0,0
Cn1c(CN2CCC(C(C)(C)O)CC2)nc2c(N3CCOCC3)nc(-n3c(C4CCCO4)nc4ccccc43)nc21,0,0,0,0
O=C1NCC(Cc2cccc3ccccc23)N(CCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1=O,1,0,0,0
c1ccc(-c2nc(NCc3ccco3)c3oc4ccccc4c3n2)cc1,0,0,0,0
O=C(NN1CC(C(=O)OCc2ccc(Cl)cc2Cl)CC1=O)c1ccccc1,1,0,0,0
COC(=O)c1ccc(Nc2nc(SCc3cc(C)on3)n[nH]2)cc1,0,0,0,0
c1ccc(Cn2c(-c3ccc(OCC(CC4CCNCC4)n4c(-c5ccccc5)nc5ccccc54)cc3)nc3ccccc32)cc1,0,0,0,0
CN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)S(C)(=O)=O,0,0,0,0
N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(N)=O,1,0,0,0
Nc1nc(Cl)cc(N2CCOCC2)n1,0,0,0,0
CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(F)F)cc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
COc1ccccc1-c1nc(N)nc2c1C(=O)c1ccccc1-2,0,0,0,0
CC(C)(C)c1ccc(N2C(=O)Cc3c2nc(N)c(C#N)c3N)cc1,0,0,0,0
Cc1nc(C)c(-c2ccc(SCc3cccc(F)c3)nn2)s1,1,0,0,0
Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1,0,0,0,0
CC1(C)Oc2cc(C(=O)c3cscn3)cc(O)c2[C@@H]2C[C@H](O)CC[C@H]21,0,0,0,0
N=C(N)Nc1nc(CSCCC(=N)NS(N)(=O)=O)cs1,0,0,0,0
CC(=O)Nc1nc(-c2ccc(C)cc2)cc(-c2ccc(C)cc2)n1,0,0,0,0
Cc1nc2ccccn2c1C(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
CC1(C)Oc2ccc3ccc(=O)oc3c2C(C=NO)C1=O,0,0,0,0
COc1ccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)cc1,1,0,0,0
CCCC[C@]1(CC)CS(=O)(=O)c2ccc(C3CCNC3)cc2[C@@H](c2ccc(F)cc2)[C@H]1O,0,0,0,0
CN(Cc1nc2ccc(F)cc2[nH]1)Cc1nc(CC2CC2)no1,0,0,0,0
COc1ccc(C=C2Sc3ccc(C(=O)NCc4cccnc4)cc3N(C)C2=O)cc1OC,1,0,0,0
CC(C)CN(CC(C)C)c1nc(-c2ccc(Cl)cc2)nc2ccccc12,0,0,0,0
O=C(Nc1nc(COc2ccccc2)cs1)C1CCC1,0,1,0,0
Cn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,0,1,0,0
COc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1,0,0,0,0
O=C(Nc1nccs1)c1ccc(-c2ccccc2Cl)o1,1,1,0,0
CCOC(=O)c1sc(N)nc1C(C)(C)C,0,0,0,0
O=S(=O)(NC1CCCCC1Oc1ccccc1)c1ccccc1,0,0,0,0
CC(=O)c1c(C)n(CC2CCCO2)c2ccc(O)cc12,0,0,0,0
O=C(OCCOCCN1CCCCC1)N1c2ccccc2Sc2cccnc21,0,0,0,0
CCOc1ccc(Oc2c(/C=N/NC(C)=O)c(C)nn2-c2ccccc2)cc1,0,0,0,0
Cc1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,0,0,0,0
C[C@H]1CN2CCN(Cc3ccccc3O)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
COC(=O)C1C(=O)C(=CNCC(C)NC=C2C(=O)CC(C)(C)C(C(=O)OC)C2=O)C(=O)CC1(C)C,0,0,0,0
N#CCC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,0,0,0
CC(C)(C)N1CC(=O)N2[C@H](c3ccc(Cl)cc3Cl)c3[nH]c4ccccc4c3C[C@@H]2C1=O,0,0,0,0
CC(C)c1cc(NCC2CCCO2)n2c(nc3ccccc32)c1C#N,0,0,0,0
CC(C)(C)c1ccc(-c2cn(-c3ccc(Br)cc3)c3[n+]2CCCS3)cc1,1,0,0,0
CN(C)c1cccc(C(=O)N2CCCC(C(=O)c3cc(F)ccc3F)C2)c1,0,0,0,0
CC(=Nc1ccc(C)c(C)c1)C1C(=O)CSC1=O,0,0,0,0
CN(Cc1cnc2nc(N)[nH]c(=O)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1,0,0,0,0
Cc1ccc(C(=O)n2cc(-c3ccc(Cl)nn3)c3ccccc32)cc1,1,0,0,0
CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C(=O)NS(C)(=O)=O)c2)c1,0,0,0,0
CC(=NNc1ccc(S(=O)(=O)N2CCCCC2)cn1)c1cccc(Br)c1,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1,0,0,0,0
CC(C)Oc1ccc(-c2nnc(-c3ccnn3C)s2)cc1Cl,0,0,0,0
CSc1nc(/C=C2\C=Nc3ccccc32)c(O)n1C,0,1,0,0
N#Cc1c2c(c(SCc3ccc(Cl)cc3)[nH]c1=O)CCCC2,0,0,0,0
Cc1ccc(Nc2nc(-c3c(C)n(C)n(-c4ccccc4)c3=O)c(C)s2)cc1,0,0,0,0
COc1ccccc1-c1cc(-c2ccc(C)cc2)nc(SCc2nnc(-c3ccccc3)o2)c1C#N,1,0,0,0
CCO/N=C(/C)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O,0,0,0,0
CCCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S,0,0,0,0
COc1ncc2nc(-c3ccccc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2coc3cccc(c23)N1C,0,0,0,0
COc1ccc(NS(=O)(=O)c2cc(-c3nnnn3C)ccc2OC)cc1,0,0,0,0
Nc1ncnc2c1sc1cc(-c3ccccc3O)ccc12,0,0,0,0
CC1CC(C)CN(CCOc2ccc(Br)cc2)C1,0,0,0,0
CC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,0,0,0,0
CCOc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1,0,0,0,0
CC1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccccc2)cc1,0,0,0,0
COc1ccc(CCN2C(=O)CN(C3CCCCCC3)C(=O)C2c2ccc(OC(C)C)c(OC)c2)cc1OC,0,0,0,0
BrC(=C\c1ccccc1)/C=N/Nc1ccc2nncn2n1,0,1,0,0
COc1ccnc(Nc2cc(C)cc(-c3cccc(C(=O)O)c3)c2)n1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)c(F)c1,0,0,0,0
CSc1cc(C)n(-c2ccccc2C)c(=S)c1C(C)=O,0,0,0,0
O=C(c1ccc(-c2ccc3oc(CCN4CCCC4)cc3c2)nc1)N1CCOCC1,0,0,0,0
CCNC(=O)n1cc(-n2cncn2)c(-c2ccc(Cl)cc2)n1,0,0,0,0
Cc1c(C(=O)N(c2ccccc2)c2ccc(O)cc2)cc(-c2cc3c(cc2C(=O)N2Cc4ccccc4C[C@H]2CCN2CCOCC2)OCO3)n1CCO,0,0,0,0
Cc1cc2c(cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)OCC(=O)N2,0,0,0,0
CN(Cc1ccco1)c1ncnc2ccc(-c3ccccc3Cl)cc12,0,0,0,0
Cc1nc(NC(C)c2cccc(OCCN(C)C)c2)cc(-c2ccc3occ(C)c3c2)n1,0,0,0,0
Cc1ccccc1Nc1nnc(SCC(=O)c2cc3ccccc3o2)s1,1,0,0,0
Cc1ccccc1OCCN1C(=O)c2ccccc2C1=O,0,1,0,0
CN(C)c1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
O=C(N[C@H]1CCCN2c3c(ccc(Cl)c3Cl)Oc3ccccc3[C@H]12)C(F)(F)F,0,0,0,0
CCCCCCNc1cc[n+](-c2ccccc2)c2c(-c3ccccc3)cc(OC)cc12,0,0,0,0
CN1CCN(C=Nc2c(C#N)c(-c3ccccc3)c(-c3ccccc3)n2Cc2ccco2)CC1,1,0,0,0
O=C(c1c[nH]c(=O)n(-c2ccccc2)c1=O)N1CCc2ccccc21,0,0,0,0
CC1(C)CN=C(Nc2ccc(F)c(F)c2)S1,0,0,0,0
CN[C@@H](Cn1c(=O)c2c(n(Cc3c(F)cccc3F)c1=O)CCN(Cc1ccc(Cl)cc1)C2)c1ccccc1,0,0,0,0
C[C@@H]1CN(Cc2ccccc2)c2ccccc2[C@H](C)N1S(=O)(=O)c1cn(C)cn1,0,0,0,0
Cc1ccc(OC(C)(C)[C@H]2OC[C@@H](C/C=C\CCC(=O)O)[C@@H](c3cncs3)O2)c([N+](=O)[O-])c1,0,0,0,0
CCN(CC)C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CC(CC(=O)c1cccs1)CC(=O)c1cccs1,0,1,0,0
CCOC(=O)Cn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F,0,0,0,0
CNS(=O)(=O)c1ccc(N(C)CC(F)(F)F)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
Cc1sc2[nH]c(CC(N)=O)nc(=O)c2c1-c1ccccc1,0,0,0,0
CC(C)(C)n1nnnc1C(c1ccc(C(F)(F)F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1,0,0,0,0
O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ncn1N1CCCCC1,0,0,0,0
O=C(C1CCN(C2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1)N1CCCCCC1,1,0,0,0
COC[C@H]1OC(=O)/C(=C/N2CCN(C)CC2)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)[C@@H](O)CC[C@@H]34)[C@]21C,0,0,0,0
O=C(O)CCC(=O)N(Cc1cccnc1)Cc1cccc(F)c1,0,0,0,0
CC1CCC(n2c3cnccc3c3cnc(Nc4ccc(N5CCC6(CCC(=O)N6)CC5)cn4)nc32)CC1,0,0,0,0
N#Cc1c2c(c(-n3cnc4ccccc43)n3c1nc1ccccc13)CCC2,0,0,0,0
CC1CC(N(C(=O)c2ccccc2Cl)c2ccccc2)c2ccccc2N1,0,0,0,0
c1ccc(CN2CCC3CN(c4ncnc5oc(-c6cccnc6)nc45)CC32)cc1,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1,1,0,0,0
CC(C)NC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
CCC(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,0,0,0,0
COc1cccnc1Nc1cccc(C)n1,0,0,0,0
Cc1ncccc1Oc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12,0,0,0,0
CCOC(=O)/C=C1\SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1,1,0,0,0
CN1C(=O)CCC1c1cc2[nH]c(-c3nc(CC(=O)O)cs3)cc2cc1Oc1ccc(S(C)(=O)=O)cc1,0,0,0,0
O=c1c([N+](=O)[O-])cccn1Cc1cccc(Cl)c1,0,0,0,0
Cc1onc(-c2ccc(Cl)cc2)c1-c1cc[nH]n1,0,0,0,0
O=[N+]([O-])c1ccc(SC(=S)N2CCOCC2)c([N+](=O)[O-])c1,0,0,1,0
CCc1cc(C(=O)Nc2sc(C)c(CC)c2C#N)no1,0,1,0,0
CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1,0,0,0,1
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc(NC(=O)C3CSC4(C)CCC(=O)N34)cc2)CC1,1,0,0,0
Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(Br)ccc4n1c23,0,0,0,0
CCCCSP1(=S)NCCCN1,0,0,0,0
O=C1c2ccccc2C(=O)N1CC1CCCO1,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1C[C@H](CO)[C@@H](O)[C@H]1O,0,0,0,0
CCOc1ccccc1C(=O)N1CCC(n2nnc3cc(C)ccc32)CC1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
CN1C(=O)Cc2cc(S(=O)(=O)CCC(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc21,0,0,0,0
Cc1cc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(O)nc2cc1C,1,0,0,0
CN(Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1)c1ccc2nc(N)[nH]c(=O)c2c1,0,0,0,0
CC[C@@H](CC(=O)O)n1c(=O)c2cnccc2n(Cc2nsc3cc(C)cc(C)c23)c1=O,0,0,0,0
N=C(N)c1cccc(-n2ccnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0,0,0,1
Cc1ccc(C2=NN(CC(=O)NCCN(C)C)C(=O)CC2)cc1,0,0,0,0
Cc1ccncc1Nc1cc(=O)n(C)c2c1cnn2-c1cc(F)ccc1F,0,0,0,0
NCCCCCCNC(=O)Cn1c(-c2ccc3ccccc3c2)nc2ccc(Br)cc2c1=O,0,0,0,0
O=C1OCc2ccc(OCc3ccc(I)cc3)cc21,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21,0,0,0,0
CCOc1ccc2[nH]nc(-c3cc(N4CCN(C)C(=O)C4)ncn3)c2c1,0,0,0,0
CC1Cn2c(nnc2-c2cccc(N)c2)S1,0,0,0,0
COc1ccccc1Nc1sc(C(=O)c2ccc3c(c2)OCO3)c(N)c1S(=O)(=O)c1ccccc1,1,0,0,0
O=[N+]([O-])c1cc(CSC2=NCCN2)ccc1O,0,0,0,0
COC(=O)NC(Cc1ccc(N=C(N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,0,0
O=C(Cn1cc(S(=O)(=O)c2ccccc2)c(=O)c2cc3c(cc21)OCO3)Nc1ccc(Cl)cc1,1,0,0,0
O=C1CC(c2ccco2)CC(O)=C1C=NCCN1CCNCC1,0,0,0,0
COC1(c2cc(OCc3ccc4c(ccc(=O)n4C)c3)cc(F)c2C)CCOCC1,0,0,0,0
CC(C)(C)c1cc(CN2CCN(CCO)CC2)cc(C(C)(C)C)c1O,0,0,0,0
Cc1nc(-c2cccc(F)c2)sc1COc1ccc2c(c1)OCC2CC(=O)O,0,0,0,0
Cc1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1,0,0,0,0
CC(C)CN(CC(C)C)C1=NC(=Cc2ccco2)C(=O)N1c1ccccc1,0,0,0,0
COc1ccc(C(=O)OCC(=O)c2ccc(CNC(C)=O)s2)cc1,0,1,0,0
CC(C)C(=O)N[C@@H]1CCN(c2cccc3c2CCO3)C1,0,0,0,0
CC(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,0,0,0,0
Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1Cl,1,0,0,0
O=C1NC2CC2N1C(=O)OCc1ccccc1,0,0,0,0
COc1cc(CN(CC(C)C)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
CCC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1-c1ccccc1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1c(O)cccc1OC)NC2,0,0,0,0
CCn1c(SCC(=O)NN=CC=Cc2ccco2)nnc1-c1ccccc1,0,0,0,1
COc1ccc(C)cc1NC(=O)Nc1ccc(Br)cn1,1,0,0,0
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O,0,0,0,0
COC(=O)c1ccc2c(=O)n(C3CCCCC3)c(SCC#N)nc2c1,0,0,0,0
O=c1cc2nc(-c3ccccc3)nc(SCc3cccc(Br)c3)n2[nH]1,0,0,0,0
C=CC(=O)Nc1nc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,1,0
C=CCNC(=S)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1,0,0,0,0
COC(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F,0,0,0,0
Cc1cc2c(cc1-c1cc(CCC(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C,0,0,0,0
CCCCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccc(OC)cc1,0,0,0,0
CCNC(=O)c1ccc(-n2ncc3c(CN4C(=O)[C@@H](NC(=O)[C@H](C)NC)[C@H](C)Oc5ccccc54)cccc32)c(C#N)c1,0,0,0,0
CN(C)CCOc1cc(F)cc(N2CC3CNCC(C3)C2)c1,0,0,0,0
COc1ccc2c(c1)C(CCCCN1CCN(c3ccccc3OC)CC1)CCC2,0,0,0,0
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1F,0,0,0,0
CN(c1nc2ccccc2s1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
O=C(Nc1ccc2nc(-c3ccc4nc[nH]c4c3)[nH]c2c1)c1cccs1,0,1,0,0
COc1cc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc(Br)c1OC,0,0,0,0
N#Cc1c(-c2ccc(F)cc2)cc(C2CC2)nc1SCC(=O)c1cccs1,1,0,0,0
O=C(c1cnccn1)N1CCC2(CCCN(C(c3ccccc3)c3ccccc3)C2)CC1,1,0,0,0
NS(=O)(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1,0,0,0,0
Nc1ncnc(N2CCN(C(CN3CCCCC3)c3ccc(F)cc3)CC2)c1-c1ccc(F)cc1,0,0,0,0
Cc1ccccc1CNCc1cccnc1,0,0,0,0
O=C(c1ccccc1)c1cnc2c(C(F)(F)F)ccc(-c3cccc(OCc4ccc(C(Cc5ccc(-c6ccccc6)cc5)C(=O)O)cc4)c3)c2c1,0,0,0,0
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,0,0,0,0
CSc1nn(-c2ccccc2)c2c(OCC3CCNCC3)cccc12,0,0,0,0
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)C2c2ccc(C)o2)c1,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc(NS(=O)(=O)CCC(F)(F)F)c2F)n1,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NC1CCOCC1,0,0,0,0
COc1cccc(CNS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)c1,0,0,0,0
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)COC)nc21,0,0,0,0
COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(oc12)CCNC3,0,0,0,0
Cc1cccc(NC2=NC(=O)NC(=O)C2)c1,0,0,0,0
Cc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1F,1,0,0,0
COc1ccc2c(c1)CCCN(C)CCc1ccccc1C2,0,0,0,0
CC(C)(C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
CN1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1,0,0,0,0
COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC(CCCO)C3)cc2)CC1,1,0,0,0
COc1ccc2c(c1)Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc1-2,0,0,0,0
Cn1c(=O)c2c(nc(Oc3ccccc3Br)n2C)n(C)c1=O,0,0,0,0
N#C[C@@H]1CC(NCC(=O)O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1,0,0,0,0
CN1C[C@@](C)(c2cc(F)cc(F)c2)N(CC#Cc2ccc3c(c2)C[C@@]2(C3)C(=O)Nc3ncccc32)C(=O)C12CCCC2,0,0,0,0
N#CC1(Nc2nc(Cl)nc(NC3CC3)n2)CCCCC1,0,0,0,0
CCOC(=O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12,1,0,0,0
Cc1ccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2C)cc1,0,0,0,0
CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C)c2n1,1,0,0,0
O=[N+]([O-])c1cnc(N2CCCCC2)c([N+](=O)[O-])c1,0,0,0,0
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(/C=C/C(N)=O)ccc2c1=O,0,0,0,0
N#CCC(CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1cccc(C(F)(F)F)c1,0,0,0,0
CC(=O)Nc1cccc(-c2csc(NCc3ccco3)n2)c1,0,1,0,0
COc1ccccc1N1CCN(CC2CO[C@@H](c3cccc4ccccc34)O2)CC1,0,0,0,0
COc1ccc(Cc2noc(CN(C)C3CC(C)(C)NC(C)(C)C3)n2)cc1OC,0,0,0,0
COc1ccc(C(=O)C2=C(O)C(=O)N(c3cc(C)on3)C2c2ccc(OC)c(OC)c2)cc1OC,1,0,0,0
CCCN1CCN(C(=O)c2oc3c(Cl)cccc3c2C)CC1,0,0,0,0
COc1cc(Br)c2occ3c2c1[C@H](CN)CC3,0,0,0,0
C=C(Cl)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
O=C1CCCN1CC(O)CS(=O)(=O)c1ccccc1,0,0,0,0
N#C/C(=C\c1cc(Cl)cc(Cl)c1O)C(=O)NC1CCCCC1,1,0,0,0
NC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O,0,0,0,1
CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4cccc(O)c4)c3cc21,0,0,0,0
N#Cc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1,0,0,0,0
COc1cc(N(c2ccc(Cl)cc2)C(C2CC2)C(F)(F)F)cnc1C(=O)C1CC1C(=O)O,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
COc1ccc(Oc2c(C(F)(F)F)oc3cc(OCC(=O)O)ccc3c2=O)cc1,0,0,0,0
Clc1ccc(-c2cc(C3CCN(CCc4ccccc4)CC3)n(-c3ncccn3)n2)cc1,0,0,0,0
Cc1ccc(C(=S)N2CCCCCC2)cc1,0,0,0,0
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1,0,0,0,0
CCN(CC)C(=O)c1ccc(N(c2cccc(NC(=O)OC)c2)C2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
O=S(=O)(c1cccc(-c2ccccc2)n1)N1CCC(N2CCOCC2)CC1,0,0,0,0
COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)c(Cl)c1,1,0,0,0
COc1ccc(S(=O)(=O)n2cc(C3=C(Cl)CN(C)C3)c3ccccc32)cc1,0,0,0,0
O=C(c1ccc2c(c1)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1,0,0,0,0
O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1,1,0,0,0
CC1=NC(=Cc2cc(Br)cc(Br)c2O)C(=O)O1,0,0,0,0
COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21,0,0,0,0
O=C1OCc2ccc(OCc3cccc(Br)c3)cc21,0,0,0,0
O=C(O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,0,0,0,0
CNC(=O)CCc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3c(F)cccc3Cl)ccc12,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(C(C)=O)cc3)c(O)c2n(CCC)c1=O,0,0,0,0
O=C(O)Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21,0,0,0,0
COc1cc([C@@H]2CCNC[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
CCS(=O)(=O)c1ccc2c(c1)-c1cn(C)c(=O)cc1OCCCCc1cc(F)ccc1O2,0,0,0,0
CCOC(=O)c1sc(NCc2ccco2)c(-c2nc3ccccc3s2)c1N,1,0,0,0
COC(=O)c1cccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)c1,0,0,0,0
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-n2cc(CN3CCNCC3)nn2)cc1,0,0,0,0
Cc1cc(C)cc(NC(=O)Cn2ncn3c(cc4ccccc43)c2=O)c1,1,0,0,0
Clc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1,0,0,0,0
CO[C@]1(c2cccc(O)c2)CCCC[C@@H]1CN(C)C,0,0,0,0
COc1cc(OC)c(OC)cc1C=CC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1)C(=O)O,0,0,0,0
O=C(c1ccc(F)cc1F)N1CCN(c2ncccn2)CC1,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3cccc(S(=O)(=O)N(C)C)c3)c2)cc1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NC1CCN(C(=O)OCC)CC1,0,0,0,0
COc1ccc(CNc2nc3[nH]c(C)c(Cl)c(=O)n3n2)cc1,0,0,0,0
CCCCSC1=NC(=Cc2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
COC(=O)c1ccc2c(c1)[nH]c(=O)c1ccncc12,0,0,0,0
CCCn1c(Br)nc2c(N)nc(NCCCc3ccccc3)nc21,0,0,0,0
O=C1c2ccccc2N2C(=O)c3ccccc3C2N1c1ccccc1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(OC(F)F)cc3)c(F)c2)CC1,0,0,0,0
O=C(O)CCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2,0,0,0,0
O=C(O)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,0,0,0,0
Cc1ccccc1-n1c(O)c(/C=C2/C(c3ccccc3)=Nc3ccccc32)c(=O)[nH]c1=O,0,0,0,0
Cn1ccc(-c2csc([C@@H]3CCCN3C(=O)OC3C4CC5CC(C4)CC3C5)n2)cc1=O,0,0,0,0
Cc1ncc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3cc(Cl)c(O)cc3O)cc2)n1,0,0,0,0
C#CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)COCC2,0,0,1,0
COCCN(CCOC)C1CCN(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1,0,0,0,0
Cc1cc(C)cc(-n2ncc(Cl)c(Oc3ccc(CO)cc3)c2=O)c1,0,0,0,0
COc1ccc(CNC(=O)CC2C(=O)N(CCc3ccccc3)CC2Cc2ccccc2)cc1,1,0,0,0
COc1ccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)cc1,0,0,0,0
Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CC(=O)N(c2cccc3ccccc23)C1,1,0,0,0
CC(C)CCNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
COC1=CC(=O)C(O)=C(C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O,0,0,0,0
O=C(OCCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(CCO)CC1,0,0,0,0
CCn1cc(C(=S)N2CCC(C(N)=O)CC2)c2ccccc21,0,0,0,0
O=C(O)CC1SC(=NN=Cc2ccc([N+](=O)[O-])cc2)N(c2ccc(O)cc2)C1=O,0,0,0,0
Cc1ccc(Nc2c(C(C)C)c(C)c(C#N)c3nc4ccccc4n23)cc1,0,0,0,0
COc1ccc(CNc2nc(N3CCN(C)CC3)nc3c2ncn3C(C)C)cc1,0,0,0,0
O=S1(=O)c2ccccc2-c2ccccc21,0,0,1,0
Nc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(F)(F)F)s1,0,0,0,0
Cc1nnc2n1-c1sc(C#CCN3C(=O)NCc4ccccc43)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
CN1C(=O)c2c(nc(CC3CCCCC3)n2Cc2ccccc2)N2C1=N[C@@H]1CCC[C@@H]12,0,0,0,0
COc1cc2c(cc1OC)C(C(C(=O)N(CCc1ccc(OC)c(OC)c1OC)CCc1ccc(OC)c(OC)c1OC)c1ccccc1)=NCC2,1,0,0,0
Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCc1ccc(Cl)cc1)C(=O)CS2,1,0,0,0
COc1ncc(Nc2ncc([C@@H](C)N3CCN(S(C)(=O)=O)C[C@@H]3C)cc2-c2cc(N)nc(C)n2)cc1F,0,0,0,0
O=C(c1ccccc1)c1ccc2oc(=O)n(C(=O)NCCCCc3ccccc3)c2c1,0,0,0,0
COc1ccccc1-c1nnc2sc(-c3ccc(N(C)C)cc3)nn12,1,0,0,0
COc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C3CCCCC3)cc2c1,0,0,0,0
Cc1ccccc1C[n+]1cccc2ccccc21,0,0,0,0
CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1,0,0,0,0
COC(=O)c1c(-c2ccc(Br)cc2)noc1N,0,0,0,0
Nc1nc2c(cnn2CCN2CCc3ccc(Br)cc3CC2)c2nc(-c3ccco3)nn12,0,0,0,0
CCN(CC(O)(CNc1nc(C)nc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(c1ccc(F)c(F)c1)O2,0,0,0,0
FC(F)(F)c1cc(-c2ccco2)nc(NCCc2ccccc2)n1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)N(C)C2CCCCC2)cn1C,0,0,0,0
COc1cc(C2CC(=O)N(CC(=O)NCc3ccco3)c3ccccc3S2)cc(OC)c1OC,1,0,0,0
O=C1C2C(C(=O)N1Cc1ccco1)C1C=CC2C12CC2,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4C[C@@H](CCCCc4cn(-c5cc6ccc(O)cc6oc5=O)nn4)[C@H]3[C@@H]1CC[C@@H]2O,0,0,0,0
CCOC(=O)C1CCN(C(=O)CSc2cc(=O)n(CC)c3ccccc23)CC1,1,0,0,0
O=c1ccc2ncc(F)c3c2n1C[C@@]3(O)CC12CCC(NCOc3cc(F)ccc3F)(CC1)CO2,0,0,0,0
CCOc1ccc(-n2c(Nc3ccc(Cl)cc3)c3[nH]cccc-3c2=O)cc1,0,0,0,0
CCCN1CCN(S(=O)(=O)c2cnc(O[C@@H](C)COC)c(-c3nc4c(CC)n(C)nc4c(=O)[nH]3)c2)CC1,0,0,0,0
CNc1nc(N2CCC3(CCN(C)C3)C2)nc2ccc(Cl)cc12,0,0,0,0
Cc1c([C@@H](O)CN2CCC3(CCCN3C[C@H](O)c3ccc4c(c3C)COC4=O)C2)ccc2c1COC2=O,0,0,0,0
COC(=O)CC1SC(=O)N=C1Nc1ccc(C)cc1,0,0,0,0
NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(C(=O)Nc4ccccc4C(=O)O)cc3C2=O)cc1,0,0,0,1
COc1ccc(NC(=O)c2ncn[nH]2)cc1,0,1,0,0
O=C(c1ccc(F)cc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1,0,0,0,0
COc1ccc(Nc2cc(Nc3cccc(OC)c3)ncn2)cc1,0,1,0,0
O=C1Nc2ccc(Cl)c(Cl)c2C2(CCCCC2)N1,0,0,0,0
O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1,1,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCC(NCc2ccc(C#N)cc2)CC1,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CCN3c2ncc3ccc(F)cc3n2)c1,0,0,0,0
COC(=O)C(CN1CCC(c2cc(-c3ccc(F)cc3)nn2-c2ncccn2)CC1)c1ccccc1,0,0,0,0
C=C(C)CN(C1Cc2cc(C#N)ccc2N(Cc2cncn2C)C1)S(=O)(=O)c1ccccn1,0,0,0,0
O=C(/C=C/c1ccco1)Nc1nc(-c2ccccn2)cs1,0,1,0,0
CCOC(=O)C1=CSC2=NS(=O)(=O)CCN12,0,0,0,0
CC(C)C(NC(=O)C(=Cc1ccco1)NC(=O)c1ccc(Br)o1)C(=O)O,0,0,0,1
O=c1nc(SCc2ccccc2Cl)[nH]c(-c2ccc(Cl)cc2)n1,0,0,0,0
Cc1ccc(-c2cc(C(=O)O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,0,0,0,0
CCN(CCC#N)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(C)c1,0,0,0,0
CCOP(=O)(OCC)C(Nc1cccc([N+](=O)[O-])c1)c1ccc(N(C)C)cc1,1,0,0,0
CC/C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,0,0,0,1
NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1,0,0,0,0
CC(C)(C)NC(=O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N1CCc2ccccc21,1,1,0,0
O=C(O)CCN1C(=O)CC2(CCCCC2)C1=O,0,0,0,0
Nn1c(CN2CCCCC2)nc2ccccc2c1=O,0,0,0,0
Cc1[nH]nc2c(C)cc(C(=O)N3CCC4(CC3)CC(=O)c3ncccc3O4)cc12,0,0,0,0
OC(CN1CCC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC1)c1ccccc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCP(=O)(OC)OC)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
C=C(C)CC1(NC(C)c2ccccc2)CCCCC1,0,0,0,0
O=C(N1CCCCC1)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
C=C(C)C(=O)Nc1cccc(C2=NOC3(C2)CC(C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1,1,0,0,1
O=C1C(Cl)=C(NCCNc2c3c(nc4ccccc24)CCCC3)C(=O)c2ccccc21,0,0,0,0
O=C(O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
O=C(CCCOc1ccccc1)N1CCCCC1,0,1,0,0
CCCn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,0,0,0,0
CS(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N,0,1,0,0
Cc1cc(F)ccc1Nc1nc2ccc(Cl)cc2n2cnnc12,0,0,0,0
CC1(C)Cc2nc(C3CCOCC3)c3c(c2[C@@H](O)C1)C1(CCCC1)O[C@@H]3c1ccc(C(F)(F)F)cc1,0,0,0,0
O=c1[nH]c(CN2CCOCC2)nc2c1C1CCCN1C(=S)N2c1ccccc1,0,0,0,0
CC(C)NC(=O)CCS(=O)(=O)c1cccc2nonc12,0,0,0,0
CC(=O)Nc1ccc2c(c1)Cc1cc(NC(C)=O)ccc1-2,0,0,0,0
CCOC(=O)C1(C)Oc2ccc(S(=O)(=O)CC)cc2NC1=O,0,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1Cl,0,0,0,0
COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC(OC)C3)cc2)CC1,0,0,0,0
FC(F)(F)c1ccc(Nc2noc3cc(-c4cccc5cnccc45)ccc23)cc1,0,0,0,0
CCOc1ccc(C(=O)C=Cc2cn(CC(O)CN3CCCCCC3)c3ccccc23)cc1,1,0,0,0
COc1ccc2[nH]c(=O)c(CN(CC3CCCO3)C(=O)Nc3ccc(F)cc3)cc2c1,1,0,0,0
CCOC(=O)C1CCN(c2c(N3CCN(c4ccccc4OC)CC3)c(=O)c2=O)CC1,0,0,0,0
CC(C)Cc1cc(C(=O)N2CCCC(CO)(Cc3ccc(F)cc3)C2)no1,0,0,0,0
COc1ccc([C@H](Cc2cc[n+]([O-])cc2)c2ccccc2)cc1OC1CCCC1,0,0,0,0
Nc1nc(Cl)c2[nH]cnc2n1,0,0,0,0
CC(C)(C)c1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1,0,0,0,0
Cc1c(NS(=O)(=O)c2ccc(Br)s2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CCC1CSC(Nc2ccc(C(=O)C=Cc3ccc(Oc4ccccc4)cc3)cc2)=N1,1,0,0,0
Cc1cc2c(N)nc(N)nc2cc1-c1ccccc1,0,0,0,0
CCOc1ccc(-n2c(C)c3c(C)nnc(Nc4ccc5c(c4)CCC5)c3c2C)cc1,0,0,0,0
CN(c1cccc2c1CCCC2c1cnc[nH]1)S(C)(=O)=O,0,0,0,0
COc1ccc(OC)c(CN2CCN(Cc3cc(OC)c(OC)c(OC)c3)CC2)c1,0,0,0,0
CCc1cc2cc(C(=O)Nc3ccccc3F)sc2s1,0,1,0,0
CCCCC1(C(=O)OCC)NC(c2ccc(O)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
O=C(c1nc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1)N1CCCCC1,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1cc(C)ccc1C)C2c1ccc(OC)cc1,1,0,0,0
COc1ccc2c(c1)c1c(n2S(=O)(=O)c2cccc3ccccc23)CCCC1CN(C)C,0,0,0,0
CS(=O)(=O)N1CCC[C@H](Nc2ncccc2-c2cnc3[nH]cc(C4CC4)c3n2)C1,0,0,0,0
Cc1ccc(N=C(NOCc2ccc(Cl)cc2Cl)c2nonc2N)c(C)c1,0,0,0,0
O=C1C(=Cc2ccccn2)SC(=S)N1Nc1ncc(C(F)(F)F)cc1Cl,0,0,0,0
O=C(Nc1ccc2c(c1)OCO2)c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12,1,0,0,0
CC(CN1CCOCC1)Nc1nc2ccc(-n3cnc4cnc5cnc(-c6ccccc6)cc5c43)cc2s1,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3ccccc3Cl)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,0,0,0,0
O=C(CNc1ccc2ccccc2c1)N/N=C/C=C/c1cccc([N+](=O)[O-])c1,1,0,0,0
O=C(O)CCCCCCCCn1cc(-c2ccccc2)c(-c2ccccc2)n1,0,0,0,0
Cc1cc(C)c(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1,0,0,0,0
CC(Nc1ncc(C#N)c(N2CCc3ccccc3C2)n1)c1ccccc1,0,0,0,0
CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
Cc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,0,0,0,0
C[C@@H]1NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O,0,0,0,0
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1CC1=C(c2cc(F)cc(-c3ccc(C(=O)O)cc3C(F)(F)F)c2)CCC(C)(C)C1,0,0,0,0
C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(-c2ncnc3c2cc(C(N)=O)n3C)cc1,0,0,0,0
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
c1ccc(-c2nnc3c4c(c(OCc5cnccn5)nn23)C2CCC4CC2)cc1,0,0,0,1
CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(-c3ccc(F)cn3)cc2)[nH]1,0,0,0,0
CCCCOC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3OC(OC)[C@H](F)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
C=CCc1ccccc1OCC(=O)N/N=C/c1ccc(OC(C)=O)cc1OC(C)=O,1,0,0,0
COc1cccc(C(C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1F,0,0,0,0
C#CCN1C(=O)C2(C(C#N)=C(N)OC(C)=C2C(=O)OCc2ccccc2)c2ccccc21,0,0,0,0
N#CC1=C(N)Oc2c(ccc3ccccc23)C1c1cccs1,1,0,0,0
COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c1,0,0,0,0
COC(=O)c1ccc(Oc2cc(C)nc(-n3nc(C)cc3C)n2)cc1,1,0,0,0
Cc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0,0,0,0
CN(CCCCCCCCN(C)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21)CCCCCCNCC(=O)N1c2ccccc2C(=O)Nc2cccnc21,0,0,0,0
COc1ccc2cc(C=NNC(=O)c3ccc(CN(c4ccc(C)c(C)c4)S(C)(=O)=O)cc3)c(Cl)nc2c1,1,0,0,0
CC(=O)C1=C(C)NC(=O)NC1c1cccc([N+](=O)[O-])c1O,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cccc(C(F)(F)F)c3)c2=O)cc1,0,0,0,0
COc1cc(S(=O)(=O)c2cc(F)cc(Cl)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CN1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1,0,0,0,0
COc1ccc(OC)c(N2C(=O)c3cccnc3C2=O)c1,0,0,0,0
CCC1=NN2C(=N)/C(=C/c3ccc(OS(=O)(=O)c4ccccc4)cc3)C(=O)N=C2S1,1,0,0,0
CN([C@@H]1CCC2=C(C1)C1C=CC=CC1N2CC(=O)O)S(=O)(=O)c1ccc(F)cc1,0,0,0,0
COc1cnc(Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)c(-c2nc(C)nc(N)n2)c1,0,0,0,0
COc1cc(OC)c(NC(=O)c2ccc(Cc3cc4c(cc3C)C(C)(C)CCC4(C)C)o2)c(OC)c1,0,0,1,0
COc1ccc2occ(C=Nc3ncn[nH]3)c(=O)c2c1,0,0,0,0
CCOC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21,0,0,0,0
NC(=O)c1cc(-c2ccnc(N)n2)[nH]c1-c1ccc2ccccc2c1,0,0,0,0
COc1cc(-c2c(-c3cccc(C)c3)oc3ccccc23)cc(OC)c1OC,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)c1cn(CC[C@H]2O[C@@H]3O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)[C@@H](O[C@H]6[C@H](O)[C@@H](O)[C@@H](O[C@H]7[C@H](O)[C@@H](O)[C@@H](O[C@H]8[C@H](O)[C@@H](O)[C@@H](O[C@H]9[C@H](O)[C@@H](O)[C@@H](O[C@H]2[C@H](O)[C@H]3O)O[C@@H]9Cn2cc([C@]3(O)CC[C@H]9[C@@H]%10CCc%11cc(O)ccc%11[C@H]%10CC[C@@]93C)nn2)O[C@@H]8Cn2cc([C@]3(O)CC[C@H]8[C@@H]9CCc%10cc(O)ccc%10[C@H]9CC[C@@]83C)nn2)O[C@@H]7Cn2cc([C@]3(O)CC[C@H]7[C@@H]8CCc9cc(O)ccc9[C@H]8CC[C@@]73C)nn2)O[C@@H]6Cn2cc([C@]3(O)CC[C@H]6[C@@H]7CCc8cc(O)ccc8[C@H]7CC[C@@]63C)nn2)O[C@@H]5Cn2cc([C@]3(O)CC[C@H]5[C@@H]6CCc7cc(O)ccc7[C@H]6CC[C@@]53C)nn2)O[C@@H]4Cn2cc([C@]3(O)CC[C@H]4[C@@H]5CCc6cc(O)ccc6[C@H]5CC[C@@]43C)nn2)nn1,0,0,0,0
Cc1ccc(OCCCN2C(=O)C(=O)c3cc(C)ccc32)cc1,0,0,0,0
CCOc1ccc(CCNC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1OCC,1,0,0,0
CC1CCc2sc(C(=O)OCC(N)=O)cc2C1,0,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3cc(Cl)c(O)c(OC)c3)nc2n1,0,0,0,0
O=C1NC(=O)N(C2CCN(C(=O)C34CC5CC(CC(Br)(C5)C3)C4)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1,0,0,0,0
CN1CCC[C@@H](CNc2nc(Nc3cccc(-n4ccnn4)c3)ncc2F)C1,0,0,0,0
C=CCSC1=N/C(=C\c2sccc2C)C(=O)S1,0,0,0,0
CCN(CC)CC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0,0,0
Nc1ccccc1NC(=O)NC(=O)c1ccccc1,0,1,0,0
COc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCCC2)c1,0,0,0,0
CC(C)CCN1C(=O)CCC1(C)C(=O)NC1CCCCCCC1,0,0,0,0
N#Cc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3,0,0,0,0
C=CCn1c(C)cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c1C,0,1,0,0
COc1cc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc(OC)c1OC,0,0,0,0
CC/C(=N/O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1,0,0,0,0
O=C(CSc1cccs1)Nc1ccc2ccccc2c1,0,1,0,0
Cc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1,0,0,0,0
CCOC(=O)c1ccc(NC(=O)CSc2nnc(C)n2-c2ccccc2)cc1,1,0,0,0
CC(C)(C)SC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,0,0,0,0
Cc1c(C)c2ccc(OS(=O)(=O)c3ccccc3)cc2oc1=O,0,0,0,0
CC(=O)N1CC(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)C1,0,0,0,0
O=C(c1ccco1)n1nc(-c2ccccc2)nc1SCc1ccccc1,1,0,0,0
Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCCc3ccccc3)c(=O)c2c1,0,0,0,1
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCF)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,0,0,0,0
Cc1cccc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n1,0,1,0,0
CCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2/C(N)=N/O)cc1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)cc3F)oc2c1,0,0,0,0
O=C(CCCc1ccccc1)NCc1ccc(C(=O)NO)cc1,0,0,0,1
O=C(CCCCCCC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cc1)NO,0,0,0,0
CCc1c(O)nc(SCC(N)=O)n(-c2ccccc2F)c1=O,0,0,0,0
Cc1ccc2c(C)nc(SC(C(=O)c3ccccc3)c3ccccc3)nc2c1,1,0,0,0
CCOc1ccc(C(C)=O)cc1CC1C(=O)NC(=S)NC1=O,0,0,0,0
Cn1nnc2ccccc2c1=O,0,0,0,0
On1cc(C2CCNCC2)c(-c2cccc(-c3ccccc3)c2)n1,0,0,0,0
CC(=O)Nc1ccc(CN2CCN(CC=C(C)C)C(CCO)C2)cc1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1cccc(Br)c1,0,0,0,0
O=C1/C(=C2\Nc3ccc(S(=O)(=O)O)cc3C2=O)Nc2ccc(S(=O)(=O)O)cc21,0,0,0,0
NC(=O)C12CC3CC(C1)C(OC(=O)N1CC[C@H](n4c(=O)[nH]c5cc(Cl)cnc54)C1)C(C3)C2,0,0,0,0
C=CCC1(C(C)CCC)C(=O)NC(=S)NC1=O,0,0,0,0
CCCCC1(CCCC)CS(=O)(=O)c2ccc(N(C)C)cc2[C@@H](c2ccc(OCc3cccc(CN(CC(=O)O)CC(=O)O)n3)cc2)[C@H]1O,0,0,0,0
O=C(CC1=NC2(CCCC2)Cc2ccccc21)N1CCOCC1,1,0,0,0
S=C(NN=Cc1ccccc1Cl)Nc1ccccc1,0,0,0,0
Cc1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1,0,1,0,0
CCOC(=O)N1CCN(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1,0,0,0,0
O/N=C/c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,0,0,0,0
CCOCCCNc1nc2c(S(=O)(=O)c3ccc(CC)cc3)nnn2c2ccc(Cl)cc12,0,0,0,0
Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C1CC1,0,0,0,0
c1ccc(C2c3[nH]c4ccccc4c3CCN2CCCN2CCCC2)cc1,0,0,0,0
CCOc1cc(=O)n(C)cc1-c1cc(N(CC2CC2)S(=O)(=O)Cc2cc(F)ccc2Cl)ccc1Oc1ccc(F)cc1F,0,0,0,0
Cc1cccc(-n2ncc3c(Nc4ccc(Oc5ccc(Cl)cc5)cc4)ncnc32)c1,1,0,0,0
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccccc1,0,0,0,0
Cc1c(Cc2cccc(C(F)(F)F)c2)oc2c(-c3cccc(C(=O)NCCO)c3)cccc12,0,0,0,0
O=c1[nH]c(O)c(Cc2ccc(OCC3CCCC3)cc2)s1,0,0,0,0
CCCc1ncc2c(C)nc3ccc(OC)nc3n12,0,0,0,0
C=CCNC(=S)Nc1sc2c(c1C(N)=O)CCCC2,0,1,0,0
O=C1CCC(C(=O)N2CCC(CO)CC2)CN1Cc1ccc(Cl)cc1,0,0,0,0
CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)C)C2c2ccccc2OCC#N)cc1,0,0,0,0
Cc1ccc(C)c(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)cc3)CC2)c1,0,0,0,0
CCn1c(/N=C/c2ccc(F)cc2)c(C#N)sc1=S,0,0,0,0
CCN1C(=O)CC(N2CCOCC2)C1=O,0,0,0,0
COc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2cccc(F)c2)cc1,0,0,0,0
CCOC(=O)c1cc(=O)n2nc(-c3ccccc3F)nc2s1,0,0,0,0
CCCCCCNC(=O)Oc1cccc(CN(CC)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
C=CCSc1nc(=O)n2cccc(C)c2n1,0,0,0,0
COc1ncc(-c2ccc3nccc(-c4ccc(Cn5cccn5)cc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F,0,0,0,0
Cc1ccc(CNC(=O)c2sc3ccc(S(=O)(=O)N4CCCCC4)cc3c2N)cc1,1,0,0,0
N#CC1(c2ccc(F)cc2)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
O=C(c1nn(-c2cccc(-c3ccncc3)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
CCCCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1COC1,0,0,0,0
CS(=O)(=O)Nc1cccc2c1CCCC2c1cnc[nH]1,0,0,0,0
CCCCCCOC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,0,0,0,0
CCCn1c(-c2ccc(O)cc2Cl)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,0,0,0,0
O=c1c([N+](=O)[O-])cccn1Cc1cccc(Br)c1,0,0,0,0
COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCc3ccc(SC)cc3)c(C)n2n1,1,0,0,0
COc1ccccc1-c1cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc2n1CC(=O)NC(C)(C)C,0,0,0,0
CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)O)N(C(=O)C(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(C2[C@H]3CN(CCOC)C[C@@H]23)n1,0,0,0,0
CCCn1nc2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCCOC)nc2c1CC,0,0,0,0
Cc1cccn2c(CN3CCCC(c4ccccc4)C3)c(C(=O)N3CCOCC3)nc12,1,0,0,0
N#C/C(=C/c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)C(N)=O,0,0,0,0
O=C(O)C1(S(=O)(=O)c2ccccc2)CC1,0,0,1,0
COCc1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)oc2ccccc12,1,0,0,0
O=C(NCc1ccco1)c1ccc2c(c1)N(Cc1ccc(Cl)cc1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
CCc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COC(=O)c1c(NC(C)=O)sc(Cc2ccccc2)c1C,0,0,0,0
CCOP(=O)(OCC)C(Nc1cccc(C)c1)c1ccc(F)cc1,1,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(F)cc2)CC1,0,0,0,0
COCCCNC(=O)c1oc2c(c1C)-c1nn(Cc3cccc(Cl)c3)cc1CC2,0,0,0,0
Cc1cc(N2CC(C)OC(C)C2)nc(C(C)C)n1,0,0,0,0
CC(C)(C)c1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1,1,1,0,0
CCCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,0,0,0,0
CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(OC)cc12,1,0,0,0
O=C(NCc1cccnc1)C1c2ccccc2C(=O)N1C1CCCC1,1,0,0,0
O=C1NC(=O)C(=Cc2cccc(OCCc3ccccc3)c2Cl)S1,0,0,0,0
COc1cccc(C(c2ccncc2)c2cc3c4c(c2)CCN4C(=O)CC3)c1,0,0,0,0
CCOC(=O)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CC(C(C)(C)C)CC4,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F,0,0,0,0
OC(Cc1cccnc1)(Cc1cccnc1)c1cc2ccccc2[nH]1,0,0,0,0
CC(C)c1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1C=O,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2cccnc2)C1,0,0,0,0
OCCn1cc(-c2cc(CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1cccc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1,0,0,0,0
Cc1cc(CNCc2c(C(=O)N3CCCCCCC3)nc3ccc(Cl)cn23)nn1C,0,0,0,0
Cc1ccc(-n2[nH]c(C)c(C=Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c2=O)cc1C,0,1,0,0
COC(=O)Nc1sc2c(c1C(N)=O)CCCCCC2,0,0,0,0
COc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1,0,1,0,0
CSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1,0,0,0,0
O=c1c2ccccc2ncn1-c1ccc(Cl)cc1,0,0,0,0
Cc1ccc(C(=O)N(Nc2nc3ccccc3s2)C(=O)c2ccc(C)cc2)cc1,1,0,0,0
O=C1OC(=O)c2c(Br)c(Br)c(Br)c(Br)c21,0,0,0,0
O=c1[nH]c(O)c2c1c1c3ccccc3nc1c1cccn12,0,0,0,0
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2cccs2)cc1,0,0,0,1
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(C)(C)O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(c1ccncc1)C12CN3CN(CN(C3)C1)C2,0,0,0,0
OC[C@@H](O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1c(NC(=NS(=O)(=O)c2ccc(F)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
Nc1cc(-c2cc(F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)ccn1,0,0,0,0
COc1ccccc1CN1CCN(Cc2ccc(Cl)cc2)CC1,0,0,0,0
Cc1ccc(-c2cc(=O)c3cc(Cl)ccc3[nH]2)cc1,0,1,0,0
CCOCCCNCC(=O)Nc1ccccc1N1CCOCC1.O=C(O)C(=O)O,0,0,0,0
CC(C)C(=O)Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12,1,0,0,0
CCc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
CC1C(=O)N(C)CCN1C(=O)c1cccc(OC2CCN(CC(C)(C)C)CC2)c1,0,0,0,0
CCCC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,0,0,0,0
COC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,0,1,0,0
Cc1c(NS(=O)(=O)c2c(Cl)cc(CCCN3CCN(C)CC3)cc2Cl)c(CC(C)C)nn1C,0,0,0,0
Cc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)s1,0,0,0,0
CC(N=C1NS(=O)(=O)c2ccccc21)c1ccccc1,0,0,0,0
COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)cc1,0,0,0,0
O=[N+]([O-])c1ccc(Cl)cc1Sc1cccc2cccnc12,0,0,0,0
C#CCN(c1cc(Nc2ccc(OCC(O)CN(C)C)cc2)ncn1)c1cc(Cl)ccc1Cl,0,0,0,0
Cc1ccc(NC2C3NCCCC3C(=O)N2Cc2cccs2)cc1C,0,0,0,0
Nc1nc(N)c(-c2ccc(NCc3ccc([N+](=O)[O-])cc3)cc2)c(COCc2ccccc2)n1,0,0,0,0
Cc1ccccc1N1CCN(CC(O)c2ccc(O)c(C3N=NN=N3)c2)CC1,0,0,0,1
Cc1ccc(NC(=O)c2cnc(N3CCCCC3)c3ccccc23)cc1Cl,1,0,0,0
O=C(c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CSC2=O)cc1)N1CCCC1,0,0,0,0
COc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1OC,1,0,0,0
CCCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
C[C@H](Oc1cc(-c2ccc(OC3CCC3)nc2)cc2ncccc12)[C@@H]1CNC(=O)C1,0,0,0,0
COc1ccc(CCNC(=O)c2ccc(CSCc3ccc(C)cc3)o2)cc1OC,1,0,0,0
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1O,0,0,0,0
N#Cc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CC(=O)NC(Cc1ccccc1)c1ccc2c(c1)OCCCO2,0,0,0,0
NCCNc1ccn2ncc(-c3ccc4cn[nH]c4c3)c2n1,0,0,0,0
[O-][S+]1CCN(Cc2ccc(-c3ccc4ncnc(Nc5ccc(OCc6cccc(F)c6)c(Cl)c5)c4c3)o2)CC1,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(C(=O)NCCS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
CCC(=O)N(c1ccccc1)C1CCN(CCC(C#N)(c2ccccc2)c2ccccc2)CC1,0,0,0,0
COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c2ccccn2)cc1,0,0,0,0
CC1CN(CN2C(=O)c3ccccc3C2=O)CC(C)O1,1,0,0,0
CCN1C(=O)C2C(c3ccc(OC)cc3)N3C(=O)CN(Cc4ccccc4)C(=O)C3(C)C2C1=O,0,0,0,0
CCOc1cc(C2C3=C(CC(C)(C)CC3=O)N=C3NN=C(C)C32)ccc1O,0,0,0,0
COC(=O)c1ccc(=O)n(-c2ccc(OC)cc2)c1,0,0,0,0
CCCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,1,0,0,0
O[Si](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1,0,0,0,0
Cc1nc2n(n1)C(=O)C(C(c1ccco1)N1CCN(c3ccccc3F)CC1)S2,1,0,0,0
O=C1CN(C(=O)COC(=O)c2ccccc2Br)c2ccccc2N1,0,0,0,0
COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N2CCc3cc(OC)c(OC)cc3C2)c1,1,1,0,0
Nc1ccn(-c2ccc(Cl)cc2)c(=O)c1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1cccc(F)c1,0,0,0,0
COc1cccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCS4)c1,1,0,0,0
O=C1CC(c2cccc(Cl)c2Cl)c2cc3c(cc2N1)OCCO3,0,0,0,0
O=C1C(c2ccc(F)cc2)COC12CCN(Cc1ccccc1)CC2,0,0,0,0
CCC(C)C1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0,0,0
COc1ccc(F)cc1CCC1CCC(CCNCCCCCN2N=C(c3ccc(OC)c(OC)c3)[C@H]3CC=CC[C@H]3C2=O)O1,0,0,0,1
COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,1,0,0,0
Cc1cccc(COc2nn3c(C4CC4)nnc3c3ccccc23)n1,0,0,0,1
C[C@@H]1[C@H]2c3cc(Nc4ccccc4)ccc3C[C@@H](c3ccc(Nc4ccccc4)cc32)N1C,0,0,0,0
CCN(C(=NP(=O)(N1CCOCC1)N1CCOCC1)N1CCOCC1)c1ccc(OC)cc1,0,0,0,0
OC[C@H]1OC(n2cnc3c(NCc4cccc(I)c4)nc(-n4cc(-c5ccccn5)cn4)nc32)[C@H](O)[C@@H]1O,0,0,0,0
CN1CCN(CCCNC(=O)c2ccc(C=C3Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1,1,0,0,0
CN1C[C@H]2CCN(c3ccc(Oc4ccccc4)cc3)[C@H]2C1,0,0,0,0
O=c1[nH]c(N2CCOCC2)nc(NC2CNC2)c1-c1nc2ccccc2s1,0,0,0,0
OC[C@@H](O)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
CC(C)c1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,0,0,0,0
COc1ccccc1N1CCN(CCn2c(=O)[nH]c3scc(-c4ccccc4)c3c2=O)CC1,0,0,0,1
CN(C)C=Nc1ncc2c3ccccc3n(Cc3ccccc3)c2c1C#N,1,0,0,0
O=C(/C=C\c1ccco1)Nc1nc(-c2ccccc2)cs1,0,1,0,0
COc1ccc(OC)c(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1,0,0,0,0
O=C1C(=O)N(Cc2ccc(OCCF)cc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccc(F)cc3F)cc21,0,0,0,0
COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(N(C)C)nc21,0,0,0,0
O=C(O)c1ccc(-c2ccc(C(=S)NCc3ccc(-c4ccnn4-c4ccc(Cl)c(Cl)c4)cc3)c(Cl)c2)o1,0,0,0,0
CNC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O,0,0,0,0
CC1=CCC(CC(C)Oc2ccc(C=C3SC(=O)NC3=O)cc2)CC1,0,0,0,0
COc1nc2ccccc2c(=O)n1-c1ccc(C)cc1,0,0,0,0
CNC1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1,0,0,0,0
O=C(c1ccco1)N1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2F)CC1,1,0,0,0
Cn1c(=O)cc2c3c(c(N)ccc31)C(=O)c1ccccc1-2,0,0,0,0
COC1COCCC1N[C@@H]1C[C@H]2CN(C(=O)OCc3ccccc3)C[C@@]2(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1,0,0,0,0
O=C(c1cccc(-n2nccn2)c1)N1CCC(F)(F)[C@@H](Oc2ccc3ccccc3n2)C1,0,0,0,0
CN(C)Cc1ccc(CSCCNc2nnccc2[N+](=O)[O-])o1,0,0,0,0
COC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccccc3)cc12,1,0,0,0
CC12CCC(C(=O)N(CC3CO3)C1=O)C2(C)C,0,0,0,0
C=Cc1ccc(CSc2cc(C)nc3nc(C)nn23)cc1,1,0,0,0
Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)C(C)(C)C)[nH]c12,0,0,0,0
O=c1c2ccccc2nc(-c2ccco2)n1-c1ccc(Br)cn1,0,0,0,0
Fc1cccc(N2CC[C@H]3CNC[C@H]32)c1,0,0,0,0
CNc1nc2ccccc2n1-c1nc(NCc2ccccc2)c2cccc(OC)c2n1,0,0,0,0
CCCCS(=O)(=O)N1CCCC(C(=O)Oc2ccc(Cl)cc2)C1,0,0,0,0
CC(=NOC(=O)c1ccc(C)cc1)c1cccs1,0,0,0,0
Cc1cccc(C)c1N1CCN(S(=O)(=O)N2CCOCC2)CC1,0,0,0,0
Cc1c(C(=O)O)cccc1-c1ccc(/C=N/Nc2ccc(Br)cc2)o1,0,1,0,0
CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(OC(=O)CC(C)(O)CC(=O)OC1C(OC1OCC(O)C(O)C1O)C2O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4O,0,0,0,0
CCOc1ccc(C2C(C#N)=C3Sc4ccccc4N3C(=N)C2C#N)cc1,1,0,0,0
O=S(=O)(NCc1ccco1)c1ccc(Cl)nc1,0,0,0,0
CC(=O)c1sc(NC(=O)C=C(C)C)nc1C,0,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3Oc3ccnc(N)n3)cc2F)cn1,0,0,0,0
COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,0,0,0,0
COc1cc(C(=O)OCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccc1OCc1c(C)noc1C,0,0,0,1
CC(O)(c1ccc(N2CCN(S(=O)(=O)c3cccs3)C[C@@H]2CN2CCC(F)(F)CC2)cc1)C(F)(F)F,0,0,0,0
COc1cc2c(cc1OC)C(C)N(C(=O)c1c(C)noc1C)CC2,0,0,0,0
Cc1cccc(N(C)c2nc3ccc(C)cc3n3cnnc23)c1,0,0,0,0
COc1ccccc1CNS(=O)(=O)c1cnc(N)nc1,0,0,0,0
O=C(O)/C=C/C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCCCOc1ccc(/C=C/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1OCC,0,0,0,0
CN(CCc1cnn(C)c1)Cc1nc(CC2CC2)no1,0,0,0,0
Cc1ccc(C=C2C(=O)NC(=S)N(c3ccccc3F)C2=O)s1,0,0,0,0
Nc1cccc(-c2nnc3n2CCCCC3)c1,0,0,0,0
COC(=O)Cc1c(C)nc2nc(-c3ccc(C)cc3)[nH]n2c1=O,0,1,0,0
C=CCSc1nnc2c(n1)OC=Nc1ccc(Br)cc1-2,1,0,0,0
COc1ccc(Cn2c(C(=O)O)c(CNC3CCCCCC3)c3ccc(OC)cc32)cc1,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1CCC(O)CC1,0,0,0,0
C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccc(F)cc4)CC3)n2)C[C@H](C)N1,0,0,0,0
Cc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc4c(c(N)c32)CCCC4)cc1,0,0,0,0
CCOc1ccc2c(c1)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2,0,0,0,0
CC1(CO)CCCC2(C)C1C(OC(=O)c1ccccc1)CC1C(=O)OCC12O,0,0,0,0
CCSc1nc(=S)n(CC)c(C)c1C(C)=O,0,0,0,0
O=C(/C=C/c1cccn(Cc2ccc(Br)cc2)c1=O)NO,0,0,0,1
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3)C2)nc(C2CC2)c1F,0,0,0,0
O=C(O)CCCOc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCN1CCN(C2=NC(=O)/C(=C/c3ccc(C)o3)S2)CC1,0,0,0,0
O=[N+]([O-])c1ccc(Cl)c(/C=N/NC(=S)Nc2ccccc2)c1,1,0,0,0
Cc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
Nc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1ccccc1C(F)(F)F,0,0,0,0
O=c1ccc2ccccc2n1Cc1cccc(F)c1,0,0,0,0
Cc1ccc(C)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C,0,0,0,0
COc1cc(OC)cc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)c1,0,0,0,0
C=CC(=O)Nc1cccc(-c2ncnc3[nH]ccc23)c1,0,0,1,0
O=C(Cc1cccc2ccccc12)Nc1ccc2oc(-c3ccccc3)nc2c1,1,0,0,0
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C,0,0,0,0
O=C(O)c1ccc(OCCc2c(CCNS(=O)(=O)C[S+]([O-])c3ccc(Cl)c(Cl)c3)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1,0,0,0,0
N#Cc1c(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)sc2c1CCCC2,1,0,0,0
CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OC)c(OS(=O)(=O)O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12,0,0,0,0
c1ccc(CCN2CCC3(CC2)Oc2ccccc2C2CC(c4ccncc4)=NN23)cc1,0,0,0,0
Cc1ccccc1-c1ccccc1COc1ccc(CCC(=O)O)cc1,0,0,0,0
COc1ccc(-c2[nH]ncc2/C=N\NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC,0,1,0,0
CCn1c(SCc2ccc(F)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F,0,0,0,0
Cc1ccc(-c2n[nH]c(=S)n2C)cc1,0,0,0,0
N#CCC(=O)c1sccc1-n1cccc1,0,0,0,1
Cc1nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)c2[nH]cnc2n1,0,0,0,0
Cc1cc(C)c(CN2CCc3ccc(OC(C)C)c(C)c3C2=O)c(=O)[nH]1,0,0,0,0
CCC(=NCc1cccnc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0,0,0
COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C(=O)NNC(=O)N(C)C,0,0,0,0
O=C(O)C(Cc1ccccc1)Nc1ccc([N+](=O)[O-])cn1,0,0,0,0
O=C1CC2(CCCC2)C(O)C(=O)N1CCCCN1CCN(c2ncccn2)CC1,0,0,0,0
Cc1csc(=Nc2cccnc2)n1Cc1ccco1,0,0,0,0
CCC(C)Oc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCC(C)CC2)cc1,0,0,0,0
Cc1ccc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1,0,1,0,0
CCn1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(C)c2c1=O,0,0,0,0
COc1cccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c1OC,0,1,0,0
COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CC3)c2=O)cc1NS(=O)(=O)c1ccc(F)cc1F,0,0,0,0
Cc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1,0,0,1,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4F)cc32)cc1C,0,0,0,0
Fc1ccc(-c2cncc(CN3CCN(c4cnccn4)CC3)c2)cc1,0,0,0,0
Cc1ccc(O)c(N=Cc2sc3ccccc3c2Cl)c1,0,1,0,0
CCOC1=CC2=C(C(=O)C(Cl)=CC2=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)[C@H]12,0,0,0,0
N#Cc1ccc(-c2cncc3c2CCCC3N)cc1,0,0,0,0
CCOc1ccccc1CNCc1cccn1-c1nnc(N2CCN(c3ccccc3)CC2)s1,0,0,0,0
CCN(CC)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,1,0,0,0
COC(=O)c1csc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1,0,0,0,0
COC(=O)c1cc(Cl)nc(Oc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CCC3)c1,0,0,0,0
CCCCC1(CC)C(=O)NC(=O)NC1=Nc1ccc(OC)cc1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2NC=O)c1C,0,0,0,0
Cc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCc4c(F)cccc4Cl)cc3)n2)cc1,1,0,0,0
COc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)cc1,0,0,0,0
NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCCC(F)(F)F)CC2,0,0,0,0
CCN1CC2CCCC3(C1)C(=O)NC1(CCCCC1)N=C23,0,0,0,0
O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)NCCN1CCOCC1,1,0,0,0
CCCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)o3)ccc12,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3C)CC2)n[nH]1,0,0,0,0
CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
OCCN1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1,0,0,0,0
CN(C(=O)COc1ccc(Cl)cc1Br)C1CCCCC1,1,0,0,0
Cc1cc2cc(CNC(=O)c3ccc(Br)o3)ccc2n1C,0,0,0,1
CC(=O)NCCNc1nc2c(S(=O)(=O)c3ccc(C)c(C)c3)nnn2c2ccc(Cl)cc12,1,0,0,0
COc1ccccc1-c1cc(-c2ccccc2)nc(=O)[nH]1,0,0,0,0
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccs2)cc1,0,0,0,0
CCN(Cc1cc(Nc2nc(C)cn3c(-c4cn[nH]c4)cnc23)sn1)C(C)(C)CO,0,0,0,1
Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C(N)=O,0,0,0,0
CCOc1ccc(N(C(=O)c2ccccc2Cl)C2=NC(C)(C)CS2)cc1,0,0,0,0
CC1=C(C(=O)Nc2ccccc2)C(c2ccccc2Cl)n2ncc(C(=O)Nc3cccc(C)c3)c2N1,1,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc3c(c2)C(C)=CC(C)(C)N3)cc1,0,0,0,0
Cc1cc2ccccc2cc1CN1CCOCC1,0,0,0,0
COc1ccc(C2(CNC(=O)c3ccc(OC)c([N+](=O)[O-])c3)CCCCC2)cc1OC,1,0,0,0
CC(C)C(O)(c1ccc2cc(-c3cnco3)ccc2c1)c1cn[nH]n1,0,0,0,0
CCOc1ccc(-n2ccnc2SCC(=O)Nc2nc3ccc(C)cc3s2)cc1,1,0,0,0
CC(C)(C)c1ccc(-n2ncc3c2CCCC3NC(=O)CN2CCOC2=O)cc1,1,0,0,0
Cn1c(-c2ccccc2)c(C=O)c2ccccc21,0,0,0,0
COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CCCNC5)c4n3)cnc2c1,0,0,0,0
COc1cc(Nc2nccc(Nc3ccc4ccccc4c3)n2)cc(OC)c1OC,0,0,0,0
N#CC1C(=N)Oc2cc3ccccc3cc2C1c1cccs1,1,0,0,0
N#Cc1cc(-c2cccs2)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21,0,0,0,0
COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4nccs4)cc3)C2c2ccccc2OC)cc1,0,0,0,0
CC(C)N(C1=NC(=Cc2ccco2)C(=O)N1c1ccccc1)C(C)C,0,0,0,0
Cc1c(C)n(CCCN(C)C)c2ncnc(Nc3ccccc3)c12,0,0,0,0
c1ccc2c(c1)SCc1nnc(-c3ccncc3)n1-2,0,0,0,0
COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCc1nn2cc(-c3nc4cc(C(C)(C)C)ccc4o3)nc2s1,0,0,0,0
FC(F)(F)c1ccc2nc(C3C4Oc5ccc(Oc6ccnc7[nH]ccc67)cc5C43)[nH]c2c1,0,0,0,0
CNC(=O)c1ccc(Nc2ncc(C(F)(F)F)c(NCc3nccnc3N(C)S(C)(=O)=O)n2)cc1,0,0,0,0
CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1,1,0,0,0
O=C(N/N=C/c1ccc(O)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1,1,0,0,0
CN(C)S(=O)(=O)c1cccc(C(=O)NCC(C)(C)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1,1,0,0,0
COc1ccccc1/C(C)=N/NC(=S)NCc1ccccc1,0,0,0,0
Cc1cc(C)cc(-n2c(O)c(C=Nc3ccc(N4CCOCC4)cc3)c(=O)[nH]c2=S)c1,0,0,0,0
CC(C)NC(=O)N1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1,0,0,0,0
CCCCC(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1,0,0,0,0
CCCc1[nH]nc2c1C(c1ccc(N(C)C)cc1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
COc1ccc(-c2nc3cnc(N4CCNCC4)nc3n(CCc3ccccc3)c2=O)cc1,1,0,0,0
O=C1COc2ccccc2CN1,0,0,0,0
Cn1cc2c(nc(N(C(=O)c3ccccc3)C(=O)c3ccccc3)n3nc(-c4ccc(Cl)cc4)nc23)n1,0,0,0,0
O=C(O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12,0,0,0,0
C=CCC1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)CC1,0,0,0,0
NC(=O)NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
CCOc1ccc(CCNC(=O)COC(=O)COc2ccccc2C)cc1OCC,1,0,0,0
Cc1c(-c2csc(-c3ccc(Cl)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,0,0,0,0
COc1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1,0,0,0,0
CC(=O)c1c(COC(=O)c2ccc(F)cc2)nc2ccccc2[n+]1O,0,0,0,0
CNc1ccc2cncnc2c1,0,0,0,0
CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Oc1ccn(-c3ccc(S(C)(=O)=O)cc3)c(=O)c1)C2,0,0,0,0
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)cc1,0,0,0,0
Cc1ccc(C)c(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2)c1,0,0,0,0
COc1cc(OC)c(Nc2c3c(nc4nc(-c5cccs5)nn24)CCCC3)cc1Cl,1,1,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cn5)cc4=O)cc31)CCCNC2,0,0,0,0
O=C(CCCc1ccccc1)Nc1cccc(C(=O)O)c1,0,1,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)F)C(C)(C)CO)ns2)n1,0,0,0,0
O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,0,0,0,0
O=C(CCCCCCOc1ccc2ccccc2c1)c1ncco1,0,0,0,1
CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1,0,0,0,0
COc1ccc(N)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1,0,0,0,0
OCCn1ccc(-c2ccccc2OCc2ccc(F)cc2)n1,0,0,0,0
CC(C)CN1C(=O)C(=O)N(CC(=O)N(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)C1=O,1,0,0,0
O=C(CNC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc2c(c1)OCCO2,0,1,0,0
O=S(=O)(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(F)cc1F,0,0,0,0
CCn1c(CNc2ccccc2)nnc1SCc1nc2ccc(Cl)cc2o1,0,0,0,0
O=S(=O)(NCCCCN1CCc2sccc2C1)c1ccc2cccnc2c1,0,0,0,0
CCN(CC)CCCNc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccccc2Cl)n1,0,0,0,0
c1ccc(-c2nc(-c3ccccc3)n(CC3CO3)c2-c2ccccc2)cc1,0,0,0,0
O=C(O)C1CC(=O)N(Cc2cccnc2)C1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc([S+](C)[O-])cc1,0,0,0,0
CC(=NCc1cccnc1)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0,0,0
CCOC(=O)CC1=CSC2=NS(=O)(=O)CCN12,0,0,0,0
O=C1OC[C@@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1,0,0,0,0
COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3cc(OC)c(OC)cc3C(=O)N12,0,0,0,0
COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)C12CC3CC(CC(O)(C3)C1)C2,0,0,0,0
O=C(c1ccccn1)N1CCN(C(=O)c2ccccn2)CC1,0,0,0,0
NC(N)=Nc1ccc(CC(NS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,0,0,0,0
COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccnc3)n2)cc1OC,1,0,0,0
O=Cc1c(O)ccc2nc(-c3cccc(C(=O)N4CCOCC4)c3)ccc12,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2cc(F)cc(Cl)c2)CC1,0,0,0,0
CCCCP(=O)(c1ccccn1)c1ccccn1,0,0,0,0
COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)(C)C)nc3[nH]cc(C#N)c23)cc1OC,0,0,0,0
COCCNC(=O)Nc1cc2[nH]nc(-c3cc(C)nc(OC)c3)c2cn1,0,0,0,0
Cc1nc2ccc(-n3ccc(=O)cc3)cc2s1,0,0,0,0
Cc1nc(C(=NO)C(N)=O)cs1,0,0,0,0
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2ccc3ccccc3c2)CC1,0,0,0,0
CC(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)O,0,0,0,0
CC(=O)NC1CONC1=O,0,0,0,0
C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)c1,0,0,1,0
Cc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1,0,0,0,0
O=C(O)Cc1cc(Cl)c(Oc2ccc(O)c(-c3cccnc3)c2)c(Cl)c1,0,0,0,0
Cc1cccc(-c2nc(CSCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)o2)c1,1,0,0,0
O=S(=O)(N1CCCCC1)N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
COc1ccccc1C1=C(c2ccccc2)C(=O)N/C1=C\c1ccc(C)o1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C(=O)O)c2)c1,0,0,0,0
Oc1ccc2oc(=S)ccc2c1,0,0,0,0
N#Cc1ccc(N2CCC(O)C2)cc1Cl,0,0,0,0
CN(c1ccccc1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,0,0,0,0
COc1ccc(Cn2nnnc2C(CC(C)C)N2CCC(C(N)=O)CC2)cc1,0,0,0,0
C[C@H]1CCCN1C1CCC(c2ccc(N3CCC4(CCNCC4)C3=O)c(F)c2)CC1,0,0,0,0
O=C(O)Cn1c(-c2ccccc2)cc2ccccc21,0,0,0,0
Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,0,0,0,0
COc1ccc(CCN2C(=O)CC(C(C)c3ccccc3)C2=O)cc1OC,1,0,0,0
O=C(c1c(F)cccc1F)N1CCN(c2ncc(Br)cn2)CC1,0,0,0,0
CC(=O)Oc1ccccc1C(=O)Nc1ncc([N+](=O)[O-])s1,0,0,0,0
O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1cc(Cl)ccc1Oc1ccccc1,1,0,0,0
COc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)cc1OC,1,0,0,0
Cc1ccc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(F)cn3)nn(C)c2=O)c(C)n1,0,0,0,0
O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc2c(c1)OCCO2,0,1,0,0
COc1ccc(CCN2C(=O)NC(=O)/C(=C\NCCCn3ccnc3)C2=O)cc1OC,0,0,0,0
CCOc1ccc(NC2=NC(C(=O)NCc3ccccc3)CC(=O)N2)cc1,0,0,0,0
COc1cc(S(=O)(=O)c2ccc(F)c(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
Cc1ccccc1CSc1n[nH]c(NS(=O)(=O)c2ccccc2)n1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1c(F)cccc1F,0,0,0,0
CC1(C)CCC2=C(O1)c1ccccc1C(=O)C2=O,0,0,1,0
CN(C)c1nc(-c2cccs2)cc(C(F)(F)F)c1C#N,0,0,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)cc1Cn1cc([N+](=O)[O-])cn1,1,0,0,0
COc1ccccc1N1CCN(C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1,0,0,0,0
Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(O)ccc4n1c23,0,0,0,0
COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2ccc3c(c2)OCO3)cc1,0,0,0,0
c1ccc(CN2CCC(n3ncc4c(N5CCOCC5)nc(-c5ccc6ncccc6c5)nc43)CC2)cc1,0,0,0,0
CCCC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
C[C@@H](c1ccccc1)N(Cc1nc2c(c(=O)[nH]1)COCC2)C(=O)CN1CCC(C(=O)c2ccc(F)cc2)CC1,0,0,0,0
Clc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1,0,1,0,0
N#Cc1cc(-c2ccnc(Nc3ccc(N)nc3)n2)cnc1N1CC[C@H](F)C1,0,0,0,0
COc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
CC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C,0,1,0,0
OCCn1cc(-c2cc(Cl)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(C)c(O)c3c(c1O2)C(O)OC3=O,0,0,0,1
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(CO)[nH]c1Cl,0,0,0,0
CC(=Nc1ccc(C)cc1C)c1sc2ccccc2c1O,0,1,0,0
COC(=O)c1cc(-c2n[nH]c3cnc4cc(OC)c(OC)cc4c23)ccc1C#N,0,0,0,0
COC(=O)Cc1c(O)ccn(Cc2cccc(C(F)(F)F)c2)c1=O,0,0,0,0
COC(=O)c1cc(NCc2ccccc2F)ccc1N1CCOCC1,1,0,0,0
O=C(CCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1nccs1,1,0,0,0
O=c1[nH]c(CC2CCCO2)nc2c1cnn2C1CCCC1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)cc3)c2=O)cc1,0,0,0,0
Cc1ccccc1NC(=S)NCCC(c1ccccc1)c1ccccc1,0,0,0,0
Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,1,0,0,0
COc1cc2nc(C3CCC3)n(N)c(=O)c2cc1OC,0,0,0,0
CCCCC1CCC(c2ccc(C(N)=O)cc2)CC1,1,0,0,0
COCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OC)cc1,0,0,0,0
Cc1cc(C)cc(-c2[nH]c3ccc(C(=O)N4C5CCC4CC5)cc3c2CCNCCCCc2ccncc2)c1,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(C)C)C(N)=O,0,0,1,0
Cc1ccc2c(c1)oc(=O)n2CCOc1ccnc2cc(OCCN3CCOCC3)ccc12,0,0,0,0
CCOC(OCC)c1cn(Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)nn1,1,0,0,0
C=CC(=O)N1CCN(c2nnc(-c3ccccc3C(C)C)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1,0,0,1,0
COc1cccc(C(Nc2ccccn2)c2oc(CO)cc(=O)c2O)c1,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CC(C(=O)Nc1cc(C2CC2)[nH]n1)c1ccc(N2CC(=O)NC2=O)cc1,0,0,0,0
COc1ncc2nc(C)c(=O)n(C3CC3)c2n1,1,0,0,0
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCCCC4)c3)nn2CCCN2CCCCC2)C1,0,0,0,0
COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccccc4F)CC3)[nH]n2)cc1,0,0,0,0
Cc1cccc(C[C@H](NC(=O)c2cc(F)cc(F)c2)C(=O)N[C@H](/C=C(\F)S(=O)(=O)Oc2ccccc2)CCc2ccccc2)c1,0,0,1,0
COCCNC(=O)C1N2C(=O)c3c(ccc(OC)c3OC)C2SC1(C)C,0,0,0,0
COc1cc(-c2nnc3sc(-c4cccs4)nn23)cc(OC)c1OC,0,0,0,0
C(#CCN1CCOCC1)COCCOC(c1ccccc1)c1ccccc1,1,0,0,0
CCOCCCNCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C,0,0,0,0
CC(C)(C)C(=O)Cn1ncc(N2CCOCC2)c(Cl)c1=O,0,0,0,0
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,0,0,0,0
CCOC(=O)c1c(NC(=O)C(C#N)=Cc2cccnc2)sc2c1CCCC2,0,0,1,0
Nc1nc(NCC(=O)NO)c2[nH]cnc2n1,0,0,0,0
CN(C)C(=O)c1cc(CN2CCOc3c(F)cccc32)c2oc(N3CCOCC3)cc(=O)c2c1,0,0,0,1
Cc1ccc(-c2noc(CSc3nc(N)cc(N)n3)n2)cc1,0,1,0,0
O=C[C@H](CC(=O)O)NS(=O)(=O)c1ccccc1OCCc1cccc2ccccc12,0,0,0,0
Cc1cccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)c1,0,0,0,0
COc1ccc(N=Nc2c(-c3ccncc3)[nH][nH]c2=O)cc1,0,0,0,0
CCn1c(CCNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc(Cl)cc1Cl,1,0,0,0
CCC(=O)Nc1nnc(-c2ccncc2)s1,0,0,0,0
CCCCN1C(=O)C(C)(C)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1,0,0,0,0
O=C(O)c1nccc(-c2ccc(N3CCCC3)c(Cl)c2)n1,0,0,0,0
N#Cc1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)COC3=O)cc2n1,0,0,0,0
CCN(CC)c1ccc(-c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2-c2ccc(N)cc2)cc1,0,0,0,0
COc1ccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccccc23)cc1,0,0,0,0
CCc1cc(C(=O)N2CCCC(Nc3ccc(F)c(F)c3)C2)n(C)n1,0,0,0,0
OCC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](CCO)ccc21,0,0,0,0
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(CCc1cccc(S(=O)(=O)c3ccccc3)c1)CC2,0,0,0,0
Cc1ccc(NC(=O)[C@@H](C)n2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1,0,0,1,0
CN(C)c1ccc(C2CC(c3ccccc3)=Nc3nc(-c4ccccc4)cn32)cc1,1,1,0,0
Nc1nc2c(cnn2CCc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,0,0,0,0
N/C(=N\OC(=O)Cc1cccs1)c1ccccc1,0,1,0,0
CC=C(C)C(=O)OC1CC2(COC(C)=O)OC2C=CC2(C)OC2C2OC(=O)C(COC(C)=O)=C12,0,0,1,0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CN(CC(=O)O)Cc2ccccn2)cc1,0,0,0,0
Cc1cc(C(=O)NCCCn2ccnc2)sc1-c1ccccc1,1,0,0,0
Clc1cc2c(cc1Cl)Oc1cc(Br)c(Br)cc1O2,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1nc(-c2ccc(OC)cc2)oc1C,0,0,0,0
S=C(Nc1ccccc1Oc1ccccc1)NC1CCCC1,0,0,0,0
C=CCNC(=S)N/N=C/c1ccc(N(CC)Cc2ccccc2)cc1,0,0,0,0
CCN(CC)c1ccc(N/C=C2/C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1,0,0,0,0
CCCCOc1ccc(S(=O)(=O)N2C[C@@H](NS(=O)(=O)c3cn(C)cn3)C[C@@H]2C(=O)NO)cc1,0,0,0,0
Nc1nc(-c2cccs2)c2cnn(Cc3ccccc3F)c2n1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4C(F)(F)F)cn3)[C@H]12,0,0,0,0
CCCC(=O)N1c2ncnn2C2(CCCCC2)C2CCCCC21,0,0,0,0
CC(NC(=O)CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc(S(N)(=O)=O)cc1,0,0,0,1
COc1cc(N2CC(F)(F)C2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,0,0,0,0
Cn1cc(-c2cc(S(C)(=O)=O)ccc2OCC2CCCCC2)c2cc[nH]c2c1=O,0,0,0,0
Cc1ccc2nc(C3CCN(S(=O)(=O)c4ccc5ccccc5c4)CC3)[nH]c2c1,1,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NC(C)C(F)F)c12,0,0,0,0
CC(C)NC(=O)N1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CCOC2Cn2ccc(-c3ccc(F)cc3)n2)n1,0,0,0,0
CCCCOc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1,0,0,0,0
COc1cccc(CSc2nnc(-c3ccco3)n2C)c1,0,0,0,0
COc1ccc(-n2c(=O)c3c4c(sc3n3cnnc23)CC(C)CC4)cc1,0,0,0,0
CC(C)CC(C(=O)NC1CC1)N1C(=O)N2CCc3c([nH]c4ccccc34)C2(C)C1=O,1,0,0,0
Cc1oc2c(C)c3oc(=O)c4c(c3cc2c1C)CCCC4,0,0,0,0
Clc1cc(Nc2ncnc3[nH]nc(OCCCN4CCOCC4)c23)ccc1OCc1ccccn1,0,0,0,0
COc1cc(CNc2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1,0,1,0,0
COc1ccc(N2C(=O)CC(n3cnc4ccccc43)C2=O)cc1,0,0,0,0
COc1cccc([C@H]2O[C@H](CC(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC,0,0,0,0
Cc1ccccc1Cn1nnc2c1C(=O)c1ccccc1C2=O,0,0,0,0
CC(=O)N1CCOc2cc(COc3ccccc3)cnc21,0,0,0,0
COc1ccc(N2C(=O)SC3CS(=O)(=O)CC32)cc1,0,0,0,0
O=c1[nH][nH]c(C(F)(F)F)c1C=NCc1ccccc1Cl,0,0,0,0
O=C(Nc1ccc(CN2CCS(=O)(=O)CC2)cc1)c1ccc(C(F)(F)F)cc1,0,1,0,0
N=C(Cc1ccc([N+](=O)[O-])cc1)NOC(=O)c1ccc2ccccc2c1,1,0,0,0
CC1CCC(C)N1Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
CCOCC1CN(C(=S)SSC(=S)N2CCCOC(COCC)C2)CCCO1,0,0,1,0
N/C(=N\OC(=O)Cc1cccs1)c1ccc(Br)cc1,0,1,0,0
CCn1c(NC2CCCC2)nc2c(-c3cccnc3)csc2c1=O,0,0,0,0
CCc1c(C(=O)N/N=C/c2cn[nH]c2-c2ccc(F)cc2)csc1C,1,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(OC(F)F)c3)c(F)c2)CC1,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCC(C)CC1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Sc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O,0,0,0,0
CNc1ccccc1C(=O)OCC(=O)c1ccc(F)cc1,0,1,0,0
O=C1C2Sc3[nH]c(=O)sc3C(c3cc([N+](=O)[O-])ccc3O)C2C(=O)N1c1ccccc1,0,0,0,0
Cc1ccccc1C(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3c(c2)OCCO3)n1,1,0,0,0
CC1(C)CC(=O)c2c(noc2-c2ccccc2)C1,0,0,0,0
Cc1ccc(C(C)C)cc1OCCOCCN1CCCC1,0,0,0,0
COc1ccc(C[C@@H]2CCCN2C(=O)c2ccccc2-c2ncccn2)cc1OC,0,0,0,0
O=C(Nc1nc2ccsc2c(=O)s1)c1ccc(F)cc1Cl,0,1,0,0
CSc1ncnc2nc[nH]c12,0,0,1,0
CC(C)c1cc(-c2nn(COC(=O)C(N)C(C)C)c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl,0,0,0,0
c1ccc2c(c1)NCC(C1=NCCN1)O2,0,0,0,0
CCCCn1c(/C=N/Nc2nc3ccccc3[nH]2)nc2ccccc21,1,0,0,0
COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(C)cc4)c3C)no2)cc1OC,1,0,0,0
Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc([C@@H](C)NC(=O)N(C)O)c(C)c2)no1,0,0,0,0
COc1ccc(S(=O)(=O)N(Cc2ccc(N3CCN(C(C)=O)CC3)cc2F)C2CCC2)c(OC)c1,0,0,0,0
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C=NN2[C@@H]3C(=O)c2ccc(Cl)cc2)cc1,1,0,0,0
CCOC(=O)C1=C(COC(=O)COc2ccc(C(=O)CC)cc2)NC(=O)NC1C,0,0,0,0
N#Cc1cncnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
C=CCN(CC=C)C(=O)C(=O)c1ccn(-c2c(C)csc2C(=O)OC)c1,0,0,0,0
CC(c1ccccc1)N(c1ccc2[nH]ccc2c1)C1CCNCC1,0,0,0,0
CN(C)CC(O)COc1ccc(Nc2cc(N(CCC#N)c3cc(Cl)ccc3Cl)ncn2)cc1,0,0,0,0
CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3F)C2)nc(OC)c1F,0,0,0,0
CCOC(=O)C/N=C/C(C(=O)Nc1nccs1)=C(/C)O,0,0,0,0
Cc1cc2c(Nc3ccc4nc(N)sc4c3)c(C#N)cnc2cc1OCCCN1CCOCC1,0,0,0,0
CNC(=O)c1cccc(S(=O)(=O)c2ccccc2Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)c1,0,0,0,0
CCC(CO)Oc1cc(NCc2ccc(C)c(C)c2)c2ncn(C(C)C)c2c1,0,0,0,0
O=c1c2ccccc2[nH]c(=S)n1CCCN1CCC(Cc2ccccc2)CC1,0,0,0,0
O=C1NC(=O)/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)N1,0,0,0,0
COc1ccc(-c2cc(=O)c3cc(C)ccc3[nH]2)cc1,0,1,0,0
C#Cc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,0,0,0,0
O=S(=O)(Nc1ccccn1)c1ccc(N=Nc2cc(Br)c(O)c(Br)c2)cc1,0,0,0,0
Cc1nn2c(NCc3ccccn3)cc(C(C)C)nc2c1-c1ccccc1,0,0,0,0
c1ccc(CN2CCC(Cc3cnc[nH]3)CC2)cc1,0,0,0,0
C=CCSc1nnc(-c2nnc(SCC=C)n2CC)n1CC,0,0,0,0
CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)c(C)c1,0,0,0,0
COc1ccc(NCc2ccccc2[N+](=O)[O-])cc1OC,0,0,0,0
Oc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1,1,0,0,0
Cc1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1C,0,1,0,0
Cc1ccc(Cl)cc1NC(=O)C1CC(=O)N(C(C)C)C1,0,0,0,0
CN1CC=C(c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)CC1,0,0,0,0
C[C@@H](CO)NC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CN1C(N)=N[C@](C)(c2sc(-c3cccc(-c4ccno4)c3)cc2Cl)CS1(=O)=O,0,0,0,0
O=C(Cc1cccs1)NCc1ccccc1Br,0,1,0,0
O=C(O)COc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,0,0,0,0
C[C@H]1CCCN1CCc1ccc(-c2ccc(CCC(=O)NC(C)(C)C(=O)OC(C)(C)C)cc2)cc1,0,0,0,0
OCCN1CCN(Cc2ccc3ccccc3c2)CC1,0,0,0,0
Cc1cc(C2=NNC(=NC3CC3)SC2)c(C)n1Cc1ccco1,0,1,0,0
COc1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)cc1,0,0,0,0
c1cncc(CSc2ncnc3nc[nH]c23)c1,0,0,0,0
CN(CCOC(=O)c1ccco1)Cc1ccccc1,0,0,0,0
O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)C1CCCCC1,0,0,0,0
c1ccc2c(c1)Cc1cc3cc4c(cc3nc1-2)OCO4,1,0,0,0
CCOc1n[nH]c(-c2cc(C(=O)N3CCC(F)(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)n1,0,0,0,0
COc1ccc(NC(=O)CCCS(=O)(=O)c2nc(-c3ccc(OC)c(OC)c3)cc(C(F)(F)F)n2)cc1OC,1,0,0,0
COc1ccc(Br)cc1S(=O)(=O)N1CCN=C1C,0,0,0,0
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CC(C)C)CC1,0,0,0,0
CCOC(=O)c1c(C)nc2c(c1C)c(=O)oc1ccccc12,0,1,0,0
OC1(c2ccc(-n3ccnc3-c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCNCC1,0,0,0,0
CC(=O)Oc1ccc(C(=O)Nc2nccs2)cc1,0,1,0,0
COc1cccc(NC(=S)NC(=O)/C=C/c2ccco2)c1,0,1,0,0
COc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCCN4CCCCC4)ccc23)cc1,1,0,0,0
CN1C(N)=N[C@](C)(c2sc(-c3cccc(-c4ccno4)c3)cc2F)CS1(=O)=O,0,0,0,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1F,0,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)n(C)c4ccccc43)CC2)ccc1C,0,0,0,0
Cc1ccc(C)c(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1,0,0,0,0
NC(=O)C[C@@H]1NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O,0,0,0,0
Cc1cccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)c1,0,0,0,0
COc1ccc(N2C(=O)C(Cc3cccc(OCCc4nc(-c5ccccc5)oc4C)c3)C2C(=O)O)cc1,0,0,0,0
COc1ccc(C(=O)N2CCC3(CC2)CN(c2ncccn2)C3)cc1,0,0,0,0
COc1ccc(N2C/C(=C/c3ccc(O)c(Br)c3)OC2=O)cc1,0,0,0,0
CC(=O)Nc1sc2c(c1C#N)CCC(C)C2,0,0,0,0
CCOc1cc(Br)cnc1Nc1cccc(C)n1,0,0,0,0
COc1ccccc1CNC(=O)c1cn(C)c(=O)c2cc(OC)c(OC)cc12,1,0,0,0
CCNC(=O)CSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1,0,0,0,0
Cc1ccc(-n2nc(C3=CC(=O)N(C)CC3)cc2NC(=O)c2cnn3cccnc23)cc1,0,0,0,0
Cc1ccc(Nc2nc3ccccc3nc2Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0,0,0
CN1CCN(CCCNC(=O)c2ccc(C=C3Sc4ccccc4N(Cc4ccc(F)cc4)C3=O)cc2)CC1,1,0,0,0
Cc1c(N/C=C2/C(=O)N(Cc3ccco3)C(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C,1,0,0,0
CCCCN(C)C(=O)c1nc2ccccn2c1CN1CCN(c2ncccn2)CC1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCOCC1F,0,0,0,0
CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0,0,0
COCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1,0,0,0,0
CC(Nc1ccccc1)c1ccncc1,0,0,0,0
COC(=O)C1=C(C(=O)OC)C2Nc3ccccc3C23CC(C(=O)OC)N(C(C)=O)C3=N1,1,0,0,0
CCC1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1,1,1,0,0
COc1cc(C)c2nc3n[nH]c(C)c3c(OC3CCOCC3)c2c1,0,0,0,0
O=C(O)CCCCCCCN1C(=O)C=CC1=O,0,0,0,0
COc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,0,1,0,0
CC(C)(C)N1CC(C(=O)Nc2cccc(Cl)c2Cl)CC1=O,0,0,0,0
Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2ccc(Cl)cc2Cl)n1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12,0,0,1,0
NC(=O)c1cnc2cc(-c3ccc(S(N)(=O)=O)cc3)ccc2c1Nc1ccccc1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCC2c1ccc(C(F)(F)F)cc1C1=CCNCC1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(=O)[nH]n3)CC2)cc1OC,0,0,0,0
COc1ccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC(C)(C)C)C3)cc1,0,0,0,0
Cc1cccc(N=C2SC3(CCCC3)NC(=O)C2C#N)c1,0,0,0,0
O=C1SC(SC(=Nc2ccccc2)Nc2ccccc2)C(=O)N1c1ccccc1,1,0,0,0
CCCc1n[nH]c(=O)c2c1nnn2Cc1ccccc1,0,0,0,0
COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1,0,0,0,0
CC1(C)NC(=O)N(CCOc2ccc3c(c2)CCC3)C1=O,0,0,0,0
CCC(=O)Nc1nc(-c2ccc3nccnc3c2)c(-c2ccc(F)c(C)n2)[nH]1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(Cc2ccc(F)cn2)CC1,0,0,0,0
COc1cc(-c2nc(C)nc3[nH]c(C)c(C#N)c23)c(Cl)cc1Cl,0,0,0,0
CC(=O)SCC(=O)c1ccc(NS(=O)(=O)c2ccc(OCCCc3ccccn3)cc2)nc1,0,0,0,1
CC(C)C(CC(=O)NC1CCCCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)CC(Cc1c[nH]c2ccccc12)NC(=O)C1CCCCC1N,1,0,0,0
O=c1cc(-c2ccc(F)cc2F)[nH]c2ccc(F)cc12,0,0,0,0
CCc1ccc2c(c1)N=C(c1cccs1)NC(c1ccc(F)cc1)=N2,1,0,0,0
CN1CCC[C@@H]1Cc1c[nH]c2ccc(C3=CCN(C(=S)NC45CC6CC(CC(C6)C4)C5)CC3)cc12,0,0,0,0
Nc1noc2ccc(-n3nc(C(F)(F)F)c4c3C(=O)N(c3ccc(-c5ccccc5CN5CCOCC5)cc3)CC4)cc12,0,0,0,0
CCC(=O)Nc1cccc(C2=NOC3(C2)CC(C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1,1,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC)cc4F)cc32)cc1C,0,0,0,0
CCCCNC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
CCN1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)CC1,0,0,0,0
CC(C)Cn1c(O)c(C=C2C=NN=C2c2ccccc2)sc1=S,0,0,0,0
CC(C)(C)OC(=O)n1c(-c2ccc(CCC(=O)O)cc2)cc2ccccc21,0,0,0,0
CCOC(=O)c1cc2ccc(OCc3ccccc3)cc2oc1=O,0,0,0,0
O=C1N[C@@](c2ccc(OCCCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc(OC(F)F)cc2)=C1C(=O)NS(=O)(=O)C1CC1,0,0,0,0
C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCC(C)C3,0,0,0,0
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(Cl)cc2)o1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl,0,0,0,0
COc1cc(/C=C/C(=O)NO)ccc1OC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OC(C)(C)C,0,0,0,1
CN1CCC2(CC1)OC(c1ccccc1)=CC2=O,0,0,0,0
COc1cc(Cl)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl,0,0,0,0
COC(=O)/N=C/c1c(NCc2ccccc2)nc2c(C)cccn2c1=O,0,0,0,0
Cc1ccc(S(=O)(=O)N2C(c3ccc4c(c3)OCO4)CC=C(C(=O)O)C2c2ccc(F)cc2)cc1,0,0,0,0
S=c1[nH]nc(C2CCCCC2)n1N=Cc1ccccn1,0,0,0,0
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccccc2)CN1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
O=[N+]([O-])c1ccc(SC(=S)N2CCSCC2)c([N+](=O)[O-])c1,0,0,1,0
CC(NC(=O)CNC(=O)OCc1ccccc1)C(=O)N1CC(O)CC1C(=O)OCc1ccccc1,1,0,0,0
O=S(=O)(c1ccc(F)cc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,1,0,0,0
CN(C)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12,0,0,0,0
N#C[C@@H]1C[C@@H](NC2CCC2)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1,0,0,0,0
O=C(c1c(NC(=O)C23CC4CC(CC2C4)C3)sc2c1CCOC2)N1CCOCC1,0,0,0,0
Nc1ncc(-c2cc(C3[C@H]4COC[C@@H]34)nc(N3CC4CC3C4)n2)cc1OC(F)(F)F,0,0,0,0
COc1ccc(CC(C)N2CCN(Cc3ccccc3)CC2)c(OC)c1,0,0,0,0
NC(=O)N1CCCc2cc(-c3cncc(C4(O)CCCOC4)c3)cnc21,0,0,0,0
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(NC(=N)N)cc2)NS(C)(=O)=O)cc1,0,0,1,0
Cc1c(NC(=S)Nc2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCP(=O)(O)O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
Cc1ccc(CNc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)o1,0,0,0,0
CC(C)(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1Nc1cnn(CCCF)c1,0,0,0,0
C[Si]1(C)CN(CCN2CCC(Cc3c[nH]c4ccc(F)cc34)CC2)S(=O)(=O)c2ccccc21,0,0,0,0
CS(=O)(=O)NCc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
O=C(O)c1cccc(NC(=S)N/N=C/c2cccc(O)c2)c1,0,1,0,0
COc1ccc(C2=NN(CCCCCNCC(O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)s1,0,0,1,0
O=S1(=O)c2ccccc2N(Cc2cccc(C(F)(F)F)c2)c2ccccc21,1,0,0,0
Cc1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C)cc1C,0,0,0,0
O=C1Nc2ccccc2C1=Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2,1,0,0,0
O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(CO)cc1,0,1,0,0
CC(C)Nc1nc(-c2ccc(CN3CCOCC3)c(S(C)(=O)=O)c2)cc2ncn(C)c(=O)c12,0,0,0,0
Clc1cncc(N2CC3CC(C2)N3)c1,0,0,0,0
Nn1c(Cc2cccc3ccccc23)nnc1SCn1nnc2ccccc2c1=O,1,0,0,0
CCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCCN2CCOCC2)s1,1,0,0,0
COC(=O)C(C#N)=Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1,0,0,0,0
CC(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)C1C(C)C,0,0,0,0
CCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0,0,0
Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(C(=O)OCc5ccccc5)c34)n(-c3ccccc3)c(=O)c12,0,0,0,0
CCC(=NCCCN(CC)CC)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0,0,0
CC(=O)c1ccc(N2CCN(C(=O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)CC2)cc1,1,0,0,0
O=C(c1cc(-c2cccs2)on1)N1CCOCC1,0,1,0,0
CCOC(=O)C1CCCN(C(=O)c2sc3nc(C)nc(N(CC)CC)c3c2C)C1,0,0,0,0
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3ccc(Cl)cc3)[nH]n12,0,0,0,1
CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2)c1C,0,1,0,0
C[C@H]1Cn2c(nnc2-c2cccnc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl,0,0,0,0
N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2ccc(N3CCCCS3(=O)=O)cc2)cc1,0,0,0,0
O=S(=O)(NCCc1csc(-c2cccc(F)c2)n1)c1cc(F)ccc1F,0,0,0,0
c1cc2nc3c(c(N4CCC4)n2n1)CCNCC3,0,0,0,0
Cc1cc(OCCCCCN2CCCC2)ccc1Cl,0,0,0,0
O=C(O)c1cc(F)cc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CC(C)CC(=O)NC1CCC(n2[nH]nc3cnc4nccc4c32)CC1,0,0,0,0
COc1ccccc1-c1nc(N(C)C)c2ccccc2n1,0,0,0,0
O=C(CCCCCCNc1ncnc2nc[nH]c12)NO,0,0,0,0
CCOCC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2,1,0,0,0
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(N(C)C)c4ccccc34)c3c(N)ncnc32)C1,0,0,1,0
COCC(=O)NC1CCN(c2cc(-c3ncc(C)cc3C)c(Cl)cn2)CC1,0,0,0,0
CCCCNC(=O)Oc1cccc(CN(CCC)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
O=C(O)CCCc1sccc1NN=C1C(=O)C=Cc2ccccc21,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC)c(C(N)=O)c3)cn2CCN2CCC2)CC1,0,0,0,0
COc1ccccc1C(=O)COC(=O)c1ccc(N(C)C)cc1,0,1,0,0
Cc1ccc(NC(=O)CO/N=C/c2ccc(N(C)C)cc2)cc1,0,1,0,0
CCOC(=O)c1sc(NC(=O)CC)nc1C,0,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc([N+](=O)[O-])cn3)ccc2o1,0,0,0,0
Cc1ccc(Nc2nc(SCc3cc(C)on3)n[nH]2)cc1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)cn1C,0,0,0,0
COc1cc(OC)c(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1Cl,0,0,0,0
CCOc1ccccc1NCc1nnc(-c2ccccc2)o1,0,0,0,0
CNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,0,0,0,0
CC12C(=O)N(c3cccc4cccnc34)C(=O)C1C1C=CC2C1,0,0,0,0
CCOC(=O)N1CCC(Nc2c(NCCCN3CCN(CC)CC3)c(=O)c2=O)CC1,0,0,0,0
Cc1cc(N[C@@H]2CCN(C(=O)OC3C4CC5CC3CC(C(N)=O)(C5)C4)C2)nc(C)n1,0,0,0,0
CNC[C@@H](O)[C@H](c1cccc(Cl)c1)N(C)c1ccccc1,0,0,0,0
OCC1(CCOc2ccccc2)CCN(Cc2ccc3c(c2)CCO3)CC1,0,0,0,0
CCCCCCC1(c2cc(O)c3c(c2)OC(C)(C)[C@@H]2CCC(=O)C[C@@H]32)SCCS1,0,0,0,0
C=Cc1cccc2c1N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2,0,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(=C/c3ccc(N(C)C)cc3)C(F)(F)F)c2)n1,0,0,1,0
CC(C)(C)NCCCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C,0,0,0,0
CN(C)C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)o1,0,0,0,0
COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)N2CCC2)cc1,0,0,0,0
O=C(O)/C=C/C(=O)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CCN(C)C)CCC2,0,0,0,0
CCOC(=O)CN1C(=O)NC(c2cccc(C(F)(F)F)c2)C(C(C)=O)=C1C,0,0,0,0
O=C(c1ncccc1-c1ccc2c3[nH]ncc3c(=O)n(CC(F)(F)F)c2c1)N1CCCOCC1,0,0,0,0
COC(=O)Cn1c(=O)[nH]c2c(=O)n(CC(=O)NC(C(=O)C(F)(F)F)C(C)C)ccc2c1=O,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)N2CCN(C(=O)OCC)CC2)c1C,0,0,0,0
CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1,0,0,0,0
COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccc(C(C)C)cc1,0,0,0,0
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(=O)OC,0,0,0,0
Cc1cccc(CSC2=CS(=O)(=O)c3ccccc3N2)c1,0,0,0,0
COc1cccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(Br)cc3)C2)c1,0,0,0,0
COc1cccc2c1ncc1c(=O)n(-c3cccc(C)c3)c(=O)n(C3CCC(C)CC3)c12,0,0,0,0
CCNc1nc2cc(OC)c(OC)cc2nc1NCCc1ccccn1,0,0,0,0
Nc1cc2c3c(c1)c(C(F)(F)F)c(CCCc1ccccc1)n3CCC2,0,0,0,0
COc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F,0,0,0,0
CCc1cccc(NC(=S)Nc2cccc3ccccc23)c1,0,0,0,0
CC(=O)c1cccc(CN2CCN(C(C)C)C(CCO)C2)c1,0,0,0,0
Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc6c(c5c4)OC[C@@H]4CCCN64)n3c2)cn1,0,0,0,0
COc1cccc(/C=N/n2c(-c3cccs3)n[nH]c2=S)c1,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1cc(C)c(C(N)=O)c(NC(=O)Nc2ccccc2Cl)n1,1,0,0,0
COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCN(C(=O)c4ccco4)CC3)cc2)c1,0,0,0,0
O=C(NC1CC1)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,1,0,0,0
CNc1nc(SC)nc2ccccc12,0,0,0,0
COc1ccc(C(C[N+](=O)[O-])C2(c3ccc(OC)c(OC)c3)C(=O)c3ccccc3C2=O)cc1,0,1,0,0
CN(C)CCNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1,0,0,0,0
COc1ccc(-c2ccc(C3C4C=CCC(C)C4C(=O)N3Cc3ccccc3)c(F)c2)cc1C,0,0,0,0
CCCc1nn2cc(-c3ccc(C)c(C)c3)nc2s1,0,1,0,0
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)c1,1,0,0,0
O=C1NC(=O)C2=C1c1cn(c3ncccc13)CCOCCOCCn1cc2c2cccnc21,0,0,0,0
COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1,0,0,0,0
COc1ccc(C2CCN(CCC3CCOc4ccccc43)CC2)cc1OC,0,0,0,0
Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc(C4(O)CCOC4)ccc3Cl)nnc12,0,0,0,0
CCC(=NNC(=S)Nc1ccccc1)C1C(=O)NC(=O)NC1=O,0,0,0,0
CCOC(=O)CSc1nc(C)c2cccc(C)c2n1,0,0,0,0
CC(=O)Nc1sc2c(c1CC(=O)NNC(=S)S)CCCC2,0,0,0,0
CC(C)c1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(S(C)(=O)=O)CC1,0,0,0,0
Oc1ccc2c(c1)sc1c3cc(O)ccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21,0,0,0,0
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(OC)nc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
C[C@H]1CN(CCO)CCN1c1cc2nc(SC(C)(C)C)[nH]c2cc1Cl,0,0,0,0
COC(=O)c1cc(=O)n(Cc2ccc(OC)c(OC)c2)c(=Nc2ccc(F)cc2)s1,1,0,0,0
O[C@H]1CC[C@H](Nc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)C1,0,0,0,0
CC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccncc1,1,0,0,0
Clc1nc2nc3n(c2nc1Cl)CCC3,0,0,0,0
O=C1N(c2ccncc2)CCN1c1cccc2c1cnn2-c1ccccc1F,0,0,0,0
COC(=O)C1CCC(CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(OC)c2)[C@H]2CCc3cc(Cl)ccc32)CC1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(Cl)cc2)CC1,0,0,0,0
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(Cc3ccccc3)c3cccc(C)c3)c2)CC1,1,0,0,0
COc1cc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)ccc1OC(F)F,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(C(F)(F)F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc2nc(CSc3nnnn3-c3ccc(O)cc3)[nH]c2c1,0,0,0,0
COc1cc(C(O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)nc(C)c1C#N,0,0,0,0
S=c1[nH]ncn1/N=C/c1ccc(N2CCOCC2)cc1,0,1,0,0
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccncc2)C2CCCCC2)cc1,1,0,0,0
CN(C(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2)C1CCCCC1,0,0,0,0
CC1C(c2cccs2)=[N+]([O-])C(C)(C(=O)c2cccs2)N1O,0,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(-c3ccc(C(=O)N4CCOCC4)cn3)ccc2o1,0,0,0,0
COc1ncccc1C1c2c(n[nH]c2C(C)(C)C)C(=O)N1c1ccc(-c2ccsc2)cn1,0,0,0,0
COc1cc(C(=O)N2CCN(C(=O)c3cc(-c4ccc(Br)cc4)n[nH]3)CC2)cc(OC)c1OC,1,1,0,0
Cc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3C[C@@H](O)[C@@H]3C)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2,0,0,0,0
CC1C(=O)NN=C2COc3cc(C(F)(F)F)c(OC4CNC4)cc3N21,0,0,0,0
CSc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
C=CC(=O)Nc1cc(CCn2c(=O)c(-c3cc(OC)cc(OC)c3Cl)cc3cnc(NC)nc32)ccn1,0,0,1,0
Cc1cc(C)c(S(=O)(=O)N2CCCC(C(=O)N3CCCC3)C2)c(C)c1,1,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)c(Br)c2n(CCC)c1=O,0,0,0,0
C=CCN1c2ccccc2C23CC(C(=O)OC)N(C(=O)CC(C)C)C2=NC(C(=O)OC)=C(C(=O)OC)C13,1,0,0,0
COc1ccc(C=CS(=O)(=O)NCc2ccccc2)cc1OC,0,0,0,0
COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)C1c1ccc(C(=O)OC)cc1,0,0,0,0
Cc1ccc(C2CCCc3cncn32)cc1,0,0,0,0
O=C(Nc1cnc2cccnn12)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,0,0,1,0
CN(C)c1ccc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)cc1,0,0,0,0
CC(C)[C@H](CO)NCc1nc(C2CCCN(C(=O)OC(C)(C)C)C2)ccc1F,0,0,0,0
COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1,0,0,0,0
COCCOc1ccn2c(-c3ccc4cccc(O[C@@H]5CNC[C@H]5OC)c4n3)cnc2c1,0,0,0,0
C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3ccc(F)c(OC)c3)ccc12,0,0,1,0
CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](F)[C@H]2S(=O)(=O)C1,0,0,0,0
Cc1nn(-c2ccccc2)c(=S)[nH]1,0,0,0,0
CCCn1cnc2c(sc3nc4c(cc32)CSC(C)(C)C4)c1=O,0,0,0,0
CCn1c(C)[n+](Cc2ccccc2)c2ccc(C(=O)OC)cc21,0,0,0,0
Clc1cccc(CN2CCN(Cc3ccccc3)CC2)c1,0,0,0,0
O=c1c2ccccc2nc(C=Cc2c[nH]c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1,1,0,0,0
CC(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1,1,0,0,0
Cc1nc2ccccc2n1S(=O)(=O)c1cc(C(=O)O)ccc1Cl,0,0,0,0
O=c1[nH]nc2cc(CO)c3ccc(-c4ccncc4)cc3n12,0,0,0,0
CC1CC2OCC3(O)CCC(O)C(C14CC(c1ccoc1)OC4=O)C23CO,0,0,1,0
COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CC3)n1)CCN2,0,0,0,0
Cn1nc(S(N)(=O)=O)sc1=N,0,0,0,1
COc1ccc2c(=O)n(C)c(CN(C)C)c(-c3ccccc3)c2c1,0,0,0,0
CN(/N=C/C=C/c1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,0,0,0,0
COCc1c(C(=O)OCc2c(C)noc2C)oc2ccccc12,0,0,0,0
O=C(c1ccco1)N1CCC2(CCCN(c3ccccn3)C2)CC1,1,0,0,0
CC1(C)[C@H](c2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2cccc(-c3ccc(F)c(F)c3)c2)[C@@H]1C(=O)O,0,0,0,0
CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,0,1,0,0
Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(O)cc3)nc2c1,0,0,0,1
Cc1ccccc1CN1CCN(Cc2ccccc2C(F)(F)F)CC1,0,0,0,0
Cc1cccc([C@@H]2CN(C3CCOCC3)C(=O)N2C2CCN(Cc3ccc(Oc4ccc(C(=O)O)cc4)nc3C)CC2)c1,0,0,0,0
O=C1CSC(=S)N1N=Cc1ccc(C(F)(F)F)cc1,1,0,0,0
O=c1oc2ccccc2n1CCCOc1ccccc1,1,1,0,0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](C)O)c5)cnc(N)c34)cc2)c1,0,0,0,1
COc1cccc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)cc4)c3n2)n1,0,0,0,0
COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1,0,0,0,1
CC(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
Cc1ccc(C(=O)OCc2cn3ccccc3n2)cc1,1,0,0,0
COc1ccc(C2CC(=O)N=C3NN=C(c4ccccc4)C32)cc1OC,0,0,0,0
Cc1nc(C)c(CNc2nc(OCC3CC3C3CCCN3C)nc(Cl)c2C)s1,0,0,0,0
O=C1Cc2ccccc2N1CCCCCN1CCN(c2cccc3[nH]cnc23)CC1,0,0,0,0
O=S(=O)(NCc1ccccc1)c1ccc2ccccc2c1,0,0,0,0
Cc1ccc(-c2nnc(-c3cc(C)on3)o2)cc1,0,1,0,0
Cn1cc(Br)c(C(=O)NNC(=O)c2ccc(Cl)cc2)n1,0,1,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1C,0,0,0,0
O=c1n(C[C@@H]2C[C@H]2c2ccccn2)nc2cccc(N3CCOCC3)n12,0,0,0,0
COc1ccc(CN2CCN(Cc3ccccc3)CC2)c(OC)c1,0,0,0,0
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1N1CCOCC1,1,0,0,0
CCCCNc1nc(SCC)nc2c1cnn2CC(Cl)c1ccccc1,0,0,0,0
O=C(O)c1ccc(C(=O)N2CCC(Nc3cc(=O)[nH]c4ccc(C(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc34)CC2)cc1,0,0,0,0
O=S(=O)(Nc1ccc(Oc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cc1)c1cccs1,0,0,0,0
Oc1oc(-c2ccccc2)nc1/C=N/c1nccs1,0,1,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCc1ccc(Br)cc1,0,0,0,0
COc1cccc(-n2c(=O)n(Cc3c(F)cccc3F)c3cnc(NCC4CC4)nc32)c1,0,0,0,0
CCCC(C(=O)O)N1C(=O)C(=C2C(=O)N(C)c3ccccc32)SC1=S,0,0,0,0
CCOC(=O)c1cccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c1,0,0,0,0
O=c1cc(N2CCOCC2)nc(Cc2nc3ccccc3n2Cc2ccccc2)[nH]1,0,0,0,0
CCOc1c(O)ccc(C2NC(=O)NC(C)=C2C(=O)OC)c1[N+](=O)[O-],0,0,0,0
CC(=O)NC12CC3CC(C1)CC(C(=O)Nc1nc4c(C)cccc4s1)(C3)C2,1,0,0,0
COCCCn1c(C2CCCCC2)nc2oc3cc(OC)ccc3c(=O)c2c1=O,0,0,0,0
COc1ccc2c(c1)[nH]c1c(=O)n(N)cnc12,0,0,0,0
CC(=O)Nc1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
O=C1NC(=O)C(=Cc2ccc(Br)o2)S1,0,0,0,1
Cn1cccc1/C=C1\SC(=S)N(NC(=O)c2cccc(Cl)c2)C1=O,1,0,0,0
Cc1ccccc1CSc1nnc(-c2ccccc2)c(=O)[nH]1,0,1,0,0
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)nc(CN2CCCC2)n3C)cc1,0,0,0,0
c1ccc(-c2ccc(CNc3nc(-c4ccccn4)nnc3-c3ccccc3)cc2)cc1,0,1,0,0
Nc1nc(-c2ccc3c(c2)CCO3)cs1,0,0,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Cl)cc1,0,0,0,0
CCc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
Cn1cnc2cc(-c3ccc(N4CCC[C@@H]4CO)c(S(C)(=O)=O)c3)nc(N[C@@H]3CCOC3)c2c1=O,0,0,0,0
CCOc1ccc(OCCOCCN2CCCC2)cc1,0,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2O)cc1,0,0,0,0
C[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(-c2ccc(N(C)C)cc2)cc1F,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC)c(OC)c3)oc2c1,0,0,0,0
CC(C)C1(N2CCC3(CC2)C(=O)NCC3c2ccccc2)CCCCC1,0,0,0,0
COC(CNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)OC,0,0,0,0
COc1cccc(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1OC,0,0,0,0
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1,0,1,0,0
CCc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)cc1,0,0,0,0
CCCC1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)c2cnc(=S)[nH]c2O)c1,0,0,0,0
CN(C)CCCn1c(-c2cc3ccccc3s2)c(C2=CC(=O)NC2=O)c2ccccc21,0,0,0,1
CCOC(=O)c1c(-n2cnnn2)sc2c1CCCC2,0,0,0,0
CC(C)(C)c1cnc(CSc2cnc(NC3CCNCC3)s2)o1,0,0,0,0
CC[C@@H](Nc1c(Nc2cc(C)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
CC12CN3CC(C)(CN(C1)C3c1ccccc1)C2O,0,0,0,0
Cc1cccc(N2C(=O)CC(N3CCN(C(=O)c4ccccc4)CC3)C2=O)c1,0,0,0,0
CCCn1c(=O)c2c(cc(-c3ccc(OC)cc3)n2O)n(CCC)c1=O,0,0,0,0
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2nc[nH]c2C)CC3)cc1,0,0,0,0
CC1CC(=O)c2c(Sc3cccs3)ccc(-c3ccccn3)c2C1,0,0,0,1
CCOC(=O)C(C)(C)Sc1ncnc2nc[nH]c12,0,0,0,0
COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1cccc(C)c1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
COc1ccccc1CCNC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1,1,0,0,0
CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccncc4)c3c2C)cc1,0,0,0,0
COc1cccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)c1,0,1,0,0
COc1cccc(C(=O)COC(=O)CCCC(=O)NC2CCCCC2)c1,0,1,0,0
CN(c1nnc(N)s1)C1CCCCC1,1,0,0,0
CCN(CC)CCCCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(CN(C)Cc3ccccc3)cc1)C2,0,0,0,0
S=C(NC1CCCCC1)N1CCC(c2cnc[nH]2)CC1,0,0,0,1
Cc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n[nH]1,0,0,0,0
CN(C)CCCn1c(SCC(=O)Nc2nc(-c3cccc(Br)c3)cs2)nc2ccccc2c1=O,1,0,0,0
O=S(=O)(c1ccc2ccccc2c1)N1CCN(c2ccc(O)cc2)CC1,1,0,0,0
COc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
CCOC(=O)CSc1nc(C)c2ccc(C)cc2n1,0,0,0,0
CN1CCN(c2ccc(Nc3cc(-c4c[nH]c5ccccc45)ncn3)cc2)CC1,0,0,0,0
C=C(C)c1cccc(C(C)(C)NC(=O)N2CCN(c3ccccc3OC)CC2)c1,1,0,0,0
Nc1c(C(=O)c2ccc3c(c2)OCO3)sc(Nc2ccccc2F)c1S(=O)(=O)c1ccccc1,1,0,0,0
O=S(=O)(c1ccc(Br)cc1)n1c(Cc2ccccc2)nc2ccccc21,0,0,0,0
Clc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1,1,0,0,0
Nc1ccncc1-c1ccccc1O[C@H]1C[C@@H]2CNC[C@H]1C2,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)s1,0,0,0,0
O=[N+]([O-])C=Cc1ccc(N2CCCC2)c(F)c1,0,0,0,0
COc1cccc(C(=O)c2cc3cc(/C=C/C(=O)NO)ccc3n2S(=O)(=O)c2ccccc2)c1,0,0,0,1
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C3CCCO3)c2)CCCCC1,0,0,0,0
Cc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(SCC(N)=O)o2)cc1,0,0,0,0
CC1(C)Cc2nc3n[nH]c(N)c3cc2CO1,0,0,0,0
N#CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
OC1CCCN(Cc2c3ccccc3cc3ccccc23)C1,1,0,0,0
Cc1ccc(SCC(=O)N2CCc3ccccc32)cc1,0,1,0,0
Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c1,0,0,0,0
CC(C)[C@H](C(=O)NO)N(Cc1cccnc1)S(=O)(=O)c1ccc2ccccc2c1,0,0,0,0
O=C(O)C1CC=CCC1C(=O)Nc1cccc(O)c1,1,0,0,0
O=C(c1ccccc1)N1CCC(O)(c2ccc3c(c2)OCO3)CC1,0,0,0,0
COn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
N#Cc1cc(Cl)c(N2CCOCC2)cc1C#N,0,0,0,0
CN(C)C=C1C(=O)c2ccc(N(C)C)nc2CC1c1ccccc1,1,0,0,0
O=C1/C(=C2\Nc3ccccc3C2=O)Nc2ccccc21,1,0,0,0
O=Cc1ccc(N2CCOCC2)cc1O,0,0,0,0
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(N)c1,0,0,0,0
Cc1cc(C(=O)N[C@@H]2C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@H](C=O)CCC(=O)N(C)Cc3cccc2c3)no1,0,0,1,0
CCN(c1c(C)nn(C)c1C)S(=O)(=O)c1c(Cl)cc(CCCN2CCN(C)CC2)cc1Cl,0,0,0,0
Cc1cccc(-n2c(-c3csc(C)c3)n[nH]c2=S)c1,0,0,0,0
O=C1c2ccc(C3CC3)cc2OCCN1c1cccc(-c2ccnc3[nH]c(-c4ccc(CN5CCS(=O)(=O)CC5)cn4)cc23)c1CO,0,0,0,0
Cc1cc(Nc2ccc(F)c(Cl)c2)n2nc(C)nc2n1,0,0,0,0
O=C(OCc1ccccc1F)c1ccc(-c2nnn(Cc3ccccc3)n2)cc1,0,0,0,0
O=C(CSc1ccccc1)N1CCc2ccccc21,0,1,0,0
CC(CN(C)Cc1ccccc1)OC(=O)c1ccc2c(c1)OCCO2.Cl,0,0,0,0
CCC(CC)C(=O)Nc1cc(-c2cccc(C)c2)nn1-c1ccccc1,0,0,0,0
CCNC(=O)c1ccc(C)c(-n2cnc3ccc(N4CCN(C)CC4)cc3c2=O)c1,0,0,0,0
c1ccc2c(c1)ncn2-c1ccc(-c2ccnc(-c3ccncc3)n2)cc1,0,0,0,0
Cc1cc(=O)[nH]c(SCCCOc2ccccc2Cl)n1,0,1,0,0
CCCCCCCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CCN1C(=O)C(=C2C=Cc3cc(C)ccc3N2CC)N(C)C1=S,0,0,0,0
CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2F)nc2nc[nH]c12,1,0,0,0
On1ncc(C2CCNCC2)c1-c1cnc(-c2ccccc2)[nH]1,0,0,0,0
Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(=O)N4CCOCC4)c3)n2C)c1,1,0,0,0
O=C(c1ccco1)N1CCN(c2ncnc3c2oc2ccccc23)CC1,0,1,0,0
CNC(=O)Nc1ncc(SCCCO)cc1Oc1cccnc1C,0,0,0,0
CC(C)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2F)CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2F)C(N)=O)NC1=O,0,0,0,1
CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,0,0,0,0
O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccccc3)ccc21,0,0,0,0
S=C(NCc1ccco1)N1CCN(Cc2ccc(Cl)cc2Cl)CC1,1,0,0,0
CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCCCC2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1[N+](=O)[O-],0,0,0,0
O=S1(=O)C=CC(N2CCOCC2)C1,0,0,0,0
O=C(O)/C=C\C(=O)Nc1ccc(N2CCN(c3ccc(Cl)cc3)CC2)cc1,0,1,0,0
c1ccc(N2CCC3(CCCNC3)C2)nc1,1,0,0,0
Cc1ccccc1-n1c(-c2csc(C)c2C)n[nH]c1=S,1,0,0,0
O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(c3cccc(Cl)c3)CC2)C(=O)c2ccccc21,1,0,0,0
COCCOC(=O)C1=C(C)NC(=O)N(C(C)=O)C1c1ccc(Cl)cc1,0,0,0,0
CC(=O)N1CCc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1C,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCCC2c2ccc(F)cc2)cc1,0,0,0,0
Nc1cc(C2CCCNC2)nc2c(-c3cncnc3)cnn12,0,0,0,0
C=C1C(=O)OC2C1CCC(C)(O)C13C=CC(C)(C21)C1(C3)C(=O)OC2C3C(C)=CCC3C(C)(O)CC(OC(C)=O)C21,1,0,0,0
CN1CCC[C@H]1COc1ccc(S(C)(=O)=O)cc1-c1cn(C)c(=O)c2[nH]ccc12,0,0,0,0
Cn1c(SCC(=O)O)nnc1-c1ccc2ncccc2c1,1,0,0,0
CCc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0,0,0
O=C1NC(=O)C(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)(C(F)(F)F)O1,0,0,0,0
Cc1c(NN=C2C(=O)NC(=O)N(c3ccc(Br)cc3)C2=O)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1cccc(CN2C(=O)CN(C3CCCCC3)C(=O)C2c2ccc(OC)c(OC)c2)c1,0,0,0,0
COc1ccc(O)c(CNc2ccc(C(=O)O)cc2)c1,0,0,0,0
Cn1cnc(S(=O)(=O)N(CC2CCNCC2)C2Cc3cc(C#N)ccc3N(Cc3cncn3C)C2)c1,0,0,0,0
CC(C)Cc1nn2cc(-c3cccc(Br)c3)nc2s1,0,1,0,0
CC1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCN(C5CCOCC5)CC4)c3)ncc21,0,0,0,0
CCC1(CC)C(=O)N(C)C(=O)N=C1Nc1ccc(OC)cc1,0,0,0,0
CC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1n[nH]c(C2CC2)n1,0,0,0,0
N#CC(=Cc1cn(CCOc2ccccc2)c2ccccc12)C(=O)NCC1CCCO1,1,0,0,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1.O=[N+]([O-])O,0,0,0,0
Oc1ccc2c3c1O[C@H]1c4nc5ccccc5cc4C[C@@]4(O)[C@@H](C2)N(CCF)CC[C@]314,0,0,0,0
O=C(NCCc1ccccn1)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,1,0,0,0
CCn1cc(C(=O)NCCCN(CC(C)C)CC(C)C)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0,0,0
O=C(CNc1ccc2ccccc2c1)NN=CC=Cc1cccc([N+](=O)[O-])c1,1,0,0,0
c1ccc(Oc2cccc3cccnc23)nc1,0,0,0,0
C=C(CC(NC(=O)c1ccc(N(C)Cc2cnc3nc(N)nc(N)c3n2)cc1)C(=O)O)C(=O)O,0,0,0,0
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C(N)=O)ccc2c1=O,0,0,0,0
O=C(OCC(=O)c1cccs1)c1ccccc1,0,1,0,0
Cc1c(NC(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)cnc2ccccc12,0,0,0,0
COc1ccc(N2C(=O)CC(Cc3ccc(Br)cc3)C2=O)cc1,0,0,0,0
Cc1noc(C)c1-c1nc(NC2CC2)c2ccccc2n1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2c(F)c(F)c(F)c(F)c2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
CCOc1ccc(-c2nn(CC(=O)NC3CCCC3)c3c2cnc2ccc(F)cc23)cc1,1,0,0,0
Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(CCCN2CCNCC2)cc1Cl,0,0,0,0
CC1=C2c3cccc(-c4cc(C)no4)c3CCN2C(=O)CN=C1n1cnc(C2CC2)c1,0,0,0,0
COc1ccc(NC(=S)N/N=C/c2ccc(F)cc2)cc1OC,0,0,0,0
CN/C(=C\[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0,0,0,0
CC1CC(C)CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)C1,1,0,0,0
CN1C(=O)N(c2cc(C(F)(F)F)ccn2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1S(C)(=O)=O,0,0,0,0
COc1cc(C=NN2C(=O)CSC2=S)cc(Br)c1O,0,0,0,0
CCC(Nc1ncc(-c2ccccc2)n1C)c1ccc(Cl)cc1,0,0,0,0
CC1(C)C(C#N)=C(N)OC2=C1C(=O)CCC2,0,0,0,0
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC3CCS(=O)(=O)C3)c2n1,1,0,0,0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(OC(F)(F)F)cc4)n3)c2)CCOCC1,0,0,0,0
Cc1ccc(/C=N/NC(=O)c2sccc2OCc2ccc(F)cc2)cc1,0,1,0,0
CCc1n[nH]c(=S)n1N=Cc1ccccn1,0,0,0,0
CCOc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2F)cc1,0,1,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2O)c1C,0,0,0,0
Cc1ccc(Nc2c(-c3ccc(C)s3)nc3ccccn23)cc1,0,1,0,0
CC(Cc1ccc2c(c1)OCO2)N1CCC(Oc2cccc3ccc(N)nc23)C1,0,0,0,0
N/C(=N\OC(=O)c1cccnc1)c1ccc(Cl)cc1Cl,0,0,0,0
CN1CCCc2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc3n2C)C1,0,0,0,0
CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(C)C1c1ccc(OC)cc1,0,0,0,0
COC(=O)Cc1c(O)ccn(Cc2ccccc2OC)c1=O,0,0,0,0
CCC(=O)Nc1cccc(Nc2cc(Nc3cccc(Br)c3)ncn2)c1,0,0,0,0
Nc1nc2n(c1C(=O)c1ccccc1)CCC2,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(NC(=O)[C@H](N)C(C)(C)C)CC1,0,0,0,0
CCn1c(C)nc2cc(C(=O)N3N=C(CCOC)CC3(O)C(F)(F)F)ccc21,0,0,0,0
CCOCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2(C)C)C1=O,0,0,0,0
Cc1ncoc1C(=O)Nc1ccc(Oc2ccccc2)cc1,0,1,0,0
O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCOCC3)nc2n1CC1CCCO1,0,0,0,0
COc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(oc12)CCNC3,0,0,0,0
Clc1ccc2nc(-c3cccs3)c(Nc3ccc4c(c3)OCCO4)n2c1,0,0,0,0
Cc1ccc(Cc2ccnc(COc3ccc(C)cc3)c2)cc1,0,0,0,0
COc1ccc(CCN2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)cc1OC,1,0,0,0
C#CCCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)C3N(C)c4ccccc4C23CC1C(=O)OC,1,0,0,0
CCNc1nc(-c2ccc(C3(N)CC3)nc2)cc2ncn(C)c(=O)c12,0,0,0,0
NS(=O)(=O)c1ccc(N=Nc2nc3[nH]c(=O)[nH]c(=O)c3[nH]2)cc1,0,0,0,0
CCOC(=O)C(=O)N(Cc1ccc(F)cc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
CN1CCN(c2ncc3nc(-c4cccc(C#N)c4)c(=O)n(CC4CCCO4)c3n2)CC1,1,0,0,0
CCN1CCN(C2=NC(=O)C(=Cc3ccc(C)o3)S2)CC1,0,0,0,0
COc1cc2c3c(-c4ccccc4)c[nH]c(=O)c3n(C)c2cc1OC,0,0,0,0
CCC(C)NC(=O)CC1Oc2ccc(C)cc2NC1=O,1,0,0,0
CCNCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0,0,0
NC(N)=NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccnc2)c1F,0,0,0,0
Cn1cnc([N+](=O)[O-])c1Sc1nnc[nH]1,0,0,0,0
CCc1cccc2c(C(=O)Cn3nnc(-c4ccc(OC)c(OC)c4)n3)c[nH]c12,1,0,0,0
C=CCn1c(SCC(=O)NCCO)nc2sc(C)c(C)c2c1=O,0,0,0,0
O=S(=O)(Nc1cccc(Oc2ccc(Cl)cc2)n1)c1ccc(F)cc1,0,0,0,0
O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4ccc(C(F)(F)F)cc4)c3=O)ccc2/C1=C/c1ccc[nH]1,0,0,0,0
CC(C)(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12,0,0,0,0
Clc1ccc(CN(Cc2ccc(Cl)cc2)c2nn[nH]n2)cc1,1,0,0,0
CNc1ncc2c(-c3cccnc3)nn(CC3CCC(N)CC3)c2n1,0,0,0,0
Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCS(=O)(=O)CC3)cc2F)cn1,0,0,0,0
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(=O)O)c(F)c2)c1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nnn3c2nc(NCCc2ccccc2)c2sccc23)cc1,0,0,0,0
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCc2ccccc2)c(C)o1,1,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc3[nH]ccc3c2)cc1,0,0,0,0
O=C(O)CCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0,0,0
CCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,0,0,0,0
Cc1nc2nn(-c3ccccc3)nc2c(=O)[nH]1,0,0,0,0
O=C(O)CCNC(=O)c1ccc(C(CC(F)(F)F)Nc2cnc3ccccc3c2)cc1,0,0,0,0
CCCCn1cnc2c(sc3nc4c(cc32)CSC(C)(C)C4)c1=O,0,1,0,0
CCOc1ccc(-n2c(O)c(C=NNc3nnc(C)c(=O)[nH]3)c3ccccc3c2=O)cc1,0,0,0,1
C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)c1,0,0,1,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)F)cc1,0,0,0,0
Nc1nc(NCCCCCC(=O)NO)c2[nH]cnc2n1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3F)C2)nc(C(C)(F)F)c1F,0,0,0,0
COCCN1CCc2nc(C#Cc3ccccc3)sc2C1=O,0,0,0,0
Cc1c(Cl)cccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1,0,0,0,0
c1ccc2c(NCCCN3CCCC3)c3c(nc2c1)CCCCC3,0,0,0,0
CC(C)Oc1ccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCCC2)cc1,0,0,0,0
CCn1ncnc1COc1nn2c(-c3ccccc3F)nnc2cc1C(C)(C)C,0,0,0,1
CCOc1ccc(CSC2=NCCN2)cc1Cl.Cl,0,0,0,0
O=c1cc(-c2cccc3c2Sc2ccccc2S3)oc(N2CCOCC2)c1,0,0,0,0
C[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(CC(N)=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
CCCN(CCC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
C=CCSc1nc(=O)n2ccc(C)cc2n1,0,0,0,0
Cc1nnn(C23CC4CC(CC(C4)C2)C3)n1,0,0,0,0
COC(=O)C1(O)C(OC(C)=O)CCC2C3(CC(c4ccoc4)OC3=O)C(C)=CCC21C(=O)OC,0,0,1,0
NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1cc(Cl)cc(Cl)c1,0,0,0,0
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCCO,0,0,0,0
O=S(=O)(/N=C(\c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1,0,0,0,0
CCOC(=O)c1ccc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)cc1F,0,0,0,0
CN(C)CCc1nn[nH]n1,0,0,0,0
CN(C)N1C(=O)CC(N2CCCC2)C1=O,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C(/C)C(F)(F)F)c3)c12,0,0,0,0
CCC(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
CC1Cc2c(OCc3ccc4ccccc4n3)ccc3c2c(c(CC(C)(C)C(=O)O)n3Cc2ccc(Cl)cc2)S1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Cl,0,0,0,0
CC(C)Nc1nc(-c2ccc3c(c2)C(=O)C(=O)N3C)cc2ncn(C)c(=O)c12,0,0,0,0
O=c1on(C(=S)Nc2ccc(F)cc2)c(-c2ccncc2)c1-c1ccc(F)cc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(CCO)C4CC4)ncc3F)C2)cc1,0,0,0,0
COc1cccc(-c2ccc(OCCN3CCC[C@H]3C(=O)O)c(Sc3cccc(F)c3)c2)c1,0,0,0,0
COc1cc(C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2cccc(C)c2)cc(OC)c1OC,1,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1C,0,0,0,0
O=c1c2cc(-c3ccccc3)sc2nc2n1CCC2,0,1,0,0
CN1C(=O)C(c2ccsc2)(c2cccc(-c3cccnc3F)c2)N=C1N,0,0,0,0
Cc1ccc(C)c(-n2nnc(-c3nc(-c4ccccc4C)no3)c2C)c1,0,0,0,0
Clc1ccc(CN2CCO[C@H](COc3cccc(Cl)n3)C2)cc1,0,0,0,0
Cc1cc(Nc2ccc(Br)cc2F)n2ncnc2n1,0,0,0,0
CCNc1ncc2nc(C)c(=O)n(C3CC3)c2n1,0,0,0,0
CCOc1ccc(CC(=O)C2=C(N3CCOCC3)CC(C)(C)CC2=O)cc1OCC,0,0,0,0
C#CCOc1ccc(-c2cc2=O)cc1,0,0,1,0
CSc1nn2cc(-c3nc4cc(C)ccc4o3)nc2s1,0,0,0,0
COc1ccc2cc3cc(C(=O)NCc4ccco4)oc3nc2c1,0,0,0,1
Cc1cccc(-c2ccc(OC(Cc3ccccc3)C(=O)O)cc2)c1,0,0,0,0
Cc1ccc2nc(C(C#N)=Cc3ccc(N4CCCCC4)c([N+](=O)[O-])c3)[nH]c2c1,1,0,0,0
COc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1,0,0,0,0
Cc1ccc2c(c1)N(CCC(=O)NCCCOC(C)C)C(=O)C(C)O2,0,0,0,0
NC(=O)C1CC12c1ccccc1-c1ccccc12,0,0,0,0
COc1cc(C(=O)N2CCOCC2)c(F)cc1Nc1ncc(C(F)(F)F)c(NC2CC2)n1,0,0,0,0
Cc1cc(C)cc(C(=O)OCC(=O)N2CCCCCC2)c1,0,0,0,0
COCCOc1ccc(Nc2nc(Nc3cc4c(cc3OC)CCN(CC(=O)N(C)C)CC4)ncc2Cl)c(OC)c1,0,0,0,0
CC(C)(C)NC(=O)C1CCC2C3CCC4NC(=O)CCC4(C)C3CCC12C,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ncccc2Cl)CC1,0,0,0,0
CNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12,0,0,0,0
COc1cc(OC)c(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)cc1Cl,0,0,0,1
CCOc1ccc(Nc2c(C)c(OC3CCC(N)CC3)nc3ccnn23)cc1,0,0,0,0
CN(C)CCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12,0,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CN(C(=O)OC(C)(C)C)C1,0,0,0,0
Cc1ccc(CN2c3ccccc3S(=O)(=O)c3ccccc32)cc1,0,0,0,0
CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1cccs1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccccc1F,0,0,0,0
O=C1C(C(c2cccs2)N2CCN(c3ccc(F)cc3)CC2)Sc2ncnn21,0,0,0,0
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,1,0,0,0
O=C(O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1C(C(=O)NCCC(C)C)CSC21,0,0,0,0
CCOc1ccc(C2C(C(=O)Nc3ccccc3)=C(C)N=C3NC(c4ccccc4Cl)=NN32)cc1OC,1,0,0,0
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(C(F)(F)F)ccc4F)cc3)ccc12,0,0,0,0
c1ccc2c(c1)CC(CCN1CCC1)=C2Cc1cnccn1,0,0,0,0
Cc1nc(NC(=S)NC(=O)c2cccs2)ccc1Br,1,1,0,0
O=C1CC(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=Nc2ccccc2N1,0,0,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2cccc3c2OCCO3)nc2c1CCN2,0,0,0,0
Cn1c2cccc(C(N)=O)c2c(=O)n1C1CCN(CC2CC=CCC2)CC1,0,0,0,0
S=c1cc(N2CCOCC2)oc2c1ccc1ccccc12,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(Cl)c1)C(F)(F)F,0,0,0,0
CCCCOc1ccc(CNC(=O)CN2CCSc3ccccc32)cc1,1,0,0,0
CCOc1ccc(NC(=O)CN(C)C(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)cc1OCC,1,0,0,0
COC1OC(=O)C2=C1C1(C)CCCC(C)(C)C1CC2O,0,0,0,0
CCCCN(Cc1ccc(O)c(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
CCCCCCC(C)(C)c1ccc([C@@H]2CCC[C@@H](O)C2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)CC(=O)c2ccc3c(c2)OCCO3)cc1,0,1,0,0
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12,0,0,0,0
CCn1cnc2c1c(=O)n(CC(=O)OC)c(=O)n2Cc1ccccc1,0,0,0,0
c1ccc2nc(OCc3cn4c(-c5cnc(N6CCNCC6)nc5)cnc(N5CCOCC5)c4n3)ccc2c1,0,0,0,0
COc1ccc(NC(=O)C(C#N)=Cc2cc(C)n(-c3ccc4c(c3)OCO4)c2C)cc1,1,0,0,0
CCN1CCC(n2cc(-c3cnc4ccc5ccc(NS(=O)(=O)N(C)C)cc5c(=O)c4c3)cn2)CC1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)NCCn2ccc3ccccc32)c(C)c1,1,0,0,0
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cc(C)n(C)c1C,0,1,0,0
COC(=O)CN1C(=O)C2C(C=Cc3ccccc3)N3C(=O)CN(CCO)C(=O)C3(Cc3ccccc3)C2C1=O,0,0,0,0
Cn1c(Nc2cc(C(F)(F)F)ccc2F)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0,0,0,0
CCC(=O)Nc1ncnc2ncn(C(=O)CC)c12,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C2CCNCC2)CC1,0,0,0,0
CC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1,0,0,0,0
Cc1nc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cs1,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@H]2C(=O)O)c1,0,0,0,0
NS(=O)(=O)c1ccc(NCc2cnc3ccccc3c2)cc1,0,0,0,0
CC(C)C[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,0,0,0,1
COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@@H](N1CCC(C3CCCCC3)=CC1=O)c1cc-2ccn1,0,0,0,0
O=C(NCCCO)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,1,0,0
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCCN(C(=O)CO)C2,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(Cl)c1)C(F)(F)F,0,0,0,0
O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1,0,0,0,0
COc1cccc2c1ncc1c(=O)n(-c3cccc(Cl)c3)c(=O)n(C3CCC(F)(F)CC3)c12,0,0,0,0
O=C(c1cnccn1)N1CCCC2(CCN(C(c3ccccc3)c3ccccc3)C2)C1,1,0,0,0
CCCC(=O)N=C(N)Nc1nc(C)c2cc(C)ccc2n1,0,0,0,0
CCc1noc(C)c1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)c(C)s1,1,0,0,0
CCCn1ncc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1C,0,0,0,0
Cc1ccc(-c2nn3c(-c4ccc(S(N)(=O)=O)cc4)nnc3s2)cc1,0,0,0,0
O=C(O)[C@H](Cc1ccc(OCCCCC2CCNCC2)cc1)NS(=O)(=O)/C=C/c1ccccc1,0,0,0,0
CC(C)CNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCOCCOCCn1cc2c2cccnc21,0,0,0,0
CC(C)CNc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1,0,0,0,0
Brc1c(Br)c(Br)c2[nH]c(N3CCNc4ccccc43)nc2c1Br,0,0,0,0
NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2F)cc1)C(=O)O,0,0,0,0
COc1ccc(/C=C/c2nnc(NC(=O)COc3ccc(C)cc3)s2)cc1,1,0,0,0
Nc1ccc(CC(C(=O)O)c2cn(C3CCCC3)cn2)cn1,0,0,0,0
CC(C)c1ccc2oc(=O)cc(CN3CCOCC3)c2c1,0,0,0,0
CN(C)C(=O)[C@@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(C)(C)C,0,0,0,0
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1,0,0,0,0
C=CCn1c(SCC(C)=O)nc2sc3c(c2c1=O)CCC3,0,0,0,0
Cc1oc(C(=O)O)cc1COc1ccc2c3c(c(=O)oc2c1C)CCC3,0,1,0,0
Cn1cnc2cc3c(cc21)C1CNCC3C1,0,0,0,0
CCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S,0,0,0,0
COc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(=O)O)c1,0,1,0,0
Cc1cnc(NCCc2ccc(F)cc2)c(=O)n1CC(=O)NCCON=C(N)N,0,0,0,0
CC(=O)CSc1ncnc2nc[nH]c12,0,0,0,0
COC(C)(C)CN[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cc1cc(OCc2nc(-c3ccc(Cl)c(Cl)c3)ns2)ccc1OC(C)(C)C(=O)O,0,0,0,0
CCc1ncccc1Oc1cc(CCCCOC)cnc1NC(=O)NC,0,0,0,0
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)C1C(=O)N(c3ccccc3)C(=O)C1CN2C(=O)CN1CCOCC1,0,0,0,0
COc1ccc([N+](=O)[O-])cc1NCc1cccc([N+](=O)[O-])c1,0,0,0,0
CCOC(=O)CN[C@@H](C(=O)N1CC[C@H]1C(=O)NCc1ccc(C(=N)NO)cc1)C1CCCCC1,0,0,0,0
Cc1nn(-c2ccccc2)c(N)c1Sc1ccc([N+](=O)[O-])cc1,0,0,0,0
COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)cc1,0,0,0,0
CCC1C2=C3C(CCC4C(OCc5ccc(F)cc5C(F)(F)F)OCC(C)(C34)N(C(=O)OC(C)(C)C)C2)C(COC(C)=O)C1COC(C)=O,1,0,0,0
CCOC(=O)N1CCN(c2cc(NCCC(=O)O)c3c4c(onc24)-c2ccccc2C3=O)CC1,1,0,0,0
COc1ccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1OC,1,0,0,0
COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)cc3)CC2)cc1,1,0,0,0
COc1ccc(Cl)cc1S(=O)(=O)NCc1ccncc1,0,0,0,0
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
O=c1[nH]nc(-c2ccnc(NC3CCOCC3)c2)n1-c1ccc2cc(Br)ccc2c1,0,0,0,0
COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1,0,0,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCC(O)CC3)cc2)c2ccc(O)cc12,0,0,0,0
CC(C)N1CCC(Oc2ccc3c(c2)cc2n3CCN(Cc3cccnc3)C2=O)CC1,0,0,0,0
Cn1c(=O)n(C)c2ncc(Cl)cc21,0,0,0,0
CC1CC/C(=N\Nc2nc(-c3ccc(C#N)cc3)cs2)C1,0,0,0,0
Cc1cc(C)cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1,0,0,0,0
CN(C)CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F,0,0,0,0
COc1cc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)NCCCn2ccnc2)cc(OC)c1OC,1,0,0,0
CC(C)CC(C)(CO)NC(=O)c1ccc(C2CC(F)(F)C2)c(OCC2CC2)n1,0,0,0,0
CC(=NCc1cccnc1)C1=C(O)c2ccccc2C1=O,0,0,0,0
CCCC1C(=O)CC[C@@H](C)[C@@H](CCc2cccnc2)OC(=O)[C@@H]2CCCN(C2)C(=O)C(=O)CSCC[C@@H](OC)C[C@@H](C)CC(=O)N1C,0,0,0,0
S=C(NN=Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cl,0,0,0,0
CCOC(=O)Cc1csc(NC(=O)CSc2nc(=O)c3c(C)c(C(=O)O)sc3[nH]2)n1,1,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCCCN2CCOCC2)cc1,1,0,0,0
CC(C(=O)Nc1ccc2c(c1)OCO2)N1CCN(C)CC1,0,0,0,1
N=C(N)c1ccc(N2CCN(c3ccc(CCC(=O)O)cc3)CC2)cc1,0,0,0,0
COc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)F)c(Cl)c1,0,0,0,0
COc1ccccc1CNc1ccc(C(=O)O)cc1,0,0,0,0
N#CCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCC1,0,0,0,0
CCN(CC)CCSc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
Oc1cccc(-c2ccc(-c3cccc(O)c3)cc2)c1,0,0,0,0
O=C1C2CCCNC2C(Nc2ccc(Br)cc2)N1Cc1cccs1,0,0,0,0
CC(C)(C)CN1CCC(Oc2cccc(C(=O)N3CCNC(=O)C3(C)C)c2)CC1,0,0,0,0
CCn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1,0,0,0,0
CS(=O)(=O)NC1CCN(c2cc(-c3ccc(C(F)(F)F)cn3)c(Cl)cn2)CC1,0,0,0,0
O=c1cn[nH]c(NCc2ccccc2)n1,0,0,0,0
COc1ccc(C2=C(N)c3ccccc3C2=O)cc1,0,1,0,0
COC(=O)c1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOc1ccc2nc(N3CCC(C(=O)N4CCN(c5ccccn5)CC4)CC3)sc2c1,1,1,0,0
Nc1ncnc(N2CCC(c3nc(-c4cccc(F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
O=C(O)c1ccc(N2CCN(c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1,0,0,0,0
CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(OC)cc4)oc3c2)[C@H]1C,0,0,0,0
CN1CCCC1c1ccc(-c2nc3c(C(N)=O)cccc3[nH]2)cc1,0,0,0,0
O=C(Nc1cnc2ccccc2c1)N1CCCCC1,0,1,0,0
Cn1c(=O)c2[nH]c(-c3ccc(S(C)(=O)=O)cc3)c(O)c2n(C)c1=O,0,0,0,0
COc1ccc(-c2c(C)nn3c(N4CCN(c5ccccc5)CC4)cc(C)nc23)cc1OC,0,0,0,0
CCCCCCOc1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12,0,0,0,0
CCCC1(C(=O)OC)NC(c2ccc(OC)c(OC)c2)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,0,0,0,0
O=C(CCl)Nc1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
CC1CN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC(C)O1,1,0,0,0
S=C(NCCCc1cnc[nH]1)NCCCN(Cc1ccc(Cl)cc1)c1ccc(Br)cc1,0,0,0,0
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O,0,0,0,0
Cc1nc(N=C(N)N)nc2c(C)cccc12,0,0,0,0
CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
CCN(c1ccc(Cl)cc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1,0,0,0,0
OC(COC(c1ccccc1)c1ccccc1)CN1CCN(c2cccc(Cl)c2)CC1,0,0,0,0
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccnc4C(F)(F)F)C[C@@H]32)n1,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4ncc(Br)c4C)cc[nH]c3=O)nc12,0,0,0,0
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c12,0,0,0,0
COc1ccc(NC(=O)CSc2c3c(nc4cc(Cl)ccc24)CCCC3)cc1OC,1,0,0,0
O=c1nc(SCc2cccc([N+](=O)[O-])c2)[nH]c2nc[nH]c12,0,0,0,0
Cc1cc(=O)cc(C)n1-c1ccccc1N,0,0,0,0
Cc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)c(C)c1NS(C)(=O)=O,0,0,0,0
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(C)c(F)c1,0,0,0,0
CCNC(=O)C(C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4)nc3)C2)cc1,0,0,0,0
O=C(CSc1nnc(-c2cc3ccccc3cc2O)n1Cc1ccco1)N1CCc2ccccc2C1,1,0,0,0
CCS(=O)(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0,0,0,0
O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1,0,0,0,0
CS(=O)(=O)Nc1cc([C@@H](O)CNC2CCN(c3ccc(C(=O)N4CCC[C@H]4C(=O)O)cc3)CC2)ccc1O,0,0,0,0
Cc1ccc(C)n1-n1c(C)nc2sc3c(c2c1=O)CCCCC3,0,0,0,0
O=c1cc(C(F)(F)F)c2cc(N(Cc3cccs3)CC(F)(F)F)ccc2[nH]1,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccc(Br)cc12,0,0,1,0
CC(C)Nc1nc(-c2cnn(CCN3CCOCC3)c2)cc2ncn(C)c(=O)c12,0,0,0,0
CCOC(=O)N1CCN(C(=O)CN(C)S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)CC1,0,0,0,0
Cc1ccc(NC(=O)Nc2cccc(C)n2)cc1,0,1,0,0
CCOc1cccc(N2CC3CN(C(=O)c4ccccc4-n4nccn4)CC3C2)n1,0,0,0,0
COc1ccc(CCN2CC(C(=O)NCc3cccc4[nH]ccc34)CCC2=O)cc1,1,0,0,0
CCc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1,0,1,0,0
Cc1nc(N)nc(-c2cccnc2Nc2cnc(Cl)c(NS(=O)(=O)N3CCOCC3)c2)n1,0,0,0,0
Cc1ccc(NC(=S)N/N=C/c2c(C)[nH]c3ccccc23)cc1,0,1,0,0
CN1C(N)=N[C@](C)(c2sc(-c3ccnc(-c4cncnc4)c3)cc2F)CS1(=O)=O,0,0,0,0
Cc1ccc(-n2ncc(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,0,0,0,0
COc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1,0,0,0,0
O=C(C=CNc1nccs1)C(F)(F)Cl,0,0,0,0
N#CCCN1CCCc2cc(N=Nc3ccc(C(F)(F)F)cc3)ccc21,0,1,0,0
C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2n(Cc2ccc(C)cc2)c1=O,1,0,0,0
CC(C)Nc1nc(N)c(C(=O)c2cccnc2)s1,0,0,0,0
COc1ccc(CCn2ccc(O)c(Cc3ccc(Cl)cc3Cl)c2=O)cc1OC,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1ccccc1,0,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(OC)c3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
CCOC(=O)CSc1nc(=O)n2ccc(C)cc2n1,0,0,0,0
CC1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1,0,0,0,0
c1ccc(Oc2cccc3c2CCC2CNCCN32)cc1,0,0,0,0
CN1CCC(Nc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cn2)CC1,0,0,0,0
Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2oc3ccccc3c2n1.Cl,0,0,0,0
CC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccncc1)N2,1,1,0,0
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CN(S(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,0,0,0,0
CCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCc1ccco1,0,0,0,0
O=C(c1ccccc1)N1CCN(C(=O)c2ccc3c(c2)OCCO3)CC1,0,0,0,0
O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl,0,0,0,0
CC(C)(OOC(C)(C)c1ccccc1)c1ccccc1,0,0,0,0
CC(C)(C)c1ccc(-c2nnc(SCC(=O)NC3CC3)o2)cc1,0,1,0,0
COCC(=O)Nc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
COc1ccc(-c2[nH]c3ccccc3c2SCCN)cc1,0,0,0,0
O=C(COc1ccc2ccccc2c1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,1,0,0,0
Cc1ccc(-c2ccc(/C=C/[C@H]3[C@@H]4CCCC[C@H]4C[C@H]4C(=O)O[C@H](C)[C@@H]34)nc2)cc1,0,0,0,0
COc1cccc(C=C2Sc3ccc(C(=O)NCc4cccnc4)cc3N(C)C2=O)c1,1,0,0,0
O=C(C1CCN(c2nnc(-n3cccc3)s2)CC1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
Cc1nc2cc3c(cc2[nH]1)C1CNCC3C1,0,0,0,0
CC(=O)OC1CC2C(C)(C)C(O)C=CC2(C)C2CCC3(C)C(=CC(=O)OC3c3ccoc3)C12C,1,0,0,0
COc1cccc(CNc2cc(C)nc3nc(-c4ccc(C)cc4)nn23)c1,0,1,0,0
CN(CCCCCCC(=O)NO)C(=O)c1ccc(N(c2ccccc2)c2ccccn2)cc1,0,0,0,0
CCOc1cc2[nH]c(=S)n(CCc3ccc(OC)c(OC)c3)c(=O)c2cc1OCC,1,0,0,0
CCOc1cccc2c1-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,0,0,0,0
CC(C)(C)OC(=O)N1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,0,0,0,0
COc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1,0,0,0,0
Cc1ccccc1N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0,0,0
Cc1cccc2nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c(=O)c12,0,0,0,0
S=C(NCCc1ccccc1)NC1CC2CCC(C1)N2Cc1ccccc1,0,0,0,0
O=C(CCCCCC(=O)Nc1nnc(-c2ccncc2)s1)NO,0,0,0,0
CCCCc1nn2c(C)c(-c3ccc(OCC)cc3)nc2s1,0,0,0,0
S=C(N/N=C/c1ccc2ncccc2c1)Nc1cccnc1,0,1,0,0
CCOc1cc2[nH]c(=S)n(CCOC)c(=O)c2cc1OCC,0,0,0,0
CN1C(=O)/C(=C\c2ccc(OCc3ccc(C4CCCCC4)cc3)cc2)SC1=Nc1ccc(CC(=O)O)cc1,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)C(C)N(S(C)(=O)=O)CC2,0,0,0,0
O=C(O)CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,0,0,0,0
Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2,1,0,0,0
O=C(Nc1nc2ccccc2c(=O)s1)c1ccco1,0,1,0,0
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O,0,0,0,0
O=C(NO)c1ccc(-c2ccc(CNCCc3ccccc3Cl)cn2)s1,0,0,0,0
O=C(O)c1cccc(NCc2ccncc2)c1,0,0,0,0
Cc1ccc(C)n2nc(CCc3nc(-c4cccnc4)cn3C)nc12,0,0,0,0
C[C@]12CCC(=O)C=C1[C@@H](OCc1ccccc1)C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
CCOc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)c(Cl)c1,0,0,0,0
Nc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CCC2)NCC3)cn1,0,0,0,0
O=C(c1nsc(Cl)c1Cl)N1CCCCC1,0,0,0,0
COC(=O)N1C(=O)C(c2ccsc2)(C(C)C)N1C(=O)OC,0,0,0,0
Cc1ccc(S(=O)(=O)CCc2nc3ccccc3s2)cc1C,0,0,0,0
CCN(CC)c1ccc(NC(=O)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1OC,1,0,0,0
COc1ccc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1ccc(C(C)C)cc1,0,1,0,0
O=C(O[C@H]1CN[C@H](C#Cc2cc3ncnc(Nc4ccc5c(cnn5S(=O)(=O)c5cccc(F)c5)c4)c3s2)C1)N1CCOCC1,0,0,0,0
O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1cccc(Br)c1,1,0,0,0
CNC(=O)COC(=O)NCCC1CCN(c2cccc(C)n2)CC1,0,0,0,0
O=C(Oc1cccc(NC(=O)c2cccs2)c1)c1cccc(S(=O)(=O)N2CCCC2)c1,1,0,0,0
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(=O)(=O)C(F)(F)F)c2)ccc1Cl,0,0,0,0
CCC1(CC)C(=O)Nc2ccccc21,0,0,0,0
O=C1NN(c2ccccc2)C(=O)/C1=C\c1ccccc1OCC(=O)N1CCOCC1,0,0,0,0
CC(=O)C1=C(c2c(-c3cc4ccccc4s3)n(CCCSC(=N)N)c3ccccc23)C(=O)NC1=O,0,0,0,1
Cc1[nH]n(-c2ccccc2)c(=S)c1C=Nc1cccc([N+](=O)[O-])c1,0,0,0,1
CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(C)n3)c2)CC1,1,0,0,0
Cc1cc2c(cc1-c1cc(CCC(=O)O)ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C,0,0,0,0
CCCCn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C,0,0,0,0
CCOc1cccc(-c2nnc3sc(-c4cc(OC)c(OC)c(OC)c4)nn23)c1,0,0,0,0
CCOC(=O)Cc1csc(NC(NC(=O)OCC)(C(F)(F)F)C(F)(F)F)n1,0,0,0,0
CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
COc1ccc(COc2ccc3ccc(=O)oc3c2)cc1,0,1,0,0
CCOC(=O)c1ccc(-n2c(-c3ccc(C)cc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)cc1,0,0,0,0
O=C(c1ccc(F)cc1)N1CCC(O)(c2cccnc2)CC1,0,0,0,0
Cc1ccccc1-c1cccc(CN2CCN(C)C(CCO)C2)c1,0,0,0,0
COc1ccc(-c2cc(C(=O)NCCCN3CCCC3=O)c3ccccc3n2)cc1,1,1,0,0
C=CCC1(O)C(=O)N2C(=C1C(=O)OCC)c1ccc3ccccc3c1CC2(C)C,0,0,0,0
CCCSc1cc(NCCOC(C)=O)c([N+](=O)[O-])c2nonc12,0,0,0,0
CCc1cccc(C)c1NC(=S)NCc1ccc2[nH]c(C)cc2c1,1,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1ccc(C(F)(F)F)cc1Cl,0,0,0,0
CNC(=S)NNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O,0,0,0,0
C=CCOc1c(Br)cc(C=C2C(=O)ON=C2C)cc1OC,0,0,0,0
O=C1CN(c2ccc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)nn2)CCN1,0,0,0,0
O=C(Nc1ccccc1Oc1cccnc1)C1CCCN(CC=Cc2ccccc2)C1,1,0,0,0
OCCOCC1CN(C(=S)SSC(=S)N2CCCOC(COCCO)C2)CCCO1,0,0,1,0
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C1Cc2ccccc2CN1C(=O)c1ccco1,1,0,0,0
Cc1ccc(S(=O)(=O)N(C)/N=C/C=C/c2ccccc2)cc1,0,0,0,0
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NCCCc1ccccc1,1,0,0,0
CNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(CC(C)(C)O)S1)c1ccc(F)cc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)nc3C#N)C2)cc1,0,0,0,0
O=C(NN1CCOCC1)c1cc(-c2cccc(Cl)c2)nc2ccccc12,1,0,0,0
CCCCN(Cc1cc(Cl)c(O)c(OC)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
Cc1cc(NC(CC(C)C)c2ccc(C(=O)NCCC(=O)O)cc2)nc2ccccc12,0,0,0,0
OCCCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CC(C)[C@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC1=O,0,0,0,0
O=C(c1ccco1)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O,0,0,0,0
Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3ccccc3)c3cc4c(cc3c2=O)OCO4)cc1,1,0,0,0
COc1ccc(OC)c(-c2nc3c(C)n[nH]c(=O)c3[nH]2)c1,0,0,0,0
O=C(c1cc(COc2c(F)cccc2F)on1)N1CCc2ccccc2C1,0,0,0,0
Cn1cc(Nc2ncc(Br)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)cn1,0,0,0,1
Oc1ccc(C(c2cc3c(cc2O)OCO3)N2CCNCC2)cc1,0,0,1,0
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2n1,0,0,0,0
Nc1ncnc2n[nH]c(-c3ccc4c(c3)OCO4)c12,0,0,0,0
CC(C)(C)c1ccc(C=CC(=O)NC2=NCCS2)cc1,1,0,0,0
N#C[C@@H]1C[C@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)cc2)n1,0,0,0,0
CC[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CC(=O)O1,0,0,0,0
S=C(c1ccc(Br)cc1)N1CCCC1,0,0,0,0
CCc1cnc(Nc2ccc3oc(CCN4CCC[C@H]4C)cc3c2)nc1,0,0,0,0
N#Cc1ccc(C(c2ccc(O)c(Cl)c2)n2cncn2)cc1,0,0,0,0
Cc1nc(-c2c(F)cccc2-c2cnc([C@@H](C)NC(=O)N(C)O)c(F)c2)no1,0,0,0,0
O=c1c2sc3nc(N4CCOCC4)c4c(c3c2nnn1Cc1ccccc1)CCCC4,0,0,0,0
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(C2CCN(C3CC(CO)(CO)C3)CC2)c1,0,0,0,0
O=C(CCN1C(=O)COc2ccccc21)NCCN1CCN(c2ccccc2F)CC1,1,0,0,0
CCC1(C)CC2(CCCN(CCC(O)(c3ccccc3)c3ccccc3)C2)CCO1,1,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5nn(C)cc5c4)n3n2)cn1,0,0,0,0
O=C(CN1CCCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1,0,1,0,0
O=S(=O)(Cc1ccccc1Cl)Nc1ccc2c(ccn2Cc2ccccc2)c1,0,0,0,0
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(C)cc2)C1c1ccncc1,0,0,0,0
CCOCCCn1c(SCC(=O)OCC)nc2c(sc3ccccc32)c1=O,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H]4CCCO4)ncc3F)C2)cc1,0,0,0,0
CC(C)(C)NC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccc(OCC)cc1,0,0,0,0
CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1cc(Br)c(O)c(OC)c1,1,0,0,0
COc1ccc(O)c(CNc2ccccc2F)c1,0,0,0,0
Cc1noc(NS(=O)(=O)c2cccc(O)c2-c2ccc(CC(C)C)cc2)c1C,0,0,0,0
O=C(Nc1nccs1)c1ccc(N2C(=O)C3CCCCC3C2=O)cc1,0,1,0,0
CCOc1cc(CNc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1,0,0,0,0
FC(F)(F)Oc1ccc(CNc2nc(NCC3CC3)cc(-c3ccccn3)n2)cc1,0,0,0,0
O=C(c1ccc(NCCN2CCCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,0,0,0,0
Cc1ccc(-c2nc(SCc3ccc(Br)cc3)n3[nH]c(=O)cc3n2)cc1,0,0,0,0
O=C(N[C@H]1CCCN2c3cc(Cl)c(Cl)cc3Oc3ccccc3[C@H]12)C(F)(F)F,0,0,0,0
Cc1cc(Br)cc2c1N(Cc1ccccc1OC(C)C)C(=O)C2=O,0,0,0,0
COc1cc(-c2ccc3ncc(C(C)=O)c(N4CCC(CN5CCCC5)CC4)c3c2)cc(Cl)c1O,0,0,0,0
Nc1nnc(-c2cnc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ncccc65)CC4)cc3)c(-c3ccccc3)c2)s1,0,0,0,0
O=C(NC1=NCCS1)c1csc2ccccc12,1,0,0,0
COc1ccc(Cn2c(-c3ccc(C)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1,0,0,0,0
COc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O,0,0,0,0
CCc1ccc(NC(=O)C2=CC(c3ccc(OC)c(OC)c3)=NS(=O)(=O)N2C)cc1,1,0,0,0
CCOC(=O)C1(CC2CC2)CCN(Cc2cn[nH]c2-c2ccccc2)CC1,0,0,0,0
CC(C)N1CCC(N2CCN(CCCc3ccccc3)CC2CCO)CC1,0,0,0,0
CC(=O)c1ccccc1NS(=O)(=O)c1cc2c(cc1C)NC(=O)CO2,0,0,0,0
COc1ccc(C2=NN(c3nc(-c4ccccc4)c(CC(=O)O)s3)C(c3ccco3)C2)cc1,1,0,0,0
NC(=O)c1nn(-c2ccc(OC(F)(F)F)cc2)c2c1CCc1[nH]ncc1-2,0,0,0,0
COn1c(-c2ccc(C)cc2)c(C=O)c2cc(C#N)c(C#N)cc21,0,0,0,0
COC(=O)c1ccc(COC(=O)c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2)o1,1,0,0,0
COc1cccc(Cl)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl,0,0,0,0
COc1ccc(-c2cc(C(=O)NN)n(-c3ccccc3)n2)cc1,0,0,0,0
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccc(Cl)cc3n2)cc1,0,0,1,0
COc1ccccc1CNc1nc(-c2cccnc2)nc2ccccc12,0,0,0,0
CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(O)c2c1,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC(F)F)cc3)c12,0,0,0,0
COc1ccc(C=CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)nc(C)n1,1,0,0,0
NC(=CS(=O)(=O)c1ccccn1)NOC(=O)c1ccccc1Cl,0,0,0,0
CNC(=O)CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
Nc1ncnc2nc[nH]c12,0,0,0,0
COc1ccc(-c2cc(=O)[nH]c(=S)n2CCO)c(OC)c1,0,0,1,0
NC(=O)c1cnc2cc(-c3ccc(Br)cc3)ccc2c1Nc1ccccc1,0,0,0,0
N#Cc1cnc2c(Cl)cc(NCc3cn(-c4ccccc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1,0,0,0,0
Fc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1,0,0,0,0
C[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)c3c2CCC3)CCN1c1ncc(C(C)(C)O)c(C(F)(F)F)n1,0,0,0,0
COc1ccc(CNC(=O)C2CCN(C(=O)C(CC(C)C)NC(=O)OC(C)(C)C)CC2)cc1,1,0,0,0
Cc1cc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)ccc1F,0,0,0,0
CC1CCN(CC(C)OC(=O)c2ccco2)CC1,0,0,0,0
COc1ccc(N(C)S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccccn23)cc1,0,0,0,0
Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2nccs2)n1-c1ccccc1,1,0,0,0
COc1ccc(-c2cc(=O)[nH]c(=S)[nH]2)cc1,0,0,0,0
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,0,0,0,0
CC1Cc2cc(-c3csc(N)n3)ccc2O1,0,1,0,0
CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C)(C(=O)OC)c1ccccc1,0,0,0,0
COc1ccc(C2NC(=O)C(C#N)C(=S)N2c2ccccc2)cc1OC,0,0,0,0
CC(C)(C)n1nnnc1C(c1cccnc1)N1CCN(c2ccccn2)CC1,0,0,0,0
NNC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1,0,0,0,0
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCC1CN2CCOCC2CO1,0,0,0,1
Cc1cccc(C(C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1,0,0,0,0
CCC(CC)C(=O)Nc1sc2c(c1C#N)CCC(C(C)(C)CC)C2,0,0,0,0
CN(C)C(=O)OCC1CN(C(=S)SSC(=S)N2CCCOC(COC(=O)N(C)C)C2)CCCO1,0,0,1,0
CCn1c(-c2cccc(Cl)c2)n[nH]c1=S,0,0,0,0
CCOc1ccc(CC(=O)Nc2cccc(-c3ccc4nnc(C)n4n3)c2)cc1,1,0,0,0
C=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(C(C)=O)C(C)C5)cc4)nc32)c1,0,0,0,0
O=C(O)c1cc(NCc2ccccc2C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1Nc1ccccc1,1,0,0,0
Cc1ccsc1C(=O)C1CCCN(Cc2cn(C)nc2-c2ccccc2)C1,1,0,0,0
Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c1,0,1,0,0
CCCS(=O)(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
Cc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
O=C(COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21)NCCc1ccccc1,1,0,0,0
CC[C@@H]1C(c2ccc3nc(-c4ccccc4)oc3c2)=NNC(=O)[C@H]1C,0,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(c3cc(Cl)cc(Cl)c3)CCc3ccccc32)cc1,0,0,0,0
CCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)cc1OC,0,0,0,0
Cc1nn(-c2cc(Cl)cc(Br)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
COc1cccc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1OC,0,0,0,0
CC1=C/C(=N\S(=O)(=O)c2ccccc2)C(C(C)C)=CC1=O,0,0,0,0
CCn1nc(-c2ccc(S(N)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F,0,0,0,0
N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)OC(=S)N3)c1,0,0,0,0
Cc1nnc2ncc3c(n12)CN([C@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3,0,0,0,0
COc1ccc(C2(C(N)=O)CCCCC2)cc1OC,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)N5CCOCC5)cc4)cc23)c1F,0,0,0,0
Cc1ccc(C(=O)NCCO)cc1-n1cnc(SCc2ccc(F)cc2F)c(Cl)c1=O,0,0,0,0
COc1ccc(C2=NNC(c3ccco3)=Nc3ccc(F)cc32)cc1,0,0,0,0
CCN(Cc1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
c1ccc(-c2csc(N3CCCCCC3)n2)cc1,0,1,0,0
CCOC(=O)N1CCN(C(=O)c2c(-c3ccccc3)noc2C)CC1,0,0,0,0
CCCCN(C(C)=O)c1c(N)n(CCC)c(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c1=O,1,0,0,0
Cc1ccc(C)c(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4c3c3ccccc3n4C)CC2)c1,0,0,0,0
CCOC(=O)C(=CNc1ccccc1N1CCOCC1)C(=O)OCC,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)c(F)c3F)c12,0,0,0,0
Cn1cc(-c2cc(CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1cc(OCc2cccc(-c3cnc(OC)nc3OC)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccs1,0,1,0,0
NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CCF)cc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1,0,0,0,0
CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C,1,0,0,0
CC(C)CC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccccc21,0,0,0,0
CC1CC(=O)NN=C1c1ccc(N(C)C)c([N+](=O)[O-])c1,0,0,0,0
COC(=O)CN1C(=O)C2C(C3CC3)N3C(=O)CN(CCO)C(=O)C3(Cc3ccccc3)C2C1=O,0,0,0,0
COC(=O)c1cc(Nc2cc(C)nc3ncnn23)cc(C(=O)OC)c1,0,0,0,0
O=C1CN(S(=O)(=O)c2cccc(Cl)c2Cl)c2ccccc2N1,0,0,0,0
CCOc1ccc2nc(NC3=NCN(Cc4ccco4)CN3)nc(C)c2c1,0,0,0,0
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(Cl)cc1Cl,1,0,0,0
CC1c2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CCN1C(=O)C(F)F,0,0,0,0
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1Cl,0,0,0,0
N#Cc1cc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)ccn1,0,0,0,0
CCOC(=O)C1(Cc2ccccc2)CCCN(CCO)C1,0,0,0,0
O=c1[nH]c(=O)n(-c2cccc(Cl)c2)c(O)c1/C=N/c1ccccn1,0,0,0,0
Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1,1,0,0,0
COC(=O)c1cc2ccsc2n1CC(=O)Nc1cc(C)cc(C)c1,1,0,0,0
Cc1nc2c(C(F)(F)F)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,0,0,0,0
CN(C)C(=O)CCc1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN(C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccc(C2CC(O)(c3ccccc3)Oc3c(C)ccc(C)c32)cc1,0,0,0,0
CCOC(=O)C1(C)NC(c2ccc(OC)cc2OC)C2C(=O)N(c3cccc(OC)c3)C(=O)C21,0,0,0,0
Oc1cccc(C(O)CNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1,0,0,0,0
Nc1nonc1-c1noc(CCCCCN2C(=O)c3ccccc3C2=O)n1,0,0,0,0
O=C(/C=C/c1ccc(CNCCc2c(-c3cccs3)[nH]c3ccccc23)cc1)NO,0,0,0,0
C=CC(=O)Nc1cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)ccc1C,0,0,1,0
O=C(c1ccc(OC2CCN(CC=Cc3ccc(F)cc3)CC2)cc1)N1CCCC1,1,0,0,0
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(C[C@H](O)[C@H](O)[C@H](O)COP(=O)(O)OP(=O)(O)OC[C@H]3O[C@@H](n4cnc5c(N)ncnc54)[C@H](O)[C@@H]3O)c2cc1C,0,0,0,0
CCOC(=O)CSc1nc(CC)nc2ccccc12,0,0,0,0
COC(=O)c1c(C)[nH]c(O)c1C=Nc1ccc(C(C)C)cc1,0,1,0,0
Cc1nc2c(s1)-c1nc(Nc3cccc([N+](=O)[O-])c3)ncc1CC2,0,0,0,1
CS(=O)(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
CCCC(=O)Nc1nc(C(=O)OCC)cs1,0,0,0,0
Cc1ccc(Cl)cc1-n1c(=O)c2sc3ccccc3c2n(Cc2ccccc2)c1=O,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CCN(C(=O)c1ccno1)C2,0,0,0,0
CCOC(=O)Cn1c(=N)n(CCOc2ccc3ccccc3c2)c2ccccc21,1,0,0,0
CNCCN1CCCC(Cc2ccccc2)C1,0,0,0,0
CCOC(=O)c1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,0,0,0,0
COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F,0,0,0,0
COc1ccc(CNCCC(c2ccc3c(c2)OCO3)c2ccccc2OC)cc1,0,0,0,0
CC(O)c1nc2ccccc2n1CCCCOc1ccccc1,1,0,0,0
CCOC(=O)CC1C(=O)NCCN1C(=O)c1cc2c(=O)n3ccccc3nc2s1,0,0,0,0
COCCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2ccccc2c1=O,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCC(O)CN1CCN(c2ncccn2)CC1,0,0,0,0
OC(c1ccncc1)(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
COc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1,0,0,0,0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0,0,0,0
Cc1cc(Nc2nn(Cc3ccncc3)c(=O)c3ccccc23)n[nH]1,0,0,0,0
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)OCO3)[C@@H](C(=O)O)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,0,0,0,0
COc1ccc(Nc2nc3cc4c(=O)cc(-c5ccc(C(=O)N[C@@H](CC(C)C)C(N)=O)cc5)oc4cc3n2[C@H](C)C2CCCCC2)cc1,0,0,0,0
CC(C)(O)C[C@]1(c2ccccc2)CCN([C@H]2CCCN(c3ccc4ncnn4c3)C2)C(=O)O1,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O,0,0,0,0
O=C(O)CSCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
Nc1c(N2CCOCC2)cc(Cl)c2nonc12,0,0,0,0
Cc1ccc(OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c([N+](=O)[O-])n1,1,0,0,0
c1ccc(CC2CCN(c3ncnc4sccc34)CC2)cc1,0,0,0,0
Cc1cc(OCC(=O)O)c(C)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F,0,0,0,0
O=C1c2oc3ccc(Br)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,0,0,0,0
Cl.Nc1nc(Nc2ccccc2)nc2ccccc12,0,1,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cc(Cl)ccc4Cl)cn3)[C@H]12,0,0,0,0
CCc1cccc(C)c1Nc1c(-c2ccc(N(C)C)cc2)nc2cnccn12,0,0,0,0
COc1ccc(-n2nc(C#N)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,0,0,0,0
O=C(OCC1CCCO1)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O,0,0,0,0
O=C(CCNC(=O)c1ccccc1)Oc1ccc([N+](=O)[O-])cc1,1,0,0,0
CCCC1(CCc2ccccc2)CC(=O)C(C(CC)c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cn3)c2)C(=O)O1,0,0,0,0
Nc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1N=Nc1ccc(S(N)(=O)=O)cc1,0,1,0,0
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccccc1,0,0,0,0
CC[C@]1(c2ccc(F)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
c1ccc(CN2CCC(N3CCN(Cc4ccc5c(c4)OCO5)CC3)CC2)cc1,0,0,0,0
CCCCCN(C(=O)CCC)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
COc1cc2c(cc1N1C[C@@H](C)N[C@@H](C)C1)N(C(=O)c1ccc(-c3ccc(-c4noc(C)n4)cc3C)cc1)CC2,0,0,0,0
Cn1ccnc1CC1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1,0,0,0,0
Nc1nnc(Cc2ccc(Cl)cc2)s1,0,0,0,0
CCCCCn1c(=O)[nH]c2c(c1=O)CCC2,0,0,0,0
CCOC(=O)C(CC)(CCC(=O)O)c1csc(N)n1,0,0,0,0
CN1c2ccc(-c3cncc(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O,0,0,0,0
CN(C)CCCNc1nc2cc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)sc2c(=O)n1C,0,0,0,0
COCCn1c(=O)c(-c2cccc(C#N)c2)nc2cnc(OC)nc21,0,0,0,0
COc1ccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(C)cc23)cc1OC,1,0,0,0
C=C1c2cccc(OC)c2OC(C(=O)OCC)C1CC(CC)CCCC,1,0,0,0
CC(C)CCNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
Cc1ccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1,0,1,0,0
FC1(F)CCN(c2cc(-c3n[nH]c4ccc(-c5ccsc5)cc34)ncn2)CC1,0,0,0,0
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4C)cc3)coc2c1,1,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCC(N)=O)cc1,0,0,0,0
O=[N+]([O-])c1cc(Cl)ccc1Sc1cccc2cccnc12,0,0,0,0
COc1cc(C)nc(-n2nc(C)cc2OC)n1,0,0,0,0
C#CCOc1ccccc1CNc1ccccc1,0,0,0,0
CCC(C)Nc1cc(-c2ccc3ncsc3c2)nc(C)n1,0,0,0,0
CCc1nc(SCC(=O)NNC(=O)C(C)C)c2ccccc2n1,1,0,0,0
COc1cc(-c2noc(C)c2C(=O)NCCO)cc(OC)c1OC,0,0,0,0
Cc1ccc(N/C(=N/P(=O)(N2CCOCC2)N2CCOCC2)N2CCOCC2)cc1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(F)c(Cl)c2)CC1,0,0,0,0
Cc1ccnc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)c1,0,1,0,0
CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cc1ccc(S(=O)(=O)Oc2ccccc2/C=N/Nc2ccc(C(=O)O)cc2)cc1,0,1,0,0
COc1cccc(CNc2cccc(C(F)(F)F)c2)c1O,0,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5cccc(Cl)c5)CC4)ccc3c2=O)cc1,0,0,0,0
Cc1ccc2nc(N=C(N)N)nc(C)c2c1,1,0,0,0
CN(CCC#N)c1ccc(/C=C(\C#N)c2ccccn2)cc1,0,1,0,0
Cc1nn(-c2ccccc2)c(OC(=O)C(C)C)c1Sc1ccc(Cl)cc1,0,1,0,0
Cc1nc2n(n1)C(=O)C(C(c1ccco1)N1CCN(c3cccc(Cl)c3)CC1)S2,1,0,0,0
Cc1nc2cc(F)ccc2n1C1CCN(Cc2nnnn2CCc2ccccc2)CC1,1,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C)CC1,0,0,0,0
COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
Cc1ncn(CC(=O)NCC(F)(F)F)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
Cc1nc([N+](=O)[O-])cn1CC(O)c1ccc(F)cc1,0,0,0,0
Nc1nc2sc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1,0,0,0,0
COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3cccc(Cl)c3)n2)c1,1,0,0,0
CCOc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1,0,0,0,0
CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,1,0,0,0
CNc1nc2[nH]c(-c3cccc(C#N)c3)cc2c2c1ncn2C,0,0,0,0
COc1ccc(Nc2nc(NCc3ccco3)nc(N/N=C/c3ccc(O)cc3)n2)cc1,0,1,0,0
Cc1cc(C)nc(SCc2nnc(SCC(=O)O)n2-c2ccccc2)n1,0,0,0,0
Nc1cc(N2CCCC2)c(Cl)cc1[N+](=O)[O-],0,0,0,0
CCOc1ccccc1-c1nc(-c2ccc(NC(=O)Cc3ccccc3OC)cc2)no1,1,0,0,0
COc1cc2c(cc1OC)-c1c3c(cc4c1C(C2)N(C)CC4)OCO3,0,0,0,0
O=C(COC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)Nc1cccc2ccccc12,1,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(Cl)c3)cn2CCN2CCC2)CC1,0,0,0,0
COCCCOc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1,0,0,0,0
Cc1nc2c(N)ncnc2n1[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O,0,0,0,0
COCc1cc(C)nc2sc(C(=O)Nc3ccccc3Br)c(N)c12,0,1,0,0
Cc1ccc2ccc[n+](Cc3ccccc3)c2c1,0,0,0,0
CCN(CC)CCOC(=O)C(O)(c1cccs1)C1CCCCC1,0,0,0,0
Cc1ccc(C(=O)Nc2ncc([N+](=O)[O-])s2)cc1,0,1,0,0
O=c1c2c(O)cc(O)c(I)c2ncn1-c1ccc(O)cc1,0,0,0,0
COC(=O)c1ccc(C2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2c2cc(C)on2)cc1,1,0,0,0
CCOc1ccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCCC2)cc1,0,0,0,0
Cc1cccc(CNc2nc(-c3ccoc3)nc3ccccc23)c1,1,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4c(C)c(C)ccc43)CC2)ccc1C,0,0,0,0
CCOc1ccc(-c2cc(NC(=O)c3c(F)cccc3F)c(C(=O)O)s2)cc1,0,1,0,0
CN(C)c1nc(Nn2cnnc2)nc(N(C)C)n1,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccccc5Cl)nc(N)n4)c3c2)cn1,0,0,0,0
COc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1,0,0,0,0
CCn1cnc2c1c(=O)n(Cc1cccc([N+](=O)[O-])c1)c(=O)n2Cc1ccccc1,0,0,0,0
Cc1cccc(NS(=O)(=O)c2ccc(C(=O)N3CCC3)cc2)c1C,0,0,0,0
Nc1nnc2cc(F)ccc2n1,0,0,0,0
O=C(O)COCC1(c2ccccc2)CCN(C(=O)OC2C3CC4CC(C3)CC2C4)CC1,0,0,0,0
CCCCCN(C(=O)CCCC)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCC(CO[N+](=O)[O-])CC2)C(=O)N1,0,0,0,0
CCCCOc1nc2ccccc2c(=O)n1-c1ccccc1,0,0,0,0
Cc1nnc(SCc2cccc3ccccc23)n(N)c1=O,0,0,0,0
CC1=NOC(=O)/C1=C/c1ccc(N(C)C)cc1,0,1,0,0
Cc1cc2c(c(C)nn2-c2ccccc2)c(=O)o1,0,0,0,0
CCOc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,0,0,0,0
COc1ccccc1C(=O)NC(=O)Nc1cccc(Cl)c1,0,1,0,0
CC(=O)N(Nc1ccccc1)c1ccccc1,0,0,0,0
CCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3F)o2)CC1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CC4)cc3C)C2)cc1,0,0,0,0
C=CC(=O)N1CC(Cn2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1,0,0,1,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(C(F)(F)F)c2)C3)c1C,0,0,1,0
Cc1ccc(-n2nnnc2SCC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cc1,1,0,0,0
O=C(O)c1ccccc1-c1csc(-c2ccccc2)n1,0,1,0,0
COc1ccc(C(=S)N2CCCC2)cc1OC,0,0,0,0
COc1ccc(C(=O)O)cc1Nc1cc(C)nc2ncnn12,0,0,0,0
COc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)c1,1,0,0,0
CC(C)(O)C=CCC(C)(O)C1C(O)CC2(C)C3CCC4C(C)(C)C(=O)CCC4(C)C3CCC12C,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)C(C)(C)C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
O=c1c(=Cc2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12,0,0,0,0
CS(=O)(=O)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(CNS(=O)(=O)c5ccccc5)cc4)c3)nn2CCCN2CCOCC2)C1,0,0,0,0
O=[N+]([O-])c1ccc(C[n+]2cccc3ccccc32)cc1,0,0,0,0
Cc1nc(Nc2ccc(C(=O)O)cc2)sc1-c1ccccc1,0,1,0,0
CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(OCC)cc3)nc3ccccc23)C1,0,1,0,0
CN1CCN(Cc2ccc3ccccc3c2)CC1,0,0,0,0
CC(=O)N1CC(C)c2scc(C)[n+]2-c2ccccc21,0,0,0,0
COc1cccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)OC3O)CCC2)c1,0,0,0,0
CCCc1nc(NCc2ccccc2)c(C#N)c2c1CCCC2,0,0,0,0
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)CN1C(=O)C2CCCCC2C1=O,1,0,0,0
O=C1NCCN(Cc2cccc(Oc3ccccc3)c2)C1CC(=O)N1CCCCC1,1,0,0,0
CN(C)c1ccc2cc3ccc(N(C)C)cc3[o+]c2c1,0,0,0,0
CC(=O)Nc1ccc(Nc2c(CCC(C)C)c(C)c(C#N)c3nc4ccccc4n23)cc1,0,0,0,0
COc1ccc(-c2cnc(N3CC(N)C(c4ccc(Cl)cc4Cl)C3)nc2)cc1,0,0,0,0
CC(=O)OCC1OC(OC2CC3C(C)(C)C(OC(C)=O)CCC3(C)C3CCC45CC4(CCC5C(C)CC(O)C(O)C(C)(C)O)C23C)C(O)C(O)C1O,1,0,0,0
COc1cc2ncc3c(N)nc4c(C)cccc4c3c2cc1OC,0,0,0,0
COc1ccccc1-n1nc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
COc1ccc(C=O)cc1Cn1c(C)cc(C)c(C#N)c1=O,0,0,0,0
CC12CCC(C(=O)NCCCN3CCOCC3)(C(Br)C1=O)C2(C)C,0,0,0,0
CC(C)OCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
Cc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn12,0,0,0,0
CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4)CC3)c1)c1ccccc1O2,1,0,0,0
COc1nn2cc(-c3nc4ccccc4o3)nc2s1,0,0,0,0
Cc1cccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)n1,1,0,0,0
O=C1Nc2ccc(F)c(F)c2C(CC(F)F)(c2ccc(F)cc2)N1CC(F)(F)F,0,0,0,0
Cc1cc(C)nc(Nc2n[nH]c(-c3cccc4ccccc34)n2)n1,0,1,0,0
CC1CN=C(Nc2ccccc2)S1,0,0,0,0
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1,0,0,0,0
CCCc1nccc2nc3[nH]c(=O)sc3cc12,0,0,0,0
C=C(C)C1CC=C(C=O)CC1,0,0,1,0
O=C(CCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(C(=O)O)c(O)c1,0,1,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)O)c1ccc2c(c1)OCO2,0,0,0,0
N#Cc1c2n(c3c(-c4ccccc4)ncnc13)CCC2,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3F)C2)nc(C)c1Cl,0,0,0,0
CNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0,0,0
NC(=O)CSc1nc(N)c2c3c(sc2n1)CCCCC3,0,1,0,0
COc1ccccc1C(=O)Nc1onc2c1CCCC2,0,1,0,0
C(#Cc1ccccc1)C[N+]1(CC#Cc2cccc3ccccc23)CCOCC1,1,0,0,0
Cc1c(-c2ccccc2)c2c(n1Cc1ccccc1)[C@@H]1Oc3c(O)ccc4c3[C@@]13CCN(CC1CC1)C(C4)[C@]3(O)C2,0,0,0,0
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(F)c23)c1,0,0,0,0
CN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2ccccc2)cc1,0,0,0,0
Cc1cccc(N(Cc2ccccc2)C(=O)c2ccc(S(C)(=O)=O)cc2)c1,1,0,0,0
O=C(c1cc2ccccc2o1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCOc1ccc(C(=S)N2CCCC2)cc1,0,0,0,0
Cc1ccc(C(=O)/C=C/c2cn(CC(O)CN3CCCCCC3)c3ccccc23)cc1,1,0,0,0
COc1cc2c(cc1CN1CCN(C)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,0,0,0,0
O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1C[C@@H]2C(CNS(=O)(=O)C(F)(F)F)[C@@H]2C1,0,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3ccc(F)c(OC)c3)CC2)c1,0,0,0,0
Cc1cccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1,0,0,0,0
CCc1cc(-c2n[nH]c(=S)n2-c2ccccc2C)cs1,0,0,0,0
Fc1ccc(F)c(C2=NN=C(Nc3ccccc3F)SC2)c1,1,0,0,0
C=CCn1c(SCC(=O)/C(C#N)=C(\C)N)nc2sc(CC)cc2c1=O,0,0,0,0
Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(N3CCOCC3)cc2n(C)c1=O,1,0,0,0
Clc1ccc(Cl)c(NC2=NCC(CBr)S2)c1,0,0,0,0
CC(C)n1cnc2c(NCc3ccccc3)cc(N[C@H](C)CO)cc21,0,0,0,0
Cc1ccc(F)c(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(-c3cnc([C@]4(O)CC[C@@H](C(=O)O)C(C)(C)C4)s3)c2)c1,0,0,0,0
Cc1nc(Nc2nc(=O)c3ccccc3n2C)nc2c(C)cccc12,0,0,0,0
O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)C1CCCO1,0,1,0,0
O=c1[nH]nc(-c2ccnc(NC3CCCC3)c2)n1-c1ccc2ccccc2c1,0,0,0,0
O=C1N(Cc2ccccc2-c2ccco2)CCCC12CCN(c1cnc3ccccc3n1)CC2,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(C)C(=O)Nc3ccc(C(C)C)cc3)CC2)cc1,1,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(OC)cc2)nc2cc(Cl)ccc12,0,0,1,0
CCCCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)O,0,0,0,0
c1cc(-c2noc(CC3CCCCC3)n2)ccn1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1ccccc1CN1CCN(S(C)(=O)=O)CC1,0,0,0,0
CCC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21,0,0,0,0
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(F)cc23)cc1,0,0,0,0
CCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O,0,0,0,0
CC(C)NC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
COc1ccc(Cl)c(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)C(=O)NCC2,0,0,0,0
C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(N)=O)cn1c23,0,0,0,0
COC(=O)C(Nc1nccs1)(OC)C(F)(F)F,0,0,0,0
CCS(=O)(=O)N1CCN=C1SC(C)c1ccccc1,0,0,0,0
COc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1,0,0,0,0
CC1(C)C[C@H](Nc2nccc(N[C@@H]3C[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]3O)n2)c2ccccc21,0,0,0,0
Cc1ccc(N2C(=O)CC(Cc3cccc(C)c3)C2=O)cc1,0,0,0,0
CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1NC1CCC(N(C)C)CC1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)CC(C)(C)C)c1,0,0,0,0
O=[N+]([O-])c1ccccc1NC(=S)N/N=C/c1ccc(O)c(O)c1,1,1,0,0
Cc1cc(N2CC3CCN(C(=O)c4ccccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,0,0,0,0
CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3c(C)nc4c(Cl)cccc43)c2)c1,0,0,0,0
CCN(C)CC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
CCCCN(C(C)=O)c1ncc(C(O)(C(F)(F)F)C(F)(F)F)s1,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCc2ccccn2)c1,1,0,0,0
CCCN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(CC(F)(F)F)c2)c1)C(F)(F)F,0,0,0,0
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cccc(O)c1,0,0,0,0
CN1CCc2ccc(NC(=O)c3cccc(CNC(=O)c4ccc5c(c4)CCC(=O)N5)c3)cc2C1,0,0,0,0
COc1cc(C2CCNCC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
NC(=O)N(O)CCC#Cc1ccc(OCCN2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1,0,0,0,0
O=c1c2ccccc2ncn1-c1ccccc1C(F)(F)F,0,0,0,0
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,1,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)n(C)c4cc(Cl)ccc43)CC2)ccc1C,0,0,0,0
CCCCc1ccc(N2C(=O)[C@@H]3C(CC(N)=O)NC4(C(=O)Nc5ccc(F)cc54)[C@@H]3C2=O)cc1,0,0,0,0
CC(C)(C)C1(c2ccccc2)c2cc(F)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
COC(=O)C(C)(C)NC(=O)c1ccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)cc1,0,0,0,0
O=C(Nc1cccc(Oc2ccc(C(=O)O)c(C(=O)O)c2)c1)c1ccc(-c2ccccc2)cc1,0,1,0,0
O=c1[nH]c(Cc2cc(C(F)(F)F)ccc2-n2cccn2)nc2c1cnn2C1CCOCC1,0,0,0,0
Cc1cc2c(=O)n(NC(N)=O)c(C)nc2s1,0,0,0,0
CC(=O)Nc1ncc([N+](=O)[O-])s1,0,0,0,0
Cc1c(/N=C2\SCC(=O)N2N=Cc2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1,0,1,0,0
Cc1ccccc1C(=O)NN1CC(C(=O)OCc2ccc(Cl)c(Cl)c2)CC1=O,1,0,0,0
COc1ccc(Nc2nnc(SCC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)s2)cc1,0,1,0,0
COC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
CN(C)CCNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O,1,0,0,0
O=C1Cc2c(n3c4c(cccc24)CC3)-c2ncccc2N1,0,0,0,0
CCOC(=O)c1sc2ncn(C(C)C(=O)OCC)c(=O)c2c1C,0,0,0,0
CC(=O)N(C)Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCC(C)CC4)C3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCCN(Cc1cc(Cl)cc(Cl)c1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
Cc1cccc(NC(=S)NN=Cc2cccc(O)c2)c1C,0,0,0,0
CCCCNC(=S)NNC(=O)c1csc2c1CCC(C)C2,0,0,0,0
CC(C)(C)c1ccc(OCCON2C(=O)CCC2=O)c(Cl)c1,1,1,0,0
CC(COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O)CC(C)(C)C,0,0,0,0
CNc1ncc2ncnc(Nc3cccc(C)c3)c2n1,0,0,0,0
O=C(Nc1cccc(C(F)(F)F)c1)OCCN1CCN(Cc2ccccc2)CCC1=O,1,0,0,0
O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2ccc(Cl)cc2)C1,0,0,0,0
CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)C(O)CC4(COC(=O)C1O)C2(C)C31CO1,0,0,0,0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC(C)=O)c2)n1C1CCOCC1,0,0,0,0
C=CC(=O)N(C)c1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccccc4)cc3)nn21,0,0,1,0
CC[C@@]12C[C@@H](O)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12,0,0,0,0
COc1ccc(-c2cn3c(C)c(C(=O)Nc4cccc(C)n4)sc3n2)cc1,1,1,0,0
Cc1nc2ccc(-n3cnc4cnc5cnc(-c6ccccc6)cc5c43)cc2s1,0,0,0,0
CCOC(=O)c1sc(NC(=O)c2ccc3ncsc3c2)nc1C,0,1,0,0
CCCNC(=O)c1ccc(C)c(Nc2nncc3c2cnn3-c2ccc(F)cc2F)c1,0,0,0,0
COc1ccc2c(c1)C(N=O)C(=O)N2,0,0,0,0
Cc1c(C2NS(=O)(=O)c3ccccc32)c2cc(F)ccc2n1CC(=O)O,0,0,0,0
CC(C)(C)Nc1nc(Oc2ccc(=O)[nH]n2)nc(N2CCOCC2)n1,0,0,0,0
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Br)ccc4F)cc3)ccc12,0,0,0,0
COc1ccc(C2OC(=O)CC2C(=O)NC2CCCCCC2)cc1OC,0,0,0,0
Clc1cccc(Cn2cnnc2-c2ccc3nc[nH]c3c2)c1Cl,0,0,0,0
COc1ccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)cc1F,0,0,0,0
O=C(COc1ccc(Br)cc1Br)NC(=O)NC1CCCC1,0,1,0,0
CC(C)CCn1c(SCC#N)nc2c(sc3ccccc32)c1=O,0,0,0,0
Cc1cccc(NC(=S)N/N=C/C(C)c2ccccc2)c1C,0,0,0,0
COc1ccccc1C(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)NCCN(C)C)c(=O)c23)CC1,0,0,0,0
CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C(F)(F)F)c(=O)c2=O)c1O,0,0,0,0
CSc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1,0,0,0,0
COc1ccccc1N1CCN(Cn2nc(-c3ccccc3)c3c(C)onc3c2=O)CC1,0,0,0,0
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2cc(F)c(Cl)cc21,0,0,0,0
O=C(Oc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2[C@H](C1)[C@H]2c1ccn(-c2ccc(F)cc2)n1,0,0,1,0
COc1ccccc1OCCc1nnc(N)s1,0,0,0,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)O,0,0,0,0
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OC(C)C)cc2)o1,0,0,0,0
O=C(NCCO)c1nc(NCCO)c2ccccc2n1,0,0,0,0
CC(=O)c1ccc(NC(=S)NC(C)CCc2ccccc2)cc1,0,0,0,0
O=C1CSc2ccc(S(=O)(=O)NCc3ccc(Cl)cc3)cc2N1,0,0,0,0
O=C(NC(Cc1ccccc1)C(=O)N1CCC2(CC1)NCCc1nc[nH]c12)c1cccc(Br)c1,1,0,0,0
Cc1cc(C)c(NC(=O)/C(=C/c2ccco2)c2ccccc2)c(C)c1,1,0,0,0
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nc(C(F)F)cc3ccccc13)c(=O)n2C,0,0,0,0
CCc1ccc(CN(C)C(=O)c2cc(COc3cc(C)c(Cl)c(C)c3)on2)nc1,1,0,0,0
Cc1nc(S(=O)(=O)N(C)c2ccccc2)c(C#N)c(C)c1Cl,0,0,0,0
Cc1c(OCc2ccc(CSc3ccncc3)cc2)ccc(C(=O)CC(C)C)c1O,0,0,0,0
COc1ccc(CCNC(=O)c2ccc3c(c2)N=C(C)c2ccccc2S3)cc1OC,1,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(OC(F)(F)F)c2)c1)C(F)(F)F,0,0,0,0
O=c1cc(-c2ccc(C3CCCCC3)cc2)[nH][nH]1,1,1,0,0
COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)c(=O)n(C)c(=O)n3C)cc1OC,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCCC3C(=O)NCc3ccccc3)CC2)cc1,1,0,0,0
COc1ccc(O)c(-c2c(-c3ccc(Cl)cc3)n[nH]c2C)c1,0,0,0,0
C=CC(=O)N1CCN(c2nnc(-c3ccccc3OC)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1,0,0,1,0
OCCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
Nc1nnc(Cc2ccccc2)s1,0,0,0,0
O=C1CN(S(=O)(=O)c2ccc(Br)cc2)c2ccccc2N1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)CC1,1,0,0,0
C[C@@H]1c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,0,0,0,0
c1ccc(CNC2=NN=C(c3cc4ccccc4o3)CS2)cc1,1,0,0,0
O=c1oc2ccccc2c(N2CCC(c3ccccc3)CC2)c1[N+](=O)[O-],0,0,0,0
CS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)c1,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1cc(F)ccc1F,0,0,0,0
CCCCNCc1cccc(COCC(O)CN2CCc3ccccc3C2)c1,0,0,0,0
COC(=O)c1cccc(C(=O)N2CCCC(C(=O)c3cc(F)ccc3F)C2)c1,0,0,0,0
Cc1nc(NCc2nnc(C3CC3)s2)cc(OC[C@@H]2C[C@H]2c2ccccn2)n1,0,0,0,0
CNc1nc(-c2cccs2)cc(C(F)(F)F)c1C#N,0,0,0,0
O=C1c2cc(COc3ccccn3)nn2CCN1c1ccc(F)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](NC(=O)[C@H](N)CCCN=C(N)N)CSSC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC1=O,0,0,0,0
O=C(c1ccc(COc2ccccc2)cc1Cl)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12,0,0,0,0
Cc1ccc(CCNc2ccccc2C)cn1,0,0,0,0
CCC(=O)Nn1c(C2CCC2)nc2ccccc2c1=O,1,0,0,0
Nn1c(SCc2ccc(F)cc2)nnc1-c1cccnc1,0,0,0,0
CCOc1cc(C=O)ccc1OCCSc1ccc(Cl)cc1,0,0,0,0
CN1CCN2c3c(cccc31)[C@@H]1CN(CC3CC(c4ccc(F)cc4)=NO3)CC[C@@H]12,0,0,0,0
CCc1c(C)n2nc(C)cc2[nH]c1=O,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(F)(F)F)cc2Cl)cc1,0,0,0,0
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(Cl)cc21,0,0,0,0
CCC(Oc1ccc(Cl)cc1)C(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
C=CCSc1nc2sc(C)c(C)c2c(=O)n1CC=C,0,0,0,0
CS(=O)(=O)N1N=C(c2cccs2)CC1c1ccc(Cl)o1,0,0,0,0
COc1nc(N=C(N)N)nc2ccc(C)cc12,0,0,0,0
Cc1ccc2c(CN3CCOCC3)cc(=O)oc2c1C,0,0,0,0
N#Cc1cccc(Cn2cc(C(F)(F)F)ccc2=O)c1,0,0,0,0
COc1ccccc1C1CCN(c2nc(N[C@H]3CCCNC3)c(-c3ccc4ccccc4n3)c(=O)[nH]2)CC1,0,0,0,0
Cc1nonc1C1CCCN1Cc1nc(-c2ccccc2Cl)oc1C,0,0,0,0
COC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(OC)cc3)c(O)c2n(CCC)c1=O,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4sc5c(c4c(=O)[nH]3)CCCC5)CC2)cc1,0,0,0,0
Cc1cc(Nc2cccc(F)c2)n2ncnc2n1,0,0,0,0
O=[N+]([O-])c1ccc(-c2csc(NN=C3CCCC3)n2)cc1,0,0,0,0
Cc1cc(OCc2nc(-c3cncnc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc(NC2=NCC(C)S2)c1,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2F)c2ccccc2F)CC1,0,0,0,0
CCCNC(=O)Cn1cnc2sc(C(=O)NCCN(CC)CC)c(C)c2c1=O,0,0,0,0
COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,1,0,0,0
C=CCn1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2scc(-c3ccccc3)c2c1=O,1,0,0,0
CCc1c(C)[nH]c(N2CCN(c3ccccc3)CC2)nc1=O,0,0,0,0
CCCCN1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](CCO)C1,0,0,0,0
Cc1ccc(C(C2Sc3ncnn3C2=O)N2CCCCC2)cc1,1,0,0,0
Cc1cc(C)n(-c2nnc(C)n2N=Cc2cc(Br)ccc2OCc2ccccc2)n1,1,0,0,0
CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3F)c(Cl)cn2)CC1,0,0,0,0
COc1ccc2c(c1)[C@H]1[C@H](CO2)[C@H](c2ccccc2)[C@]2(C)C(=O)Nc3ccc(C)cc3C(=O)N12,0,0,0,0
O=c1oc(-c2cccs2)nc2sc3c(c12)CCCCC3,0,1,0,0
Brc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1,0,0,0,0
CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,0,0,0,1
CC1=NOC(=O)C1=Cc1ccc(-c2cccc(Cl)c2)o1,1,0,0,0
C(=NNC1=Nc2cccc3cccc1c23)c1ccccc1,1,0,0,0
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C(C)C)no3)cc2F)CC1,0,0,0,0
CC(=O)Nc1ccc(OCCOC(=O)c2ccccc2OC(C)=O)cc1,0,0,0,0
O=C1NC(=O)N(C2CCN(C(=O)C3CCCCC3)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1,0,0,0,0
Cc1ccccc1NC1(C#N)CCCCC1,0,0,0,0
Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)cn1,0,0,0,0
O=c1[nH]nnc2ccccc12,0,0,0,0
CCN(CC#CCC1(O)c2ccccc2-c2ccccc21)CCO,0,0,0,0
COC(=O)c1cc(NC(=O)C2CC(=O)N=C(NCc3ccc(OC)cc3)S2)cc(C(=O)OC)c1,0,0,0,0
COc1ccc(CNS(=O)(=O)c2ccc3c(c2)N(C)CCO3)cc1,0,0,0,0
O=C(O)c1ccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)cc1,0,0,0,0
CCCC(=O)C1C(=O)NC(=O)NC1=O,0,0,0,0
CC(C)C(=O)Nc1onc(-c2ccccc2)c1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
O=C1CCOc2nc(C#Cc3ccccc3)ccc21,0,0,0,0
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1CCCOC(C)C,1,0,0,1
COc1ccc(NS(C)(=O)=O)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1,0,0,0,0
O=C(Oc1ccc([N+](=O)[O-])cc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1,0,0,0,0
NC(=O)C(=NOC(=O)c1ccco1)c1nc(-c2ccc(Br)cc2)cs1,0,0,0,1
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(N(C)C)cc1,0,0,0,0
O=C(Nc1ccc2c(c1)CCC2)c1ccccc1Br,0,1,0,0
CC1=NOC(=O)C1=Cc1ccccc1,0,0,0,0
CC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
N#C/C(=C/c1cccc(-c2ncnc3[nH]ccc23)c1)C(N)=O,0,0,1,0
CCCCOc1ccc(C2CC(=O)NC2=O)cc1,0,0,0,0
COC(=O)c1c(Cl)cc(Cl)cc1-c1cnc([C@@H](C)NC(=O)[C@@](C)(O)C(F)(F)F)c(F)c1,0,0,0,0
NC(=O)c1cnc2cc(-c3ccccc3)ccc2c1Nc1ccccc1,0,0,0,0
CN(C)/C=N/c1ncc(C(=O)OC(C)(C)C)s1,0,0,0,0
CCOC1OC(C(=O)NCc2ccccc2)=CC(c2ccc(Br)cc2)C1CCCO,1,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(Cc2cnccn2)CC1,0,0,0,0
CCCc1sc(N)nc1C(=O)OCP(=O)(O)O,0,0,0,0
COc1ccc(-c2ccc(=O)n(CC(=O)NC3CCc4ccccc43)n2)cc1OC,1,0,0,0
NCCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3,0,0,0,0
CC1(C)CC(=O)C=C(N=CC2=C(O)CC(C)(C)CC2=O)C1,0,0,0,0
C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1OC,0,0,0,0
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CN(C)CC3)ncc1Cl,0,0,0,0
CCOc1cc(CNC2CCCC2)ccc1OCc1ccccc1Cl,0,0,0,0
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1ccccc1Br,1,0,0,0
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc(Br)cc1C(=O)O,0,0,0,1
CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCN(C)C3,0,0,0,0
CCCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,0,0,0,0
Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)cc1,1,0,0,0
CC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1ccc(Br)cc1F,0,0,0,0
COc1c(Cl)cc(Cl)cc1CNCCSc1nnnn1C,0,0,0,0
CCc1ncnc(N2CCC(O)CC2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(F)cc2)c1,0,0,0,0
O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc(Br)cc3)CC2)c1,0,0,0,0
NCc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
CSCCNC(=O)Nc1c(-c2c(Cl)cccc2Cl)noc1C,0,0,0,0
C=CCNC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,1,0,0,0
O=C1c2ccccc2NC(c2ccc(F)cc2)N1Cc1ccccc1,0,0,0,0
Nc1nc(-c2ccccc2)cc(-c2ccccc2O)n1,0,0,0,0
CN(C)CCN(C)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
COc1cccc(CN2CCN(Cc3ccccc3C(F)(F)F)CC2)c1,0,0,0,0
Cc1ccc(O)c(CNc2cnc3ccccc3c2)c1,0,0,0,0
COC(=O)c1c(N=CN(C)C)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2,1,0,0,0
COc1ccc(N2CCC(CNC(=S)Nc3c(C)cc(C)cc3C)C2)cc1,0,0,0,0
Clc1ccc(Sc2oc(C3CCOCC3)nc2-c2cnc3[nH]ccc3c2)cc1,0,0,0,0
CC(C)[C@@H]1C[C@H](Nc2nc(N3CCC(c4cncnc4)CC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@@H](O)[C@H]1O,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2cccc(F)c2)c2cc(F)cc(F)c2)CC1,0,0,0,0
Brc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1,0,0,0,0
O=C(O)C=CC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1,0,0,0,0
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4F)c(F)c3)cc12,0,0,0,0
COc1ccc(CNc2ccccc2)cc1Br,0,0,0,0
Cc1ccnc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)c1,0,0,0,0
COc1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1,0,0,0,0
COc1cc(OCc2cccc(-c3ccc(C(C)OC4CCCCO4)cn3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1ccc(Br)cc1,0,0,0,0
Cc1cc(Nc2ccccc2F)n2ncnc2n1,0,0,0,0
CCn1cc(/C=N\NC(=O)c2c[nH]c3ccccc23)c(C)n1,0,1,0,0
S=c1[nH]c(-c2ccccc2)cn1N=Cc1cccc2ccccc12,0,0,0,0
COc1cc(CN(C)[C@@H](C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCCCCCCCC(=O)NO)C(=O)O)cc3)nc2c(=O)[nH]1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)cn2C2CC3C2)C1=O,0,0,0,0
c1ccc(Oc2ccccc2Cn2ccnc2)cc1,0,0,0,0
CN(C)C(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
NS(=O)(=O)c1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1,0,0,0,0
CC(=O)c1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCCC4)nn3)c2)cc1,0,1,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N[C@H]1CCN(C(=O)CC(F)(F)F)C1,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cccc(OC)n2)cc1,0,0,0,0
Cn1cnc([N+](=O)[O-])c1Sc1nnc(N)[nH]1,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)[C@@H](C)c2ccc(Cl)cc2)ccc1OCCN1C(=O)CSC1=O,0,0,0,0
O=C(N/N=C/C1CC=CCC1)c1ccccc1O,0,1,0,0
CCNc1nc2cc(OC)c(Cl)cc2nc1-c1cc2ccccc2s1,0,0,0,0
Cn1c2cc(CCCCN3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0,0,0,0
O=C1CC(C(=O)Nc2ccc(O)c(C(=O)O)c2)C(c2ccccc2)O1,0,0,0,0
O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2F)C1,0,0,0,0
CCCCc1c(-c2ccc(Cl)cc2)ncn1CCc1ccccc1OC,0,0,0,0
COc1ccc(Sc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1OC,0,0,0,0
COc1ccc(CN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1F,0,0,0,0
CC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1ccccc1Br,0,0,0,0
O=C(c1ccc(Oc2nccnc2N2CCOCC2)cc1)c1nc2ccccc2[nH]1,0,0,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CN(C)CC3)ncc1Cl,0,0,0,0
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccc(Cl)cc1Cl,0,0,0,0
COC(=O)c1ccc(-c2cc(C3=C(CN4C(=O)O[C@H](c5cc(C(F)(F)F)cc(C(F)(F)F)c5)[C@@H]4C)CC(C)(C)CC3)c(OC)cc2F)c(C)c1,0,0,0,0
COc1ccc(Oc2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,0,0,0,0
COc1cc2nncc(-c3cnc(N4CCC(O)(c5cccnc5)CC4)c(Cl)c3)c2cc1OC,0,0,0,0
CCC(C)C(=O)Nc1ncc2c(n1)CC(c1cccs1)CC2=O,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)CC(C)(C)C)c1,1,0,0,0
CCOC(=O)CSc1nc(C)c(C(=O)OCC)s1,0,0,0,0
Cc1nn(C)c(=O)n1-c1ccc(OCc2ccccc2)cc1,0,0,0,0
CCOC(=O)N1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1,0,0,0,0
CC(CN1CCCC1)OC(=O)c1ccc(Br)cc1,0,0,0,0
COC(=O)c1sccc1NC(=S)Nc1cc(OC)ccc1OC,0,0,0,0
COC(=O)CC(=O)CSc1nc2cc(C(=O)NCC(C)C)ccc2c(=O)n1CCc1ccccc1,0,0,0,0
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4occc4c3=O)Cc3ccc(C)nc3C)ccc21,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccccc2Cl)CC1,0,0,0,0
COc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1OC,0,0,0,0
Cc1cnc(N(C)C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
c1ccc(N2CCN(c3ccccc3)C2c2cccnc2)cc1,0,0,0,0
CC(CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](O)[C@H]2O)C[C@@H](C)Cc1ccccc1,0,0,0,0
CCC(=O)N1c2ccc(S(=O)(=O)CCC(=O)NCCC3=CCCCC3)cc2CC1C,1,0,0,0
CN(C)Cc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
COc1ccc(-c2ccc(S(=O)(=O)CCOc3ccc4ccccc4c3C(=O)NO)cc2)cc1,0,0,0,0
CC(=O)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0,0,0
CC(C)COC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
FC(F)(F)c1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1,0,0,0,0
CC(C)C(Nc1nc(=NC2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1cccs1,0,0,0,0
COCCN(C)[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
COc1cc(C=O)ccc1OCCSc1ccc(Cl)cc1,0,0,0,0
CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN4C(C)CCCC4C)CC3)s2)cc1,1,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1[C@H]2CC[C@@H]1c1nnc(-c3cnccn3)n1C2,0,0,0,0
Cc1cc2c(cc1S(=O)(=O)CCC(=O)NC1CCC(C)CC1)OCC(=O)N2,0,0,0,0
COc1cc(Cl)c2c(c1)C1(CCCCC1)NC(=O)N2,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N,0,0,1,0
CN(C)C/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3cc(-c4ccc(-c5ccccc5)cc4)ncn3)c2)cc1,0,0,1,0
Cn1nc(C(C)(C)C)cc1C(=O)N(CC(=O)NC1(C#N)CC1)Cc1ccccc1,0,0,1,0
CCOc1cccc(-c2ncc(C)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)c1,0,0,0,0
CCN(c1ccccc1)c1cc(C)nc2nc(C)nn12,0,0,0,0
CCc1cccc2c1NC(=O)C2N=O,0,0,0,0
COc1cc(C(O)C(CO)Oc2ccc(CCCOC3OC(C)C(O)C(O)C3O)cc2OC)ccc1O,0,0,1,0
FC(F)(F)c1ccc(-c2csc(C3(c4ccc(Cl)cc4Cl)CC3)n2)cc1,0,0,0,0
CCOc1ccc(O[C@@H]2CCN(c3ncnc4cc(OC)c(OC)cc34)C2)cc1,0,0,0,0
COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1ccc(Nc2cc(OC)c(OC)c(OC)c2)cc1,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccccc5)nc(N)n4)c3c2)cn1,0,0,0,0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCC(=O)O)n1,0,0,0,0
COCCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1,1,0,0,0
Nc1cc(N2CCN(C(CN3CCCC3)c3ccc(F)cc3)CC2)ncn1,0,0,0,0
O=C(O[C@H]1C[N+]2(CCCc3ccccc3)CCC1CC2)N(Cc1ccccc1)c1ccccc1,0,0,0,0
CCCc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)OCC)no1,1,0,0,0
Cc1cc(C)nc(N2CC3CCN(C(=O)c4ccccc4-c4ncccn4)CC32)n1,0,0,0,0
COc1cccc(CN(Cc2ccc(C(=O)O)cc2)C(=O)c2ccc(Oc3ccccc3F)cc2)c1,0,0,0,0
COCCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1,0,0,0,0
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl,1,0,0,0
CCCCN(CCCC)CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1,0,0,0,0
CC1=C(C(=O)OCC2CCCO2)C(c2ccc(C)o2)C2=C(CC(c3ccc(N(C)C)cc3)CC2=O)N1,1,0,0,0
CCCCc1nc2c(N)nc3ccccc3c2n1Cc1ccc(CNC(=S)Nc2cccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c2C(=O)O)cc1,0,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)NCCCCCNC(=O)[C@@H](C)S,0,0,0,0
O=C1CCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2ccc3ccccc3c2)CN1,0,0,0,0
COC1(C)c2ccccc2-c2ccc(C(=O)NC(=N)N)cc21,0,0,0,0
CC(C)Sc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(Cl)cc2)c1)C(F)(F)F,0,0,0,0
Cc1c(N2CCCC2)cccc1N1CCN(Cc2ccc(F)cc2Cl)C(=O)C1=O,0,0,0,0
COc1ccc(CCN2C(=O)C(Oc3ccccc3C)C2c2ccc3c(c2)OCO3)cc1OC,1,0,0,0
NC(=O)c1c(SCc2ccc(Cl)cc2)nsc1Nc1ccncc1,0,0,0,0
CC(=O)C1=NN(c2ccccc2)C(c2ccc3c(c2)OCO3)N1c1ccccc1,1,0,0,0
N#Cc1c(N)oc(-c2ccco2)c1-c1ccco1,0,0,0,1
CCn1cc(C(=O)NCc2ccc(Cl)cc2)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,1,0,0,0
Cc1cc(C)c2oc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)cc(=O)c2c1,1,0,0,0
O=C(O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1,0,0,0,0
COCC1CCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)C1,1,0,0,0
O=C(O)c1ccc(COc2ccc3c4c(c(=O)oc3c2)CCC4)o1,0,0,0,1
COc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O,0,0,0,0
COc1ccc(/C(C)=N\Nc2nc(=O)cc(-c3ccccc3)[nH]2)cc1,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H](Cc1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(F)cccc21,0,0,1,0
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3c4ccc(c3o2)CCc2ccc(cc2)CC4)CC1,0,0,0,1
COC1CC(CN2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccnc(F)c4)n3)CC2)C1,0,0,0,0
CCCC1(C)SC(=NC2C(C)(C)C2(C)C)NC1=O,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(CC)(c1cc(F)cc(F)c1)O2,0,0,0,0
Cc1ccc(C=Nn2c(C3CCCCC3)n[nH]c2=S)o1,0,0,0,0
COc1cc(C)nc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1,0,0,0,0
CCOc1ccc(Cc2ccc(OC)c([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1,0,0,0,0
Cc1nc2nc(SCC(=O)O)nn2c(C)c1Cc1ccccc1Cl,0,0,0,0
NCCCC[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
COC1=CC(=Cc2c(C)[nH]n(-c3ccc(C(=O)O)cc3)c2=O)C=C(OC)C1=O,0,0,0,0
Oc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)cc1,0,0,0,0
CCC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21,0,0,0,0
CCN1CCN(c2ccc3c(Nc4cc(CCc5c(Cl)c(OC)cc(OC)c5Cl)[nH]n4)ncnc3c2)CC1,0,0,0,0
O=C(NO)[C@@H](CCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(-c2ccccc2C(F)(F)F)cc1,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1C(=O)OC)C2c1ccc(OC)cc1,1,0,0,0
CCOc1ccc(/C=N/NC(=O)Cc2cccs2)cc1,0,1,0,0
O=c1[nH]c(=O)n(CCc2ccccc2)c(O)c1C=NCc1ccc2c(c1)OCO2,0,0,0,0
Cc1cccc(NC(=S)NN=CC(C)c2ccccc2)c1C,0,0,0,0
COc1ccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c(O)c1,0,0,0,0
CC(C)(C)c1ccc(OCc2ccc(C(=O)N/N=C/c3ccc(O)c(O)c3)cc2)cc1,1,0,0,0
COc1cccc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)n1,0,0,0,0
Fc1ccc(-c2csc(NN=C3CCCC3)n2)c(F)c1,0,0,0,0
CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCCCC3)c(=O)c2c1,1,0,0,0
CCc1cc(-c2ccccc2)cc(CC)[n+]1Cc1ccc(S(N)(=O)=O)cc1,0,0,0,0
CC(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1CCN(C)CC1,0,0,0,0
COc1ccc2nc(C)c3c(C)nc(Cc4ccccc4)n3c2n1,0,0,0,0
O=[N+]([O-])c1ccc(SCCCCCCO)c2nonc12,0,0,0,0
O=P(Oc1ccccc1)(N1CCOCC1)N1CCOCC1,0,0,0,0
Cc1cc(-c2cnn(CC(C)(C)C(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1c(C(=O)N2CCCCC2)nn(-c2ccc(Cl)cc2)c(=O)c1C#N,0,0,0,0
COc1cc2c(cc1OC)-c1c(-c3cscn3)ncn1CC2,0,0,0,0
NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,0,0,0,0
C=CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1,0,0,1,0
CC1CCN(C(=O)CCCOc2cc(=O)n(C)c3ccccc23)CC1,1,0,0,0
CC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccc(Cl)cc2)c2ccccc21)C(C)C,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
c1ccc2c(c1)CC(Nc1nc(Nc3ccncc3)nc(N3CCCNCC3)n1)C2,0,0,0,0
CCOC(=O)C(C)Oc1c(Br)cc(C2NC(=O)NC(C)=C2C(C)=O)cc1OCC,0,0,0,0
CCOC(=O)/C=C/[C@@H]1CCC(=O)N(C)CCCC[C@H](NC(=O)c2cc(C)on2)C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N1,0,0,1,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(C(F)(F)F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
COc1cc(C=NNC(=O)CN2CC(c3ccccc3)CC2=O)ccc1OC(=O)N(C)C,1,0,0,0
CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc21,1,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5ccncn5)CC4)ncn3)c2c1,0,0,0,0
COc1ccc(NC(C)(C)c2nnnn2-c2c(C)cccc2C)cc1,0,0,0,0
Cc1cc(-c2cc(-c3ccccc3)[nH]c(=O)n2)ccc1O,0,0,0,1
Cc1cccc(C)c1NC(S)=NN1CCN(C)CC1,1,0,0,0
COc1ccc(Cl)cc1NC(=O)c1ccc(CN2C(=O)CCn3nc(C)cc32)cc1,1,0,0,0
CCN(CC)c1ccc(CN(Cc2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
Oc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,0,0,0,0
Cc1c(Cc2ccncc2)nnc(Nc2ccc(Cl)cc2)c1C,0,0,0,0
C#CCOc1noc2c1CNCCC2,0,0,0,0
CN(N)c1nc(C(F)(F)F)nc2ccccc12,0,0,0,0
O=C(/C=C/c1cccs1)Nc1cccc(NC(=O)/C=C/c2cccs2)n1,0,1,0,0
CNc1c(Br)cnc2nc(-c3ccnc(N)c3)[nH]c12,0,0,0,0
Nc1nc(N)c(-c2ccc(NCc3ccc(Cl)cc3)cc2)c(COCc2ccccc2)n1,0,0,0,0
Cc1cccc2c1O[P@@](=O)(OC[C@@H](CO)OCn1cnc3c(O)nc(N)nc31)OC2,0,0,1,0
COC(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1,0,0,0,0
O=C(CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)CCc1ccccc1)NCCCO,0,0,0,0
Cn1cc(-c2ccc(-c3[nH]c4ccncc4c(=O)c3C#N)cc2)cn1,0,0,0,0
CCOC(=O)C(C)(C)c1ccc2c(c1)c([C@H](C)CO)c(-c1cc(C)cc(C)c1)n2C(=O)OC(C)(C)C,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(F)c(OC)c1,0,0,0,0
CC(C)(CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)CNC(=O)c1ccc([N+](=O)[O-])c(Cl)c1,1,0,0,0
O=c1cccc2n1CC1CC2CN(c2ncnc3c2cnn3-c2ccccc2)C1,0,0,0,0
CCSc1ccccc1C(=O)N1CCCC1,0,0,0,0
CCN1CCCC(OC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)C1,1,0,0,0
Cc1cccc2cc(C#N)c(NCc3ccccc3)nc12,0,0,0,0
CC(=O)N1CN2CN(C(C)=O)CC(C(=O)c3ccccc3)(C2)C1,0,0,0,0
Cc1cc(=O)oc2cc(OC(C(=O)O)c3ccccc3)ccc12,0,0,0,0
CN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1,0,0,0,0
Cc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1,0,1,0,0
Oc1ccc(Cl)cc1CN1CCN(Cc2ccccc2)CC1,0,0,0,0
CCC(C)(C)NC(=O)C(c1cccc(OC)c1OC)N(Cc1ccc(OC)cc1)C(=O)CCC(=O)Nc1cc(C)on1,1,0,0,0
N#C[C@H]1C[C@@H](C(=O)NCC(F)(F)F)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1,0,0,0,0
O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccc2F)c1O,0,0,1,0
O=C1CCC(OCc2ccccc2)CCN1C(CSc1ccccc1)Cc1ccccc1,1,0,0,0
Cc1ncc(C#N)c(Nc2ccc3[nH]ccc3c2C)c1/C=C/c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,0,0,0
C=CCOCCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(CCOCC=C)C(=O)C2C31,1,0,0,0
COCCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N,0,0,1,0
CCc1cc2c3c(c(=O)oc2cc1OC(C)C(=O)O)CCCC3,0,0,0,0
CNC(=O)Cc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
COc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2N)cc1,0,1,0,0
CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4cn(C)c5ccccc45)cc3c2C1,0,0,0,0
FC(F)(F)c1cnc(COc2ccc(Cl)cc2Cl)c(Cl)c1,0,0,0,0
Cc1ccn(-c2ccc(N3CCOCC3)cc2)c(=O)c1-c1ccc2nc(N)ncc2c1,0,0,0,0
O=C1OCC(c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1,0,0,0,0
CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1S(C)(=O)=O,0,0,0,0
Cc1cc2c(c(Oc3cccc(N(C)S(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O,0,0,0,0
CC(C)Nc1cc(Nc2ncc(C#N)cc2Cl)ncc1C(=O)NC[C@@H](F)C(C)(C)O,0,0,0,0
Cc1nc(OCC(C)(C)C(=O)O)ccc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)cc1,0,0,0,0
CCCCOc1cccc(C2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCOC)c1,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](C)NC1,0,0,0,0
FC(F)(F)c1ccccc1CN1CCN(Cc2ccccc2)CC1,0,0,0,0
COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC5CNC(=O)O5)n(-c5ccccc5)c4=O)cc3F)ccnc2c1,0,0,0,0
C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)nc4)nc32)c1,0,0,1,0
COc1ccc(C2CC(O)(c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1,0,0,0,0
CSc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)Cc1ccc(C(C)(C)C)cc1,0,0,0,0
CNc1c(F)c(Oc2cccc(-c3cccc(CN)c3)c2)nc(Oc2cc(N(C)C)ccc2C(=O)O)c1F,0,0,0,0
COC(=O)C1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1C(F)(F)F,0,0,0,0
Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1,0,0,0,0
CCCC1CCC(c2ccc(C(N)=O)cc2)CC1,1,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccccc2)cc1,0,0,0,0
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O,0,0,0,1
CCOC(=O)c1ccc(NC(=S)N(CCCN2CCCC(C)C2)Cc2ccco2)cc1,0,0,0,0
COc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1,0,0,0,0
CN(C)Cc1cc(OCCCN2CCCCC2)ccc1OCc1ccccc1Cl,0,0,0,0
CC(C)Oc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COc1ccc(-c2nn3c(-c4ccc(F)cc4)nnc3s2)cc1,1,0,0,0
CCCCCc1ccc(S(=O)(=O)NCCc2c(-c3cc4ccccc4o3)[nH]c3ccccc23)cc1,0,0,0,0
Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(C(F)(F)F)c2)n1,0,0,0,0
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)CC(C)(C)C)C(C)C,0,0,0,0
CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)OC)c2c1,0,0,0,0
C=CCOC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)cc(Cl)c1OC,0,0,0,0
CSc1ccc(C(=O)C2CCCN(C(=O)c3nn(C)c(=O)c4ccccc34)C2)cc1,0,0,0,0
COC1CCN(c2cnc3ccc(Sc4nnc5c(F)cc(-c6cnn(C)c6)cn45)cc3c2)CC1,0,0,0,0
NC(=O)c1cc(-c2ccc(F)cc2)cc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)c1N,0,0,0,0
C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2ncc(C3CC3)cn2)C1,0,0,0,0
C[C@@H]1CC(=O)Nc2cccc(C(=O)NC3CCOc4ccccc43)c2N1,0,0,0,0
O=C(Cn1c2ccccc2c(=O)c2ccccc21)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCCCC1,1,0,0,0
Cc1ccc(C(O)(c2ccc(C)c(C)c2)C2CN3CCC2CC3)cc1C,0,0,0,0
CC(C)Oc1ccc2c3c(oc2c1)C(C)(C)c1cc(OC[C@H](O)[C@@H](O)CO)ccc1C3=O,0,0,0,0
COc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1OC,0,0,0,0
O=C(/C=C/c1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1)NO,0,0,0,1
C/C(N)=C(/C#N)C(=O)COc1ncnc2ccccc12,0,0,0,0
COc1ccc(CNCCSc2nnnn2C)cc1OC,0,0,0,0
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(=O)c2ccccc2F)CC1,1,0,0,0
CC(C)C(NC(=O)CCCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
N#CN1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
C=CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CC5)c(OC)c4)nn32)CC1,0,0,1,0
CCCCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1,0,0,0,0
COc1cc(S(=O)(=O)c2ccc(C(C)(C)O)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
COCCn1nnnc1C(CC(C)C)N1CCN(c2cccc(OC)c2)CC1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(C)cc(C)c3)c(F)c2)CC1,0,0,0,0
O=C(O)CCCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)c(OC)c1,0,0,0,0
Cc1ccc(COC(=O)c2ccc3ccccc3n2)cc1,0,1,0,0
COC(=O)CSC1=NP(=S)(SCC(=O)OC)N2CCCC2=C1C#N,0,0,0,0
COc1ccc(NC(=O)C(OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)cc1Cl,1,0,0,0
CCOC(=O)c1ccc(N(C)c2csc(-c3ccccc3)n2)cc1,0,0,0,0
CCc1ccc(/C=C2/SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1,0,1,0,0
COc1ccc(C(=O)N2CCN(Cc3c[nH]nc3-c3ccc(OC)cc3F)CC2)cc1,1,0,0,0
Cc1cccc(N2C(=O)SC(S/C(=N/c3ccccc3)Nc3ccccc3)C2=O)c1,1,0,0,0
CN1CCC2(c3cccc(O)c3)CC(=O)CC1C2,0,0,0,0
CCCC(C)c1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
O=c1cc(CCc2cccc(Cl)c2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1,0,0,0,0
O=C(Nc1ccccc1-c1nnc(SCc2ccccc2)o1)c1ccccc1,1,0,0,0
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1,0,0,0,0
Cc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cccc2s1,0,0,0,0
COC(=O)Cc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1,0,1,0,0
COc1ccc2[nH]c(C)c(CN3CCCC(C)C3)c(=O)c2c1,0,0,0,0
C=CC(=O)N1CCc2c([nH]c3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn23)C1,0,0,1,0
NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12,0,0,0,0
CCOc1ccc(-c2n[nH]cc2Oc2cccc(OC)c2)c(O)c1,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(F)c1ccccc1-2,0,0,0,0
CCC1(CC)C(=O)NC(=O)N=C1Nc1ccccc1,0,0,0,0
CCOc1cc(C(=O)N(C)CC(=O)Nc2cccc(F)c2)ccc1OCC(=O)N1CCCCC1,1,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O,0,0,0,0
Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1ccc(C#N)cc1,0,0,0,0
c1ccc(COCCCCOc2ccc([C@H]3CCNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0,0,0,0
CCn1nc(C)c(CN2CCC(n3nccc3NC(=O)CCCc3ccccc3)CC2)c1C,1,0,0,0
CCO/N=C(\C)c1c(O)cc(C(C)C)n(-c2ccccc2)c1=O,0,0,0,0
CCS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
c1ccc2c(-c3nn4nnnc4c4ccccc34)cccc2c1,1,0,0,0
COc1cc(C2CC2)ccc1-c1cccc2c1CCN(S(=O)(=O)Nc1ncns1)C2,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)NCCC2=CCCCC2)c1,0,0,0,0
Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2ccccc2Cl)n(C)c1=O,0,0,0,0
C[N+]1(C2CCN(C(=O)c3ccc(C(=O)N4CCC(N5CCCC5)CC4)cc3)CC2)CCCC1,0,0,0,0
CC1CCCCN1CCCNC(=O)c1[nH]c2ccccc2c1Sc1ccc(Cl)cc1,1,0,0,0
CC(C)(C)S(=O)(=O)c1cnc2c(-c3ccsc3)cnn2c1N,0,0,0,0
CCC[C@H]1N(C(=O)c2cnccc2C(F)(F)F)CCC[C@@]1(Oc1ccc(C(F)(F)F)cc1)C(=O)N1CCN(c2ccccc2OCCO)CC1,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(F)c(F)c3)cncc21,0,0,0,0
O=[N+]([O-])c1ccc(N2CCN(c3ccccc3O)CC2)cc1,0,0,0,0
Cc1cccc(NC(=O)c2sc3c(c2C)C(=O)NC(=c2cc4c(oc2=O)=CC(=O)C=C4)N3)c1,0,0,0,0
COC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1,0,0,0,0
CC1C[C@@H]2[C@H](C1)C2(c1cccc(N)c1)N1CCN(c2ccccc2)CC1,0,0,0,0
Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(CN5CCCC5)n4)cc23)cc1,0,0,0,0
CNc1ccc2ncncc2c1,0,0,0,0
COC(=O)C(Sc1cnc(NC(C)=O)s1)c1ccccc1,0,0,0,0
CC1(C)CCC(C)(C)c2cc(-c3cc(C(=O)O)no3)ccc21,0,0,0,0
CN1CCC(Cn2cnc(C(O)(c3ccccc3)C3CCCCC3)n2)CC1,0,0,0,0
O=C1c2ccccc2C(=O)N1CCSc1nnc[nH]1,0,0,0,0
COc1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
COc1cc(NC(=O)c2oc3ccccc3c2C)ccc1NC(=O)c1ccco1,1,1,0,0
CCOC(=O)c1cnn(-c2cc(C)nc3c(-c4ccccc4)c(C)nn23)c1N,1,0,0,0
O=C(COc1ccc(F)cc1Br)N1CCc2ccccc21,0,1,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cc(Cl)cc(Cl)c3)c2=O)cc1,0,0,0,0
Cc1ccc(-n2c3c(c(=O)[nH]c2=S)C(C(F)(F)F)(C(F)(F)F)NC(=O)N3)cc1,0,0,0,0
CC(C)CCn1c(=O)c2ccccc2n2c(CN3C(=O)NC4(CCC(C)CC4)C3=O)nnc12,0,0,0,0
O=S(=O)(Nc1cc(-c2ccc(F)cc2F)cc(-n2cnc3cc(-c4cnco4)ccc32)c1)c1ccccc1,0,0,0,0
O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4cccc(Cl)c4)c3=O)ccc2/C1=C/c1ccc[nH]1,0,0,0,0
COc1ccccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
O=C1C=C2C(=CCOC2O)O1,0,0,0,0
CC1CC(=O)c2c(N3CCNCC3)cccc2N1S(=O)(=O)c1ccc2ccccc2c1,0,0,0,0
NC(=O)C1CCCN(CCNCc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)C1,0,0,0,0
OCCC1CN(Cc2cccc(C(F)(F)F)c2)CCN1Cc1ccccc1,0,0,0,0
O=C(CCCc1ccccc1)Nc1ccc2c(c1)OCCO2,0,1,0,0
COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl,0,0,0,0
CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccccc1,0,0,0,0
CC(C)C(O)(c1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
Cn1cc([N+](=O)[O-])c(C(=O)Nc2ccc3nc(-c4ccccc4)[nH]c3c2)n1,0,1,0,0
CC(C)C1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(Cl)nc2)cc1,0,0,0,0
COc1ccc(OC)c(C2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)c1,0,0,0,0
CCOc1cccc(NC(=O)C2CC(=O)N(C)C2)c1,0,0,0,0
Cc1cccc(-n2cc(C(=O)O)c(=O)cc2C)c1,0,0,0,0
CC1(C)c2ccccc2N2CC(=O)NC21C=CC=Cc1ccccc1,0,0,0,0
Cc1csc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1,0,1,0,0
COC(=O)CN1CCN(C(=O)c2ccco2)CC1,0,0,0,0
CC(=Nc1ccccc1O)c1sc2ccccc2c1O,1,1,0,0
[C-]#[N+]c1ccc(NCC2(C)CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)C2)nc1,0,0,0,0
CCC1CCCCN1C(=O)Cn1c(=O)n(-c2ccc(Cl)c(Cl)c2)c(=O)c2c(C)c(C(=O)N(C)C)sc21,1,0,0,0
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(OC)c1,0,0,0,0
COc1cccc(Cn2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c3sc4ccccc4c32)c1,0,0,0,0
O=C(O)C[C@@H]1C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N([C@@H](CO)C2CC2)C1=O,0,0,0,0
Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)C3)n1,0,0,0,0
Oc1ccc(-c2ncc(-c3cc(O)c(O)cc3Br)s2)cc1O,0,0,0,0
CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1ccnn1C1CC1,0,0,0,0
CC1CCCN(CCCCCCCOc2ccc(Cl)cc2)C1,0,0,0,0
OC1[C@@H](O)[C@H](O)C(NCc2cn(CCC(c3ccccc3)c3ccccc3)nn2)[C@H](O)[C@H]1O,0,0,0,0
COC(=O)c1sccc1NC(=S)Nc1ccc(C)cc1,0,0,0,0
Clc1cc2c(cc1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2,0,0,0,0
Cc1cc(=O)cc(C)n1-c1ccc(O)cc1,0,0,0,0
Cl.N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2ccccc2F)o1,0,0,0,0
Cn1c(SCC(=O)NN=CC=Cc2ccccc2[N+](=O)[O-])nc2ccccc21,1,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](C(F)(F)F)NC1,0,0,0,0
OCC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CSc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(C)cc2)cc1,1,0,0,0
CCCC(=O)Nc1sc2c(c1C#N)CCCC2,0,0,0,0
O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NN1CCCCC1,0,0,0,0
Nc1c(Cl)cc(C2=NCCn3nc4ccccc4c32)cc1Cl,0,0,0,0
CN1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
Cc1cc(=O)oc2c3c(cc(OCC(=O)NCc4ccncc4)c12)OC(C)(C)CC3,1,0,0,0
Cc1cc(C(F)(F)F)nc(Nc2nc(C)c3ccccc3n2)n1,0,0,0,0
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCCCc1ccccc1)c(=O)n2Cc1ccccc1,1,0,0,0
CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2c(c(-c4ccccc4)cn2Cc2ccccc2)C[C@@]3(O)C1C5,0,0,0,0
CCN1CCN(CC(=O)N2N=C(c3cccs3)CC2c2ccc(F)cc2)C(=O)C1=O,0,0,0,0
COc1ccc2[nH]c(-c3ccccc3)c(CCN(C)C)c2c1,0,0,0,0
COc1cc(-c2c[nH]c(=O)c(-c3cc(OC)c(OC)c(OC)c3)n2)ccc1O,0,0,0,0
Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccccc4O)cn(C4CC4)c3c2F)cc(C)n1,0,0,0,0
COCCn1cnc2c1c(=O)n(Cc1ccccc1C#N)c(=O)n2Cc1ccccc1,1,0,0,0
CN(C)S(=O)(=O)NC[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(F)ccc2Sc2ccccc23)CC1,0,0,0,0
CN(C)CC1CCCCC1OC(=O)c1ccc(Cl)c(Cl)c1,1,0,0,0
COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(OC)c1,0,0,0,0
COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1C,0,1,0,0
COc1ccccc1CNc1ccc([N+](=O)[O-])cc1C,0,0,0,0
COc1ccccc1N1CCN(C(=O)C(Cc2ccccc2)NC(=O)C2CCCCC2)CC1,1,0,0,0
CCS(=O)(=O)c1ccc(Nc2nn(C3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
COc1cccc(Oc2coc3cc(OC(=O)N(C)C)ccc3c2=O)c1,0,0,0,0
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,1,0,0,0
CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(C)[C@@H](OC=O)S(=O)(=O)C12,0,0,0,0
CC1(C)CCC2=C(O1)c1ccc([N+](=O)[O-])cc1C(=O)C2=O,0,0,1,0
CCOC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1,0,0,0,0
O=C(O)c1sccc1SCc1ccc(Cl)c(Cl)c1,0,0,0,0
CCOC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1,0,0,0,0
c1ccc(-c2nnc(-c3c[nH]c4ccccc34)nc2-c2ccccc2)cc1,1,0,0,0
Cc1nnc2c3cnn(-c4ccc(Cl)cc4)c3ncn12,0,0,0,0
CCOC1CCC(CN2C[C@H](c3ccccn3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)cc(C#N)nc5C)CC4)CC3)C2=O)CC1,0,0,0,0
C#CCOc1ccc(C=C2C(=O)ON=C2C)cc1Br,0,0,0,0
[O-][n+]1ccc2c(-c3ccccc3Cl)cc(N3CCNCC3)nc2c1-c1c(Cl)cccc1Cl,0,0,0,0
Cc1cccn2c(=O)c(C=C(C#N)S(=O)(=O)c3ccccc3)c(Oc3ccc(Cl)cc3)nc12,1,0,0,0
COc1ccc(C=NN=C2SC(CC(=O)O)C(=O)N2c2ccccc2)c(OC)c1,0,0,0,0
COCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc(OC)c2)C1=O,1,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(F)c1,0,0,0,0
CCN(CC)c1ccc(/C=C2\C(=O)ON=C2C)cc1,0,0,0,0
CN1C(=O)C(=Cc2ccco2)N=C1c1ccc(Cl)cc1Cl,0,0,0,0
N#Cc1c2c(c(SCc3ccccc3Cl)[nH]c1=O)CCCC2,0,0,0,0
O=C(Cn1cccn1)N1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1,1,0,0,0
CCn1c(O)c(C=Nc2ccccc2)n(-c2ccccc2)c1=S,0,0,0,0
COc1cc(N2CCOCC2)ccc1Nc1ncc2c(n1)N(C)c1ccccc1C(=O)N2C,0,0,0,0
COC(=O)c1cc(C)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COCC(C)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
Cc1ccc(C)c(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2)c1,1,0,0,0
c1cncc(-c2nc(N3CCCCCC3)c3ccccc3n2)c1,1,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccsc2)CC1,0,0,0,0
O=C(Oc1cccc2cccnc12)c1ccc(Br)o1,0,0,0,0
Clc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1,1,1,0,0
CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(C(F)(F)F)c1,0,0,0,0
CS(=O)(=O)Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
Fc1cccc(OC[C@@H]2CN(Cc3ccc(Cl)cc3)CCO2)n1,0,0,0,0
COCCNC(=O)C(CSCc1ccccc1)N1Cc2ccccc2C1=O,0,0,0,0
Cc1ccc(NC2=C(N3CCCCC3)C(=O)c3ccccc3C2=O)cc1,0,0,0,0
CC1C(=O)N(C2CCN(C3CCC(C(C)C)CC3)CC2)c2ccccc21,0,0,0,0
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Cn1nnc(I)c1COCCOCCOCCOCCOCCOCCOCCOCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O)C(=O)O,0,0,0,0
CCN(CC)CCSc1ccc(/C=C/C(=O)NO)cc1NCc1ccccc1,0,0,0,0
CCOc1cccc(F)c1C1CC(O)C(=O)N1Cc1ccc(OC(F)(F)F)c(Cl)c1,0,0,0,0
CC(C)CS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,0,0,0,0
CC1(C)CN=C2C(=O)c3cc(NS(=O)(=O)c4cccc(C(F)(F)F)c4)ccc3N2C1,0,0,0,0
Cc1cc(Nc2ccc(O)cc2)n2c(nc3ccccc32)c1C#N,0,0,0,0
Cn1c(-c2ccc(O)cc2Cl)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1,0,0,0,0
O=C1NC(c2ccccc2)=C(c2ccccc2)C1=O,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1,0,0,0,0
Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1,0,0,0,0
CCC1CCC(c2nnc(-c3ccc(Br)cc3)o2)CC1,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3ccccc3C)CC4)cn2)CC1,0,0,0,0
CN1CCC(c2ccc(Nc3nc4c(NCc5ccccc5CN(C)S(C)(=O)=O)cccn4n3)cc2)CC1,0,0,0,0
O=S(=O)(c1ccc(F)cc1)N(Cc1ncc[nH]1)c1ccccc1-c1ccccc1,0,0,0,0
Cc1c(C(=O)NCCO)sc2ncnc(Nc3cccnc3OC(C)CCNS(C)(=O)=O)c12,0,0,0,0
C[C@@]12C(=O)Nc3ccc(Cl)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1,0,0,0,0
CS(=O)(=O)CCCOc1cccc2c1ccn2-c1ccnc(NC2CCC(C(=O)N3CCC(O)CC3)CC2)n1,0,0,0,1
COc1ccc(Cn2c(SCC#N)nc3ccc(N4CCOCC4)cc3c2=O)cc1,0,0,0,0
O=S(=O)(c1cccc(-c2n[nH]c(=S)o2)c1)N1CCOCC1,1,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl,1,0,0,0
Fc1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCO3)n2)cc1,1,0,0,0
CC1Cc2ccccc2N1Cc1cc(=O)c(OCC(=O)NCCc2ccccc2)co1,1,0,0,0
CCCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CCOC(=O)C(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,0,0,0,0
COc1ccc(C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)cc1OC,1,0,0,0
CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(Cl)cc(Cl)c2)c1,1,0,0,0
CN(C)S(=O)(=O)c1cccc(NC(=O)CCc2nc3cc(S(=O)(=O)N4CCOCC4)ccc3n2C)c1,1,0,0,0
C=CCOc1c(Cl)cc(C(=S)N2CCCC2)cc1OCC,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(C(F)(F)F)cc3)CC1=O)C2,0,0,0,0
O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1F,0,0,0,0
CC[C@@H](Nc1cc(CN2CC[C@@H](C(=O)O)C2)ccc1F)c1ccc(Cl)c(C)c1,0,0,0,0
COC(=O)C=Cc1cccc(C2C3C=CCC(C)C3C(=O)N2Cc2ccccc2)c1,0,0,0,0
Cn1cc(S(=O)(=O)N2CCc3ccccc3C2)c(=O)n(C)c1=O,0,0,0,0
CC(C)NC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CC(=O)Nc1sc2c(c1C(c1ccccc1)N1CCOCC1)CCCC2,1,0,0,0
O=c1[nH]c(N2CCC(c3cnccn3)CC2)nc(N[C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c1-c1nc2ccccc2s1,0,0,0,0
O=C1Nc2c(Cl)ccc(O)c2C2(CCCCC2)N1,0,0,0,0
COCCNc1cc(NC(=O)N2CCCc3cc(C(F)F)c(C=O)nc32)ncc1C#N,0,0,1,0
COc1cc(CNc2nnc[nH]2)cc(Br)c1OC,0,0,0,0
COc1cc2c(cc1OC)C(=O)C(CC1CCN(CCNc3c4c(nc5cc(Cl)ccc35)CCCC4)CC1)C2,0,0,0,0
COc1cc(-c2nc(-c3ccc(O)cc3)c[nH]c2=O)cc(OC)c1OC,0,0,0,0
O=C(Nc1ccc(Cl)cc1)NC1c2c(ccc3ccccc23)OCC1CO,1,0,0,0
COc1cccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])c1,0,0,0,0
Cc1c(-c2cnc(C(C)C)[nH]2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,0,0,0,0
COc1cc(S(=O)(=O)NCc2ccncc2)c(OC)cc1C,0,0,0,0
CCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,0,0,0,0
COc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)c(OC)c1,0,0,0,0
NC(=O)c1cnc(N[C@H](C2CC2)C(F)(F)F)c2c1[nH]c1cc(-c3cn[nH]c3)ccc12,0,0,0,0
O=C1CCC(CCN2CC(N3CCCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1,0,0,0,0
CCOc1ccc2nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1,0,0,0,1
Cn1cnc2cc(-c3ccc(N4CC[C@H](O)C4)c(S(C)(=O)=O)c3)nc(N[C@@H]3CCOC3)c2c1=O,0,0,0,0
Cc1ccc(Cl)c(OCCN2CCCC(C)C2)c1,0,0,0,0
COCCNC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)c1cccc(C)c1C,1,0,0,0
COC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,0,0,0,0
CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1,0,0,0,0
NC(=O)c1ccc(Oc2ccc3c(c2)CCCN(CCCC2CCCCC2)C3)nc1,0,0,0,0
N#Cc1cc(CN2CCN(c3ccccc3)CC2)c[nH]1,0,0,0,0
COc1ccc(/C(N)=N/OC(=O)Oc2ccccc2)cc1,0,0,0,0
COc1ccccc1N1C(=O)CC(Sc2nccc(C)n2)C1=O,0,0,0,0
Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1,0,0,0,0
COc1ccc(Nc2ncc(C(C)C)c(Oc3cccc4c3C(=O)CC4)n2)c(OC)c1,0,0,0,0
CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN(CC(F)F)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCOC(=O)C1CCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1,1,0,0,0
Cc1cc(OC(=O)c2ccc(F)cc2)c2nncn2n1,0,0,0,0
C#Cc1cccc(Nc2ncnc3nc(Nc4ccc(CN5CCOCC5)cc4)sc23)c1,0,0,0,0
CCS(=O)(=O)Nc1ccc2c(c1)C(c1cnc[nH]1)CCC2,0,0,0,0
CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCC[C@H](O)C2)cc1,0,0,0,0
CC1CN(C(=NS(=O)(=O)c2ccccc2)c2ccccc2)CC(C)O1,0,0,0,0
Nc1nn(-c2ccccc2)nc1C(=O)OCc1c(F)cccc1Cl,0,0,0,0
Cc1cccc(Nc2ncnc3[nH]c(C)c(C)c23)c1,0,0,0,0
Cc1ccc(F)c(N2CCN(CCN3C(=O)CC4(CCCC4)CC3=O)CC2)c1,0,0,0,0
COc1ccccc1CNC(=O)c1ccc2c(c1)N(Cc1cccc(Cl)c1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
CN1C(=O)C(C)(C)c2cc(S(=O)(=O)N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)ccc21,1,0,0,0
O=C(O)CCNC(=O)C1CCCN(S(=O)(=O)CCC2CCNCC2)C1,0,0,0,0
CCC(C)C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(-c2cn(C(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)nn1,1,0,0,0
N=C(N)N1CCc2ccc(OCC3CCN(c4ccncc4CCC(=O)O)CC3)cc2C1,0,0,0,0
O=C(NC(=S)Nc1cccnc1Cl)c1ccco1,0,1,0,0
COc1ccccc1-c1nc2ccccc2nc1-c1ccccc1,0,0,0,0
Cc1cc(C)n(CCc2nc3c4ccccc4nc(N4CCN(c5ccccc5)CC4)n3n2)n1,0,0,0,0
CCn1c(SCc2nc(O)c3c(-c4ccccc4)csc3n2)nnc1-c1ccc(Cl)cc1,1,0,0,0
O=C1CN(C(=O)COC(=O)c2ccccc2O)c2ccccc2N1,0,0,0,0
CO[C@H]1/C=C/O[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C6CCCC6)CC5)c(O)c4c3C2=O)NC(=O)/C(C)=C\C=C\[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0,0,0
O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c([nH]c2c1)CC1CCC3N1,0,0,0,0
O=C(O)CSCC(=O)Nc1ccc(C2CCCCC2)cc1,0,1,0,0
[C-]#[N+]C1=C(C(F)(F)F)N=C2COC(=O)C2C1c1ccc2n[nH]c(C)c2c1,0,0,0,0
N=C=C1C(=O)NC(=O)C([n+]2ccc(-c3ccncc3)cc2)C1c1ccccc1C(F)(F)F,0,0,0,1
C=CCOc1ccc2ccccc2c1CNn1c(C)n[nH]c1=S,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCC(=O)O)c5ccccc5Cl)nc(N)n4)c3c2)cn1,0,0,0,0
O=C1CCCC2=C1C(c1cccs1)Nc1ccccc1N2,0,0,0,0
CS(=O)(=O)NCC1CCC(CNc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
CC(=O)N[C@H]1CSCc2cccc(c2)Cc2cccc(c2)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2CN(C(=O)Oc3ccccc3)C[C@@H]2CC(=O)O)c1,0,0,0,0
COc1ccc(C2CC(=O)c3cnc(N)nc3C2)c(OC)c1,0,0,0,0
CN(C)c1ccc2cncnc2c1,0,0,0,0
COc1ccc(-c2n[nH]c3c2C(c2ccc(Cl)cc2Cl)NC3=O)cc1,0,0,0,0
CCCC1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1,1,0,0,0
CC(C)(C)C(=O)NCCC1CCN(c2nccc3cc(C(N)=O)sc23)CC1,0,0,0,0
COc1ccc(C2CC(c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1,0,0,0,0
Cc1cc(N2CC3CCN(C(=O)c4c(F)cccc4-n4nccn4)CC32)nc(N(C)C)n1,0,0,0,0
Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc(N)cc5)cc4)c13)NC2=O,0,0,0,0
CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccccc2[N+](=O)[O-])n2ncc(C(=O)Nc3ccccc3)c2N1,1,0,0,0
CNC(=O)Cn1cc(S(=O)(=O)Cc2ccccc2F)c2ccccc21,0,0,0,0
CCN(CC)c1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12,0,0,0,0
COC1=CC(=Cc2c(N)n3nc(CC(=O)N4CCCCC4)sc3nc2=O)C=C(OC)C1=O,0,0,0,0
CN1CC2CN(c3nc4ccccc4n(C4CCN(C5CCCCCCC5)CC4)c3=O)CC2C1,0,0,0,0
CN1CCN(c2ncc3nc(-c4ccccc4)c(=O)n(CCc4ccccc4)c3n2)CC1,1,0,0,0
CC(C)CCC(=O)CC1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1,0,0,0,0
Nc1ncnc2c1cnn2C1CCCCC1,0,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(OC)cc3)cs2)n1)C(=O)O,0,0,0,0
O=[N+]([O-])c1ccc(-c2nnc3cccc(Cl)n23)cc1,0,0,0,0
O=C1NCc2c1c1c(c3c2[nH]c2ccccc23)C(=O)NC1=O,0,0,0,0
Cc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1,1,0,0,0
CN(C)c1ccc(C=C2N=C(C(C)(C)C)OC2=O)cc1,0,0,0,0
CN(C)Cc1ccccc1-c1nc(N(C)C)c2ccccc2n1,0,0,0,0
Nc1nonc1C(=O)N1CCCC1,0,0,0,0
Cc1ccc(S(=O)(=O)NC2=NN3C(=NC(c4ccccc4)=CC3c3ccccc3Cl)N2)cc1,1,0,0,0
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,1,0,0
Cc1nccn(-c2ccc(-c3cc4cnc(NC5COC5)nc4n(CC4CCNCC4(F)F)c3=O)c(Cl)c2)c1=O,0,0,0,0
CC1CCCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)C1,0,1,0,0
Cc1ccsc1C(=O)NCCc1c[nH]c2ccccc12,0,1,0,0
COc1ccc(-c2cn(CCO)nc2-c2ccc(OC)cc2)cc1,1,0,0,0
COc1cc2nc(Nc3ccc(F)cc3)nc(N)c2cc1OC,0,0,0,1
COC(=O)c1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccccc3)sc2c1,0,1,0,0
COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCc3ccsc3)CC2)c(OC)c1,0,0,0,0
c1ccc(-c2nc(NCC3CC3)nc3ccsc23)cc1,0,0,0,0
COc1ccc(N2CCN(C(c3cc(OC)ccc3OC)c3nnnn3CC3CCCO3)CC2)cc1,1,0,0,0
C[C@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCCN2C(=O)[C@@H](CC(=O)O)NC(=O)CN(C)C(=O)[C@@H]2CCCN2C(=O)c2cc3cc(c2)C(=O)NC[C@H](NC1=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)O)CNC3=O,0,0,0,0
COc1ccc(C(=O)Oc2c(Sc3ccc(C)cc3)c(C)nn2C(C)(C)C)c(OC)c1,0,0,0,0
COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2CCC(C)C)cc1,1,0,0,0
CCNC(=O)c1c(C)sc2nc(Cn3nc(C(F)(F)F)cc3Cl)cc(=O)n12,0,0,0,0
CCOc1ccc(Nc2oc(Cc3ccccc3)nc2C#N)cc1,0,0,0,0
COc1ccc(-c2[nH]c3nccnc3c2C)cc1,0,0,0,1
O=C(O)c1ccc(S(=O)(=O)N2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1,0,0,0,0
O=C(ON1C(=O)CCC1=O)N1C[C@@H]2[C@H](C1)[C@H]2c1ccn(-c2ccc(F)cc2)n1,0,0,1,0
CCNC(=O)C(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](NC(=O)CNC(=O)CCCCC1CCSS1)C(C)C,0,0,1,0
CC(C)OC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCOCC1)c1ccccc1CC2,1,0,0,0
Cc1cc(N)nc(CCc2cncc(C3CCN(C)CC3)c2)c1,0,0,0,0
O=c1[nH]c2nccc(Br)c2[nH]c1=O,0,0,0,0
Cc1cccc(C(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)c1,0,0,0,0
CCOc1cc(=O)n(C)cc1-c1cc(N(Cc2cccnc2)S(=O)(=O)CC)ccc1Oc1ccc(F)cc1F,0,0,0,0
CC1(C)c2cc(N3CCC(NS(C)(=O)=O)CC3)c(Cl)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
COc1ccc(N(CC(=O)Nc2ccc3c(c2)OCO3)S(=O)(=O)c2c(C)nn(C)c2C)cc1,1,0,0,0
Cn1ccc2c(CN3C(=O)CCCC34CCN(c3cnc5ccccc5n3)CC4)cccc21,0,0,0,0
CN1CCN(CCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1,0,0,0,0
N#Cc1c(N2C(=O)Nc3ccccc3N2O)sc2c1CCCCCC2,0,0,0,0
CON(C)c1nc(OCCNC(=O)OCc2ccc(Cl)cc2Cl)nc(N(C)C)n1,1,0,0,0
CNc1nc(-c2ccccc2C)nc2ccccc12,0,0,0,0
CC(=O)Nc1nccc(-c2cc(-c3ccccc3)no2)n1,0,0,0,0
N=C(N)c1ccc2[nH]c(-c3cccc(C4(F)CCCCC4)n3)cc2c1,0,0,0,1
CC1=N/C(=C/c2cc(Br)cc(Br)c2O)C(=O)O1,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CCNCC2,0,0,0,0
CCc1ccccc1-n1nc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
CC(C)=CCC1=C(O)c2ccccc2/C(=N/NC(=O)c2ccncc2)C1=O,0,0,1,0
O=c1c(Cc2c(F)cccc2Cl)c(O)ccn1CCCn1ccnc1,0,0,0,0
O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(F)(F)S(=O)(=O)F)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccccc2C)CC1,1,0,0,0
COCCCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0,0,1
C=CCN1C(=O)NC(=O)C(=C(CC)NCCc2c[nH]c3ccccc23)C1=O,0,0,0,0
COc1ccc(-n2nc(C(=O)N3CCCCC3)c(C)c(C#N)c2=O)cc1,0,0,0,0
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@@H]2C2c3ccccc3C=NN21,1,0,0,0
COc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1,0,0,1,0
[O-]/C(=C(\C(=S)Nc1ccccc1F)[n+]1ccccc1)c1ccc(-c2ccccc2)cc1,0,0,0,0
Cc1nc(-c2cccc(S(=O)(=O)N3CCCC(C)C3)c2)cs1,0,0,0,0
Cc1ccc(-c2noc(C3CCCN(S(=O)(=O)c4ccc5ccccc5c4)C3)n2)o1,0,0,0,0
CCOC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCOCC4)cc3[nH]2)c1,0,0,0,0
COc1cc(-c2cnc[nH]2)cn2c(-c3ccccc3)c(-c3ccc(C4(N)CCC4)cc3)nc12,0,0,0,0
CCOc1ccc(OCC)c(Nc2cc(C)nc3ncnn23)c1,1,0,0,0
C[C@@H]1OC(=O)C[C@H]2[C@@H]3CC=C4CC(O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0
O=C1N(c2ccc(Cl)cc2)C(c2cccnc2)N2CCCN12,0,0,0,0
NC(=O)c1cc(-c2cnoc2)nc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12,0,0,0,0
COCCn1cc(C(=S)N2CCCCC2)c2ccccc21,0,0,0,0
C[N+]1(CC(=O)c2ccc(-c3ccccc3)cc2)[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,0,0,0,0
CC(c1ccc(C(=O)NCCC(=O)O)cc1)n1nc(-c2cc(Cl)cc(Cl)c2)cc1-c1ccccc1C1CCCCC1,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccccc4s3)cc2)CC1,1,0,0,0
CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc3c(N)nccc3c1)c1ccc(c(C)c1)CCCC(=O)N2,0,0,0,1
C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2ncccn2)C1,0,0,0,0
O=C(OCCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
CCOC(=O)c1c(NC(NC(C)=O)C(Cl)(Cl)Cl)sc2c1CCCC2,0,0,0,0
CCOC(=O)c1ccc(N2C(=O)C=C(N3CCOCC3)C2=O)cc1,0,0,0,0
S=C(NN=Cc1ccc(Cl)cc1)N1CCOCC1,0,0,0,0
COc1ccccc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O,0,0,0,0
CC(C)(C)OC(=O)C(C)(C)ON=C(C(=O)O)c1csc(N)n1,0,0,0,0
O=c1c2ccccc2ncn1-c1ccccc1F,0,0,0,0
COc1cc2ncnc(NCc3cn(-c4ccccc4)c4cc(Cl)ccc4c3=O)c2cc1OC,0,0,0,0
CCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1C,0,0,0,0
CCc1nn2cc(-c3nc4cc(F)ccc4o3)nc2s1,0,0,0,0
CCOC(=O)C1C(c2cccs2)NC(=O)N(C)C1(O)C(F)(F)F,0,0,0,0
Cc1cc(C)cc(NC(=S)[C-](C(=O)c2ccc(Cl)s2)[n+]2cccc(C)c2)c1,0,0,0,0
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cccc(Cl)c4Cl)cc3)ccc12,0,0,0,0
COCCN(CCOC)Cc1c(O)ccc2c1OC(=Cc1ccc(C)o1)C2=O,0,0,0,0
CCOC(=O)C1CCN(/C=C2/C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1,0,0,0,0
CCOc1cccc(C(=O)C2=C(O)C(=O)N(CCOC)C2c2ccco2)c1,0,0,0,0
CC(C)Oc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC(c1ccccn1)N(Cc1ccco1)C(=S)Nc1cccc(F)c1,0,0,0,0
Cc1ccccc1N1C(=O)C(Cl)=C(N2CCOCC2)C1=O,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccccc1F)C(F)(F)F,0,0,0,0
O=C1NC(=O)c2c1c1c3ccc(CN4CCCCC4)cc3[nH]c1c1c2c2cccc3c2n1CCC3,0,0,0,0
CS(=O)(=O)Nc1cccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c1,0,0,0,0
CC1CCCN1c1cccc(Nc2cc(-c3ccc4cn[nH]c4c3)nn3ccnc23)n1,0,0,0,0
COc1ccc(-c2nc(C(=O)NCC3CCCO3)cc3c2[nH]c2ccccc23)cc1,1,0,0,0
C[S+]([O-])CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,0,0,1,0
CC1CCN(CC[C@@H](C)N(C)S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1,0,0,0,0
COc1ccc(-c2nc3ccccc3nc2-c2ccc(OC)c(OC)c2)cc1OC,0,0,0,0
Cn1cc(S(=O)(=O)NC2CCN(CCOc3ccccc3-c3ccccc3)CC2)cn1,0,0,0,0
CSc1nc(=O)c(C(c2ccc(C)cc2)c2c(O)[nH]c(SC)nc2=O)c(O)[nH]1,0,0,0,0
COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCC(=O)O,0,0,0,0
C=CC(=O)N1CCN2c3c(cnc4cc(-c5c(C)ccc6[nH]ncc56)c(Cl)cc34)OC[C@@H]2C1,0,0,1,0
COc1cccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(C)CC(=O)N32)c1,0,0,0,0
COC(=O)C1(CO)NC(c2ccc(C)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
CCOc1ccc2c(c1)C(=NN1C(=O)c3ccccc3C1=O)C(=O)N2,0,0,0,0
Cl.O=C(O)c1ccc(CN2CCCCC2)o1,0,0,0,0
N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(C3CCC(F)(F)C3)n2)c1,0,0,0,0
COC1CCCCC1Nc1cc(C)cc(C)c1,0,0,0,0
Cc1cccc(C(=O)N2C3CCC2C(Nc2ncc(C(F)(F)F)cn2)C3)c1-c1ncco1,0,0,0,0
CC(=O)N1CCC(OCc2cncc(-c3cnc4c(c3)CCCN4C(N)=O)c2)C1,0,0,0,0
COc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1,0,0,0,0
CC(=O)c1cc(F)c(N2CCCC2)cc1C,0,0,0,0
CC(C)NC(=O)N1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2,0,0,0,0
O=C(c1cccs1)N1CCCc2ccccc21,0,0,0,0
CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,0,0,0,0
CC(/C=N/Nc1ccc2nncn2n1)=C\c1ccccc1,0,1,0,0
O=S(=O)(c1cccc(C(F)(F)F)c1)N1c2ccccc2-n2cccc2[C@H]1c1cccnc1,0,0,0,0
Cc1nc2c(=O)n(-c3ccc(F)c(Cl)c3)nc(C)c2s1,0,0,0,0
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(NCc4ccc(C(=O)NO)cc4)cc3)cc12)c1ccccc1,0,0,0,1
CCc1cc(-c2noc(-c3cc(C)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO,0,0,0,0
Nc1nc(OCCC2CC2)nc2c1NC(=O)CN2Cc1cccc(CN2CCCC2)c1,0,0,0,0
CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](C)[C@@H]2S(=O)(=O)C1,0,0,0,0
CC(=O)Nc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CCNc1nc(NC(C)C)nc(Nn2cnnc2)n1,0,0,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2cc([N+](=O)[O-])ccc2O)cc1,0,0,0,0
Cc1cccc(Nc2nc(-c3cccs3)cs2)n1,0,1,0,0
Cc1oc(-c2cnc(Nc3ccc4ncsc4c3)cc2NC(C)C)nc1NC(=O)OC(C)(C)C,0,0,0,0
Cc1cc2n[nH]c(=O)n2c2cc(-c3cccc(CN4CCNCC4)c3)ccc12,0,0,0,0
O=C(c1ccccc1)N(Cc1ccc(F)cc1)Cc1nc(=O)c2ccccc2[nH]1,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3cccc(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
CC[C@H](CC(=O)O)n1c(=O)c2cnccc2n(Cc2cn(C)c3cc(C)cc(C)c23)c1=O,0,0,0,0
COCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21,0,0,0,0
Cc1cc(C)n(CCCCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1,0,0,0,0
O=C(C1CCN(S(=O)(=O)c2cccc3cccnc23)CC1)N1CCN(Cc2ccccc2)CC1,1,0,0,0
Cc1nn(-c2ccccc2)c(Cl)c1/C=N/Nc1nc2ccccc2n1C,0,1,0,0
CC(=NCC1CCCO1)C1=C(O)CC(C)(C)CC1=O,0,0,0,0
CC(=O)Oc1ccc2nonc2c1OC(C)=O,0,0,0,1
CCOC(=O)CN1C(=O)NC(c2ccccc2)C(C(=O)OC)=C1C,0,0,0,0
CCc1ccc(CN2CCN(Cc3cc(Br)ccc3O)CC2)cc1,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)c1,0,0,0,0
CNCCc1ccc(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
O=[N+]([O-])c1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,1,0,0,0
Cc1ccc(CN2C(=O)NC(=O)C3(Cc4c(nc5ccccn5c4=O)N4CCCCCC43)C2=O)cc1,0,0,0,0
C=CCn1c(SCC(=O)C(C#N)=C(C)N)nc2sc(C)c(C)c2c1=O,0,0,0,0
Cc1cc(C(=O)O)ccc1-c1cc(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)ccc1C,0,0,0,0
COc1ccc(/C=C/C(=O)Oc2cccc(/C=N/NC(=O)COc3c(C)cccc3C)c2)cc1,1,0,0,0
Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1,1,0,0,0
NCCCNC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12,0,0,0,0
Cc1ccc(C=C2SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1,1,0,0,0
N#Cc1ccc(-c2ccc3c(c2)C2(CCCCC2)OCC(=O)N3)[nH]1,0,0,0,0
COc1ccc(CS(=O)(=O)CC(C)(O)c2ccccc2Cl)cc1,0,0,0,0
CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)NCCN(C)C)cc3)nc21,0,0,0,0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)N4CCc5ccccc54)cc32)c(C)c1C(=O)N1CCN(C)CC1,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4OC)cc32)cc1C,0,0,0,0
O=c1c2c(nc3cc(-c4ccccc4)[nH]n13)CCC2,0,1,0,0
CC(=O)N(Cc1cccc(Br)c1)c1ccc(N2CCOCC2)c(Cl)c1,1,0,0,0
Cc1noc(C)c1-c1cc(C(N)=O)c2[nH]c3cc(C(=O)N4CCOCC4)ccc3c2n1,0,0,0,0
CCOC(=O)c1csc(NC(=O)c2ccccc2)n1,0,1,0,0
CCOc1ccc2c(c1)c(-c1ccc(OC)cc1)c(C(=O)O)c(=O)n2Cc1ccccc1OC,0,0,0,0
CCOC(=O)C1(Cc2ccccc2)CCN(Cc2ccon2)CC1,0,0,0,0
COc1ccc(F)cc1C(=O)C1CCCN(C(=O)c2cccc(N(C)C)c2)C1,1,0,0,0
Cn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1,0,0,0,0
Cc1cccc(C(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)c1,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12,0,0,1,0
O=C(O)CC1S/C(=N\N=C/c2ccccc2)N(c2ccc(O)cc2)C1=O,0,0,0,0
CC(C)(C)CC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1,0,0,0,0
FC(F)(F)c1ccnc(Nc2cccc(-c3ccccc3)c2)n1,0,0,0,0
C=C[C@@]1(O)CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
CN(C)CCCNCC(=O)c1c(-c2ccccc2)n(C)c2ccccc12,0,0,0,0
Cc1csc(NC(=O)COc2ccc3c(c2)CCC3)n1,0,1,0,0
CCCN1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCN(C(=O)OCC)CC4)cc3)c2C(N)=O)C1,1,0,0,0
CCOc1ccc(S(=O)(=O)NC)cc1Nc1cc(Nc2ccc(Cl)cc2)ncn1,0,0,0,0
Cc1cc(Nc2ccc(F)cc2F)n2ncnc2n1,0,0,0,0
CN(C)C(=O)c1ccc(N(Cc2cccc(C#N)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(N2CCCC2)n1,0,0,0,0
CCCCCC1C(=O)CC2CCN3C(=O)CCCC1C23,0,0,0,0
NCCCC[C@H](N)C(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,0,0,0,0
Nc1ncnc2scc(-c3ccc4c(C(=O)Nc5ccccc5)cccc4c3)c12,0,0,0,1
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1Br,0,0,0,0
O=C(Cc1ccccc1Cl)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1,1,0,0,0
CCOC(=O)C1(Cc2ccccc2)CCN(Cc2cccc3nccnc23)CC1,0,0,0,0
CC[C@H](C)CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1,0,0,0,0
CNc1c(Br)cnc2nc(-c3cnn(C4CCN(C)CC4)c3)[nH]c12,0,0,0,0
O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cc1,0,0,0,0
C=CCn1c(SCc2ccccc2)nnc1-c1cccnc1,0,0,0,0
O=C1c2ccccc2NC2=NCCN12,0,0,0,0
CC(C)C1Nc2ccc(C(=O)NC3CCCCC3)cc2NC1=O,0,0,0,0
O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1ccccc1,0,0,0,0
Oc1ccccc1C(=S)N1CCN(C(=S)c2ccccc2O)CC1,0,0,0,0
O=C(OCC1COc2ccccc2O1)c1c(F)cccc1F,0,1,0,0
CCn1c(SCc2ccccc2C)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21,0,0,0,0
C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2cncnc2)c2ccccc12,0,0,0,0
CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(CCC#N)c2n1,0,0,0,0
Cn1c(Nc2ccc(C(C)(C)C)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0,0,0,0
COc1cc(CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c([N+](=O)[O-])cc1OC,0,0,0,0
O=C1OCC/C1=C\c1ccccc1,0,0,0,0
COC(=O)CCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12,0,0,0,0
CNC(=O)O[C@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CC(=O)NC(C)Cc1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1,0,0,0,0
CC(C)(C(=O)O)c1ccc(CN2CCC(COC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1,0,0,0,0
Cc1cccnc1C1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4cccnc34)cc2)CC1,0,0,0,0
O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1F,0,1,0,0
COc1ccccc1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)cc1,0,0,0,0
CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(C3=CCOC3=O)CCC12O,0,0,0,0
CCOC(=O)c1cccc(NC(=O)CSc2nc3cc4ccccc4cc3[nH]2)c1,1,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC(F)F)c12,0,0,0,0
CCC(C)(C)NC(=O)C(c1ccc(OC)cc1)N(CC1CCCO1)C(=O)CCC(=O)Nc1cc(C)on1,1,0,0,0
CCCCOC(=O)Nc1nc(C)c(C(=O)OCC)s1,0,0,0,0
Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(NS(C)(=O)=O)CC3)c2c1=O,0,0,0,0
CC(C)[S+]([O-])c1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
Cc1c(-c2ccccc2)c(C(N)=O)c2n1CCN(C(=O)NC(C)(C)C)C2,0,0,0,0
Cc1cccc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)c1,0,0,0,0
COc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12,0,0,0,0
CC(C)CNC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)[C@@H](C)O)[C@@H](C)CC,0,0,0,0
CCOP(=O)(OCC)C(Nc1ccc(C(=O)O)cc1)c1ccccc1,0,0,0,0
CCN(CC)Cc1cc(NC2=NS(=O)(=O)c3ccccc32)ccc1OC(=O)c1ccccc1,0,0,0,0
O=C(NN=CC=Cc1ccccc1)c1cc2c(ccc3ccccc32)o1,0,0,0,1
Cc1ccc(C2C(S(C)(=O)=O)=C(O)C(=O)N2c2ccccc2)cc1,0,0,0,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCC[C@H]2C1CCN(C(=O)CCCl)CC1,0,0,0,0
CC(C)Nc1nc(-c2ccc(C3(N)CC3)nc2)cc2ncn(C)c(=O)c12,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)N1CCCc2ccc(Oc3cc(-c4nc(C5CC5)no4)cc(C4CC4)n3)cc21,0,0,0,0
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1,0,0,0,0
COCCNC(=O)C(C)C=C(c1cccnc1)C(NC(=O)OCc1ccccc1)c1ccc(C(=O)OC)cc1,1,0,0,0
COc1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCOCCn1ccnc1[N+](=O)[O-],0,0,0,0
Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2cn[nH]c2)n1,0,0,0,0
CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0,0,0
CC(NC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1)c1nc2ccccc2[nH]1,1,1,0,0
COc1ccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,0,0,0,0
NC(=O)c1ncn(C2OC(CO)C(O)C2O)c1N,0,0,0,0
CCCCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21,0,0,0,0
CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2c(F)cccc2Cl)C1,0,1,0,0
CCOC(=O)c1cncn1C1c2ccccc2C(=O)OC1(C)C,0,0,0,0
Cc1cccc(C)c1NC(=S)N/N=C/c1ccc(OCCC(C)C)cc1,0,0,0,0
CCCc1ccc(-c2oc(COc3ccc(OCC(=O)O)c(C)c3)nc2-c2cnc(OC)nc2)cc1,0,0,0,0
O=C(Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)c1cccs1,1,0,0,0
CCc1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1,1,0,0,0
COc1ccc(-n2nnnc2C(F)(F)F)cc1[C@H]1COC2(CCCNC2c2ccccc2)C1,0,0,0,0
CCCCOc1nc(N)c2c(n1)N(Cc1ccccc1)CC(=O)N2,0,0,0,0
COc1cccc(S(=O)(=O)c2ccccc2Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)c1,0,0,0,0
COc1cc(/C=N/Nc2nc(C)cc(=O)[nH]2)ccc1OC(=O)c1cccnc1,0,0,0,0
COc1ccc(-c2nnc(SCCOc3cccc(C)c3)n2N)cc1,0,0,0,0
O=C(N/N=C/c1ccccn1)c1sc2ccccc2c1Cl,0,1,0,0
COCCOc1cc(CC2CCN(CCc3ccc4occ(O)c(=O)c4c3)CC2)ccc1Br,0,0,0,0
Cc1c(NS(=O)(=O)c2ccc(CCCN3CCN(C)CC3)cc2)c(CC(C)C)nn1C,0,0,0,0
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1cccc(C(C)=O)c1,1,0,0,0
Cc1ccc(CSCc2nc3ccccc3[nH]2)cc1,0,0,0,0
COc1cc2c(Nc3ccc(Cl)c(Cl)c3F)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1,0,0,0,1
CC(C)(C)C(=O)NNC(=O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
CCC1CCCCN1C(=O)c1sc2nc(C)nc(N(CC)CC)c2c1C,1,0,0,0
O=C(O)COc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br,0,0,0,0
O=C(C=Cc1ccco1)Nc1ccc(Nc2ccccc2)cc1,0,0,1,0
Cn1cc(-c2cc(Cl)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1ccc(CCn2c(O)c(C=NCc3ccc4c(c3)OCO4)c(=O)[nH]c2=O)cc1OC,0,0,0,0
O=C(NC1CCCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,1,0,0,0
NC(=O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
COCCn1cnc2c1c(=O)n(Cc1ccc(Br)cc1)c(=O)n2Cc1ccccc1,1,0,0,0
CC(C)Oc1cccc(-c2c[nH]c3ccc(-c4nc(N)no4)cc23)n1,0,0,0,0
COc1cccc(C2=NCCc3cc4c(cc32)OCO4)c1OC,0,0,0,0
COc1ccc(C(=O)O)nc1-c1csc(Cc2ccccc2)n1,0,0,0,0
Cc1ccc(Nc2nc(CSc3nnc(-c4ccccc4C)n3C)cs2)cc1,0,1,0,0
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(C(C)C)CC5)ccc34)n[nH]2)cc(OC)c1,0,0,0,0
CCN(CC)c1ccc(C2N(C(=O)N3CCOCC3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
COC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
COC(=O)C(Cl)=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
CCOC(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
Cc1ccc(NC(=O)CSc2nnc(NC(=O)C(C)C)s2)c(C)c1,1,0,0,0
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C[C@H](O)C(F)(F)F)c3)nc12,0,0,0,0
Cc1cc(Nc2cc(N3CCOCC3)nc(Nc3ccc([N+](=O)[O-])cc3)n2)n[nH]1,0,0,0,0
NC1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)C1,0,0,0,0
Cn1cc(CCC2CCNCC2)c2ccccc21,0,0,0,0
O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,1,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3ccccc3C#N)CC2)C1,0,0,0,0
CCCN(CCc1ccc2ccccc2c1)CC(O)c1cccnc1,0,0,0,0
Cc1nnc2c(NC(C)C)cc(-c3cn(C(C)C)nc3Cc3ccccc3)nn12,0,0,0,0
COCCOC(=O)C1=C(C)NC(=O)NC1c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,1,0,0,0
CCCSc1nc(=O)n2cccc(C)c2n1,0,0,0,0
FC(F)(F)c1ccc(CN2CCNCC2)cc1,0,0,0,0
CC(=O)Nc1ccc(N2C(=O)CC(N3CCSCC3)C2=O)cc1,0,0,0,0
CN(C)C(=O)c1ccc(CCC(COc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)N2C(=O)CCC2=O)cc1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NC(C)c2ccncc2)cc1,0,0,0,0
CC(Sc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)cc2)cnc1N)c1c(Cl)ccc(F)c1Cl,0,0,0,0
Fc1ccccc1-c1n[nH]c2cnc(-c3cncc(NC4CCNCC4)c3)cc12,0,0,0,0
COc1cc(/C=C2\SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)ccc1OC(C)C(=O)O,0,0,0,0
Cc1csc(NC(=O)c2cccc(Cn3nc(C)c(Br)c3C)c2)n1,1,0,0,0
Cc1cc(OC2CC2)ccc1N1CC[C@@H](Oc2ccc([C@H](C)NC(=O)CC#N)cc2)C1,0,0,0,0
O=C(c1ccco1)c1cn[nH]c1-c1ccc(Cl)cc1O,0,0,0,0
C[C@H](O)[C@H]1N=C(O)[C@@H](CCCCN)N=C(O)[C@H](Cc2c[nH]c3ccccc23)N=C(O)[C@@H](Cc2ccncc2)N=C(O)[C@@H](Cc2ccccc2)N=C(O)[C@@H](CCCNC(=N)N)N=C(O)[C@@H](NC[C@@H](Cc2ccc(O)cc2)NC(=O)CS(=O)(=O)C[C@H]2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)CCCCN=C(O)[C@@H](Cc2ccccc2)N=C1O,0,0,0,0
COc1cccc2cc(C(N)=O)c(=NNC(=O)COc3ccc(Cl)cc3)oc12,1,0,0,0
Cc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c12,0,0,0,0
C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCCN(C(=O)OC(C)(C)C)CC4)cc3OC)ncc2Cl)c1,0,0,0,0
COc1cccc(OCc2nc3c(OC)cc(-c4cn[nH]c4)cc3c(=O)[nH]2)c1,0,0,0,0
CN1C(N)=N[C@](C)(c2cc(-c3ccc(F)c(C#N)c3)cs2)CS1(=O)=O,0,0,0,0
COc1ccc(C=CC(=O)NCC(=O)N/N=C/c2cc(Br)ccc2OCc2ccccc2)cc1,1,0,0,0
CCCCN(Cc1ccccc1O)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
COc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1OC,0,0,0,0
S=c1nc(Cc2ccccc2)[nH]c2ccccc12,0,0,0,0
COc1ccccc1CCNS(=O)(=O)c1cn(C)nc1C,1,0,0,0
CCOc1ccc(N(CC(=O)NN=C2CCN(C)CC2)S(=O)(=O)c2ccc(Br)cc2)cc1,1,0,0,0
O=c1[nH]c(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccsc12,0,0,0,0
Fc1ccc2[nH]cc(CCCNCCOc3cccc4c3OCC4)c2c1,0,0,0,0
Cc1ccc(-n2nnnc2-c2ccc3c(c2)C=CS(=O)(=O)O3)cc1,0,0,0,0
Cc1ccc(Cn2ccc(=O)c(OCc3ccccc3)c2C)cc1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(C(C)(C)F)S1)c1ccccc1F,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@@]2(C)CC(O)(O)C3)cc1,0,0,0,0
CC(C)c1ccc(OCC(=O)NC(Cc2c[nH]c3ccccc23)C(=O)O)cc1,1,0,0,0
Cc1cc(-c2c(F)cc3c4nn(C5CCCCC5)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1,0,0,0,0
CC(C)CN(Cc1ccc(N2CCS(=O)(=O)CC2)cc1)S(=O)(=O)Cc1ccccc1,0,0,0,0
COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OS(=O)(=O)c1ccccc1,0,0,0,0
CC1(c2ccccc2)C(=O)NC(=O)NC1=O,0,0,0,0
COc1cc2c(cc1OC)[C@@H]1Cc3c(CO)c(OC)cc(OC)c3CN1CC2,0,0,0,0
CC(C)(C)[Si](C)(C)Oc1ccc2ccc(=S)oc2c1,0,0,0,0
CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
O=C(c1ccc(Oc2ncccc2N2CCOCC2)cc1)c1nc2ccccc2s1,0,0,0,0
CCCS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)c2cc3ccccc3nc2N)cc1,0,0,0,0
CC(C)Cc1ccc(CN2CCCC(NC(=O)c3ccnn3C)C2)cc1,1,0,0,0
COc1cc(OCc2csc(C3(c4ccc(Br)cc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
COc1ccc2c3c([nH]c2c1)[C@H](CC(C)C)N1C(=O)[C@H](C)NC(=O)[C@@H]1C3,0,0,0,0
CCOc1ccc2[nH]nc(-c3cc(N4CCNC(=O)C4)ncn3)c2c1,0,0,0,0
CC(C)c1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1,0,0,0,0
CCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccccc2)C1=O,0,0,0,0
O=C1NC(=O)C(=Cc2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)C(=O)N1,0,0,0,0
COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3)N3CCC[C@@]23C1=O,0,0,0,0
Cc1cnc(-c2cc(N3CCC(NC(=O)CO)CC3)ncc2Cl)c(C)c1,0,0,0,0
OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCCCOc3ccccc3)(CC1)CC2,0,0,0,0
CO[C@H]1COc2ccc(C#C[C@]3(O)CCN(C)C3=O)cc2-c2nc(C(N)=O)sc21,0,0,0,0
CCCCC#Cc1nc(NC2CC2)c2ncn([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1,0,0,0,0
CCC(C)Sc1cc(-c2nc3cc(C)ccn3c2NC2CCCCC2)ccc1OC,0,0,0,0
O=C(c1ccccc1NCc1ccc2cn[nH]c2c1)c1n[nH]c2ccccc12,0,0,0,0
Cc1cc(C)n2nc(SCc3cc(=O)oc4ccc5ccccc5c34)nc2n1,1,0,0,0
Cc1cc(/C=N/Nc2ncnc(N)c2[N+](=O)[O-])c(C)n1-c1ccccc1,0,1,0,0
O=C(NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1)c1ccccc1,1,0,0,0
Cn1c(CO)cnc1SCc1ccc(Cl)cc1,0,0,0,0
N#Cc1cnc2c(Cl)cc(NCc3cn(C4CCN(C5CCC5)CC4)nn3)cc2c1Nc1ccc(F)c(Cl)c1,0,0,0,0
CCOC(=O)Cc1csc(NC(=O)c2ccc(Br)cc2)n1,0,1,0,0
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,1,0,0,0
CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC3CCCc4ccccc43)c2)[nH]1,0,0,0,0
N#Cc1nc(-c2ccc(OCc3ccc(Cl)cc3)cc2)oc1NCCCn1ccnc1,0,0,0,0
CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Br)cc23)c1,1,0,0,0
Cc1n[nH]c(N2CCN(c3ccccc3)CC2)nc1=O,0,0,0,0
CCOc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1,0,0,0,0
Cc1cccc(-c2nc3cc(NC(=O)C4CCCO4)ccc3o2)c1,1,1,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(Cc2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
CCn1c(NC2CCCC2)nc2c(-c3ccccc3)csc2c1=O,0,0,0,0
Cc1ccc(COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1,0,0,0,0
Cc1ccccc1CN1CCN(C(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)CC1,0,0,0,0
Cc1ccc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1,0,0,0,0
CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)c(C)c(C)n3C)cc1,0,1,0,0
Cc1cnc(-c2cc(C)c3nc(-c4c(NCC(O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)[nH]1,0,0,0,0
COc1ccc(S(=O)(=O)NC(N)=NCCc2ccc(OC)c(OC)c2)cc1C,0,0,0,0
COc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1,0,0,0,0
CCc1cc(C(=O)N(C)C)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1,0,0,0,0
O=c1[nH]c2ccc(O)c(-c3ccc(CN4CCC(O)C4)c(F)c3)c2c2ccsc12,0,0,0,0
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(CCN3CCOCC3)C=C2C1=O,0,0,0,0
COc1ccc(OCCSc2nnc(-c3ccc(OC)cc3)n2N)cc1,0,0,0,0
CCO[C@]1(c2cccc(OC)c2)CCCC[C@@H]1CN(C)C,0,0,0,0
CC1=C(C(N)=O)C(c2cccs2)NC(=S)N1,0,0,0,0
Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(-c5ccn(CC(F)(F)F)n5)c34)n(-c3ccccc3)c(=O)c12,0,0,0,0
Cc1cc(C2=NCC(C)N2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0,0,0,0
Cc1cccc(NC(=O)Nc2cccc(F)c2)n1,0,1,0,0
Cc1sc2ncnc(N3CCCCC3)c2c1C,0,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1ccc(Br)cc1,0,0,0,0
N=C(N)c1ccc(OC(=O)c2ccc(CN3CCC[C@@H]3C(=O)N[C@@H](CS(=O)(=O)O)C(=O)O)o2)cc1,0,0,0,0
NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0,0,0,1
COc1ccc(N(C(=O)Cn2nnc3ccccc32)C(C(=O)NC(C)(C)C)c2ccc(OC)c(O)c2)cc1,1,0,0,0
COCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2,1,0,0,0
NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(F)c1,0,0,0,0
COC(=O)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
COc1ccc2c(c1)NC1(CCN(C(=O)c3ccc(OC)c(N4CCCC4)c3)CC1)c1cccn1-2,0,0,0,0
COc1ccc(-c2n[nH]cc2CN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,1,0,0,0
Cc1ccc(C)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1,0,0,0,0
C=CCn1c(SCC(=O)c2ccc(CNC(C)=O)o2)nc2scc(C3CC3)c2c1=O,1,0,0,1
Cc1cc(C)n(CCc2nc(-c3ccc(Cl)s3)cs2)n1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(=O)CO)CC5)c34)c(C)c2)n1,0,0,0,0
COc1ccccc1OCCn1c(-c2ccc(Br)cc2)nc2ccccc2c1=O,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1c(O)ccc2ccccc12,0,0,0,0
O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(C(=O)O)cc1,0,1,0,0
O=c1c2ccccc2nnn1CCO,0,0,0,0
COc1cccc([C@@]2(O)CCCC[C@@H]2CN(C)C)c1,0,0,0,0
Nc1nc(N2CCCCC2)nc2ccccc12,0,0,0,0
Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)C2,0,0,1,0
Cc1cc(Nc2cccc([N+](=O)[O-])c2)n2c(nc3ccccc32)c1C#N,1,0,0,0
O=C1NC(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)N1,0,0,0,0
CN(Cc1nnc(-c2ccc(F)cc2)o1)c1ccccc1,0,0,0,0
Cc1ccc(Nc2c(-c3ccc(C)cc3)nc3cnccn23)cc1,0,0,0,0
COc1cc(Br)c(S(=O)(=O)Cc2ccc(Cl)c(O[C@@H]3CCN(C)C3)c2)cc1OC,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccsc4)cn3)[C@H]12,0,0,0,0
O=c1[nH]c2cccc(N3C[C@H]4C[C@@H]3CN4CC3CCc4[nH]c5ccc(F)cc5c4C3)c2o1,0,0,0,0
COc1ccc(Nc2nc(N)c3ccccc3n2)c(OC)c1.Cl,0,1,0,0
O=C(OCC(=O)N1CCCCCC1)c1ccc(F)cc1F,0,1,0,0
O=c1[nH]c2nccc(Cl)c2[nH]c1=O,0,0,0,0
Cc1nnc2n1-c1ccc(I)cc1C(c1ccccc1F)=NC2,0,0,0,0
CC(CCc1sccc1NN=C1C(=O)C=Cc2ccccc21)CC(=O)O,0,0,0,0
COC(=O)c1cc(NCc2c(F)cccc2Cl)ccc1N1CCOCC1,1,0,0,0
CCS(=O)(=O)c1ccc2c(c1)NC(=O)CO2,0,0,1,0
CCCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
O=C(Nc1cccnc1)Nc1cn[nH]c1-c1nc2ccc(CN3CCOCC3)cc2[nH]1,0,0,0,1
CCOC(=O)c1ccc2c(c1)nc(SCC(=O)N1CCCCC1)n2CC,1,0,0,0
CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21,0,0,0,0
c1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
COc1ccc(C(CNC(=O)COc2ccc(F)cc2Br)N2CCCC2)cc1,1,0,0,0
CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(OCC3CC3)c2)N=C1N,0,0,0,0
CCCCCc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1[N+](=O)[O-],0,0,0,0
COC(=O)Cc1c(O)ccn(Cc2ccc(F)cc2)c1=O,0,0,0,0
O=S(=O)(NCC1CCCO1)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2ccco2)cc1,0,0,0,0
Cn1cc(-c2ccc3c(CCCN)cc4cc[nH]c(=O)c4c3c2)cn1,0,0,0,0
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OC(F)C(=O)O,0,0,0,0
CN(C)S(=O)(=O)c1cccc(N=C2SCCN2Cc2ccccc2)c1,0,0,0,0
CCCCN1C(=O)N(C)C2NC(=S)NC21,0,0,0,0
CN(C)CCNC(=O)CN1C(=O)COc2ccc(C(C)(C)C)cc21,0,0,0,0
CCOC(=O)c1c(NCC2CCCO2)c2ccccc2[nH]c1=O,0,0,0,0
COc1cccc(COC(=O)c2ccc(-c3nnn(Cc4ccccc4)n3)cc2)c1,0,0,0,0
O=[N+]([O-])c1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1,0,0,0,0
C#Cc1ccc2c(c1)C(=O)N1CC[C@H]1c1c(-c3nc(-c4ccccc4)no3)ncn1-2,0,0,0,0
Cc1cccc(-n2cnc3c(sc4nc(N5CCOCC5)c5c(c43)CCCC5)c2=O)c1,0,0,0,0
CCCCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,0,0,0,0
Cn1c(=O)c2[nH]c(SCCN3CCOCC3)nc2n(C)c1=S,0,0,0,0
O=C1c2ccccc2C(=O)N1c1ccc(Br)c2cccnc12,0,0,0,0
COC(=O)CNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0,0,0
COc1nn2cc(-c3nc4cc(OC(F)(F)F)ccc4o3)nc2s1,0,0,0,0
CN[C@@H]1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
N#Cc1ccc(Cn2ccnc2)cc1Sc1ccc(Cl)cc1Cl,0,0,0,0
COc1ccc2c(=O)n(CC(C)C)c(CN)c(-c3ccccc3)c2c1,0,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)c(C)s2)n1)C(=O)O,0,0,0,0
CS(=O)(=O)c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(CN2CCCC2)CC1,0,0,0,0
CC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21,0,0,0,0
C[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CCCN=C(N)N)CSSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,0
COc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1,0,0,0,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C)c(C)[nH]1,0,0,0,0
COc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C)cc1,0,0,0,0
Cc1nc(NCCc2ccccc2F)c(C#N)c(C)c1[N+](=O)[O-],1,0,0,0
CC1=C([N+](=O)[O-])C(c2ccccc2Cl)NC(=O)N1C,0,0,0,0
Nc1ccc(-c2nc3c(ccc4ccccc43)[nH]2)cc1,0,1,0,0
CSc1ccc(CN2CCN(C(C)C)C(CCO)C2)cc1,0,0,0,0
CS(=O)(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,0,0,1,0
CCc1c(O)[nH]c(SCc2ccc(F)cc2)nc1=O,0,0,0,0
COc1ccc(NC(=O)CSC2=Nc3ccccc3C3=NC(Cc4ccccc4)C(=O)N23)cc1Cl,1,0,0,0
CCOC(=O)c1c(S(=O)(=O)NCc2cccs2)c(C)n(C)c1C,0,0,0,0
COc1ccc(C2=NN(c3ccc(C4=NNC(=O)CC4C)cc3)C(=O)C3CC=CCC23)cc1Cl,0,0,0,1
CCCCSc1nc(-c2cccc(OC)c2)nc2c1Cc1c(CO)cnc(C)c1O2,0,0,0,0
O=C(O)CN1C(=O)C(=CC(Br)=Cc2ccccc2)SC1=S,0,0,0,0
COc1ccc(Cl)cc1Nc1nc(N)c2ccccc2n1.Cl,0,1,0,0
Fc1ccccc1NC(=S)N(CCN1CCCCCC1)Cc1cccs1,0,0,0,0
CN(C)C(=O)[C@H]1S[C@@H](n2cnc3c(N(C)C)nc(Cl)nc32)[C@H](O)[C@@H]1O,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2)CC1,0,0,0,0
COc1ccc(-c2c(-c3ccc(OCC(=O)NN)cc3O)n[nH]c2C(F)(F)F)cc1,0,0,0,0
O=C(CC(F)(F)F)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(NC(=O)CN(C)C)CC2)ncc1Cl,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Br,0,0,0,0
C=CCNC(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
CC(NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(F)cc1,1,0,0,0
CC(C)CCCC1(C)C=Cc2c(O)c3c(c(CCC(C)C)c2O1)OC12C(CC4CC1C(C)(C)OC2(CCC(C)C(=O)O)C4O)C3=O,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCCc1ccc(CC(C(=O)O)n2cccn2)cc1,0,0,0,0
c1ccc2c(c1)CCCN2Cc1nnnn1C1CCCC1,0,0,0,0
CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCCCCN)[C@H]2C(=O)O)CC1)C(C)C,0,0,0,0
COC(=O)Cc1c(C)c2cc(Cl)c(OC(=O)c3ccco3)cc2oc1=O,1,0,0,0
CC1(C)CC(=O)C(CO)=C(c2cccc3ccccc23)C1=O,0,0,0,0
CCCCN(CC)CCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
Cc1ccn(CC(=O)N2CCCC(N3CCN(c4cccc(Cl)c4)CC3)C2)n1,1,0,0,0
CCCCN(CCCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C,0,0,0,0
CC(NC(=O)Cc1cccc2ccccc12)C(=O)N1CCC(=O)CC1,0,0,0,0
Cc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN(Cc3ccccc3)C(C)C)c(C)o2)cc1,1,0,0,0
COc1cc(C2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCCO)cc(OC)c1OC,1,0,0,0
c1cncc(CNc2c3c(nc4nnnn24)CCCC3)c1,0,0,0,0
COc1ccc(Nc2nnc(SC(C(=O)Nc3ccc(OC)c(Cl)c3)c3ccccc3)s2)cc1,1,0,0,1
N#Cc1nc(NC2CCCCC2)c(N)c(N2CCOCC2)n1,0,0,0,0
O=C(c1ccc(-c2ccccc2)cn1)N1CCC(c2nc3ccccc3[nH]2)CC1,0,0,0,0
Cc1cc2c(o1)CC(C)(C)CC2=O,0,0,0,0
O=C1CN(C(=O)c2ccco2)C(c2ccccc2)c2cc(Cl)ccc2N1,0,0,0,0
CCn1cc(-c2cn3ncc(C(N)=O)c(N[C@H]4CN(c5ccc(C#N)cn5)C[C@H]4C)c3n2)cn1,0,0,0,0
COc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(SC)cc1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4noc(=O)[nH]4)c32)cc1,0,0,0,0
CC(C)(Cc1c(CC2CCC2)c2cc(OCc3ccccn3)ccc2n1Cc1ccc(-c2nccs2)cc1)C(=O)O,0,0,0,0
N#Cc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1,0,0,0,0
COc1ccccc1CNC(=O)c1ccc(-c2nc(CN3CCc4ccccc43)c(C)o2)cc1,1,0,0,0
COc1ccc(CN(C)C2CCCCC2)c(C)c1C,0,0,0,0
COc1ccc(C(Cl)=C(c2ccc(OC)cc2)c2ccc(OC)cc2)cc1,0,0,0,0
COc1ccccc1C(CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)N1CCCC1,1,0,0,0
O=[N+]([O-])c1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1,0,0,0,0
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NC(=O)OCC(C)C)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,0,0,0,0
CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1OC(C)=O,0,0,0,0
COc1ccc([C@@H](O)[C@@H](C)Oc2ccc([C@H]3O[C@H](c4ccc(OC)c(OC)c4)[C@H](C)[C@H]3C)cc2OC)cc1OC,0,0,0,0
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)c(C)c2)C1c1ccncc1,0,0,0,0
CCOc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1,0,0,0,0
CC1(C)Cc2ccccc2-c2[nH]c(=S)[nH]c(=O)c21,0,0,0,0
Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncccn4)c3)n2)cn1,0,0,0,0
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)c(Cl)c1O,0,0,0,0
COc1ccccc1CN1CC2CC(c3ccc(C)cc3)N3CCCC23C1=O,0,0,0,0
CC1CCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)NCCOc2ccccc21,0,0,0,0
Cc1ccc(C2=C(NC(=O)c3cc(-c4cccc(F)c4)no3)C(=O)NC(c3ccc(OCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(Cn3cc([N+](=O)[O-])cn3)c2)cc1,0,0,0,0
C[C@H]1CCCN1[C@H](CCCOc1ccccc1)c1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,0,0,0,0
COc1ccc(-c2nc3cnccn3c2Nc2ccc(C)cc2)cc1,0,0,0,0
Nc1n[nH]c(-c2cccnc2)c1-c1nc2ccccc2s1,0,0,0,0
Cc1cn([C@H]2C[C@H](NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)[C@@H](CO)O2)c(=O)[nH]c1=O,0,0,0,0
O=C1CCN(Cc2ccc(Br)cc2)CCN1C(CO)c1ccccc1,1,0,0,0
CCOc1ccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)cc1OCC,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F,0,0,0,0
O=C(c1ccc(Cn2c(-c3ccccc3)nc3ccccc32)cc1)N1CCC(N2CCCC2)C1,0,0,0,0
O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2sccc21,0,0,0,0
CCSC(=S)SCC(=O)c1cccc(NC(=O)c2cccnc2)c1,0,0,0,1
CCOC(=O)C(=O)/C(=C\N(C)C)c1onc(-c2c(F)cccc2Cl)c1C(=O)OC,0,0,0,0
COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1F,0,0,0,0
C=CC(=O)Nc1cccc2c1cc(C)n2-c1nc2c(c(NCc3ccccc3)n1)COCC2,0,0,1,0
O=C(c1cc(C2CCCC2)on1)N(C1CCCCC1)C1CCCCC1,0,0,0,0
CN1CCC(N2CC3CC(C2)c2cccc(=O)n2C3)CC1,0,0,0,0
Cc1ccc(-n2c(C=Cc3c(C)n(C)c4ccccc34)nc3ccccc3c2=O)cc1,0,0,0,0
O=S(=O)(Cc1nc2ccccc2s1)c1ccccc1,0,1,0,0
CCC(Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1,0,0,0,0
CC(C)C(CC(=O)OCC1(CO)C/C(=C\c2ccccc2)C(=O)O1)C(C)C,0,0,0,0
CC1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCC4)CC1,0,0,0,0
O=S(=O)(c1ccccc1)N1CCC(n2nnc3cc(F)ccc32)CC1,0,0,0,0
Clc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
CC(C)c1nnc(NC(=O)c2c(O)c3cccc4c3n(c2=O)CCC4)s1,1,0,0,0
O=[N+]([O-])c1cc(Cl)ccc1N1CCOCC1,0,0,0,0
COc1ccc(/C(N)=N/OC(=O)Cc2cccs2)cc1,0,1,0,0
CS(=O)(=O)C1(c2nc(-c3cc(C(F)(F)F)cc4[nH]ccc34)nc3c2OC[C@@H]2COCCN32)CC1,0,0,0,0
COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCN2C(C)=O,0,0,0,0
CC(=O)N1CCN(CCN2[C@@H]3CC[C@H]2CC(NC(=O)c2nn(C(C)C)c4ccccc24)C3)CC1,0,0,0,1
CS(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(O)CC4)c3)nn2CC(O)CN2CCCCC2)C1,0,0,0,0
COc1cc(N2Cc3ccc(-c4ccc(C(C)(C)C)cc4)nc3C2=O)ccc1OCCN1CCCC1,0,0,0,0
CCCC(c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1,1,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cccc(C(F)(F)F)c1)O2,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(C(C)(C)O)S1)c1cccc(F)c1,0,0,0,0
COc1ccc(CCCc2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1,0,0,0,0
CN1c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O,0,0,0,0
Cc1ncc(C#Cc2c(C)ncnc2NC(C)C)cc1NS(=O)(=O)c1ccccc1,0,0,0,0
Cc1cc(S(=O)(=O)c2ccccc2F)cc2c3c(oc12)CCNC3,0,0,0,0
CCNC(=O)C(C)c1ccc(O[C@H]2CCN(c3ccc(OCC4CC4(F)F)nc3C#N)C2)cc1,0,0,0,0
O=C(CCc1nnc(Cc2c[nH]c3ccccc23)o1)NCC1CC12CCCCC2,1,0,0,0
COc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F,0,0,0,0
COc1cc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c(OC)cc1Br,1,0,0,0
OCCCCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Clc1cccc(-n2cnnc2NCc2cccnc2N2CCCC2)c1Cl,0,0,0,0
Cn1cc(-c2cc(NS(C)(=O)=O)cnc2Oc2ccccc2)c2cc[nH]c2c1=O,0,0,0,0
CNc1nc(Nc2ccc3c(c2OC)CN(C(C)(C)O)C3=O)ncc1C(F)(F)F,0,0,0,0
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CN=C=S)cc4)ncnc32)[C@H](O)[C@@H]1O,0,0,1,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1N[C@@H]1CCC[C@H](CN(C)C)C1,0,0,0,0
O=c1c(-c2cc(F)cc(F)c2)nc2cncnc2n1-c1ccccc1,0,0,0,0
CC(NC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(F)F,0,0,0,0
Cc1ccc(O)c(NC(=O)c2onc(C)c2Cl)c1,0,1,0,0
C=CCn1c2ccccc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
O=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21,0,0,0,0
CCCCCCC=Cc1ccc(C2C3C=CCC(C)C3C(=O)N2Cc2ccccc2)c(F)c1,0,0,0,0
COc1cccc(N2C(CC(=O)O)c3ccc(C=CC(=O)O)cc3S2(=O)=O)c1,0,0,0,1
NC(=O)C1(c2cccnc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,0,0,0,0
OCCNc1ncnc2nc[nH]c12,0,0,0,0
C=CCOc1c(CNc2ccc(C(=O)O)cc2)cccc1OCC,0,1,0,0
CCc1ccc(S(=O)(=O)/N=C2\C=CC(=O)c3ccccc32)cc1,1,0,0,0
COc1ccc2c3c4n(c2c1)C(C=C(C)C)OOC(C)(C)CC4N1C(=O)C2CCCN2C(=O)C1(O)C3OCC=C(C)C,0,0,0,0
C/C(=N\NC(=O)CSCc1ccccc1Cl)c1cccc(NC(=O)c2ccccc2)c1,1,0,0,0
CC(C)(C)c1c(Cl)c(O)c(-c2ccccc2)c(=O)n1-c1ccccc1,0,0,0,0
Cc1ccccc1COC(=O)c1nn(-c2ccccc2)nc1N,0,0,0,0
COCCCNC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1,1,0,0,0
CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)N1CCN(c2ccccc2)CC1,1,0,0,0
CCOC(=O)COc1c(Br)cc(C2NC(=O)NC(C)=C2C(C)=O)cc1OC,0,0,0,0
N#Cc1c(N2CCC(c3ccccc3)CC2)ccn(CCC2CC2)c1=O,0,0,0,0
O=C1C[C@@H](C(=O)O)NC(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,0,0,0,0
Cc1ccccc1OCCN1C(=O)NC2(CCCc3ccccc32)C1=O,0,0,0,0
CN1CCN(c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)CC1=O,0,0,0,0
C[C@@]1(O)CC[C@@H](n2cc(C(N)=O)c(Nc3ccc([C@@](C)(O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
O=C1CC[N+](=Cc2ccc(Cl)c(Cl)c2)[N-]1,0,0,0,0
COc1ccc(/C=N\N=C2/SC(CC(=O)O)C(=O)N2c2ccc(O)cc2)cc1,0,0,0,0
COc1ccc(-c2cc3c(s2)c2sc(-c4ccc(C=O)s4)cc2n3C(C)(C)C)cc1,0,0,0,0
COc1ccc(-c2nc3cnc(N(C)C)nc3n(C)c2=O)cc1,0,0,0,0
Cc1cccc2c1CC(C)(C)N=C2C1=C(O)CCCC1=O,0,0,0,0
CC[C@@H](CO)NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
O=C1c2ccccc2C(O)N1CCN1CCOCC1,0,0,0,0
COc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)N[C@H](C)C(F)(F)F)c12,0,0,0,0
C=CCn1c(SCc2n[nH]c(=S)n2-c2ccccc2)nnc1-c1ccccc1,0,0,0,0
COc1ccc(/C=C(/C(=O)Nc2cccc(Oc3nc(Nc4ccc(N5CCN(C)CC5)cc4OC)ncc3Cl)c2)C(F)(F)F)cc1,0,0,1,0
CN(CCCn1c(=S)[nH]c2ncccc2c1=O)Cc1ccccc1,0,0,0,0
O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4ccccc4F)c3=O)ccc2/C1=C/c1ccc[nH]1,0,0,0,0
CC(NC(=O)C1CCCN(S(=O)(=O)c2cccs2)C1)c1ccccc1,1,0,0,0
Cc1ccc(NC2CCCN(C(=O)c3ccccc3N3CCOCC3)C2)cc1C,1,0,0,0
CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(-c2nn[nH]n2)cn1,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)c(OC)c1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0,0,1,0
COc1ccc(Cl)c(SC2=C(O)CC(c3c(Cl)ccc(NC4CCOCC4)c3Cl)CC2=O)c1,0,0,0,0
COc1ccc(/C=C2\SC(c3ccc4ccccc4c3)=NC2=O)cc1O,0,0,0,0
CCc1cc2c(=O)c(=C3Nc4ccccc4N3C)c(=COCC(=O)O)oc2cc1OC(=O)C(C)(C)C,1,0,0,0
O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCCc1ccccc1,1,0,0,0
Cn1c(=O)c2cn(-c3ccc4c(c3)OCCO4)cc2n(C)c1=O,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)c1cnc2c(NCC3CCOCC3)cccc2c1,0,0,0,0
Cc1ccc(C)c(NC(=O)CSc2nc(=O)c3c(C(F)(F)F)cc(-c4cccs4)nc3[nH]2)c1,1,0,0,0
COc1ccc2c(c1)OC[C@H]1[C@H]2N2C(=O)c3cc(Br)ccc3NC(=O)[C@@]2(C)[C@H]1c1ccccc1,0,0,0,0
COc1cccc2c(NCc3ccccc3)nc(-n3c(N(C)C)nc4ccccc43)nc12,0,0,0,0
Cl.NCc1cc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)nc(C(F)(F)F)c1,0,0,1,0
COc1ccc(CCN2C(=O)CC(NC34CC5CC(CC(C5)C3)C4)C2=O)cc1OC,1,0,0,0
CCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,0,0,0,0
Cc1cnc(-c2ccc(C(C)(C)C)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
Cc1c(NCc2ccncc2)cccc1C(=O)O,0,0,0,0
CS(=O)(=O)c1cccc(Oc2cccc(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,0,0,0,0
CCNc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2O1,0,0,0,0
O=C1CCC(c2ccccc2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1,0,0,0,0
O=C(/C=C/c1ccc(-c2nnc(Cc3cccc4ccccc34)o2)cc1)NO,0,0,0,0
Cc1nn(-c2ccccc2)c2sc(C(=O)N3CCc4ccccc4C3)cc12,0,0,0,0
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(Cl)c23)c1,0,0,0,0
CCN(CCC#N)C(=S)N(CC1CCOC1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)nc1,0,0,0,0
CC(C)[C@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O,0,0,1,0
CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)Cc3cccc(-c4ccccc4)c3)ccc2O1,0,0,0,0
CC1(C)C(=O)Nc2nc(-c3nn(Cc4ccccc4F)c4cc(Cl)ccc34)nnc21,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3ccc4c(c3)OCCO4)CC2)C1,0,0,0,0
C=CCn1c(NC(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,1,0,0,1
COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)CSc1ncnc2ccccc12,1,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CS(=O)(=O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12,0,0,0,0
COC(=O)c1ccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)cc1,0,0,0,0
COc1cccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)c1,0,1,0,0
COc1ccc(-c2ccc(C3C4C=CCC(C)C4C(=O)N3Cc3ccccc3)c(F)c2)cc1,0,0,0,0
C[C@]12C=CC(=O)C=C1C[C@@H](CCCc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
Cc1ccc2oc(=O)cc(CN3CC(C)OC(C)C3)c2c1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3cc(F)cc(F)c3)CC2)C1,0,0,0,0
CCCOCCn1c(=O)nc(N[C@H](C)C(=O)O)c2nnc(-c3ccc(OC)nc3)cc21,0,0,0,0
COc1ccc(S(=O)(=O)NCc2ccncc2)cc1Cl,1,0,0,0
CCC(CC)Sc1nc2cc(N3CCN(CC)CC3)c(Cl)cc2[nH]1,0,0,0,0
O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)cc3)ccc2O1,0,0,0,0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0,0,0,0
Cc1cccc(NC(=O)CN(CC2CCCO2)C(=O)c2oc3ccccc3c2C)c1C,1,0,0,0
CCOc1cc2c(cc1OCC)C(c1ccc(Cl)cc1)N(c1ccc(OC)cc1)C(=O)C2,0,0,0,0
CCC(C)(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2cccc(O)c2)cc1,0,0,0,0
CC1(C)NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21,0,0,0,0
CC(C)(C)c1ccc(CCC2OCC(C[N+]3(C)CCOCC3)O2)cc1,0,0,0,0
CC(C)C(C)NC(=O)COc1ncnc2ccccc12,0,0,0,0
Nc1ncc(-c2cnn(CCO)c2)c2scc(-c3ccc(NC(=O)Nc4cccc(F)c4)cc3)c12,0,0,0,1
N#Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
COc1ccc2cc(C(O)CCN3CCC(O)(Cc4ccccc4)CC3)ccc2c1Cl,0,0,0,0
COc1ccc(Nc2ncc(N3CCN(S(C)(=O)=O)CC3)cc2-c2nc(C)nc3nc[nH]c23)cn1,0,0,0,0
O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccc(F)cc2)CC1,1,0,0,0
Cc1nc2cccc(Cl)c2n1[C@H]1CCN(C(=O)OC2C3CC4CC2CC(C(N)=O)(C4)C3)C1,0,0,0,0
COc1ccc(-n2c(-c3ccc(Br)cc3)c[n+]3c2SC(C)C3)cc1,0,0,0,0
CCCCCCCC1=CC2=CC(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCc1ccccc1,1,0,0,0
COCCNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
COc1ccc(C2C([N+](=O)[O-])=C(C)N(C)C(=O)N2C)cc1OC,0,0,0,0
CCCCC(=O)C1C(=O)NC(=O)NC1=O,0,0,0,0
O=C1CCN(Cc2cccc(C(F)(F)F)c2)CC1C(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
CC(C)c1ccc(NC(S)=NN(c2ccccc2)c2ccccc2)cc1,1,0,0,0
Oc1ccc(-c2csc(-c3ccccc3)n2)cc1O,0,1,0,0
Clc1ccc(-n2nc3c4c(ncc3c2OCc2ccccc2Cl)CCCC4)cc1,0,0,0,0
Cc1c(C(=O)O)sc2nc(C)n(C)c(=O)c12,0,0,0,0
COc1ccc(OC)c(-c2cc3nc(N)nc(N)c3cc2C)c1,0,0,0,0
Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2C)s1,0,0,0,0
Cc1cc(N/N=C/c2ccccc2Cl)nc(NCc2ccccc2)n1,0,1,0,0
Cn1c(Cn2nnc(-c3ccccc3)n2)n[nH]c1=S,0,0,0,0
O=[N+]([O-])C(=C1Nc2ccccc2N1)C(Cl)=C(Cl)Cl,0,0,0,1
CCSc1nc(=O)c(C(c2cccc(OC)c2)c2c(O)[nH]c(SCC)nc2=O)c(O)[nH]1,0,0,0,0
CN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO,0,0,0,0
CCCCN1C(=O)C2NN=C(C(=O)OC)C2C1=O,0,0,0,0
COc1ccc2[nH]cc(CCNC(=S)NC3CCCC3)c2c1,0,0,0,0
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)N(C(C)C)C(C)C)cc1Cl,0,0,0,0
CC(C)c1cnn2c(Nc3ccc(S(=O)(=O)N(C)C)cc3)cc(OC3CCC(N)CC3)nc12,0,0,0,0
CCCn1c(N(C)C)nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc21,0,0,0,0
COc1cc(C(=O)c2cccs2)cc(O)c1-c1cc(Cl)cc(Cl)c1,0,0,0,0
CN(C)NC(=O)Nc1cccc2c1C(=O)c1c(-c3ccsc3)n[nH]c1-2,0,0,0,0
O=C(O)[C@H](Cc1ccc(-n2c(C3CCC3)nc3cccnc32)cc1)NC1=C(Br)C(=O)C12CCCCC2,0,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1,0,0,0,0
C[C@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccccc1)Oc1ccccc1-3,0,0,0,0
O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3C(F)(F)F)c2)s1)c1c(F)ccc(O)c1F,0,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(NC6CCOCC6)cc5c4)n3c2)cn1,0,0,0,0
COc1ccc(CNC2=NC(=O)CC(C(=O)Nc3cc(C)cc(C)c3)S2)cc1,0,0,0,0
COc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F,0,0,0,0
CCCn1c(=O)c2c(cc(-c3ccc(N)cc3)n2O)n(CCC)c1=O,0,0,0,0
COc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2c(O)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
NS(=O)(=O)OC[C@@H]1C[C@@H](Nc2ncnc3nc(-c4ccccc4OCc4ccccc4)[nH]c23)C[C@@H]1O,0,0,0,0
O=C(Nc1ccccc1C(F)(F)F)N1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
CC(=O)c1cccc(NC(=S)Nc2ccn(Cc3cccc4ccccc34)n2)c1,0,0,0,0
COc1cccc(-c2cc(C(=O)NCC3CCCO3)c3cc(Br)cc(C)c3n2)c1,0,1,0,0
COc1cc(CN(CCCC(=O)O)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCCO2)n[nH]1,0,0,0,0
N#CC(Cc1ccc(-c2ccc3c(c2)CCNC3=O)cc1F)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2,0,0,0,0
CC[C@H](NS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1cccc(OCC2CC2)c1,0,0,0,0
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccncc2)CC1,0,0,0,0
CS(=O)(=O)N1N=C(c2cccs2)CC1c1ccco1,0,0,0,0
CCOc1ccc2[nH]c3c(N4CCN(C(=O)c5ccco5)CC4)ncnc3c2c1,0,0,0,0
CC1=CC(=O)C(C(C)C)=CC1=NC(=O)c1ccc(C)cc1,0,0,0,0
CN(C)CCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(NC(=O)[C@H](C)N)CC1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(O)c(C(C)(C)C)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
CN(C)C(=O)Cn1ccc(Nc2cc3[nH]nc(N)c3c(-c3ccc(Oc4ccccc4)cc3)n2)n1,0,0,0,0
CNC(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
C=CC(=O)N1CCN(c2nnc(-c3ccccc3C)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1,0,0,1,0
COc1ccc2ccccc2c1C1NC(=O)NC(C)=C1[N+](=O)[O-],0,0,0,0
Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3cccc(C(F)(F)F)c3)C[C@@H]1O2,0,0,0,0
O=C(NC(=S)Nc1ccccc1Br)C1CCCC1,0,1,0,0
CN1C2CC(CO)C1Cc1cnc3c(-c4ccc(Cl)c(O)c4)c(-c4ccncc4)nn3c12,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2F)c1C,0,0,0,0
CCn1cc(C(=O)N(C)CC(OC)OC)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0,0,0
O=C1CC(Cc2ccccc2)C(=O)NCCNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2c[nH]c3ccccc23)N1,0,0,0,0
O=c1[nH]c(Cc2ccccc2-n2cccn2)nc2c1cnn2C1CCOCC1,0,0,0,0
Cc1csc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)n1,0,0,0,0
COc1ccc(-c2cn[nH]c2-c2ccc(O)cc2O)cc1OC,0,0,0,0
Cc1ccccc1NC(=O)c1cccc2nc3ccccc3nc12,1,0,0,0
Cc1ncoc1C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccccc1F,0,0,0,0
C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nc(-c3ccccc3)no2)c1,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H]1CSCCCCCC(=O)N[C@@H](CCN)C(=O)N1)[C@@H](C)O)C(=O)N[C@H](C(=O)NCCCCc1ccccc1)[C@@H](C)O,0,0,0,0
COc1cc(Cl)c2c(c1)[C@@H]1CNCCN1C2=O,0,0,0,0
CC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O,0,0,0,0
CC1CCc2cc(F)ccc2N1C(=O)c1cccs1,0,0,0,0
COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)c(C)c3)c2cc1OC,0,0,0,0
CN1C[C@H]2C[C@@H](NC(=O)c3n[nH]c4ccccc34)C[C@@H](C1)N2C,0,0,0,0
CCOC(=O)CCc1c(C)c2ccc(OCc3cc([N+](=O)[O-])ccc3OC)c(C)c2oc1=O,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4(O)CCC4)c3F)C2)cc1,0,0,0,0
COc1ccc(C/C(C)=N/Nc2nc(C)cc(=O)[nH]2)cc1,0,0,0,0
Cc1cc2c(cc1C)N(CC(=O)N1CCCC1)C(=O)CC(c1ccccc1)=N2,1,1,0,0
O=C(O)c1cccc(NC(=S)N/N=C/c2c[nH]c3ccccc23)c1,0,1,0,0
C=C1CC2C3C=C(C)C4=CC(=O)CCC4(C)C3CCC2(C)C1(OC(C)=O)C(C)=O,1,0,0,0
O=c1[nH]c(CSc2nnc(Nc3ccccc3)s2)nc2ccccc12,0,0,0,0
COc1cc(CNc2ccccc2Oc2cc(=O)n(C)c(=O)n2C)cc(OC)c1OC,1,0,0,0
NC[C@H]1C[C@@H]1c1cccc(-c2ccc(F)cc2)c1,0,0,0,0
COc1cccc(CNC2CCCCCCC2)c1OC,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C(N)N)cc1OC,0,0,0,0
Cc1cc2ncn(CCCCOc3ccccc3)c2cc1C,0,0,0,0
CCCC1=C(C(=O)OCC)C(c2cc(Cl)cc(OC)c2OCC(=O)OCC)NC(=O)N1,1,0,0,0
COc1cc(NS(=O)(=O)C2CC2)ccc1-c1cncc2ccccc12,0,0,0,0
O=S(=O)(c1cccc2ccccc12)c1[nH]nc2c(NC3CCNCC3)cccc12,0,0,0,0
O=C1Nc2ccccc2C1=Cc1ccnc2ccccc12,0,0,0,0
Cc1ccc(C)c(N2CN(CCC3=CCCCC3)CNC2=S)c1,0,0,0,0
O=c1cc(NC2CCN(c3ccccn3)CC2)c2cc(C(c3ccc(Cl)cc3)c3ccc(Cl)cc3)ccc2[nH]1,0,0,0,0
CC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0,0,0
Fc1cc(F)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1F,0,0,0,0
CCC1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c2cc(C)ccc2O1,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C(C)=O)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
CCn1cc(C(=O)O)c(=O)c2ccc(C)nc21,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(CC#N)CC1,0,0,0,0
Cc1ccc(-c2csc(NC(=O)CN3CCC(C(N)=O)CC3)n2)cc1,1,0,0,0
O=C(OCC1CCCO1)c1ccc2c(c1)N(Cc1ccccc1Cl)C(=O)c1ccccc1S2(=O)=O,0,0,0,0
COc1cc(C=CC(=O)OCc2c(C)noc2C)ccc1OC(F)F,1,0,0,0
CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCCC(F)(F)F,0,0,0,0
O=[N+]([O-])c1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3ccccc3Cl)o2)c1,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2cc(Cl)ccc12,0,0,1,0
CNC(=O)Cn1c(=O)n(C2CCN(C3CCCCCCC3)CC2)c2ccccc21,0,0,0,0
CC1(C)Cc2c(cnn2-c2ccc(F)cc2)C(NC(=O)CCCN2CCCCC2=O)C1,1,0,0,0
CCOC(=O)COc1c(OC)cc(Cl)cc1C1NC(=O)NC(C)=C1C(C)=O,0,0,0,0
CCCc1c(OCCCCOc2ccc(-c3nn[nH]n3)cc2)ccc2c1cc(C)n2CC(C)(C)C,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccccc2OCC)C1,1,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1OC,1,0,0,0
CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1,0,0,0,0
CC(=O)NC(C)c1ccc(-c2ccc(Oc3ccc(OC(C)C)cc3)nc2)cc1,0,0,0,0
CCN1C(=O)CC(c2ccc(OC(C)C)cc2)C1=O,0,0,0,0
Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3ccccc3)CC2)CC1,1,0,0,0
COc1ccc(C=CC(=O)OC2C(O)C(C)OC(OC3C4C=COC(OC5OC(CO)C(O)C(O)C5O)C4C4(CO)OC34)C2OC(C)=O)cc1,0,0,1,0
CC(C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
CCC(c1ccc(C#N)cc1)(c1ccc(C#N)cc1)n1cncn1,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(C(F)(F)F)cc2)CC1,0,0,0,0
Cc1ccc(C(=O)O)c(Oc2nc(Oc3cc(-c4cccc(CN)c4)ccc3N)c(F)cc2F)c1,0,0,0,0
COCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1ccccc1,0,0,0,0
C[C@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4cccc(F)c4)CC3)n2)CCN1,0,0,0,0
COC(=O)c1cc(COc2ccc3c4c(c(=O)oc3c2)CCC4)c(C)o1,0,0,0,0
CCCCN(C)CCCNC(=O)CC1Oc2ccccc2NC1=O,1,0,0,0
COc1cc([C@@H]2CCN(CC(N)=O)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOCC,1,0,0,0
CCCCN1C(=O)C(NC(C)=O)c2ccccc21,0,0,0,0
CCOc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F,0,0,0,0
CC1CN(Cc2ccc(Cl)o2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1,0,0,0,0
Cc1ccc(NC2CCCN(C(=O)CCC(=O)c3ccccc3)C2)cc1C,1,0,0,0
Cc1ccc(S(=O)(=O)c2cn(CC(=O)Nc3cccc(C)c3)c3cc4c(cc3c2=O)OCO4)cc1,1,0,0,0
O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(F)c4)CC3)cc2N1,0,0,0,0
Nc1nn(CCO)c2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,0,0,0,0
O=C(Nn1cnc2ccccc2c1=O)c1ccc(F)cc1Cl,0,1,0,0
CC(C(=O)O)C1CCC2(C)C3C(=O)C=C4C(CCC(=O)C4(C)C)C3(C)CCC12C,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(CCF)C(=O)C4)ncn3)c2c1,0,0,0,0
N#Cc1c(-c2ccc(Cl)cc2)c2c([nH]c1=O)-c1ccccc1OC2,0,0,0,0
COc1ccc(C(=O)/C=C/c2cc(C(=O)O)cc3c2OCOC3)c(O)c1,0,1,0,0
CCOC(=O)N(Cc1ccccc1)C(C(=O)O)C(C(=O)O)N(Cc1ccccc1)C(=O)OCC,0,0,0,0
CCc1ccc(S(=O)(=O)N[C@@H]2c3cc(C(=O)N4CCC[C@@H]4CNc4c(C)cccc4C)ccc3OC(C)(C)[C@H]2O)cc1,0,0,0,0
COc1ccccc1-c1nc(-c2ccc(Br)cc2)c(CC(=O)O)s1,0,0,0,0
CCCCNc1nc(SC)nc2c1cnn2CC(Br)c1ccccc1,0,0,0,0
CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(Cl)c(Cl)c4)c3c2)CC1,0,0,0,0
O=C(NCc1ccco1)C1CCN(c2ccc(N3CCOCC3)nn2)CC1,1,0,0,0
Clc1cccc(CSc2ccc(-c3cccnc3)nn2)c1,0,0,0,0
COc1cccc(-c2cc(NCc3cnc(C)cn3)ncn2)c1,0,0,0,0
COc1nc(C)nc2c1sc(=S)n2C,0,0,0,0
N#CC1(CCCN2CCC(O)(c3ccc(Cl)cc3)CC2)c2ccccc2CSc2ccccc21,0,0,0,0
Brc1ccc2c(c1)Oc1cc(Br)c(Br)cc1O2,0,0,0,0
CCCCCCOc1ccc(CN2CCN(CCO)CC2)cc1,1,1,0,0
COc1ccc(/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])cc1O,0,1,0,0
CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)C)C[C@@H]2c2cccc(F)c2)CC1,0,0,0,0
COc1ccc(-c2c(=O)n(OCc3nc4ccccc4[nH]3)c3ccccc3[n+]2O)cc1,0,0,0,0
CC1(C)c2cc(N3CCC(N4CCCC4)CC3)ccc2C(=O)c2c1[nH]c1ncccc21,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1,1,0,0,1
COCCN1C(=O)NC(c2ccccc2)C(C(=O)OC)=C1C,0,0,0,0
COc1ccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C(C)=O)cc3)=C2)cc1OC,1,0,0,0
CC(C)CC(NC(=O)C1(c2ccccc2)CCN(C(=O)C2CSCN2C(=O)OC(C)(C)C)CC1)C(=O)O,1,0,0,0
CCn1cc(CN2CCN(CCc3ccccc3)C(CCO)C2)c(C)n1,0,0,0,0
N#Cc1ccc([C@H]2CCCC[C@H]2O)cc1C(F)(F)F,0,0,0,0
NCc1ccnc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)c1,0,0,1,0
COc1ccccc1CN(Cc1nc(=O)c2ccccc2[nH]1)S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCC(N(C)C)CC2)cc1,0,0,0,0
CN1CCN(c2ccc(Nc3ncc4ccc(=O)n(-c5ccccc5)c4n3)cc2)CC1,0,0,0,0
Cc1cc(C)c2cc1C(=O)NCCNC(=O)CCCSc1cc-2nc(N)n1,0,0,0,0
O=C(Oc1cccc(-n2cnnn2)c1)c1ccccc1Cl,0,0,0,0
O=c1[nH]c(CCc2ncc(-c3ccsc3)[nH]2)nc2ccccc12,0,0,0,0
COC(=O)[C@@H](Cc1cc2ccnc(N)c2cc1Cl)N1CC[C@H](NS(=O)(=O)c2cnc(N3CCC3)s2)C1=O,0,0,0,0
CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)N3CCOCC3)ccc2c1=O,0,0,0,0
COc1cc2sc3cc(NCCCN4CCOCC4)ccc3c(=O)c2cc1OC,0,0,0,1
C=CCn1c(=O)n2ncnc2c2c3c(sc21)CCCC3,0,0,0,0
COc1ccc(C=NNC(=S)Nc2ccccc2)cc1,0,0,0,0
CCN1CC(=O)N2[C@H](c3ccccc3Br)c3[nH]c4ccccc4c3C[C@@H]2C1=O,0,0,0,0
CNC(=O)c1cn(C)c2c1C(C)(C)Cc1cnc(Nc3cccc(N4CCN(C)CC4)c3)nc1-2,0,0,0,0
C=CCOC(=O)C1=CC(c2cn(C(C)=O)c3ccccc23)CC(OCc2ccc(CO)cc2)O1,1,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(OC)c3)cn2CCN2CCC2)CC1,0,0,0,0
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3Cl)n(CCN3CCCC3=O)c2n1,0,0,0,0
Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(F)(F)F)c2)c1,0,0,0,0
CCOC(=O)N(CC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
COc1ccc(-n2c(=O)[nH]cc(C(=O)N3CCc4ccccc43)c2=O)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccccc2O)CC1,0,0,0,0
COc1cc(OC)cc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)c1,0,0,0,0
C=CCn1c(Oc2ccc(C=O)cc2OCC)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(N)=O,0,0,1,0
CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N1CCN(C(=O)c2ccco2)CC1,1,0,0,0
CCN(CC)c1ccc(C=C2SC(=O)N(C(C)C)C2=O)o1,0,0,0,0
CCNC(=O)c1cc2c(-c3cc(ONC4CCCCC4)c(Cl)cc3Cl)nc(N)nc2s1,0,0,0,0
O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1cccc(Cl)c1,0,0,0,0
Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4c(=O)n3CCCN(C)C)n2)cc1,1,0,0,0
CN1C(=O)C2C(C=Cc3ccccc3)N3C(=O)CN(CCO)C(=O)C3(Cc3ccccc3)C2C1=O,0,0,0,0
COc1ccc(Br)cc1CCc1c(Cl)cccc1C1=NCCN1,0,0,0,0
CCNc1nc(-c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)cc2ncn(C)c(=O)c12,0,0,0,0
COC(=O)c1ccc(C2(C)SC(=N[C@@H](C)c3ccc(F)cc3)NC2=O)cc1,0,0,0,0
Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(F)cc1F,0,0,0,1
CN(CCCN1CCC(N(c2ccccc2)c2ccccc2)CC1)c1cccc(O)c1,0,0,0,0
Cc1ccc2cc(-c3n[nH]c4ccc(NC5CCNCC5)cc34)[nH]c2c1,0,0,0,0
COCc1cc(C)nc2sc(C(=O)Nc3ccc(C(C)=O)cc3)c(N)c12,1,0,0,0
Cc1cc(C)c(NC(=O)C2CCN(C(=O)N3CC(C)Oc4ccc(Cl)cc43)CC2)c(C)c1,1,0,0,0
Clc1ccc(Cl)c(CN2CCN(c3nc4cncc(Cl)c4nc3NC3CC3)CC2)c1,0,0,0,0
COCCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
COc1ccc2oc(C(=O)OCc3c(C)noc3C)c(C)c2c1,0,0,0,0
CC1c2[nH]c3ccccc3c2CC2C(=O)N(CCCN(C)C)CC(=O)N21,0,0,0,0
Cc1cc(C)cc(NC2=C(NS(=O)(=O)c3ccccc3)C(=O)c3c(N)cccc3C2=O)c1,0,0,0,0
CN1CCN(C2=Nc3ccc(Cl)cc3Oc3c(F)cccc32)CC1,0,0,0,0
C=CCC1(C(C)C)C(=O)NC(=O)NC1=O,0,0,0,0
CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1)C2,0,0,0,0
CCNC(=S)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)cc1)C1CC1,0,0,0,0
C[C@]12Cc3cn[nH]c3C(=O)[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0,0,0,0
CCOC(=O)[C@@]1(C#N)C(c2ccc(Cl)c(Cl)c2)[C@H](C(N)=O)N2C=C(C(C)=O)C=C[C@H]21,1,0,0,0
O=C(C=Cc1ccco1)NC(=S)Nc1ccc(C(=O)O)cc1,0,0,0,1
COc1cc(CNC2CCCCCCC2)cc(Cl)c1OCC(N)=O,0,0,0,0
CC1(Nc2ncc(C(=O)NO)cn2)CCCCC1,0,0,0,0
CCCn1c(=O)c2nc(C3CCCCC3)[nH]c2n(Cc2ccc(S(=O)(=O)F)cc2)c1=O,0,0,1,0
CCC(C)(C)n1nnnc1C(c1ccc(C)cc1)N(Cc1ccco1)Cc1cccs1,0,0,0,0
O=C(OCc1ccccc1)c1c(Cc2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc12,0,0,0,0
CCOc1ccc(Br)cc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2cccc(F)c2)c2ccc(Cl)c(F)c2)CC1,0,0,0,0
CNC(=O)c1ncc(F)c(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1,0,0,0,0
Cc1cc(Nc2cc(F)ccc2C)n2nc(C)nc2n1,0,0,0,0
CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1)C(Cc1ccc(F)cc1)C(=O)O,0,0,0,0
Cc1ccccc1S(=O)(=O)c1cc2ccccc2nc1N,0,0,0,0
CC(C)N1CC(C(=O)Nc2ccc(Cl)cc2Cl)CC1=O,0,0,0,0
O=C(c1ccc(-n2cccc2)cc1)N1CCN(Cc2ccccc2)CC1,1,0,0,0
COC(=O)c1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(O)COCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1,0,0,0,0
CC(C)n1cnc2c(NCc3ccc(O)cc3)nc(N3CCNCC3)nc21,0,0,0,0
CCn1nc2c(c1Cc1ccccc1)C[C@H](N)C(=O)N2O,0,0,0,0
CC(C)CC(C(=O)NCC#N)c1cccc(-c2cccnc2)c1,0,0,0,0
CCCC(c1nnnn1C(C)(C)CC)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O,0,0,0,0
Cc1ccccc1Nc1nc(N)nc(CSc2nnc(-c3ccccc3)n2C)n1,0,0,0,0
Cn1cc(-c2cc(C#N)ccc2C2NC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC3)cn1,0,0,0,0
COc1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1,0,0,0,0
CC[C@@H]1C=C(C(=O)O)[C@H](c2ccc(Br)cc2)N1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCOC(=O)C1CCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)CC1,0,0,0,0
O=S(=O)(c1ccc(CO)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
Cc1cc2c(=O)[nH]cc(Cc3ccc(F)c(C(=O)N4CCCNCC4)c3)n2c1,0,0,0,0
Cc1cc2c(N)nc(N)nc2cc1-c1ccc(N)cc1,0,0,0,0
Cc1nc(NCCCC(C)(C)CO)cc(-c2ccc3ncsc3c2)n1,0,0,0,0
Fc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,0,0,0,0
Cc1ccc(NC(=O)Cn2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1,0,0,1,0
O=C1C(=O)N(c2ccccc2)C(c2ccccc2[N+](=O)[O-])/C1=C(\O)c1ccccc1,0,0,0,0
O=C(O)/C=N/OC(c1cccc(-c2ccccc2OCc2ccc3ccccc3n2)c1)C1CCCCC1,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CCN(c3ncc4ccccc4n3)CC[C@H]2C)c1,0,0,0,0
CC(C)CC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
O=C(O)c1cc(N/N=C/c2ccc(-c3ccc(F)cc3)o2)ccc1Cl,0,1,0,0
Cc1ccc(C=Nn2c(-c3cccs3)n[nH]c2=S)cc1,0,0,0,0
CC(Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCc2ccccc21,1,0,0,0
COc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)cc1,0,0,0,0
O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1/N=C/c1cccc([N+](=O)[O-])c1O,0,0,0,0
CS(=O)(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,0,0,0,0
CC(C)(O)[C@H]1C[C@@H](Nc2nc(NC3CCC3)[nH]c(=O)c2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O,0,0,0,0
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1ccc(C)cc1,1,0,0,0
Cc1ccccc1OCC(=O)NNC(=O)Nc1ccc(Cl)cc1,1,0,0,0
c1ccc2oc(-c3n[nH]cc3CN3CCC(N4CCSCC4)CC3)cc2c1,0,0,0,0
O=C(O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1,0,0,0,0
Cc1ccc2occ(-c3nn[nH]n3)c(=O)c2c1,0,0,0,0
CCCCCCCCn1sc2ccccc2c1=O,0,0,1,0
CC(C)c1csc(CN2CCCC(CCC(=O)NCc3ccccc3F)C2)n1,1,0,0,0
Cc1sc2nc(CSc3ccc([N+](=O)[O-])c(C(F)(F)F)c3)nc(O)c2c1C,1,0,0,0
COc1cccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c1,0,0,0,0
CC(=O)Nc1nc(C)c(C(C)(C)C)s1,0,0,0,0
CCOCCCn1c(SCC(=O)NCCCOC)nc2c(sc3ccccc32)c1=O,0,0,0,0
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cncnc4)ccn23)c1,0,0,0,0
CCCCC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccccc2)c2ccccc21,0,0,0,0
C=CCN1C(=O)CC[C@]2(C)C3CC[C@]4(C)C(C(C)CCCC(C)C)CCC4C3[C@@H](C)CC12,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccnnc3)n2)CC1,0,0,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2ccccc2O)cc1,0,0,0,0
COc1ccc(CCN2C(=O)CC(Cc3cccc(C)c3)C2=O)cc1OC,1,0,0,0
CC(=O)C(=CNc1ccc(OCc2ccccc2)cc1)c1ccccc1,1,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(C5(c6ccccc6)CC5)nc(N)n4)c3c2)cn1,0,0,0,0
N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCC2,1,0,0,0
Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cc5cccc(C)c5nc4C)CC3)nc2)c1,0,0,0,0
CCCCN(C)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0,0,0,0
COC(=O)C1(Cc2ccccc2)C2c3cc(C(=O)N4CCCC4)n(Cc4ccsc4Br)c3CC2CN1C(=O)c1ccccc1,1,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3c(F)cc(F)c(F)c3F)C2)nc(C)c1F,0,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2cccc(C(=O)O)c2)c(C(F)(F)F)n1,0,0,0,0
CC(C)(C#N)c1ccc(Nc2c(C(N)=O)cnc3ccc(-c4cnc5ccccc5c4)cc23)cc1,0,0,0,0
CCN(CC)C(=O)Cn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O,1,0,0,0
CCN(C(=O)OC(C)(C)C)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
CCCCN1CCN(Cc2ccc(OC)cc2)[C@@H](CCO)C1,0,0,0,0
CCNC(=O)n1cc(Cn2c(C(=O)CC)c(-c3ccccc3)c3cc(Cl)ccc3c2=O)cn1,0,0,0,0
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(N2CCOCC2)nc1OCCNS(=O)(=O)c1ccc(C)cc1,0,0,0,0
COc1ccccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(SC)cc1,0,0,0,0
CCOCCn1c(C(=O)C2CCN(CCC3(c4ccccc4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21,0,0,0,0
Cc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)NCCCn2ccnc2)cc1,1,0,0,0
CCn1ccc2ccc(-c3ccc([C@]4(C)CCNC4=O)c(=O)[nH]3)cc21,0,0,0,0
O=S(=O)(NCCOc1ccc2c(c1)C(C1(c3ccc(Cl)cc3)CC1)NCC2)c1cccnc1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1cccc(F)c1F)NC2,1,0,0,0
CC(C)(C)c1nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3F)cc2[nH]1,0,0,0,0
CCC(=O)NC(c1ccco1)c1cc(Cl)c2ccccc2c1O,0,0,0,0
Cc1ncc(CO)c(CNc2ccc(Oc3ccccc3)cc2)c1O,0,0,0,0
CCOC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc4c(cc3O)OCO4)CC2)cc1,0,0,0,0
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccccc1,0,1,0,0
COCCOc1ccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c2c1,0,0,0,0
C=CCn1c(-c2ccc(F)cc2)n[nH]c1=S,0,0,0,0
CN1C(=O)C(=CNCc2cccs2)C(=O)N(C)C1=O,0,0,0,0
Cc1cc2c(nc1C)CCCN2CC(O)CN1CCCc2nc(-c3ccc(Br)cc3)ccc21,0,0,0,0
O=C1OC(C=NNC(C[N+](=O)[O-])=Nc2ccc(Cl)cc2)c2ccccc21,0,0,0,0
Nc1nc2c(Cc3ccncc3)c[nH]c2c(=O)[nH]1,0,0,0,0
c1ccc(COc2ccc(OCCOCCn3cncn3)cc2)cc1,1,1,0,0
Cc1cnc2[nH]c(NC(=O)C(C)(C)C)nc(=O)c2n1,0,0,0,0
COC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
CCCNCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
COc1cc(C2c3c(c(C)c(C)oc3=O)Oc3c(C)c(C)oc(=O)c32)ccc1OS(=O)(=O)c1ccc(C)cc1,1,0,0,0
COc1cc(SC)ccc1C(=O)N(Cc1ccccc1)c1ccccc1,0,0,0,0
COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccccc3C)N3CCC[C@@]23C1=O,0,0,0,0
O=C(O)c1ccc(NCc2ccc(O)cc2)cc1,0,0,0,0
O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2ccc1c(F)c2,0,0,0,0
CC(=Nc1ccccc1)c1sc2ccccc2c1O,0,1,0,0
c1ccc(CCCNCCCc2ccccc2)cc1,0,0,0,0
CC(C)CCn1cnc2c(sc3nc4c(cc32)CSC(C)(C)C4)c1=O,0,1,0,0
CC(C)(O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CCCOP(=O)(OCCC)C(Nc1ccc(C(=O)O)cc1)c1ccccc1,0,0,0,0
Cc1c(C(=O)O)c(C(=O)O)nc2ccc(N3CCOCC3)cc12,0,0,0,0
CC(C)C(C(=O)Nc1ccc2c(c1)OCCOCCOCCOCCO2)N1C(=O)c2ccccc2C1=O,1,0,0,0
COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3)c2)CC1,0,0,0,0
N#Cc1ccc(SC2(C(=O)O)CCC2)c2ccccc12,0,0,0,0
O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1cc(Br)ccc1-2)N1CCOCC1,0,0,0,1
CCOC(=O)C=CC(=O)Nc1nccs1,0,0,0,0
COc1cccc(-c2nn(-c3ccccc3)cc2CO)c1,0,1,0,0
O=C(O)C(Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2,0,0,1,0
CC1(O)CC(c2cc(C(F)(F)F)ccn2)([C@H](O)c2ccccn2)C1,0,0,0,0
C[C@@H](OC[C@@]1(c2ccccc2)C[C@H](N2CCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
NC(=O)c1cccc(C2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCC2)C(=O)CO)c1,0,0,0,0
CC[C@@H](C1CCC(=O)O1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
CCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3,0,0,0,0
Cc1ccc(-c2nc3c(=O)n(C)c4ccccc4c3o2)cc1,0,0,0,0
CCCC1CCC(c2ccc(C(=O)NN)cc2)CC1,0,0,0,0
O=C1CC(C(=O)O)C2(CCCC2)O1,0,0,0,0
N#CC(=Cc1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1)C(=O)N1CCCCC1,0,0,1,0
N#Cc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(OC(F)(F)F)c1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)cc3)c12,0,0,0,0
CCN1C(=O)C=CC1=O,0,0,1,0
COC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,0,0,0,0
C=CCCCC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21,0,0,0,0
Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(-c2c(C)c(CC(=O)O)cc3ccc(Cl)cc23)cc1,0,0,0,0
COc1ccc(-c2c(C=O)c3cc(C#N)c(C#N)cc3n2OC)cc1,0,0,0,0
Cc1ccc(N2C(=O)N3C(c4cccc(C)c4)C4C(=O)N(Cc5ccccc5)C(=O)C4C3(C)C2=O)cc1,0,0,0,0
Fc1cc(F)cc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1,0,0,0,0
O=C(C(F)F)N1CCc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
[C-]#[N+]c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1,0,0,0,0
Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1cccc(N2CCOCC2)n1,0,0,0,0
COCCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Cl)cc12,0,0,0,0
Cc1ncnc(Nc2ccc(OCc3cccc(F)c3)c(Cl)c2)c1-c1cccc(CN2CCOCC2)c1,0,0,0,0
O=C(O)c1ccc(-c2cnc(N3CCOCC3)c3nc(C4CC(c5ccc6ccccc6n5)C4)cn23)cc1,0,0,0,0
Cc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1,0,0,0,0
CC(C)c1nn(C)cc1-c1nc2ncc(Br)c(N3CCN(Cc4cccnc4)CC3)c2[nH]1,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(N)=O)cc3-4)cc2)C1,0,0,0,0
C=CCn1c(SCCN2CCCCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
CCCN(C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1)c1ccccc1F,1,0,0,0
Cc1nc2cc(-c3ccccc3)sc2c(=O)n1N,0,1,0,0
O=[N+]([O-])c1ccc(C(O)CN2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1OC,0,0,0,0
Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccc(OC(C)C)cc2)cc1,1,0,0,0
COc1ccc2c(c1)CCC1C2=NN(C(C)=CC(C)=O)C1c1cccc(F)c1,0,0,0,0
Cn1cncc1C(OCc1ccc(C#N)cn1)c1ccc(C#N)c(-c2cccc3ccccc23)c1,0,0,0,0
O=C(N/N=C/c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12,0,1,0,0
CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1,0,0,0,1
CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCCNC(C)=O)c2ccccc23)cc1,0,0,0,0
CN1C(=O)CC[C@@]2(C)C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,0,0,0,0
Cc1ccccc1-c1nncc2cc(-c3c(C)ccc4c(NC5CC5)noc34)ccc12,0,0,0,0
COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(C(=O)O)ccc2C#N)c1,0,0,0,0
CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,1,0,0,0
Fc1ccc([C@@H]2CNCC[C@H]2c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)N(c2cccnc2)S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1,0,0,0,0
CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C,0,0,0,0
Cn1c(C=Cc2ccc(Cl)cc2)c([N+](=O)[O-])c(=O)n(C)c1=O,0,0,0,0
Cc1ccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)cc1,0,1,0,0
O=C(O)CCCC(=O)NNc1ncnc2ccccc12,0,0,0,0
COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1,1,0,0,1
COCOc1cccc2oc(-c3cn4nc(SC)sc4n3)nc12,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2cc(F)cc(F)c2)CC1,0,0,0,0
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1C,0,0,0,0
N#Cc1ccc(-n2nnc(COc3ccc([N+](=O)[O-])cc3C(F)(F)F)c2I)cc1C(F)(F)F,0,0,0,0
O=C(O[C@H]1C[N+]2(CCCc3cccs3)CCC1CC2)N(Cc1cccs1)c1ccccc1,0,0,0,0
CC(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0,0,0
CN1CC(C(=O)c2ccccc2)C(C(=O)c2ccccc2)C1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1C,0,0,0,0
O=C(c1ccc(I)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1,0,0,0,0
COCCCNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
O=C(c1cn(CC2CCOCC2)c2ccccc12)[C@@H]1CC12CCCCC2,0,0,0,0
CCOC(=O)c1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,1,0,0,0
CCC(CCC=C(C)C)C(=O)N(Cc1ccccc1)c1ccccc1,0,0,0,0
C[C@@H](NC(=O)C(C)(C)C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
CCOC(CC(=O)NNC(=O)c1c(-c2c(Cl)cccc2Cl)noc1C)OCC,0,0,0,0
CC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1,0,0,0,0
COC(=O)C1CCN(C(c2ccc(OC)c(OC)c2)C2Sc3nc(C)nn3C2=O)CC1,0,0,0,0
O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1OCc1cccc(Cl)c1,0,0,0,0
COCCN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cc1cc2c(c(Oc3cc(NS(=O)(=O)c4ccc(Cl)cc4)ccc3F)n1)C(=O)N(C(C)C)C2=O,0,0,0,0
CCc1ccc2c(COC(=O)C3CSC4(C)CCC(=O)N34)cc(=O)oc2c1,0,0,0,0
COc1cccc(N2CCN(C(=O)c3ccc(C[S+]([O-])c4ccc(Cl)cc4)o3)CC2)c1,1,0,0,0
CN(C)CCCNc1c2c(nc3cc(-c4cccc(F)c4)nn13)CCC2,0,0,0,0
NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccccc3)cn2CCN2CCC2)CC1,0,0,0,0
CC(C)OCCCNC(=O)CCCn1c(SCC(N)=O)nc2c(sc3ccccc32)c1=O,0,0,0,0
Cc1ccc2ccccc2c1CSc1nc(N)nc2c1ncn2CC(C)C,0,0,0,0
CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(Cl)c(F)c4)C3)n2)c1,0,0,0,0
O=C(c1ccc(C(=O)N2CCOCC2)nc1)N1CCOCC1,0,0,0,0
CS(=O)(=O)Nc1ccc(C2=NN(C(=O)CCCC(=O)O)C(c3ccco3)C2)cc1,0,0,0,0
CCCCS(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](CC)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
CCOc1cccc(C=NN2C(=O)CSC2=S)c1O,1,0,0,0
N#Cc1nc(NC[C@H](O)c2ccccc2)nc(N2CCNCC2)n1,0,0,1,0
Cc1ccc(-c2cc(C(F)F)nc(NCC3CCCO3)n2)cc1,0,0,0,0
Nc1ncc(-c2cc(N3CC(N4CCOCC4)C3)nc(C3CCCC3)n2)cc1OC(F)F,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(OCC(F)(F)F)c3)c12,0,0,0,0
CN(CCOc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO,0,0,0,0
CCc1ncccc1Oc1cc(CCCC(C)(C)O)cnc1NC(=O)NC,0,0,0,0
Cc1ccc(C)c(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1,0,0,0,0
COc1cc2c(cn1)OCC21C(=O)Nc2ccccc21,0,0,0,0
CO[C@H]1CC(C)(C)c2ccccc2[C@H]1Nc1cc(O[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)ncn1,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccccc2)C1,0,0,0,0
CC(=O)NCCCCc1cccc2c1SCCO2,0,0,0,0
COc1ccc2c(c1)CC/C(=C/c1ccco1)C2=O,0,1,0,0
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COC1=C(C)C(=O)CCC1)C2=O,0,0,0,0
CCCCN(CC)CCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1,0,0,0,0
COc1ncc(-c2nc(COc3ccc(OCC(=O)O)c(C)c3)oc2-c2ccc(OC(F)(F)F)cc2)cn1,0,0,0,0
N#CNC(N)=NCCCn1c(-c2cc3ccccc3s2)c(C2=C(C#N)C(=O)NC2=O)c2ccccc21,0,0,0,1
CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(N)=O)cc3)nc2n1,0,0,0,0
CC(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2,0,0,0,0
CNC(=O)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O,0,0,0,0
O=[N+]([O-])c1ccc(Sc2cccc3cccnc23)cc1,0,0,0,0
Nc1cc(=O)nc(SCc2ccc(Cl)cc2Cl)[nH]1,0,0,0,0
CCCn1c(SCC(=O)N2c3ccc(F)cc3CCC2C)nnc1-c1ccccn1,1,0,0,0
Cc1ccc(-c2cc(N)on2)cc1,0,1,0,0
COc1cc(N2CCC(N(C)C)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
O=C(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccco1,0,0,0,0
CCc1ccc(/N=C/C23c4ccccc4C(c4ccccc42)C2C(=O)N(c4ccc(OC)cc4)C(=O)C23)cc1,1,0,0,0
COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1COc1ccc(F)cc1,0,0,0,0
Cc1cc(Cl)cc2c1NC(=O)C21C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21,1,0,0,0
Cc1ccccc1-c1n[nH]c(=S)n1C,0,0,0,0
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(Cl)ccc2o1,0,0,0,0
NC(=O)c1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1,0,0,0,0
COc1ccc(C(=O)N2N=C(c3ccc(NS(C)(=O)=O)cc3)CC2c2cccs2)cc1,0,0,0,0
O=C(CCSc1ccc([N+](=O)[O-])c2nonc12)NCCO,0,0,0,0
COc1ccc(CNC2CCCCC2)cc1,0,0,0,0
COC(=O)c1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)cc1,0,0,0,0
Nc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2,0,0,0,1
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4O)cc32)cc1C,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccccc4C)cc(C)c3CC[C@@H]12,0,0,1,0
O=S(=O)(NCCc1ccc(Cl)cc1)c1cccs1,0,0,0,0
Cc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1,0,0,0,0
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cn3nc4ccccn4c3=S)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2cc(F)ccc2c1=O,0,0,0,0
CC(C)C(=O)N1c2ncnn2C2(CCCCC2)C2CCCCC21,0,0,0,0
COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1OC,0,0,0,0
COC(=O)c1c(C)noc1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,0,0,0,0
c1coc(-c2nc3c([nH]2)CCc2nonc2-3)c1,0,0,0,0
CC(C)(C)C(=O)Nc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1,0,0,0,0
COc1cc2c(cc1OCCN(C)C)ncc1c2c(-c2ccc(C#N)cc2)nn1C,0,0,0,0
CCN(CC)CCC(c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC,0,0,0,0
NC(=O)c1cc(F)cc2[nH]c(-c3ccc(C4CCCN4)cc3)nc12,0,0,0,0
COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1,0,0,0,0
CC1CCCCN1Cc1c(C#N)c2ccccc2n1C,0,0,0,0
CN(C)c1ncc(-c2nccnc2C2CN(c3ccc4ccccc4n3)C2)cn1,0,0,0,0
O=c1c2ccccc2sc2ccc(Cl)cc12,0,0,0,0
CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccccc3)cc21,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cc(Br)cc12,0,0,1,0
CC1CC(N(C(=O)CCCC(=O)O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1,0,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc(OC)c1,0,0,0,0
C=CCN=c1scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1O,1,1,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1N(CC)CC,1,0,0,0
CCOc1ccc(Nc2oc(-c3cccs3)nc2C#N)cc1,1,0,0,0
Oc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1,0,0,0,0
N#CCC(CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1c(F)cccc1F,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1Br,0,0,0,0
OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1,0,0,0,0
CCc1cc(OCCc2nc(-c3ccc(C#N)cc3)oc2C)ncc1CCC(=O)O,0,0,0,0
O=c1c2ccccc2sn1CCCc1cccc2ccccc12,0,0,1,0
CNC(=S)N1CCN=C1Nc1nc(C)cc(C)n1,0,0,0,0
CN1CCC(CCc2c[nH]c3ccccc23)CC1,0,0,0,0
O=S(=O)(c1ccc(Cl)s1)N1CCN(CC=Cc2ccccc2)CC1,0,0,0,0
CCOC(=O)c1nnn(-c2nonc2N)c1-c1cccc2ccccc12,0,0,0,0
CCCCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O,0,0,0,0
CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)NCCN(C)C)cc3[N+](=O)[O-])CC2)cc1,1,0,0,0
CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(OC(C)=O)C(=C1C)C2(C)C,1,0,0,0
Cc1c(F)ccc2[nH]c(C(=O)N3C[C@H]4CN(C)C[C@H]4C3)nc12,0,0,0,0
COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
O=c1nc(CO)[nH]c2c1oc1ccccc12,0,0,0,0
Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3c(F)cccc3Cl)cc2N)cc1,0,0,0,0
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1nn(-c2ccc(F)cc2)ccc1=O,1,0,0,0
Clc1ccc(C=NNC2=Nc3cccc4cccc2c34)cc1,1,0,0,0
CCOC(=O)C1=C(COC(=O)COc2ccccc2C(C)C)NC(=O)NC1C,0,0,0,0
O=C(CSc1nc(=O)c(S(=O)(=O)c2ccc(Br)cc2)c[nH]1)Nc1ccc2c(c1)OCCO2,1,0,0,0
Fc1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1,0,0,0,0
Cc1noc(COc2ccccc2OCc2onc(C)c2Cl)c1Cl,0,0,0,0
CSc1ccc(NC(=O)Nc2cc(C)ccn2)cc1,0,1,0,0
COc1cccc(CNC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)c1,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(N=Nc3cc(C)c(O)c(C)c3)cc2)nc1,0,0,0,0
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nc3cc(Cl)ccn3c2s1)C(=O)O,0,0,0,0
COc1ccc(N2CCN(CC(=O)Nc3c(C)cc(C)cc3C)CC2)cc1,1,0,0,0
CN(C(=O)CSc1cc(C(=O)c2nccn2C)c2ccccc2n1)c1ccccc1,1,0,0,0
C[C@H](Nc1ncnc2c(C(N)=O)cccc12)C1CCCCC1,0,0,0,0
Cc1nn(-c2ccccc2)c(OC(=O)C(C)(C)C)c1Sc1ccccc1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(C(C)(C)O)S1)c1ccccc1Cl,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc([N+](=O)[O-])cc3)c(O)c2n(CCC)c1=O,0,0,0,0
Cn1cc(-c2cc3c(-c4cccc(N5CCC[C@H](N)C5)c4)n[nH]c3cn2)cn1,0,0,0,0
Cc1ccc(-n2c(=S)[nH]c3[nH]ncc3c2=O)cc1,0,0,0,0
Cc1ccc(NCCc2ccc(C)nc2)cc1,0,0,0,0
CSc1nc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccccn2)cs1,1,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N1)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O,0,0,0,0
CCCC[C@@H]1C(=O)N[C@H](CO)C[C@]2(C)CC(CCCC)(CCCC)CC[C@@H]12,0,0,0,0
COc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1[N+](=O)[O-],0,0,0,0
O=S(=O)(Nc1ncn[nH]1)c1ccc(Cl)cc1,0,0,0,0
CCN(CC)C(=O)CSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3,1,0,0,0
Cc1ccc(-n2nc3c(N4CCC(C(=O)NCCc5ccco5)CC4)nnc(C)c3c2C)cc1,1,0,0,0
N#Cc1cccc(-c2nc3cnc(N4CCOCC4)nc3n(CC3CCCO3)c2=O)c1,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc(NN=c2c(=O)c3ccccc3c2=O)c1,0,0,0,0
CC#CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1ncc(C)c3ccccc13)c(=O)n2C,0,0,0,0
COc1cc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc(OC)c1OC,0,0,0,0
CCOc1cc(CN2CCC(Nc3nc4ccccc4o3)CC2)cc(OC2CCOCC2)c1,0,0,0,0
CCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CCC3)[nH]2)c(F)c1,0,0,0,0
CCOc1cc(C2C(C(=O)O)c3cc(OCC)c(OCC)cc3C(=O)N2C)ccc1O,0,0,0,0
O=[N+]([O-])c1c(Nc2ccc(-n3cncn3)cc2)ncnc1N1CCC(Sc2ccccn2)CC1,0,0,0,0
CCS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1,0,0,0,0
CCOc1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1,0,0,0,0
COc1ccccc1CNC(=O)C1CCCN1C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,1,0,0,0
Cc1noc(C)c1CSc1nnc2cc(C)c3ccccc3n12,0,0,0,0
O=C(O)c1ccc(NCc2ccc(Br)cc2)cc1,0,0,0,0
OC(CSc1ccccc1Cl)CN1CCN(c2ccc(F)cc2)CC1,0,0,0,0
CC1(C)CN=C(N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)S1,0,0,0,0
CCNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC)c3n2)cc1,0,0,0,0
COc1cccc(Cn2nc(C(=O)O)c3ccccc3c2=O)c1,0,0,0,0
CCC1(CC)OC(=N[C@@H](C)c2ccccc2)NC1=O,0,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(Oc5ccc(F)cc5)ccc4c3=O)cn2)C1,0,0,0,0
Cc1ccc(C(=O)c2nc(C(F)(F)F)nc3ccsc23)o1,0,0,0,0
C[C@]1(C#N)CC[C@H](F)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CCSC1=C(c2ccc(O)cc2)C(=O)c2ccc(O)cc21,0,0,0,0
O=C1Nc2ccc(N3CCNCC3)cc2OCc2cc(-c3ccc(Cl)cc3)oc21,0,0,0,0
COc1cccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c1,0,1,0,0
COCCn1c(C)cc(O)c(C(c2ccccc2)N2CCC(C)CC2)c1=O,0,0,0,0
O=c1ccc2c(OCCCCOc3ccc([N+](=O)[O-])cc3)c3ccoc3cc2o1,0,0,0,0
COc1cc2c(cc1OC)C(=O)N1[C@H]3c4ccccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2,0,0,0,0
C=CCN1C(=O)/C(=C2/Sc3ccccc3N2C)SC1=Nc1c(C)n[nH]c1C,0,0,0,0
COc1ccc(-c2nnc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)n2-c2ccccc2)cc1,1,0,0,0
CCn1cc(CNCc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)cn1,0,0,0,0
O=C(COc1ccccc1F)N/N=C1\CCCc2ccccc21,0,1,0,0
CCOc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,1,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(OC)cc2)c1,0,0,0,0
COc1ccc(C2C3=C(CCCC3=O)N=C3NN=C(C)C32)cc1OC,0,0,0,0
O=C1Cc2c3cn(O)ccc-3nc2-c2ccccc2N1,0,0,0,0
Cc1c(O)c2c(=O)n(-c3ccccc3)c(-c3ccccc3)cc2oc1=O,1,0,0,0
CCCC(C)(C)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
COc1cc(OCc2csc(-c3cnco3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CCCS(=O)(=O)NC(=O)C1(C)CCN(C(=O)c2cccc(C)c2C)C1,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccc(OC)cc23)C1,0,0,0,0
Oc1ccccc1N=Cc1sc2ccccc2c1Cl,0,1,0,0
CN(C)c1ccc(C=NNC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1,1,0,0,0
CC1=C(C(=O)OCC2CCCCC2)C(c2ccc(F)cc2F)CC(=O)N1,0,0,0,0
CC(Nc1nc(=NC2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccc2c(c1)OCCO2,0,0,0,0
C=CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1,0,0,0,0
COc1cccc(-n2c(-c3ccccc3F)nc3c(cnn3-c3ccc(C)cc3)c2=O)c1,0,0,0,0
CCS(=O)(=O)N1CCN=C1SCc1ccccc1,0,0,0,0
COC(=O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,0,0,0,0
S=C1NC2(CCCCC2)NN1c1ccccc1,0,0,0,0
COc1cccc(/C=C2\Sc3ccc(C(=O)NCc4cccnc4)cc3N(C)C2=O)c1,0,0,0,0
CC[C@@H](Nc1c(Nc2ccc(Br)c(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
Cn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Nc3ccccc3)nc21,1,0,0,0
Cc1onc(-c2cccc(Cl)c2)c1-c1ccccc1,0,0,0,0
CCOc1ccccc1C(=O)N1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1,1,0,0,0
CS(=O)(=O)N1Cc2cccc(c2)C(=O)N2CCc3cc(ccc32)Nc2ncc(C(F)(F)F)c(n2)NCc2cccnc21,0,0,0,0
O=C(COc1cccc2c1CCN(Cc1ccc(Cl)cc1)C2=O)N1CCOCC1,1,0,0,0
c1ccc(CN2CC[C@@H](CNCc3csc(-c4ccccc4)n3)C2)cc1,0,0,0,0
COc1cncc(-c2cccc(C3(c4ccsc4)N=C(N)N(C)C3=O)c2)c1,0,0,0,0
O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1,1,0,0,0
CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1,0,0,0,0
CC(C)(CNC(=O)C(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
N#CNC(=NCc1ccc(S(=O)(=O)C2CCCCC2)cc1)Nc1ccncc1,0,0,0,0
O=c1cc[nH]c(SCc2ccc(Cl)cc2)n1,0,0,0,0
C[C@@H]1CC[C@H]2C(=O)N3[C@@H](CC[C@@H](C)[C@@H]3c3ccc(Br)cc3)C(=O)N2[C@H]1c1ccc(Br)cc1,0,0,0,0
CCOc1ccccc1OCC1CNCCO1,0,0,0,0
CCC(=O)C1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1,0,0,0,0
Cc1n[nH]c(=O)c2c1nnn2Cc1ccc(F)cc1,0,0,0,0
Cc1nc(-c2nc(N)c3nnn(CC4CCCCO4)c3n2)cs1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ncccc2F)CC1,0,0,0,0
O=C(O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)cn2)cc1,0,0,0,0
Clc1cccc(Nc2[nH]nc3ncnc(Nc4ccccc4)c23)c1,0,0,0,0
CCC1(CCCCN2CCN(c3cccc(OC)c3)CC2)C(=O)Nc2ccccc21,0,0,0,0
Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)CC(c1ccc(F)cc1)C2,0,0,0,0
Cc1ccc(N2CC(=O)N(c3ccc(C)cc3)CC2=O)cc1,0,0,0,0
CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCC#N)c2n1,0,0,0,1
COc1cc(CN2C(=O)C(C)CC2c2c(OC)cccc2OC)ccc1OC(F)F,0,0,0,0
CCCOc1ccc(Cl)cc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
CN(C)CCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,0,0,0,0
CN1/C(=C/C2CC(=O)N(c3cccc4ccccc34)C2=O)C(C)(C)c2ccccc21,1,0,0,0
COCCCNc1nc2nonc2nc1N1CCC(C(C)N2CCOCC2)CC1,0,0,0,0
Cc1ccccc1S(=O)(=O)Nc1cccc(-c2ccc(C(=O)c3cccc(O)c3)s2)c1,0,0,0,0
COc1ccc(NC(=O)COc2ccc(C(=O)OCC(=O)N(C)C3CCS(=O)(=O)C3)cc2OC)cc1,1,0,0,0
CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN,0,0,0,0
OC(c1ccccc1)(c1ccc(Cl)cc1)C1CN2CCC1CC2,0,0,0,0
CCS(=O)(=O)c1ccc(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)cc1,0,0,0,0
O=[N+]([O-])c1ccc(SCCCCO)c2nonc12,0,0,0,0
CS(=O)(=O)c1ccccc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1,0,0,0,0
Fc1ccc(-c2nc(CCc3ccccc3)[nH]c2-c2ccncc2)cc1,0,0,0,1
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(OC)cc1,0,0,0,0
Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2,0,0,1,0
O=C(C=Cc1ccco1)NCC1CCN(c2ccccn2)CC1,0,0,1,0
Fc1cccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c1,0,0,0,0
COc1cc(CN(Cc2ccc3c(c2)CCO3)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
C=CCN1C(=O)C(=C2Sc3ccccc3N2C)SC1=Nc1c(C)n[nH]c1C,1,0,0,0
CC1(C)OC(C(F)(F)F)Nc2ccc(-c3csc(C#N)c3)cc21,0,0,0,0
COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(-c3cccs3)c2)cc1C,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccco2)c1,1,0,0,0
COc1ccc(N2C(=O)CSC23CCC(C(C)(C)C)CC3)cc1,1,0,0,0
COc1ccc(CS(=O)(=O)C(C)(Cc2ccccc2)C(=O)NO)cc1,0,0,0,0
CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2CC2CC2)cn1,0,0,0,0
CCOC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1,0,0,0,0
O=C1C(Cl)=C(N2CCN(c3ccccc3[N+](=O)[O-])CC2)C(=O)c2ccccc21,1,0,0,0
CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1C,0,0,0,0
Cc1sc2nc(C)n(/N=C/N(C)C)c(=O)c2c1C,0,0,0,0
O=C(O)CC1SC(=N/N=C/C=C/c2ccccc2)NC1=O,0,0,0,0
COC(=O)/C=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
CCCN(CCC)c1ccc(-c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2-c2ccc(NC)cc2)cc1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2C(F)(F)F)CC1,0,0,0,0
COC(=O)c1cc(C(=O)OC)cc(N2C(=O)CC(Sc3nc(C)cc(C)n3)C2=O)c1,0,0,0,0
CCOc1ccc(OCC)c(Nc2cc(C)nc3nc(C)nn23)c1,1,0,0,0
CCOC(=O)Cc1c(C)nc(Cc2ccc(OC(C)C)cc2)[nH]c1=O,0,0,0,0
CC(C)(O)Cn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21,0,0,0,0
CC(C)CN1CCN(c2nc(-c3ccnc(NC4CCOCC4)c3)cc3cnccc23)CC1,0,0,0,0
CCOc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4cccc(C)c4)cnn32)cc1,1,0,0,0
OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(CCc4ccc5c(c4)CCO5)c23)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CCC(C)C)CC1,1,0,0,0
Cc1nc(-c2ccc(Cl)cc2)sc1COc1ccc2c(c1)OCC2CC(=O)O,0,0,0,0
Cc1ncsc1C(=O)N(Cc1c[n+]([O-])cc2c(F)c(F)ccc12)c1cccc(Cl)c1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)c2)s1,0,0,0,0
Cc1ccccc1N1CCc2nc(-c3c(C)cccc3C)nc(N3CCOC(C)(C)C3)c2C1,0,0,0,0
CCCOC(=O)c1ccc(Oc2c(-c3ccc(O)cc3O)n[nH]c2C)cc1,0,0,0,0
O=C(O)c1cc(N(Cc2ccccc2O)Cc2cc(O)ccc2O)ccc1O,0,0,0,0
CCCn1c(/N=C/c2ccc(Br)cc2)c(C#N)sc1=S,0,0,0,0
Cc1c(C(=O)O)c(-c2ccccc2)nn1-c1ccccc1,0,0,0,0
O=C1OCCC1=Cc1ccccc1,0,0,0,0
CCOC(=O)c1ccc(N2C(=O)CC(N3CC=C(c4ccc(F)cc4)CC3)C2=O)cc1,1,0,0,0
CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3[N+](=O)[O-])coc2c1,0,0,0,0
COc1ccc(-c2nc(NC(=O)c3ccc(OCC(=O)N4CCOCC4)c(OC)c3)sc2C)cc1,1,0,0,0
Nc1cc(C(F)(F)F)c(-c2nc(N3CCOCC3)c3ccc(Nc4ccncc4)cc3n2)cn1,0,0,0,0
O=c1c2ccccc2nc(SCc2cn3ccsc3n2)n1-c1ccccc1F,0,0,0,0
O[Si@](CCCN1CCCCC1)(c1ccc(F)cc1)C1CCCCC1,0,0,0,0
Cc1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1,0,0,0,0
Cc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cccc(C#N)c3)C2)nc(C2CC2)c1F,0,0,0,0
Cn1cc(-c2cc(-c3nc4ccccc4[nH]3)c(=O)[nH]n2)ccc1=O,0,0,0,0
COc1ccc(Cn2c(CCC(=O)N3CCN(c4ccccn4)CC3)nc3ncccc3c2=O)cc1,1,0,0,0
CC1CC(c2c(F)cccc2OCCO)N(Cc2ccc(OC(F)(F)F)cc2)C1=O,0,0,0,0
CCOc1ccccc1Oc1coc2cc(O)ccc2c1=O,0,0,0,0
NC(=O)C1CCC(CNc2nc(NCc3ccccc3)cc(-c3cc4ccccc4o3)n2)CC1,0,0,0,0
CSc1nn2cc(-c3nc4cc(OC(F)(F)F)ccc4o3)nc2s1,0,0,0,0
CCN(C)C[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,0,0,0,0
O=C(CN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccccc1)NCc1cccnc1,1,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCO[C@@H](C)C4)ncn3)c2c1,0,0,0,0
Cn1ccnc1C(O)C1CCCN(c2ncnc3cc(N4CCOCC4)ccc23)C1,0,0,0,0
O=C(O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)CS2,0,0,0,0
c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5ccccn5)n[nH]4)CC3)cc2)cc1,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccc(OCC)cc2)C1,0,1,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3)C2)nc(C)c1F,0,0,0,0
CCOc1ccc(Nc2nnc(SCc3nc4ccccc4c(=O)[nH]3)s2)cc1,0,0,0,0
O=C(O)c1ccc(N=NN2CCCCCC2)cc1,0,1,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(N(C)C(C)C)cc2)c1C,0,0,0,0
CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1,0,0,0,0
COc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N(C)C)o1,0,0,0,0
O=C(NCc1ccccc1)c1ccc2c(c1)nc1n2CCCCC1,0,1,0,0
COCCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
COC(=O)c1ccccc1N=C(S)N(Cc1ccc2c(c1)OCO2)Cc1cc2ccc(C)cc2nc1O,1,0,0,0
CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)C1,0,1,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1,0,0,0,0
O=C(c1ccccc1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
O=C1C(NCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)=CC(=O)c2c(O)cccc21,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC(F)(F)F)cc3)c12,0,0,0,0
COc1n[nH]c(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCC2)n1,0,0,0,0
CCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1,0,0,0,0
Cc1ccccc1N1CCN(c2ccccc2NC(=O)/C=C\C(=O)O)CC1,0,0,0,0
COCc1cc(C)nc(OCC(=O)NN=Cc2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c1C#N,1,0,0,0
Cn1nccc1-c1cc(F)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl,0,0,0,0
O=C(NCCO)c1cccc(-c2cccc3cn(Cc4cccc(C(F)(F)F)c4)nc23)c1,0,0,0,0
COc1ccnc(Nc2cc(C)cc(-c3ccc(CCC(=O)O)cc3)c2)n1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)COC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
CCCC1=Nc2cc(C(=O)N3CCC(C)CC3)ccc2Sc2ccc(C)cc21,0,0,0,0
COC(=O)c1ccc2c(=O)n(NC(C)=O)c(=S)[nH]c2c1,0,0,0,0
CC1CCc2sc(C(=O)OCC(=O)NC(C)C)cc2C1,0,0,0,0
CC1(C)Oc2ccc3ccc(=O)oc3c2C(/C=N/O)C1=O,0,0,0,0
O=c1[nH]c(SCCCCCCCCc2cccc(Cl)c2)ncc1Cc1cccnc1,0,0,0,0
S=C(NN=Cc1ccc(Br)cc1)N1CCCCC1,0,0,0,0
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1Cl,0,0,0,0
CCOC(=O)C1CCN(C(=O)CCCOc2ccccc2)CC1,0,1,0,0
O=C1C2C(C(=O)N1/N=C/c1ccco1)C1C=CC2C12CC2,0,0,0,0
CC1=C(C(N)=O)C(c2ccccc2F)NC(=O)N1,0,0,0,0
CCN(CC)Cc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
CC(C)(O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Fc1cc(Cc2c[nH]c3ncc(Cl)cc23)cnc1NCc1ccc(C(F)(F)F)nc1,0,0,0,0
CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21,0,0,0,0
COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(O)cc3)[nH]2)cc1,1,0,0,0
C=CC(=O)Nc1ccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCOCC5)cc4)nc32)cc1,0,0,1,0
C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccccc2C(F)(F)F)C3)c1C,0,0,1,0
CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
CCOc1cc(C2NC(=O)N(C)C(C)=C2C(=O)OC)cc(Br)c1O,0,0,0,0
O=C(O)c1cc(S(=O)(=O)Nc2ccc(Oc3cccc(Br)c3)cc2)c2ccccc2c1O,0,0,0,0
COc1cccc(CNc2nc3[nH]c(C)c(Cl)c(=O)n3n2)c1,0,0,0,0
Oc1ccc2c3c1O[C@H]1c4c(c(-c5ccccc5)cn4Cc4ccccc4)C[C@@]4(O)C(C2)N(CC2CC2)CC[C@]314,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C,0,0,0,0
COc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2c(Cl)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
CC1(C)CC(=O)c2c(n(-c3cccc4ccccc34)ccc2=O)C1,0,0,0,0
Cc1nonc1OCCNCc1c(C(=O)N2CCCCCCC2)nc2ccc(Cl)cn12,1,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1C,0,0,0,0
Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(N3C(=O)OC[C@H]3C(C)C)c2)nc1,0,0,0,0
CC(C)Cn1cnc2c1c(=O)n(CC(=O)NN)c(=O)n2Cc1ccccc1,0,0,0,0
CCC1=Nc2cc(C(=O)N3CCCCC3)ccc2Sc2ccc(C)cc21,1,0,0,0
CCOC1=CC(=Cc2c(-c3ccccc3)[nH]oc2=O)C=C(Br)C1=O,0,0,0,0
CC(C)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
CCc1nn2cc(-c3nc4ccc(OC(C)C)cc4o3)nc2s1,0,0,0,0
CC(C)CCn1c(=O)c(C(=O)N/N=C/c2cccc(F)c2)c(O)c2ccccc21,1,0,0,0
COCCN1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C)c5)cc3)CC4)cn2)CC1,0,0,0,0
CC(=O)c1ccc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)cc1,0,1,0,0
Cc1ccc(OCC(=O)Nc2nnc(S(=O)(=O)N3CCCCC3)s2)cc1,0,0,0,1
CCNC(=S)/N=C(\N)Nc1nc(C)c2cc(C)ccc2n1,0,1,0,0
CCC(C)Cc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
Cc1ccc(N(Cc2ccccc2)C(=O)c2cccc(F)c2)cc1,0,1,0,0
CCCCc1cc(=O)c(=O)[nH][nH]1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(CCN2CCOCC2)C1c1ccccc1,0,0,0,0
Cc1cc(OCCN(C)C)nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc12,0,0,0,1
N#Cc1c(-c2ccccc2)cc(-c2ccccc2)nc1SCc1nnc(-c2ccccc2)o1,1,0,0,0
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(C)cc2)cc1,1,0,0,0
CCn1c(-c2ccccc2O)n[nH]c1=S,0,0,0,0
OCCNc1nc(Nc2ccccc2)nc2ccccc12,0,0,0,0
Nc1sc(-c2cncnc2)c2c1C(=O)c1ccccc1-2,0,0,0,0
O=c1c(Cc2ccc(F)cc2)c(O)ccn1CCCn1ccnc1,0,0,0,0
Cc1ccc(Nc2c(-c3ccccc3)nc3cnccn23)cc1,0,0,0,0
CN(C1CCC([C@H](N)Cc2cc(F)ccc2F)CC1)S(=O)(=O)c1ccc(-c2csnn2)cc1,0,0,0,0
c1cn(Cc2ccc(-c3cncnc3)nc2)cn1,0,0,0,0
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0,0,0
CC(C)c1ccc(NC(=O)c2ccc(NC3=NC4CS(=O)(=O)CC4S3)cc2)cc1,1,0,0,0
CN1C(=O)N(C)C2C1N(C)S(=O)(=O)N2C,0,0,0,0
CC(=O)N(CC1CCCO1)c1nnc(-c2ccccn2)s1,0,0,0,0
CN(C)C1(c2ccccc2)CCC(C(=O)c2cc3ccccc3n2C)(N2CCCC2)CC1,0,0,0,0
CCSc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CN(C)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0,0,0,0
CC(=O)c1cccc(NC(=S)Nc2cccc3ccccc23)c1,0,0,0,0
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)cc1,0,0,0,0
CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1sccc1Cl,0,0,0,0
CCC(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1,0,0,0,0
COc1ccc(-c2csc(CCn3[nH]c(C)cc3=O)n2)cc1,1,0,0,0
CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3ccccc3)C(c3cccs3)C2)cc1,0,0,0,0
CCCCCCC1CC(C)(C(=O)CNc2nncs2)OC1=O,0,0,0,0
CC(=O)N1CCc2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc3n2C)C1,0,0,0,0
COCCn1c(=O)c(-c2ccccc2)nc2cnc(N(C)C)nc21,1,0,0,0
O=C(O)COc1ccc2c(c1)OC(=Cc1ccco1)C2=O,0,0,0,0
CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CCCN(S(=O)(=O)c2ccccn2)CC1=O,0,0,0,1
O=C(O)c1ccc(-c2ccc(C=C3SC(=O)N(c4ccccc4)C3=O)o2)cc1,1,0,0,0
Cc1c(Oc2cncc(C#N)c2)ncnc1OC1CCN(C(=O)OC(C)C)CC1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(C)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC1(C)CC(=O)C=C(NC2CCCC(O)C2)C1,0,0,0,0
COc1cc(OC)c2nc(-c3cn4nc(SC)sc4n3)oc2c1,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(C#N)c1,0,0,0,0
OC(COc1cccc(-c2cc(OC(F)(F)F)ccc2Cl)c1)CN1CCc2ccccc2C1,0,0,0,0
NNc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3,0,0,0,0
Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C,0,0,0,0
O=c1nc[nH]c2scc(-c3ccccc3)c12,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(NS(=O)(=O)C(C)C)cc(OC(F)F)c2)n1,0,0,0,0
Cc1nccc2nc3[nH]c(=O)sc3cc12,0,0,0,0
CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1,0,0,0,0
CCOC(=O)c1sc(NC(=O)CCC(=O)O)nc1C,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(Br)cc2)C1,0,0,0,0
COc1cc(N2CCOCC2)ncn1,0,0,0,0
COC(=O)C1=C(C)N(Cc2cccnc2)C(=O)C1,0,0,0,0
COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC(C)CN(C)C)c2ccccc2F)c(OC)c1,0,0,0,0
CCOC(=O)c1c(N2C(=O)Nc3ccccc3N2O)sc2c1CCCC2,0,0,0,0
O=C1NNc2c3c(nc4c(Cl)ccc1c24)CCCC3,0,0,0,0
COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc(C)c2C)cc1,1,0,0,0
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2C#N)cn1,0,0,0,0
CCCSc1nnc2[nH]c(=O)cc(N)n12,0,0,0,0
CCOC(=O)CC(NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C)c1ccc(C)cc1,0,0,0,0
CCOc1ncccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1,1,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccccc1F,0,0,0,0
Cc1noc(C)c1C(=O)N1CCCC2(CCN(Cc3ccccc3)C2)C1,0,0,0,0
CN1C(=O)NC(=O)C12CCN(C(=O)N[C@@H]1CC[C@@H](c3cccc(F)c3F)CN(CC(F)(F)F)C1=O)CC2,0,0,0,0
Cc1cc(OC(F)F)cnc1N1CCOc2cc(S(=O)(=O)Nc3nccs3)ccc21,0,0,0,0
S=C(Nc1ccccc1)Nc1ccc(OCc2ccccc2)cc1,1,0,0,0
C=CCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4CC)cc3o2)cc1,0,0,0,0
COc1ccc(CNc2cc([N+](=O)[O-])ccc2OC)cc1,0,0,0,0
Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(CC(C)C)n1,0,0,0,0
COc1ccc(CCNCc2ccc(OCc3ccccc3)cc2)cc1,0,0,0,0
Cc1c(Cl)cccc1NC(=S)N(Cc1ccco1)C(C)c1ccccn1,0,0,0,0
C=C(F)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
O=C1OC2(CCN(c3nc4ccc(F)cc4[nH]3)CC2)CN1c1ccccc1,0,0,0,0
CC(C)C1Cc2[nH]c(=O)c(C(=O)O)cc2CO1,0,0,0,0
Cc1ccc(C(=O)Nn2cnc3ccccc3c2=O)cc1C,0,1,0,0
N#Cc1ccc(-c2ccc(C(=O)N(Cc3ccccc3-c3ccc(C#N)cc3)c3ccc(N4CCNCC4)cc3)o2)cc1,0,0,0,0
CC(Oc1c(Cl)cccc1Cl)C1=NCCN1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2cccc(Br)c2)c[nH]1,0,0,0,0
COc1ccc(Cn2cnnc2-c2ccc3nc[nH]c3c2)cc1,0,0,0,0
CC(=O)C1=C(C)NC(=O)NC1c1cc(Br)ccc1OCC(N)=O,0,0,0,0
Clc1ccc2nc(-c3ccncc3)cc(-c3ccccc3)c2c1,0,0,0,0
COc1ccc(OCCSc2ncn[nH]2)cc1,0,1,0,0
O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(Br)Br)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
Cc1ccnc(NC(=O)Nc2ccc(F)cc2)c1,0,1,0,0
O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1Cl,1,0,0,0
Cc1noc(C)c1CSc1nnc2c(C)cc3ccccc3n12,1,0,0,0
O=C1COc2ccc(C3(O)c4ccccc4C(=O)N3Cc3cccc([N+](=O)[O-])c3)cc2N1,0,0,0,0
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1CC=CCC1C(=O)O,1,0,0,0
COc1ccccc1Nc1ccc(C(=O)N2CCC(N3CCCCC3)CC2)cc1Cl,0,0,0,0
COc1cc(S(=O)(=O)NCc2ccncc2)c(OC)cc1Br,0,0,0,0
CS(=O)(=O)NCCCCCNc1nc(-c2cccs2)cs1,0,0,0,0
CCCCNC(=O)C1CCC(CNc2c(N3CCC(C)CC3)c(=O)c2=O)CC1,0,0,0,0
O=C1[C@H]2[C@@H]3[C@@H](O)[C@H](O)CC(=NOCc4ccccc4)[C@H]3CC[C@H]2C(=O)N1C1CCCCC1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(F)c(F)c2)CC1,0,0,0,0
CCCN(Cc1ccccc1)C1Cc2cccc3[nH]c(=O)n(c23)C1,0,0,0,0
O=C1COc2ccc(Cl)cc2CNC(=O)[C@@H]2CCCN2C(=O)C(C2CCCCC2)NC(=O)CCN1,0,0,0,0
Clc1cnc2nc1NCc1cc(ccc1-c1ccccc1)OCCCc1cccc(c1)N2,0,0,0,1
c1ccc(CCNc2nc(-c3ccc4[nH]ncc4c3)cs2)cc1,0,0,0,0
C=CC(=O)N1CCN(c2nnc(-c3ccccc3)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1,0,0,1,0
COc1ccccc1NC(=O)Cn1c(=O)oc2ccccc21,1,0,0,0
N#Cc1cc(-c2ccnc(Nc3cnn(CC(F)F)c3)c2)ccc1OC1CCOCC1,0,0,0,0
CCC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCC1,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(Cl)cc3)cncc21,0,0,0,0
CN(C)[C@H]1CN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC[C@@H]1O,0,0,0,0
CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)N(C)C,0,0,0,0
CC(C)CNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
Cc1ccc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)cc1,0,0,0,0
Cc1ccc(COc2ccc3nc(C4CCCC[C@@H]4C(=O)O)n(Cc4ccc(N5CCC(F)(F)C5)cc4)c3c2)nc1,0,0,0,0
CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N,0,0,0,1
COC(=O)C(CCCN=C(N)N)NC(=O)CCCc1c(-c2ccccc2)[nH]c2c(F)cc(F)cc12,0,0,0,0
N#Cc1c(Cl)nc(SCc2ccccc2)nc1-c1ccccc1,0,0,0,0
CCOc1cccc(C2NCc3ccccc3-n3cccc32)c1O,0,0,0,0
Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(Cl)s3)nc2c1,0,1,0,0
CCCCCc1c(-c2ccc(N(C)C)nc2)nc2ncnc(N)c2c1-c1cccc(Br)c1,0,0,0,0
NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)CCC1,0,0,0,0
O=C1c2c(F)cc(C3CC3)cc2OCCN1c1cccc(-c2ccnc3[nH]c(C4=CCN(C5CCOCC5)CC4)cc23)c1CO,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
CC(N)C(=O)NC1CCC(Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
Cc1cc(Cl)ccc1OCCCC(=O)N1CCCCC1,1,1,0,0
CCN(CC)c1nc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12,0,1,0,0
O=C1NC2CCCCCC2N1c1nc2ccc(F)c(F)c2o1,0,0,0,1
Nc1ccccc1C(=O)NNc1c2ccccc2nc2ccccc12,0,1,0,0
Cc1sc2nc(SCC(=O)N(C)C)[nH]c(=O)c2c1C,0,0,0,0
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(CO)o2)CC1,1,0,0,0
Cn1c(-c2cccc(Br)c2)cnc1NCc1cccc(F)c1,0,0,0,0
C/C(=N\Nc1ccccn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0,0,0
O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NNC(=O)c1cccnc1,1,0,0,0
CC1CN(Cc2ccc(N(C)C)nc2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1,0,0,0,0
COc1cc2c3cc1Oc1cccc(c1)CCN(C1CCCCC1)C(=O)CC[C@@H](C1CCCCC1)N(C3)C(N)=N2,0,0,0,0
Cc1c(C(=O)N2CCc3ccccc3C2)oc2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc12,1,0,0,0
CN(C)C1CCC(CNc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
CC(C)n1nc(-c2cnc(N)c(C(F)F)c2)cc1C(C)(C)C#N,0,0,0,0
N#Cc1c(N2CCCC2)nsc1-c1ccccc1,0,1,0,0
CCOc1ccc(Nc2nc3ccccc3n3cnnc23)cc1,1,1,0,0
CCCCCC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2Cl)CC1,0,0,0,0
CCSc1nnc2c(n1)OC(c1ccccn1)N(C(C)=O)c1ccccc1-2,0,0,0,0
CCOc1ccc(N2CSC(=S)N(c3ccc(OCC)cc3)C2)cc1,0,0,0,0
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C)o3)c2)cc1,1,0,0,0
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(OC(F)F)cc1)CCC2,0,1,0,0
CCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,0,0,0,0
CN1C(=O)C(CCC(N)=O)NC1=S,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N(C)CCc2ccc(OC)c(OC)c2)nc1,1,0,0,0
O=c1c2c(nc3cc(-c4cccc(F)c4)[nH]n13)CCC2,0,1,0,0
Cc1ccccc1C(=O)NNC(=O)C1(C(=O)N[C@H]2CC(=O)OC2O)CCC1,0,0,0,0
COCCN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cc(CO)ccc1C,0,0,0,0
Cc1ncc(C[n+]2ccc(C)c(C)c2)c(N)n1,0,0,0,0
COc1ccc(C/C(C)=N/NC(=S)Nc2ccc(C(C)C)cc2)cc1,0,0,0,0
COC(=O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1,0,0,0,0
Cn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccn(CCN6CCOCC6)n5)nc3-4)cc2)cn1,0,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4c5ccnc(Cl)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
Cn1c2ccnc(Cl)c2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21,0,0,0,0
COc1ccc(Nc2ncc(C(C)=O)c(Oc3cccc4c3C(=O)CC4)n2)cc1,0,0,0,0
CC(C)(C)c1nc2ncnc(N[C@@H]3C[C@@H](COS(N)(=O)=O)[C@@H](O)C3)c2[nH]1,0,0,0,0
COc1cc(OC)cc(C(=O)N2CCN(C(=O)c3ccc(OC)c(OC)c3)CC2)c1,0,0,0,0
NC(=O)c1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1,0,0,0,0
CC(C)Cc1nc2n[nH]c(N)c2c2c1CCC2,0,0,0,0
CCOP(=O)(c1ccccc1)C(O)c1ccc(Br)cc1,0,0,0,0
Cc1ccc2c(=O)n(-c3ccc4cnn(C)c4c3)c(CCN3C(=O)c4cccc(OC(C)C)c4C3=O)nc2c1,0,0,0,0
CCN(CC)CCCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
CCOC(=O)C1=C(C)NC(=S)NC1c1cccs1,0,0,0,0
CC(=O)N1C(Cc2ccccc2)C=CC1(C)C(=O)NCc1cc(F)cc(C(F)(F)F)c1,1,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cnc(C#N)c(Cl)c1,0,0,0,0
O=C(O)c1ccccc1/C=N/NC(=O)c1cc(-c2ccco2)nc2ccccc12,0,1,0,0
CC1(C)C=Cc2nc(CN(c3ccccc3)S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2O1,0,0,0,0
Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccc2c(c1)OCCO2,1,0,0,0
CCOCCCn1c(=S)[nH]c2cc(C(=O)NCCCN(CC)CC)ccc2c1=O,0,0,0,0
O=C(c1ccccc1)c1ccccc1C(=O)c1ccccc1,0,0,0,0
COCC(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2,0,0,0,0
COc1ccc2oc(-c3cn4nc(SC)sc4n3)nc2c1,0,0,0,0
CN1c2ccc(-c3ccc(C(=O)N4CCC(CCO)CC4)cc3)cc2-c2[nH]ncc2S1(=O)=O,0,0,0,0
Nc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,0,1,0,0
COc1cc(N2Cc3ccc(-c4ccccc4Cl)nc3C2=O)ccc1OCCN1CCCC1,0,0,0,0
Cc1cccc(C2C3C=CCCC3C(=O)N2Cc2ccccc2)c1,0,0,0,0
Cc1sc2ncnc(N3CCC(C(=O)Oc4cccc(Cl)c4Cl)CC3)c2c1C,0,0,0,0
COc1cc(C=c2sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc(OC)c1OC,0,0,0,0
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3cccc(NS(C)(=O)=O)c3)[n+]([O-])c2n1,0,0,0,0
CCCCC(=O)Nc1nc(C)c(C(C)=O)s1,0,0,0,0
CC1CCC(C)N1CCc1c[nH]c2ccc(-c3cccs3)cc12,0,0,0,0
O=C1Nc2c(Cl)cc(Cl)cc2C2(CCCCC2)N1,0,0,0,0
COc1cccc(-c2ccccc2CN(C(=O)c2ccc(-c3ccc(C#N)cc3)o2)c2ccc(N3CCNCC3)cc2)c1,0,0,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1,0,0,0,0
CCN(CC)c1cc(Nc2ccc(S(N)(=O)=O)cc2)n2ncnc2n1,0,0,0,0
COc1ccc2c(c1C1CCCC(=O)N1Cc1cccc(-c3csc(C)n3)c1)OCCO2,0,0,0,0
O=C(c1ccccn1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,0,0,0,0
COc1ccc(S(=O)(=O)N(Cc2ccc(N3CCN(C(C)=O)CC3)cc2F)C2CCC2)cc1,0,0,0,0
Cc1cn2cc(C(=O)N3CCCC3)cc2c(C#Cc2ccsc2)n1,0,0,0,0
O=C1CN(C(=NC2CCCCC2)Nc2ccc(C(=O)NCCc3ccc(Cl)cc3Cl)cc2)CCN1,0,0,0,0
CC(=O)NC(CCS(C)(=O)=O)C(=O)Nc1nc(C)cs1,0,0,0,0
COc1cc(OC)c(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)cc1Cl,1,0,0,0
Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CCO)CC3)cc2F)cn1,0,0,0,0
c1ccc(C2=Nc3ccccc3NC(c3ccccc3)C2)cc1,0,0,0,0
CCCCN1C(=O)NC(=O)C(=C(C)NCCc2c[nH]c3ccccc23)C1=O,0,0,0,0
CC(=O)Nc1nnc(SCc2cc(=O)c3cccc(C)c3[nH]2)s1,0,0,0,0
COC(=O)C1(C)NC(c2ccccc2OC)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
N#Cc1ccccc1N1CCOc2cc(S(=O)(=O)Nc3ncns3)ccc21,0,0,0,0
CCCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3)C2)nc(OC)c1F,0,0,0,0
CC(=O)Oc1ccc(N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(F)cc1F,0,0,0,0
CC1=C(N2CCC3(CCN(C[C@@H](O)c4cc5c(cc4Cl)Cn4nnnc4-5)CC3)C2=O)COC1=O,0,0,0,0
CC(C)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21,0,0,0,0
Clc1cc2c(cc1Cl)Oc1c(ccc(Cl)c1Cl)O2,0,0,0,0
O=c1c2cc(-c3ccccc3)sc2ncn1N=Cc1ccco1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)N(c1ccc(S(N)(=O)=O)cc1)C1=C(C(=O)CC(C)(C)C1)C2c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,0,0,0,0
Clc1ccc(CN2CCN(Cc3ccccc3)CC2)c(Cl)c1,0,0,0,0
Cc1nc2sc(C(c3ccco3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1,0,0,0,0
CC1(C)C(=O)N(C2CCCCC2)c2nc(Nc3cccnc3)ncc21,0,0,0,0
CCOC(=O)c1c(C)sc2c1N(C(C)=O)c1cc(Cl)ccc1S2,1,0,0,0
CC1=NC2=C(C(=O)c3ccccc32)C(c2cccnc2)C1C#N,0,0,0,0
CCC(C(=O)N1CCN(c2ccccc2)CC1)n1c(C)c2cnn(-c3ccccc3)c(=O)c2c1C,1,0,0,0
Cc1cccc(CSc2ncc(CO)n2C)c1,0,0,0,0
Cc1cccc2c1c(Cn1c(=O)n(CC(=O)O)c(=O)c3cnccc31)cn2C,0,0,0,0
O=C1C2=C(CCCC2)C(O)N1c1cc(OCc2cccc(F)c2)c(Cl)cc1F,0,0,0,0
Cc1ccc(-c2onc3ccc(Cl)cc23)cc1,0,0,0,0
NC1(c2ccc(-c3nc4ccn5c(=O)[nH]nc5c4cc3-c3ccccc3)cc2)CCC1,0,0,0,0
CCN1C(=O)C(=CC=Cc2ccccc2[N+](=O)[O-])SC1=S,0,0,0,0
CC1=CCC2C(=O)N(c3nc(C)cc(C)n3)C(=O)C2C1,0,0,0,0
c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)nc1,0,0,0,0
CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(F)cc4)n[nH]c2-3)CC1,0,0,0,0
Cc1cc2n[nH]c(=O)n2c2cc(-c3ccncc3)ccc12,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(F)c(F)c3)c(F)c2)CC1,0,0,0,0
COc1cccc(OC)c1C1CCCC(=O)N1Cc1cnn(-c2ccccc2)c1,0,0,0,0
Cn1cc(-c2cc(OCC(N)=O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,0,0,0,0
Cl.Nc1nc(Nc2cccc(F)c2)nc2ccccc12,0,1,0,0
CCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5cn(CC)cn5)nc43)[C@H](O)[C@@H]2O)c1,0,0,0,0
COc1cc(C)c2c(c1C=O)Oc1c(c(C)c(O)c3c1C(O)OC3=O)OC2=O,1,0,0,1
COc1ccc(-c2nc(-c3ccc(O)cc3O)cs2)cc1OC,1,1,0,0
CCCCS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2ccc(Cl)cc2)o1,1,0,0,0
OCC1CCN(c2nccnc2OC2CCN(c3ccc4ccccc4n3)CC2)CC1,0,0,0,0
CC1CC(C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nnc(-c4cccs4)o3)cc2)C1,1,0,0,0
COc1ccc(CCNS(=O)(=O)c2c(N)n(C)c(=O)n(C)c2=O)cc1OC,0,0,0,0
C=CCn1c(SCc2ccc(C(=O)O)cc2)nc2sc(C)c(C)c2c1=O,0,0,0,0
COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c3c(c2)OCO3)cc1,0,0,0,0
Nc1nc(Cl)nc2ccc(Br)cc12,1,0,0,0
COc1ccc2oc(C(=O)NCc3cc(OC)c(OC)cc3OC)c(C)c2c1,1,0,0,0
CC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(OC(C)C)c3)oc2c1,0,0,0,0
O=c1[nH]c(-c2ccccn2)nc2sc(-c3ccccc3)cc12,0,1,0,0
CCCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(N)n2)c1F,0,0,0,0
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(C)(N2CCC(N(c3ccccc3)c3cccnc3)CC2)CC1,0,0,0,0
COCCN1C(=O)NC(c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C,0,0,0,0
COc1cc(CNC2CCCCC2OC)cc(OC)c1OC,0,0,0,0
Cc1ccsc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,0,0,0,0
COCCn1c(C)cc(O)c(C(c2ccc(OC)cc2)N2CCCCC2)c1=O,0,0,0,0
Cc1cccc(-c2ccc(/C=C/[C@H]3[C@@H]4CC[C@@H](O)C[C@H]4C[C@H]4C(=O)O[C@H](C)[C@@H]34)nc2)c1,0,0,0,0
CNC(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0,0,1
Cn1c(=O)c2c(nc(NN=Cc3cccs3)n2C)n(C)c1=O,0,0,0,0
O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)c1ccc(Cl)cc1,1,0,0,0
CCOC(=O)N1CCN(Cc2c(F)cccc2F)CC1,0,0,0,0
COc1cccc2c1C(O)(c1ccc(Cl)cc1)N1CCN=C21,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NCc1ccncc1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3c(F)ccc(Cl)c3F)CC2)C1,0,0,0,0
CCC(=O)N1CCN=C1SCc1ccc(Cl)cc1,0,0,0,0
Cc1c(C(=O)N(CCO)Cc2ccccc2)oc2c(F)cccc12,0,1,0,0
CN1CCN=C1c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,0,0,0,0
CCn1cc(-c2cc(OCCCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)NC3CCC(N)CC3)cc2F)cn1,0,0,0,0
Fc1ccc(OC[C@@H]2CNCCO2)c2c1CCC2,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cc(F)cc(F)c2)c1)C(F)(F)F,0,0,0,0
CCc1c(CCCC(=O)O)cccc1-c1cc(-c2ccc(OC(C)C)c(C#N)c2)no1,0,0,0,0
C=CCNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
Cc1nnc2n1-c1ccc(Br)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
CN1CC2(CNC(=O)c3c2[nH]c2c3Cc3cnc(-c4ccccc4F)cc3-2)C1,0,0,0,0
Cc1cc(C2=NCCN2C)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0,0,0,0
Cn1nc(CC(CC(=O)O)c2ccc3c(c2)OCO3)cc1S(=O)(=O)CCc1ccc2c(n1)NCCC2,0,0,0,0
CCCC1(c2cccc(OC)c2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
O=C1OC[C@H](Cc2ccccc2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1,0,0,0,0
CCc1coc2ccc(-c3cc(NC(C)c4cccc(O)c4)nc(C)n3)cc12,0,0,0,0
O=C(NCc1ccco1)c1cc2cc3ccc(Cl)cc3nc2o1,1,0,0,0
CCC(CC)COC(=O)C1=C(C)NC(=O)NC1c1cc(OC)ccc1OC,0,0,0,0
Cc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1,0,1,0,0
Cc1ccc(-c2cc(N)n(-c3ccc(F)cc3)n2)cc1,0,1,0,0
NC(=O)c1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC(C)Cc2ccccc2)c2sccc23)cc1C,0,0,0,0
N#CC(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1)c1nc2ccccc2[nH]1,1,0,0,0
O=C1Nc2ccccc2C1=CNCc1ccc(Cl)cc1,1,0,0,0
CCC(C)NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
CC(=O)c1ccccc1OCCn1nnc(-c2ccc(C)cc2)n1,0,0,0,0
CCOc1ccc(Cc2cc([C@]3(C)OC(OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CCCN=C1S/C(=C\c2ccc(OC[C@H](O)CO)c(Cl)c2)C(=O)N1c1ccccc1C,0,0,0,0
Cc1cccnc1N(c1ccccc1)c1ccc(C(=O)N(C)CCCCCCC(=O)NO)cc1,0,0,0,0
COc1cc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc(OC)c1,0,0,0,0
O=C(N/N=C/c1ccc(F)cc1)c1sccc1OCc1ccc(F)cc1,0,1,0,0
CCOc1cccc(C=C2NC(=S)N(c3ccccc3)C2=O)c1O,0,0,0,0
COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc(O)cc1=O,0,0,0,0
COc1ccc(-c2nnc(SCC(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1,1,0,0,0
CC(C)(C)OC(=O)NN1CC(=O)N2Cc3[nH]c4ccccc4c3C[C@H]2C1=O,0,0,0,0
CN1CCN(c2cccc(Nc3cc(-c4nc(N[C@@H]5CCNC5)c5sccc5n4)ccn3)c2)CC1,0,0,0,0
CCC1(CC)C(=O)N(C)C(=O)N=C1Nc1ccccc1,0,0,0,0
CN(C)C/C=C/C(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1,0,0,1,0
COC(=O)c1cccc(-c2ccc(OC)c(C3=C(CN4C(=O)O[C@H](c5cc(C(F)(F)F)cc(C(F)(F)F)c5)[C@@H]4C)CC(C)(C)CC3)c2)c1,0,0,0,0
CC1c2[nH]c3ccccc3c2CC2C(=O)N(CCO)CC(=O)N21,0,0,0,0
CCN1c2cc(C)ccc2-n2cccc2C12CCN(C(=O)Nc1cc(OC)c(OC)c(OC)c1)CC2,1,0,0,0
CCOC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(CC)cc3)cc12,0,0,0,0
CC(C)Oc1cccc2c1C(=O)N(CCc1nc3ncccc3c(=O)n1-c1ccc3cn[nH]c3c1)C2=O,0,0,0,0
N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
Cc1nc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)cc4)c3n2)ccc1F,0,0,0,0
O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(N2CCN(c3ncccn3)CC2)C1,0,0,1,0
OCCC1CN(Cc2cccc(O)c2)CCN1CCc1ccccc1,0,0,0,0
COc1cc(C2CC(=O)N=C3NN=C(c4ccccc4)C32)cc(OC)c1OC,0,0,0,0
CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@](C)(F)c2sc(C(N)=O)nc2-3)C1=O,0,0,0,0
O=c1c2ccccc2[nH]c(=S)n1CC1CCCO1,0,0,0,0
COC(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F,0,0,0,0
CC(=O)Nc1cccc(NC(=O)CCCC2CCCCC2)c1,1,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(Cc3cc(F)cc(F)c3)CCc3ccccc32)cc1,0,0,0,0
COc1ccc2[nH]cc(/C=C(/C#N)S(=O)(=O)c3ccccc3)c2c1,0,0,0,0
COc1ccc(/C=C/C(=O)NC(=S)N2CCOCC2)cc1,0,1,0,0
COC(CNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)OC,1,0,0,0
COc1ccc(-c2cc3ncccc3c(OCCC3CNC(=O)C3)n2)cc1OC,0,0,0,0
COC(=O)c1sc(N2CCCCC2)c(C#N)c1N,0,0,0,0
COCc1cc(C)nc2c1C(=O)NC(c1ccc(NC(C)=O)cc1)N2Cc1ccccc1,1,0,0,0
COC(=O)c1cc(C(=O)N2CCN(c3ncccn3)CC2)cc([N+](=O)[O-])c1,0,0,0,0
Cc1ccccc1CN1CCNCC1,0,0,0,0
O=C1CSc2ccccc2N1Cc1ccccc1F,0,0,0,0
COc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1F,0,1,0,0
COc1cc2c(cc1OC)C(C)N(C(=O)Cc1ccc(C(F)(F)F)cc1)CC2,1,0,0,0
O=C(CBr)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(Oc5cccc(C(F)(F)F)c5)c(Cl)c4)c3cc21,0,0,0,0
c1ccc(CN2CCCC(Nc3ccc4[nH]ncc4c3)C2)nc1,0,0,0,0
COc1ccc(C(=O)C2CCCN(Cc3ccc(C)s3)C2)cc1OC,0,0,0,0
CCOC(=O)c1cc(-c2ccccc2)n(Cc2cc(CC)no2)n1,0,0,0,0
c1ccc(N2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1,0,0,0,0
COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCc3ccccc3C2)c1,1,0,0,0
Cc1cc(Nc2nc(CC3(C(=O)N4CCC4)CCN(C(=O)c4cccc(Cl)c4F)CC3)ccc2F)n[nH]1,0,0,0,0
Nc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1S(=O)(=O)c1ccccc1,0,0,1,0
COc1ccc(C(=O)Oc2cc(C)nn3cnnc23)cc1,0,0,0,0
COc1ccc(Nc2nc3cc(Cl)c(Cl)cc3n3cnnc23)cc1Cl,0,0,0,0
CN1c2ccc(OC(=O)NCCCCCCn3cnc4ccccc43)cc2CN2CCc3ccccc3C21,0,0,1,0
CN1CCN(c2nc(=O)cc(N)[nH]2)CC1,0,0,0,0
NC(=O)CCCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C1N(CN2CCC3(CC2)OCCO3)c2ccccc2C12OCCCO2,0,0,0,0
CCCCN(CC)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
CCCc1cc(=O)n2[nH]c(-c3ccc(OC)cc3)nc2n1,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NC(C)(C)C)ncc23)ccn1,0,0,0,0
CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1,0,0,0,0
CCN(C)CCc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,0,0,0,0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C\C(=O)O)ccc3OC(F)(F)F)cc21,0,0,0,0
C=CCC(CC=C)(CNC(=O)C(=O)Nc1cc(C)ccc1OC)c1ccc(OC)c(OC)c1,1,0,0,0
CN(C)CCn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCN(CCO)CC1,1,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1SCCN1C(=O)CCC1=O,0,0,0,0
N#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)nc1N,0,0,0,0
CCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1,0,0,0,0
COc1ncccc1C(=O)N1CCCC(N2CCN(c3cccc(Cl)c3)CC2)C1,1,0,0,0
COC(=O)CSc1nc(C)c(Oc2ccccc2)c(=O)[nH]1,0,0,0,0
Cc1ccc(-c2cc(C(=O)Nc3nn[nH]n3)c3ccccc3n2)c(C)c1,0,1,0,0
CC(C)Cc1nccc2nc3[nH]c(=O)sc3cc12,0,0,0,0
Cc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1,0,0,0,0
CN(C)CCOc1ccc(-c2cccc(N)n2)c2c1C1CCC2C1,0,0,0,0
CC(=O)Nc1cccc(OCc2ccc(S(=O)(=O)Cc3ccccc3)cc2)c1,0,0,0,0
O=C(NCC1CCCO1)c1c(O)c2ccccc2[nH]c1=O,1,0,0,0
O=C1CN(C(=O)COc2cccc(F)c2)c2ccccc2N1,0,0,0,0
CCN(CC)CCN(C)C1CCC(c2ccccc2)CC1,0,0,0,0
Nc1nc(-c2ccco2)nn1S(=O)(=O)c1ccccc1,0,0,0,0
COc1cc(-c2noc(-c3nnn(-c4ccc(Cl)cc4)c3C)n2)cc(OC)c1OC,0,0,0,0
Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1,0,0,0,1
CN(C)CC1CCC(Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccc(F)cc2)c2ccc(OC(F)(F)F)cc2)CC1,0,0,0,0
Cc1c(Nc2nc3ccccc3n3c(C)nnc23)cccc1C(=O)O,0,0,0,0
COc1ccc(-c2nc(C(N)=O)c3[nH]c4cc(OC)ccc4c3n2)cc1,0,0,0,0
CCOC(=O)NC1C=CS(=O)(=O)C1,0,0,0,0
CCOc1ccc(NC(=O)COc2ccc(C(=O)NCCc3ccccc3)cc2)cc1,1,0,0,0
COC[C@H]1OC(=O)/C(=C/N2CCCC2)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)[C@@H](O)CC[C@@H]34)[C@]21C,0,0,0,0
CN(C)C=Nc1c(Br)cc(Br)c2nonc12,0,0,0,0
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4F)cc3)ccc12,0,0,0,0
Cc1ccccc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1,1,0,0,0
CC1Cc2c(O)c(O)cc(O)c2C(=O)O1,0,0,0,0
O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1c(Br)cccc1-2)N1CCOCC1,0,0,0,1
CCC(C)C1NCCOc2ccccc2CCCNC(=O)C(Cc2ccccc2)N2CCC(C2=O)N(C)C1=O,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(O)cc3)oc2c1,0,0,0,0
O=C(O)c1cccc(-n2ncnc2-c2cc(Cl)ccc2OCc2ccccc2)c1,0,0,0,0
CCC(CO)Oc1cc(NCc2cccc(C)c2)c2ncn(C(C)C)c2c1,0,0,0,0
Nc1nc(NC2CCCC2)c2c(n1)[nH]c1ccc(O)cc12,0,0,0,0
COc1cc(C(=O)NC(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2,0,0,0,0
COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3F)c2cc1OC,0,0,0,0
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(N)cc3)cc2N)cc1,0,0,1,0
COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CCN(C[C@H](C)O)CC4)cc3)nn12,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)cc4=O)nc31)CN1CCC2CC1,0,0,0,0
Cc1ccc(NC2C3NCCCC3C(=O)N2Cc2cccs2)cc1,0,0,0,0
CS(=O)(=O)N(CCc1ccccc1)CC(=O)N1CCN(c2ccc(F)cc2)CC1,1,0,0,0
O=c1nc(SCc2ccccc2[N+](=O)[O-])[nH]c2nc[nH]c12,0,0,0,0
CCOCCCNC(=O)c1cc(=O)n(Cc2cccc(C)c2)c2ccccc12,1,0,0,0
COC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1,0,0,0,0
CC(C)Oc1ccc(C(=O)N(CN2CCCC2=O)c2ccc(F)cc2)cc1,1,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(C(F)(F)F)cc4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
CC1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)CNC(=O)O1,0,0,0,0
O=C1C(=O)N(CCN2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc21,0,0,0,0
CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1,0,1,0,0
COc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC#N)c12,0,0,0,0
COC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C,0,0,0,0
CC(C)[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23,0,0,0,0
Cc1ccc(C)c(OCc2cc(C(=O)N3CCN(c4ccccc4C)CC3C)no2)c1,0,0,0,0
CCN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2cccc3c2cnn3-c2ccccc2C#N)c2ccccc2O[C@H]1C,0,0,0,0
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(-c4ccc(C(=O)N5CCN(C)CC5)cc4)c3c2)cc(Cl)c1O,0,0,0,0
C[C@]12CC[C@H]3[C@@H]([C@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,0,0,0,0
Cc1cccc(CN2CCCC(C(=O)c3ccc4c5c(cccc35)CC4)C2)n1,1,0,0,0
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCCNC2,0,0,0,0
COc1ccc(F)c(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC(=O)Nc1nc(=O)c2nc(C=O)cnc2[nH]1,0,0,0,0
CNc1nc(NC2CCCC2)nc(NC2(C#N)CCCCC2)n1,0,0,0,0
O=C(NCCCO)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,1,0,0
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(S(C)(=O)=O)cn5)n4)c3CO)ncc2c1,0,0,0,0
CC1=CC(=O)N(Nc2nc(-c3cccs3)nc3sc(-c4ccc(OC5CCNCC5)cc4)c(C)c23)C1=O,0,0,0,0
CN(C)[C@@H]1CCc2c(cccc2NS(=O)(=O)c2ccccc2)C1,0,0,0,0
CC=C(C)C(=O)OCC1OC(OCC2OC(OC3(CO)OC(CO)C(O)C3O)C(O)C(O)C2O)C(O)C(O)C1O,0,0,1,0
CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1,0,0,0,0
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c(Br)c1,1,0,0,0
CN1C2CCC1CC(Nc1nc(-c3ccccc3Cl)c3c(n1)N(c1c(Cl)cccc1Cl)C(=O)NC3)C2,0,0,0,0
Cc1ccccc1CN(Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1C,0,0,0,0
Nc1ncc(-c2cnc(N)c(-c3ccc(Cl)cc3)c2)cn1,0,0,0,0
O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(Br)o1,1,0,0,0
CCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
CCC1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1C,0,0,0,0
Cc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)OCO3)o1,1,0,0,0
COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)cc3Cl)c2cc1N1CCN(C)CC1,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)CCOCC1,0,0,0,1
O=C(c1ccoc1)N1CCC[C@H](n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1,0,0,0,1
Cc1ccc(S(=O)(=O)N2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1,0,0,0,0
c1ccc(-c2cc3c(cn2)ncc2ncn(-c4ccc5nc(NCCN6CCOCC6)sc5c4)c23)cc1,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O,0,0,0,0
Cc1ccc(NC(=O)NC(=O)COc2ccc(Cl)cc2Cl)c(C)c1,1,0,0,0
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)Cn1nnc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1I)C(=O)O)C(=O)O,0,0,0,0
COc1cc(OCc2cccc(-c3ccc4c(c3)OCO4)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
COc1ccccc1-n1nc(OC2CCN(CC(F)(F)F)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1ccc(F)cc1,0,0,0,0
O[C@@H]1[C@@H](Cc2ccccc2)CNC[C@H]1O,0,0,0,0
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cc1n[nH]c(=O)c2ccccc12,1,0,0,0
CO/N=C/c1ccccc1OC(C)C1=NCCN1,0,0,0,0
COc1ccc(CCNC(=O)Cn2c(=O)c3cccn3c3ccccc32)cc1OC,1,0,0,0
N#C[C@@H]1CCCC(F)[C@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1,0,0,0,0
Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1O,0,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)OCc1nnc(-c2ccccc2)o1,0,0,0,0
Fc1cccc(Cl)c1CSc1ccc(-c2cccnc2)nn1,0,0,0,0
COC(=O)c1ccccc1Oc1c(F)c(F)nc(N2CCOCC2)c1F,0,0,0,0
CCCCN(CCCC)CCn1cnc2c([nH]c3ccc(OC)cc32)c1=O,1,0,0,0
FC(F)(F)c1c(CCc2ccccc2)n2c3c(cccc13)CNCC2,0,0,0,0
Cc1ccc(S(=O)(=O)NC2=NCN(C3CCN(Cc4ccccc4)CC3)CN2)cc1,0,0,0,0
C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2cnn(C)c2)cc1F,0,0,0,0
CN(C)CCN(c1ccccn1)c1ccccn1,0,0,0,0
CC(C)c1ccc(C2NCc3ccccc3-n3cccc32)cc1,0,0,0,0
CC1=C(C(=O)OCC(C)C)C(c2ccccc2Cl)NC(=O)N1C,0,0,0,0
COc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,0,0,0,0
CN1C(N)=N[C@](C)(c2sc(-c3cccc(-c4noc(C5CC5)n4)c3)cc2Cl)CS1(=O)=O,0,0,0,0
CN(C)c1cccc2c(S(=O)(=O)N(C)C[C@H](C(=O)NO)[C@@H](CC3CCCC3)C(=O)N3CCCCC3)cccc12,0,0,0,1
O=C(O)c1ccc(NCc2ccccc2)cc1,0,0,0,0
c1coc(-c2ccc3nncn3c2)c1,0,0,0,0
O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccc(Br)c([N+](=O)[O-])c1,1,1,0,0
COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(C)=O)s1,1,1,0,0
CN1C(=O)OC(C)(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)C1=O,0,0,0,0
CCN1Cc2c(ccc(Nc3ncc(C(F)(F)F)c(NC)n3)c2OC)C1=O,0,0,0,0
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0,0,0
CCc1ccc(N[C@@H](c2ccc(Cl)c(C)c2)C(F)(F)F)cc1CN1CC[C@@H](C(=O)O)C1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(NC(=O)[C@H](N)C(C)(C)C)CC1,0,0,0,0
Cc1cc(C)n(-c2nnc(C)n2N=Cc2ccccc2OCc2ccccc2Cl)n1,1,0,0,0
Cc1nc2c(s1)-c1nc(Nc3ccc(O)cc3)ncc1CC2,0,0,0,1
COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)c(F)c3)ccnc2cc1OCCNCCO,0,0,0,0
Cc1ccc(/C=N/n2cnc3sc(-c4ccccc4)cc3c2=O)o1,0,0,0,0
Cc1cc(=O)oc2c1ccc1ccccc12,0,0,0,0
COc1ccc(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)cc1,0,1,0,0
Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccccc2)cc1,0,0,0,0
NS(=O)(=O)c1cc(C(=O)NCCNCC(O)COc2cccc3c2CCC(=O)N3)ccc1Cl,0,0,0,0
OCC1(CCOc2ccccc2)CCN(Cc2ccncc2)CC1,0,0,0,0
CCCn1c(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)nc2ccccc21,1,0,0,0
Cc1cc(OCc2nc(-c3ccc(C(F)(F)F)c(F)c3)ns2)ccc1OC(C)(C)C(=O)O,0,0,0,0
C[C@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC1=O,0,0,0,0
COc1cc(Nc2nc3cccc(-c4cccc5cn[nH]c45)c3o2)cc(OC)c1OC,0,0,0,0
O=C1NC(NS(=O)(=O)c2ccccc2)(C(F)(F)F)C(=O)N1Cc1ccccc1,0,0,0,0
CCOC(=O)c1cnc2ccccc2c1NCCc1ccc(OC)c(OC)c1,0,0,0,0
COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4c(sc5cccnc54)c3=O)C[C@@H]21,0,0,0,1
C/C(=N\NC(=S)N1CCCc2cc(C(=O)O)ccc21)c1c(C)[nH]n(-c2ccc3c(c2)CCC3)c1=O,0,0,0,0
O=C1NC(=O)N(C2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)C1Cc1ccc(OS(=O)(=O)c2cccc3cnccc23)cc1,0,0,0,0
CN(C)C(CNC(=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccccc1,1,0,0,0
CCC(Oc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl,0,0,0,0
COc1ccc(S(=O)(=O)n2cnc3ccccc32)c(C)c1,0,0,0,0
Cc1ccc(NC(=O)CCC(=O)NN=CC=Cc2ccccc2)cc1,1,0,0,0
Cc1cc(C)n2nc(SCC3COc4ccccc4O3)nc2n1,0,0,0,0
O[C@H]1C[C@H](CN2CC[C@H](c3ccc(F)cc3Cl)[C@@H](O)C2)Cc2cccnc21,0,0,0,0
COc1ccc(-c2noc(Cc3ccc(Cl)cc3)n2)cc1OC,1,0,0,0
CCC(C)(C)n1nnnc1C(c1ccc2ncccc2c1)N1CCN2CCCC2C1,0,0,0,0
CCN(CC)CCN1C(=O)Nc2ccccc2C1c1ccccc1,0,0,0,0
NC(=O)C1CCN(c2ncccc2[N+](=O)[O-])CC1,0,0,0,0
CCn1cc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccccc1Cl,0,0,0,0
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)cc1C,0,0,0,0
Nc1c(-c2nc(-c3ccc(Cl)cc3)no2)nnn1-c1ccc(C(F)(F)F)c(Cl)c1,0,0,0,0
Cc1ccc(NCc2ccccc2)cc1,0,0,0,0
CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12,0,0,0,0
C=CC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C,0,0,0,0
C=CC(=O)Nc1ccccc1C(=O)Nc1n[nH]c2nc(-c3cc(F)cc(OC)c3)ccc12,0,0,1,0
CC1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)C1=O,1,0,0,0
CNC(=O)c1cccc(C)c1Nc1nc(Nc2ccc3c(c2)CCN(CCOC)CC3)ncc1Cl,0,0,0,0
CCCCNC(=O)c1ccc(Oc2ccc3c(CC(=O)O)c[nH]c3c2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1,0,0,0,0
Fc1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2)cc1,1,0,0,0
CN1CCC(N2CC(c3ccccc3)(c3ccccc3)NC2=O)CC1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C,0,0,0,0
COc1ccc(C=CC(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1,1,0,0,0
CC(=O)C1=C(O)C(=O)N(c2cccc(C(=O)O)c2)C1c1ccccc1F,0,0,0,0
CCCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCCOC)C2c2ccncc2)cc1,0,0,0,0
O=[N+]([O-])c1nn(-c2ccc(Cl)cc2)n(O)c1=NCc1ccccc1,0,0,0,0
O=c1oc2c(CN3CCCCCC3)c(O)ccc2cc1-c1nc2ccccc2[nH]1,0,0,0,0
OCC1CN(C(=S)SSC(=S)N2CCCOC(CO)C2)CCCO1,0,0,1,0
NS(=O)(=O)c1ccc(CCNC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1,1,0,0,0
CC(C)(C)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
CCn1cc(S(=O)(=O)NCCc2ccccc2OC)cn1,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(C(F)(F)F)c(C=O)nc32)ncc1C#N,0,0,1,0
CN1C(=O)CC(c2ccccc2)C1=O,0,0,0,0
Cc1ccc(-n2ccnc(NCCc3ccccc3)c2=O)cc1C,0,0,0,0
N#C/C(=C/C1CC1)C(=O)N1CCC[C@@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21,0,0,1,0
N#Cc1c(N2C(=O)Nc3ccccc3N2O)sc2c1CCCC2,0,1,0,0
CCc1c(O)n(C2CCCCC2)c(SCC(=O)Nc2ccc(OC)cc2)nc1=O,1,0,0,0
Cc1cccnc1NC1(C(F)(F)F)N=C2SCCN2C1=O,0,0,0,0
CC(C)OP(=O)(OC(C)C)C1(O)C(=O)Nc2ccc(Br)cc21,0,0,0,0
CN1CCC[C@H]1COc1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2cc(-c3ccccc3)no2)n1,0,0,0,0
Cc1cccc(N2CCN(c3cccc(C)c3)C2c2cccnc2)c1,0,0,0,0
CC[C@H](C)[C@@H](CN1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1)NC(=O)OC(C)(C)C,0,0,0,1
Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2cccc(Cl)c2)n1,0,0,0,0
Oc1c(Cl)cc(CN2CCCCC2)c2cccnc12,0,0,0,0
Cc1ccc(C(=O)N2N=C(c3cccc(NS(C)(=O)=O)c3)CC2c2cccs2)cc1,0,0,0,0
O=c1cc(NCc2ccc3c(c2)OCO3)[nH]c(=O)n1-c1ccc(Cl)cc1,1,0,0,0
C/C(=C\c1ccc(OCCCCc2ccccc2)cc1)CNCCC(=O)O,0,0,0,0
COc1ccc(CN(C)c2nc(-c3cccnc3)nc3ccccc23)cc1OC,1,0,0,0
CC1=C2c3ccc(O)cc3C[C@@]23CC[C@H](C3)C1=O,0,0,0,0
O=C(c1ccc([N+](=O)[O-])o1)N1CCOCC1,0,0,0,0
Cc1ccnc(SC2CC(=O)N(c3ccccc3)C2=O)n1,0,0,0,0
CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCCN(C)C,1,1,0,0
CCOc1ccc(Oc2c(C)oc3cc(O)ccc3c2=O)cc1,0,0,0,0
CC(C)Oc1ccc(/C=C/C(=O)NCC2COc3ccccc3O2)cc1,0,1,0,0
CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(Br)ccc3c1C2=O,0,0,0,0
COc1ccc(CNC(=O)C2=C(C)C(=O)OC23CCC(C)CC3)cc1,0,0,0,0
CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1,1,0,0,0
COc1ccnc(COc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1,0,0,0,0
CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3)C2)nc(OC)c1F,0,0,0,0
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CC(C)(C)NC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
CCCc1nc2cccc(C(=O)O)c2nc1Oc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
COc1ccc(CN(Cc2ccc(OC(C)(C)C(=O)O)cc2)Cc2nc(-c3cccc(Br)c3)oc2C)cc1,0,0,0,0
O=C(c1ccc(Br)cc1)N1CCC2(CC1)NCCc1nc[nH]c12,0,0,0,0
CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)c(O)c1,0,0,0,0
CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2B(O)O)cc1,0,0,1,0
ClC(Cn1ncc2c(NCCc3ccccc3)nc(SCCN3CCOCC3)nc21)c1ccccc1,0,0,0,0
CC(C)(CC1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1)C(N)=O,0,0,0,0
CCCCc1c(-c2ccc(OC)cc2)[nH]c2nccnc12,0,0,0,1
CC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1ccccc1-2,0,0,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccccc3F)cc2)CCOCC1,0,0,0,0
CC(C)n1cnc2cc(NCc3nc4ccccc4n3C)ccc21,0,1,0,0
O=C1SCC(c2ccccc2)=NN1Cc1ccccc1,0,0,0,0
C[C@H]1CC(=O)C[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]21C,0,0,0,0
CC(=O)N1CC(C)Oc2ccc(S(=O)(=O)NC(CC(=O)O)c3cc(C)ccc3C)cc21,0,0,0,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccoc3)cn2CCN2CCC2)CC1,0,0,0,0
O=C(O)CNC(=S)N(Cc1ccccc1Cl)C1CCCCC1,0,0,0,0
O=C1c2ccccc2S(=O)(=O)N1CCCCN1CCN(c2ncccn2)CC1,1,0,0,1
Cc1nc(S(=O)(=O)c2cccc(Cl)c2)nc2c1CCC2,0,0,0,0
O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3F)cc2F)cc1,0,0,0,0
O=C(c1ccc(-c2cccnc2)o1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)OCO2,0,0,0,0
O=C1c2ccccc2CN1CCCCN1CCN(c2ccc(Cl)cc2)CC1,0,0,0,0
CC(=NCc1cccnc1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0,0,0
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cn[nH]c1-c1ccccc1,0,0,0,0
Cc1cccc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1,0,0,0,0
Nc1cccc2c1C(=O)N(CCOc1ccc(F)cc1)C2=O,0,1,0,0
COc1cc(Cl)cnc1N1CC(C)Oc2cc(S(=O)(=O)Nc3nccs3)ccc21,0,0,0,0
Cc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c1,1,0,0,0
Cc1nn(C(C)C(=O)NC2CCCCC2)c(=O)c2c1sc1ccccc12,0,1,0,0
Clc1ccc(-n2c(SCC=Cc3ccccc3)nnc2-c2cccnc2)cc1,1,0,0,0
CCOc1ccc(C(=O)Nc2c(C(=O)N3CCC(N4CCCCC4)CC3)oc3ccccc23)cc1,1,0,0,0
CCCc1cc2c(cc1OCc1sccc1S(=O)(=O)Nc1onc(C)c1Br)OCO2,0,0,0,0
COc1cc2c(cc1OC)N(Cc1ccccc1F)CC1C(c3ccc(F)cc3)NNC21,0,0,0,0
COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCC(=O)NO,0,0,0,1
Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3cc(F)cc(F)c3)CCC(F)(F)C2)n1,0,0,0,0
CC1CCN(CCCn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)CC1,0,0,0,0
COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(C2CC2)C1=O,0,0,0,0
CCCCn1c(NCc2cccs2)nc2ccccc21,0,0,0,0
COc1cc(C2NCc3ccccc3-n3cccc32)ccc1O.Cl,0,0,0,0
Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(C(C)C)cc1,0,0,1,0
CN(C)CCNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1,0,0,0,0
CCCCNc1ccc(-c2cccc(Cl)c2Cl)cn1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc([N+](=O)[O-])ccc2F)CC1,0,0,0,0
COc1ccc(CNc2nc3[nH]c(C)c(Cl)c(=O)n3n2)cc1OC,0,0,0,0
CCCN(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)C(CC(=O)O)c1cc(C)sc1C,0,0,0,0
COc1ccc(-c2ccc3cnc(Nc4ccc(N5CCN(C)CC5)c(F)c4)nn23)cn1,0,0,0,0
OC(COc1ccc(C2CCCNC2)cc1)CN1CCc2ccccc2C1,0,0,0,0
COC(=O)C1(C)C=CCN1C(=O)c1ccccc1,0,0,0,0
CCN(CC)c1ccc2nonc2c1N,0,0,0,0
CC1(C)C(C=C(Cl)Cl)C1C(=O)N(Cc1ccc(Cl)cc1)C1CCS(=O)(=O)C1,1,0,0,0
CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCCCN)[C@H]2C(=O)O)CC1)C(C)C,0,0,0,0
COc1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,0,0,0,0
Cc1ccccc1NC(=S)N(Cc1ccco1)C(C)c1ccccn1,0,0,0,0
CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(C(C)(C)C)C2)c1,0,0,0,0
Cc1ccc(C(=O)COC(=O)c2ccc(O)cc2)cc1,0,1,0,0
N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cnc(N)c(Cl)c1,0,0,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@]2(CC[C@@]3(O)[C@H]1C5)O[C@H]1N3[C@H](OC1(C)C)C(C)(C)O[C@@H]32,0,0,0,0
CC(=O)Nc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
CCN(CC)C(=O)[C@@]1(c2ccc(Cl)s2)C[C@H]1CN,0,0,0,0
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cc(C)ccc1C,0,0,0,0
CC(C)N(CCn1cnc2c([nH]c3ccccc32)c1=O)C(C)C,0,0,0,0
COc1ccccc1CNC(=O)CN1c2cccc3cccc(c23)S1(=O)=O,0,1,0,0
CCOc1ccc2c3c(c(=O)oc2c1OCC)CCCC3,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)cc1,0,0,0,0
O=C(c1ccco1)N1CCN(C(=O)C(Sc2ccccc2)c2ccccc2)CC1,1,0,0,0
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccccc2)nc2ccccc12,1,1,0,0
Cn1c(-c2cc(N3CCc4sc(C(=O)N5CCOCC5)cc4C3)ccc2Cl)nc2ccccc21,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc(C[S+]([O-])Cc3ccccc3Cl)o2)CC1,0,0,0,0
CC(C)CC(=O)Nc1c(C(=O)N2CCN(Cc3ccccc3)CC2)oc2ccccc12,1,0,0,0
O=C1NN=C(c2ccc(OCCCN3CCCCC3)cc2)C2CC12,0,0,0,0
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccccc1F,0,1,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)F)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
c1ccc(-c2cnc(C3Cc4c([nH]c5ccccc45)C4(N3)C3CC5CC(C3)CC4C5)[nH]2)cc1,0,0,0,0
COc1cc(C=CC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1O,1,0,0,0
CCNC(=O)C(C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cc3C)C2)cc1,0,0,0,0
Cn1nnnc1SCC(=O)Nc1nc2c(s1)CCCC2,0,1,0,0
Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2c(C)cccc12,0,0,0,0
COC1CCN(c2ncnc(C)c2C#Cc2cnc(C)c(NS(=O)(=O)c3ccccc3)c2)CC1,0,0,0,0
CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4ccc(Cl)cc4o3)C2=O)c(F)c1,0,0,0,0
O=C(COC(=O)c1ccc(O)cc1O)c1ccc(Cl)cc1,0,1,0,0
COc1ccc(-c2c(-c3ccc(O)cc3O)noc2NC(C)=O)cc1,0,0,0,0
CC(=O)/C(=N/Nc1ccc(Br)cc1)Sc1cccc2cccnc12,1,0,0,0
Cc1nc(-c2c(F)cc(Cl)cc2-c2cnc(CNC(=O)N(C)O)c(F)c2)no1,0,0,0,0
O=c1[nH]c(NC2CCC2)nc(N[C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c1-c1nc2ccccc2s1,0,0,0,0
Cc1nn(-c2ccccc2C(N)=O)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
CCOCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
c1ccc(C2=NCCCC2)cc1,0,0,0,0
CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O,0,0,0,0
CC(C)(C)C(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
COc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1,0,1,0,0
O=c1c(CCc2ccccc2)nc2cnc(N3CCOCC3)nc2n1CCc1ccccc1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(S(C)(=O)=O)sc2NCc2ccc3c(c2)OCO3)cc1,1,0,0,0
CCC(=O)OCn1nnc2ccccc2c1=O,0,0,0,0
Cc1cc(C)c(-c2nc3ccc(C#N)cc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
c1cc(C(c2nnnn2C2CCCC2)N2CCOCC2)ccn1,0,0,0,0
Cc1cc(Nc2ncc(Cl)cc2Cl)n(-c2ccccc2)n1,0,0,0,0
CN[C@H](CC(C)C)C(=O)N[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]2C(=O)N[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)[C@H](O[C@H]3C[C@](C)(N)[C@@H](O)[C@H](C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O[C@H]2C[C@](C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)[C@@H](O)[C@H](C)O2)Oc2ccc(cc2Cl)[C@H]1O,0,0,0,0
C[C@@H]1CN(c2nc(C(F)(F)F)no2)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2F)cn1,0,0,0,0
Clc1ccccc1CCN1CCN(c2n[nH]c3c2CCc2ccccc2-3)CC1,0,0,0,0
O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)NC1CCCCC1,1,0,0,0
O=C(NCC1CCCCC1)C1CCC(=O)N(CCc2cccc(F)c2)C1,1,0,0,0
CCOC(=O)C(C)Sc1nc(=O)n2cc(C)ccc2n1,0,0,0,0
O=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1Cl,0,0,0,0
CCN1CCN(c2cccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)ncnc23)CC1,0,0,0,0
CCN1C(=C2C(=O)N(C)C(=S)N2C)C=Cc2cc(C)ccc21,0,0,0,0
N#Cc1c(N)nc2c(c1N)CC(=O)N2c1ccc(Cl)cc1,0,0,0,0
O=C(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,0,0,0,0
S=c1[nH]nc(-c2ccccc2)n1/N=C/c1cccs1,0,0,0,0
Nc1nn(-c2ccccc2)c2ccc([N+](=O)[O-])cc12,0,1,0,0
O=C1C2Cc3c([nH]c4ccccc34)CN2C(=O)CN1CCO,0,0,0,0
COc1cc(COCC(O)CN2CCc3ccccc3C2)cc(OC)c1OC,0,0,0,0
CNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1C(F)(F)F,0,0,0,0
Cc1cnc(NC(=O)COc2ccc3c(c2)CCC3)s1,0,1,0,0
c1coc(-c2nc3ccccc3nc2-c2ccco2)c1,0,0,0,0
CN(C)CCN(C)c1c(F)c(Oc2cccc(-c3cccc(CN)c3)c2)nc(Oc2cc(N(C)C)ccc2C(=O)O)c1F,0,0,0,0
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1cccc(Cl)c1,0,0,0,0
CCSc1ccccc1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,0,0,0,0
CCOC(=O)Cc1csc(NC(NC(=O)OCC)(C(=O)OCC)C(F)(F)F)n1,0,0,0,0
COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)F)c2)nc(C2CC2)n1,0,0,0,0
CC(C)(CO)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,0,0,0,0
CCCCCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(C)C2=O)cc1,0,0,0,0
Cc1nc2cnc(N(C)C)nc2n(C2CC2)c1=O,0,0,0,0
CN(C)C(=O)c1cccc(Nc2c(NCc3ccccc3)c(=O)c2=O)c1O,0,0,0,0
CCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(C(F)(F)F)cccc43)c2)c1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccccc1,0,0,0,0
CC(C)OC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,0,0,0,0
FC(F)Oc1ccc(/C=N/NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)cc1,1,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1ccc(Cl)cc1,0,0,0,0
CCOC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCC2,0,1,0,0
O=C1c2cccc3[nH]c(=O)n(c23)CCN1[C@@H]1CN2CCC1CC2,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl,0,0,0,0
CC(C)CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccccc2)C1=O,0,0,0,0
CC(=O)N1N=C(c2cccs2)CC1c1ccco1,0,0,0,0
COC(=O)COc1ccc2c(c1C)OC(=Cc1ccco1)C2=O,0,0,0,0
CNC(=O)CSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1,0,0,0,0
COc1ccc(OC)c(Nc2nc3ccc(C)cc3n3cnnc23)c1,0,0,0,0
CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCC4CC4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)[C@@H]2O,0,0,0,0
Cc1ccc(-c2cc(C(=O)Nc3c(C#N)cnn3C)no2)cc1,0,1,0,0
COC(=O)C1=C(CSc2nc3c(cc2C#N)CN(C)CC3)OC(N)=C(C#N)C1c1ccc(F)cc1,0,0,0,1
CC1(C)C=C2C3CCC4C5(C)CCC(=O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1,1,0,0,0
CCN(CC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c1,0,0,0,0
CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1nc(C)c(C(=O)Nc2ccc(Oc3ccccc3)cc2)o1,0,1,0,0
CCCc1nc(C)c2c(C(F)F)nc3ccc(OC)nc3n12,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C#N)c2)c1,0,0,0,0
COc1ccc2cc(CNCc3ccc(Cl)cc3)c(-c3ccsc3)nc2c1,0,0,0,0
Cc1nc2ccc(C)c(Sc3ccc([N+](=O)[O-])cc3)c2c(=O)[nH]1,0,0,0,0
O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCC(CCN2CCCC2)CC1,0,0,0,0
CCOC(=O)N1C2CCC1CC(c1ccnc3c(-c4ccc5c(c4)NC(=O)C5)c(-c4ccncc4)nn13)C2,0,0,0,0
O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3[nH]ncc3C3(c4ccccc4)CC3)CC2)[C@@H](c2ccccc2)C1,0,0,0,0
C[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)ccc1F,0,0,0,0
CCOCCCN1C(=O)C(C)(c2cc(F)cc(F)c2)Oc2ccc(-c3c(N)nc(N)nc3CC)cc21,0,0,0,0
NC(=O)c1ccc(NCCc2ccc(F)c(F)c2)c2cncnc12,0,0,0,0
CCOc1ccccc1CC(c1cccnc1)N1CCNCC1,0,0,0,0
O=C(Nc1cccc(O)c1)c1cc(-c2ccc3c(c2)OCO3)on1,0,1,0,0
CCN(CC)CCNC(=O)C1C(C)=NC(/C=C2\C(=O)Nc3ccc(F)cc32)=C1C,0,0,0,0
CCOc1ccc(C(c2c(O)n(C)c(SC)nc2=O)c2c(O)n(C)c(SC)nc2=O)cc1,0,0,0,0
COc1ccc(-c2cc(C(=O)N3CCCCC3)c3ccccc3n2)cc1,0,1,0,0
O=C1CC(N2CCN(CC=Cc3ccccc3)CC2)C(=O)N1Cc1ccc(N2CCCC2=O)cc1,1,0,0,0
CC(=O)N1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3c(C(F)(F)F)c2C1,1,0,0,0
CN(C)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1,0,0,0,0
Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccc(F)cc3)C[C@@H]1O2,0,0,0,0
Cc1cc(-c2ccc(C(=O)c3ccc(F)c(O)c3)nc2-c2ccc(O)c(C)c2)ccc1O,0,0,0,0
COc1ccc(OCCCn2c(=O)oc3ccccc32)cc1,0,0,0,0
OCCC1CN(Cc2cccn2-c2ncccn2)CCN1Cc1ccc(F)cc1,0,0,0,0
CC(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
c1ccc([C@@H]2C[C@H]2COc2cc(NCc3cn[nH]c3)n3nccc3n2)nc1,0,0,0,0
COc1ccc(N2C(=S)N=C(Nc3cccc(C)c3)C23CCCCC3)cc1,0,0,0,0
CC1Cn2c(nnc2-c2ccc(F)cc2)S1,0,0,0,0
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(=O)N[C@H](C(N)=O)C(C)C,0,0,1,0
Cc1ccccc1N1CCN(C2CCCN(C(=O)c3ccc(Cl)s3)C2)CC1,1,0,0,0
COc1cc(-c2cnc3[nH]c(=O)n(-c4ccc5[nH]ccc5c4)c3n2)cc(OC)c1OC,0,0,0,0
CCCCC1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccccc1,0,0,0,0
COc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)cc1,0,0,0,0
CCCCc1c(O)nc(SCC(=O)Nc2ccc3c(c2)CCC3)[nH]c1=O,1,0,0,0
CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(C2CCCC2)n1,0,0,0,0
Nc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1N1CC2CC(C1)c1cccc(=O)n1C2,0,0,0,0
CC1CCc2c(sc3nc(CN4CCN(S(=O)(=O)c5ccccc5[N+](=O)[O-])CC4)[nH]c(=O)c23)C1,0,0,0,0
N#Cc1c2n(cnc1=O)CCCCC2,0,0,0,0
COC1=CC(=CNS(=O)(=O)CCc2ccccc2)C=CC1=O,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CC(F)(F)C2)CC1,0,0,0,0
Cc1cc(C)c2ccc(=O)n(Cc3ccc(Cl)cc3)c2n1,0,0,0,0
COC(=O)N1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1,0,0,1,0
N#Cc1sc2nc(C3CC3)cc(-c3ccc(Cl)cc3)c2c1N,1,0,0,0
CCCCN1CC(=O)N2Cc3[nH]c4ccccc4c3CC2C1=O,0,0,0,0
c1cncc(OCCN2CCCC2)c1,0,0,0,0
CCOC(=O)CCCCN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OCC)C(=O)OCC)cc1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(F)F)cc21,0,0,0,0
COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cncnc21,0,0,0,0
CCOC(=O)N1CCC(Nc2c(NCCCN3CCN(C4CCCCC4)CC3)c(=O)c2=O)CC1,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NC1CCC(O)C1,0,0,0,0
Nc1c2c(nc3cccc(Cl)c13)N(c1ccccc1)CC2,0,0,0,0
Cc1noc(C)c1CSc1nnc(C)c(=O)[nH]1,0,0,0,0
CCCCc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)cc1,0,0,0,0
CON=CC(c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc2c(c1)C(O)(c1ccc(Cl)cc1)N1CCN=C21,0,0,0,0
Cc1c(C)c2ccc(OCc3cccc(C#N)c3)cc2oc1=O,0,0,0,0
CCC(=O)N1CCc2cc(CNC(=O)Nc3cc(OC)c(OC)c(OC)c3)ccc21,1,0,0,0
COc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC(F)(F)F)c12,0,0,0,0
COC(=O)C1=C(c2c(C)noc2C)CC2CCC1N2C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1,1,0,0,0
Cc1ccc(C)c(Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3oc4ccccc4c32)c1,0,0,0,0
COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3cccc(C)c3)cc2c1,0,0,0,0
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N23)cc1OC,0,0,0,0
COc1ccc(OCC(=O)O)c(Cc2cc(OCCCCCc3ccccc3)c(Cc3cc(OCC(=O)O)c(Cc4cc(OCCCCCc5ccccc5)c(Cc5cc(OCC(=O)O)c(Cc6cc(OCCCCCc7ccccc7)c(C)cc6OC)cc5OC)cc4OC)cc3OC)cc2OC)c1,0,0,0,0
Cc1cccc2nc(CCc3ncc(-c4cccs4)[nH]3)nn12,0,0,0,0
Cc1ccc(-c2c(-c3cccs3)nc3ncnc(N)c3c2-c2ccc(C)c(F)c2)cc1F,0,0,0,0
COC(=O)C1=NNC2(c3ccc(Cl)cc3)C(=O)N(c3ccccc3)C(=O)C12,0,0,0,0
O=C(NNC(=O)C1CCN(Cc2ccc(F)cc2Cl)CC1)Nc1ccc([N+](=O)[O-])cc1,1,0,0,0
COc1c(C(Nc2ccccn2)c2ccccc2F)oc(CO)cc1=O,0,0,1,0
CCc1ccc(N(CC(=O)Nc2nc3ccc(C)cc3s2)S(=O)(=O)c2c(C)noc2C)cc1,1,0,0,0
CC1(C)CC(C)(C(=O)c2ccccc2)C=C1c1ccccc1,0,0,0,0
CN1c2ccc(-c3cncc(Cl)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O,0,0,0,0
C=CCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S,0,0,0,0
O=C(NN=Cc1cccc2ccccc12)c1ccc(CN2CCOCC2)cc1,1,0,0,0
O=c1nc(NOCCOc2ccccc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,0,0,0,0
COC(=O)CC1=Nc2ccccc2NC(=O)C1,0,0,0,0
Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCCC3)cc2F)cn1,0,0,0,0
CCN(CC)CCCn1c(=S)[nH]c2cc(Cl)ccc2c1=O,1,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NCc1nncn1C,0,0,0,0
CCCCN(Cc1cc(Cl)c(OC)c(OC)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
Oc1cccc(-c2cn3ccnc3c(N3CCOCC3)n2)c1,0,0,0,0
CCCCNc1ncc2c(-c3ccc(CN4CCN(C)CC4)cc3)cn(C3CCC(O)CC3)c2n1,0,0,1,1
Cc1ccc(C2C=C(c3ccccc3)N=C3NC(NS(=O)(=O)c4ccc(C)cc4)=NN32)cc1,0,0,0,0
CCCC(=O)Oc1c(Sc2ccc(Cl)cc2)c(C)nn1-c1ccccc1,0,1,0,0
Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2nn(C)c(=O)c3ccccc23)n1,1,0,0,0
CC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cn(C)nc3C)c(=O)n12,0,0,0,0
COCCNC(=O)C1CSC2c3ccc(OC)c(OC)c3C(=O)N12,0,0,0,0
CC(C)(COc1ncc(-c2ccc(-c3ncc(C(C)(C)C(F)(F)F)[nH]3)cc2)cc1F)C(=O)O,0,0,0,0
COc1ccc(-c2cc3nc(C)n(N)c(=O)c3s2)cc1,0,1,0,0
COC(=O)Cc1c(C)[nH]c(SCc2ccccc2)nc1=O,0,0,0,0
O=C1Nc2cccnc2Sc2ccccc21,0,0,0,0
COC(=O)c1scc(C)c1NN=C(C)c1cc(F)c(Cl)cc1F,1,0,0,0
CCCn1cnc2cc3c(cc21)C1CNCC3C1,0,0,0,1
CC1CCCCC1N(C(=O)c1cc(C2CC2)on1)C1CCCCCC1,0,0,0,0
CN(C)CCNc1ncnc2ccccc12,0,0,0,0
CC(C)n1cnc2ccc3nc(C(N)=NCc4ccccc4)sc3c2c1=O,0,0,0,0
Cc1cc(Cl)ccc1-c1ccc2c(=O)c(-c3ccc(N4CCC(N(C)C)C4)nc3)coc2c1,0,0,0,0
CC(C)c1cc(-n2nncc2-c2ccc(CN3CCCC(O)C3)cc2)c(O)cc1O,0,0,0,0
CCCCc1c(-c2ccc(OCCOCCOCCN)cc2)[nH]c2nccnc12,0,0,0,0
O=C(CSCc1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
CC(C)C(c1nnnn1C1CCCC1)N1CCCc2ccccc21,0,0,0,0
C[N+]1(C)[C@@H]2CCC[C@H]1CC(CC(O)(c1cccs1)c1cccs1)C2,0,0,0,0
CC(=O)OCCN(C)c1cc(SC(C)C)c2nonc2c1[N+](=O)[O-],0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C(F)(F)F)cc3)c(F)c2)CC1,0,0,0,0
COc1ccc(-c2nc3cnc(N4CCN(C)CC4)nc3n(CCc3ccccc3)c2=O)cc1,1,0,0,0
COC(=O)C1CCN(C(=O)c2ccc3nccnc3c2)CC1,0,0,0,0
Cc1nc2ccc(Cl)cc2c(-n2ccc3c(C#N)cc(N4CCOCC4)cc32)c1C,0,0,0,0
CN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12,0,0,1,0
O=C(O)c1cc(N2CCN(CCc3ccc(OCCCN4CCCCCC4)cc3)CC2)c2ncccc2c1,0,0,0,0
FC(F)(F)c1ccc(Cl)c(NC(=S)NN=Cc2ccccc2C(F)(F)F)c1,0,0,0,0
O=C(O)C1=CC(=C(c2ccccc2)c2cc(C(=O)O)c(O)c3ccccc23)c2ccccc2C1=O,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(S(=O)(=O)C(C)C)CC1,0,0,0,0
O=C1CN(C(=O)COc2ccccc2)c2ccccc2N1,0,0,0,0
CC1=C(C(=O)N(C)C)C(c2ccc(Cl)c(Cl)c2)NC(=O)N1,0,0,0,0
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CC(C)Oc2ccccc21,0,0,0,0
Fc1cc2c(c(OCCNCCCc3c[nH]c4ccc(F)cc34)c1)OCC2,0,0,0,0
Clc1ccc2c(c1)CCCC21CCN(Cc2ccccc2)CC1,0,0,0,0
CC(C)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,0,0,0,0
O=C(O)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1,0,1,0,0
COc1cccc(C2CC(=O)Nc3c2c(=O)n(C)c2nc4ccccc4n32)c1,0,0,0,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCC2c1cc(N)ccc1Cl,0,0,0,0
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(C(C)=O)C3)cc12,0,0,0,0
COc1ccc(-c2nc3cnc(N(C)C)nc3n(-c3ccccc3)c2=O)cc1,0,0,0,0
CCN(CC)CCOCOC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,0,0,0,0
NC(N)=NCCC[C@@H]1NC(=O)[C@H](CO)NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4)n3)cc2)CC1,1,0,0,0
COCCCS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
COC(=O)c1ccc(CSc2nnc(NCc3ccccc3)s2)o1,0,0,0,0
CC(/C=C1\SC(=S)N(CC(=O)O)C1=O)=C\c1ccccc1,0,0,0,0
Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1,1,0,0,0
O=C1OCCC1=Cc1ccc(O)cc1,0,0,0,0
O=C(CC1CCCCC1)N1CCC(n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)C1,0,0,0,1
Cc1cc(C)n2nc(CNS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)nc2n1,0,0,0,1
Cc1nc(N2CCN(Cc3ccccc3)CC2)c(C#N)c2c1COC(C)(C)C2,0,0,0,0
O=C1CN(S(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2N1,0,0,0,0
O=C(C=Cc1ccco1)OCc1nnc(-c2ccccc2)o1,0,0,0,1
CNS(=O)(=O)c1ccc(N2CCCC2C(F)(F)F)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
S=C(N=Nc1ccccc1)NNc1ccccc1,0,1,0,0
CCOC(=O)CN(C)c1c(F)c(Oc2cccc(C3=NCCN3C)c2)nc(Oc2cc(C(=N)N)ccc2O)c1F,0,0,0,0
COc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CC[C@H]4COc4ccccc4)ccc32)cc1,0,0,0,0
COC(=O)C1(C)CCN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)C1,0,0,0,0
Clc1ccc(Oc2ccccc2)c2ncccc12,0,0,0,0
NS(=O)(=O)c1ccc(OCCCN2CCC(C(O)(c3ccccn3)C3CCCC3)CC2)cc1,0,0,0,0
CCOC(=O)N1CCN(Cc2c(F)cccc2Cl)CC1,0,0,0,0
COC(=O)c1sccc1NC(=S)Nc1ccc(F)cc1,0,0,0,0
COc1ccccc1-n1nc(OC2CCOCC2)cc1-c1ccc(Cl)cc1,0,0,0,1
Cc1[nH]c2ncnc(Nc3cc(Cl)cc(Cl)c3)c2c1C,0,0,0,0
CC(=O)N(c1cccc(-c2ccccc2)c1)c1nc2ccc(F)cc2c(C(=O)O)c1C,0,0,0,0
COc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(OC)cc4)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)cc1,0,0,0,0
Cc1c(-c2ccc(OC(C)C)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
O=c1cc(O)[nH]c(SCc2ccc(Cl)cc2)n1,0,0,0,0
NC(=O)c1cccc2c1O/C(=C\c1ccc(OCCN3CCN(c4ccc(F)cc4)CC3)cc1)C2=O,0,0,0,0
COc1ccccc1N1CCN(CCCCC2CCCc3c(OC)cccc32)CC1,0,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC(C)C)c2cc1OC,0,0,0,0
CCOc1ccc(C2NC(=O)c3c(COC)cc(C)nc3N2Cc2ccccc2)cc1OC,0,0,0,0
O=C(c1coc2ccc(O)c(CN3CCOCC3)c12)C1CC1,1,0,0,0
Nc1nc2c(S(=O)(=O)Nc3ccc(C(=O)N4CCC(O)(c5ccccc5Cl)CC4)cc3)cc(F)cc2s1,0,0,0,0
CCc1nc(C)c2c(C#N)nc3ccc(OC)nc3n12,0,0,0,0
CCOC(=O)C1=NN(C(C)=O)C2C(=O)N(CC)C(=O)C12,0,0,0,0
COc1nn2cc(-c3nc4cc(C(C)(C)C)ccc4o3)nc2s1,0,0,0,0
COc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2C,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCSC(C)=O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
Cc1c(NC(=S)Nc2cccc(Cl)c2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CCCCNC1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2CSC(=N)N)cc1,0,0,0,0
Cc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
O=C(CCc1ccccc1)c1ccc2c(c1)OCCCO2,1,1,0,0
CC(=O)c1c(COC(=O)c2ccc(C)cc2)nc2ccccc2[n+]1O,0,0,0,0
CN1C(=O)C(Cc2ccc(OCc3ccccc3)cc2)C(=O)N(C)C1=O,0,0,0,0
Cc1cc(O)c(C=O)c2c1C(=O)Oc1c(CO)c(O)c3c(c1O2)C(O)OC3=O,0,0,0,1
CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N2[C@H](C(=O)N[C@H]2CC(=O)OC2O)C1,0,0,0,0
N#Cc1ccc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(N)(=O)=O)c2c1,0,0,0,0
O=c1c(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)c2ccccc12,1,0,0,0
Cn1cnc(S(=O)(=O)n2ncc3c2CN([C@H]2CO[C@H](c4cc(F)ccc4F)[C@@H](N)C2)C3)c1,0,0,0,0
COc1ccc(N2CCN(CC(=O)Nc3ccc(C)cc3)CC2)cc1,1,0,0,0
N#C[C@@H]1CC(F)CCC1n1cc(C(N)=O)c(Nc2ccccc2)n1,0,0,0,0
CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(N(C)C)cc1,1,0,0,0
CC(C)N1CC(C(=O)Nc2ccccc2)CC1=O,0,0,0,0
Cc1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1,1,0,0,0
CC(C)(C(=O)O)c1cccc(-c2ccc(C(Cc3cc[n+]([O-])cc3)c3ccc(OC(F)F)c(OC(F)F)c3)cc2)c1,0,0,0,0
O=C(N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Br)cc1,0,1,0,0
CCN1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)ccc1N1CCCC1,0,0,0,0
O=C(CCCCCN1C(=O)C2Cc3ccccc3CN2C1=O)NCCc1ccccc1,1,0,0,0
Nc1nnc(Cc2cccc(Br)c2)s1,0,0,0,0
COC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12,0,0,0,0
Cn1c(SCc2ccccn2)nnc1-c1cnccn1,0,0,0,0
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCN(C)CC5)ccc34)n[nH]2)cc(OC)c1,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(C(F)(F)F)cc3)cncc21,0,0,0,0
OCc1cc(Cl)cc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
Cc1cc2cc(C(c3nnnn3Cc3ccco3)N3CCCCC3)c(=O)[nH]c2cc1C,0,0,0,0
Cc1cccc(C)c1NC(=S)N(CCCN1CCCCC1)Cc1ccco1,0,0,0,0
CN(Cc1cccc(C(CN)C2(c3ccc(Cl)cc3)CCC2)c1)S(=O)(=O)c1cnn(C)c1,0,0,0,0
N#Cc1ccccc1OCCN1C(=O)c2ccccc2C1=O,0,0,0,0
O=C1NCCCC1C(=O)Nc1ccccc1C(F)(F)F,0,0,0,0
COc1cc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccc(Br)cc4)C(=O)C32)ccc1O,1,0,0,0
CC1CCN(S(=O)(=O)c2cccc(-c3nnc(-c4cccnc4)o3)c2)CC1,0,0,0,0
Fc1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccc(F)cc2)cc1,1,0,0,0
COc1cccc(-c2nc(OC(C)C)c3ccccc3n2)c1,0,0,0,0
CC(C)Cc1nc(Cl)c(C#N)c2c1CCCC2,0,0,0,0
O=C1C=C(O)c2ccccc2/C1=N/NC(=O)c1ccncc1,0,0,1,0
COC[C@@H]1CCCN1c1cc(NC(C)=O)nc(-c2ccc(C)o2)n1,0,0,0,0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCCCCCCCC(=O)O)n1,0,0,0,0
COc1ccc(C=Nn2c(-c3cccs3)n[nH]c2=S)cc1,0,0,0,0
COc1ccc(C=Cc2nnc(NC(=O)COc3cccc(C)c3)s2)cc1,1,0,0,0
CN(C)c1ccnc2sc3c(=O)n(-c4ccc5cn[nH]c5c4)cnc3c12,0,0,0,0
CC(=O)CC1(OC(C)=O)C(=O)N(C)c2ccccc21,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1cccc(OCC)c1O)NC2,1,0,0,0
CC(CO)(CO)n1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1ccc(C(=O)CCN2CCOCC2)cc1,0,0,1,0
C[C@H](Oc1ccc(Cl)cc1C1CCCCC1)C(=O)O,0,0,0,0
C=CS(=O)(=O)NC1CCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1,0,0,1,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(S(C)(=O)=O)CC2,0,0,0,0
O=C(c1ccc(F)cc1)C(Cc1ccccc1)N1CCCCC1,0,1,0,0
CNS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
CCC(C)Cn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,0,0,0,0
CC(C)c1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCC(C(N)=O)CC4)c(=O)c3c2)cc1,1,0,0,1
Nc1nc(-c2ccc(P(=O)(O)O)o2)cs1,0,0,0,0
CC(C)CCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1cc(C)cc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,0,0,0,0
O=C(O)c1ccc(CCCN2[C@@H](/C=C/C(O)Cc3cccc(OC(F)(F)F)c3)CCS2(=O)=O)s1,0,0,0,0
CCc1cc2c(cc1N1CCN(C)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
O=C(O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,0,1,0,0
Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccccc3)ccc12,0,0,0,0
Clc1ccc2c(c1)nc(N1CCN(Cc3ccccc3)CC1)c1cccn12,0,0,0,0
Cn1nc2c(cc1=O)CCNCC2,0,0,0,0
COc1ccc2nc(COC(=O)c3cccc([N+](=O)[O-])c3)c(C(C)=O)[n+](O)c2c1,0,0,0,0
C=CCOCc1cc(Cl)c(Cc2ccc(CC)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
Cc1cccc(C)c1Nc1nnc(SCc2nc3ccccc3c(=O)[nH]2)s1,0,0,0,0
CCOc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(OC)cc2)cc1,1,0,0,0
COc1ccc(CSC2=C(C#N)C(=O)NC3(CCCCC3)S2)cc1,0,0,0,0
Cc1ccc(NC=C2N=C(c3ccc(C)cc3)OC2=O)cc1,0,0,0,0
O=C(c1ccccc1Sc1ccc([N+](=O)[O-])cc1)N1CCCCC1,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)NC(N)=NCCc2ccccc2)c1,0,0,0,0
CS(=O)(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,0,0,0,0
O=C1c2ccccc2NC2(CCCC2)N1O,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(F)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
COc1ccc(-c2cc(OC(=O)c3ccccc3C)c3c(C)oc(C)c3c(=O)c2)cc1,0,0,0,0
N#CC(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1nc2ccccc2[nH]1,1,0,0,0
CC(CO)(CO)Nc1ncnc2ccccc12,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)NCC3CC3)cc2)n1,0,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1C#N,0,0,0,0
COC(=O)c1ccc(C#Cc2ccccc2)o1,0,1,0,0
CN1C(=O)C(=Cc2cccc(Cl)c2)Sc2ccc(C(=O)NCc3cccnc3)cc21,1,0,0,0
CC(C)(C)Sc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2cccc(OCc3ccc4ccccc4n3)c12,0,0,0,0
CCCCOc1ccc(NC(=O)C2CCCN2C(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,1,0,0,0
Clc1ccc(-c2csc(N3CCCCCC3)n2)cc1,0,1,0,0
CC(O)(c1ccc(N(c2ccccc2)S(=O)(=O)c2ccccc2Cl)cc1)C(F)(F)F,0,0,0,0
CC(=O)NCCCCn1c2c(c3ccccc31)C(=O)NCC2,0,0,0,0
Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(F)cc3Cl)ccc12,0,1,0,0
N#CC=CN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CC(C)CC(C(=O)NCC#N)c1cncc(-c2ccccc2)c1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(C(=O)NCCN(C)C)CC1,0,0,0,0
COc1ccc(NC(=S)Nc2cnc3ccccc3c2)c(OC)c1,0,1,0,0
Cc1cccc2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
CN(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3,1,0,0,0
CC(=O)NC[C@H](NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C)C1CCCCC1,0,0,1,0
COCc1nn2cc(-c3ccc(C)cc3)nc2s1,0,1,0,0
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(C2CCC(O)CC2)C3=O)c(OC)n1,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3cccc(F)c3)CC1=O)C2,0,0,0,0
CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc21,0,0,0,0
COc1cc(N2CCC(N3CCOCC3)CC2)ccc1Nc1nc(NC2CCCCC2)c2[nH]cnc2n1,0,0,0,0
Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)ncn1,0,0,0,0
COc1cc(N(CC2CC2)c2cccc3ccccc23)cnc1C(=O)C1CC1c1nn[nH]n1,0,0,0,0
CCCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(C)=O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H]1CCC(=O)NCCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@](C)(CC(C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)CC)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(N)=O)NC1=O)[C@@H](C)CC)[C@@H](C)CC,0,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(CNc3ccc(C#N)cn3)ccc2o1,0,0,0,0
N#C[C@@H]1C[C@@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1,0,0,0,0
CCOC(=O)c1c(C)sc2c1N(C(=O)CN(CC)CC)c1ccccc1S2,0,0,0,0
O=S(=O)(Nc1nc2n(n1)C(c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccccc1,0,0,0,0
O=C(O)CN1C(=O)/C(=C\C(Br)=C\c2ccccc2)SC1=S,0,1,0,0
Cc1cc(Cl)ccc1-c1cccc(COc2ccc([C@H](CC(=O)O)c3ncnn3C)cc2)c1,0,0,0,0
N#CCSc1nc2ccccc2c(=O)n1C1CCCCC1,0,0,0,0
COc1cccc(-c2nnc(-c3cc(C(F)(F)F)nn3-c3cccc(CNC(=O)[C@H](C)N)c3)o2)c1,0,0,0,0
Cc1cccc(-n2ncc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c1,0,0,0,0
Brc1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,0,0,0,0
COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C)cc1,1,0,0,0
Oc1ccc(C(c2ccc(O)cc2)n2cncn2)cc1,0,0,0,0
COc1cccc2sc3cc(NCCCN4CCOCC4)ccc3c(=O)c12,0,0,0,0
CCOC(=O)c1sc(N(C)C(C)=O)nc1C,0,0,0,0
COc1ccc(C2CC(=O)c3cc(OC)c(OC)cc32)cc1OC,0,0,0,0
Oc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C3(C(F)(F)F)CC3)[nH]2)c(C)c1,0,0,0,0
NC(=O)NN=Cc1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
O=[N+]([O-])c1ccc2nc(-c3ccncc3)[nH]c2c1,0,1,0,0
Cn1cnc2cc(-c3ccc(N4CCCC4=O)cc3)nc(N3CC[C@H](CO)C3)c2c1=O,0,0,0,0
N#CCCn1cc(CNC2CCC(O)CC2)c2ccccc21,0,0,0,0
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c[nH]c3ccccc23)cc1,1,0,0,0
CCCN(CCC)c1nc(-c2ccccn2)nc2ccccc12,0,0,0,0
O=S(=O)(c1ccc2c(c1)CCNCC2)N1CC(Oc2cccc(Cl)c2)C1,0,0,0,0
O=C1c2ccccc2NC(c2cccc(F)c2)N1Cc1ccccc1,0,0,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3[C@H](C)CCC[C@@H]3C)cc2)c2ccc(O)cc12,0,0,0,0
CCOc1ccc2nc(NN=C3C(=O)NC(=S)NC3=O)sc2c1,0,0,0,0
Cc1ccc(CNc2ccc(N3CCOCC3)c(Cl)c2)cc1,0,0,0,0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C(=O)c1ccncc1)c1ccc2oc3c(c2c1)CCCC3,1,0,0,0
CC[C@H](C)C[C@H](C)CCCCCCCCC(=O)N[C@H]1C[C@@H](O)[C@@H](NCCN)NC(=O)[C@@H]2[C@@H](O)CCN2C(=O)[C@H]([C@H](O)CCN)NC(=O)[C@H]([C@H](O)[C@@H](O)c2ccc(O)cc2)NC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@H]([C@@H](C)O)NC1=O,0,0,0,0
COc1ccc(-c2[nH]c3cc(C#N)c(C#N)cc3c2Cl)cc1,0,0,0,0
COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C)cc2)c1,0,0,0,0
Cc1cn(-c2cc3c(c(C4CCCC4)c2)C(=O)NCC3)c2c1C(=O)CC(C)(C)C2,0,0,0,0
C[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,0,0,0,1
CC(c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(Oc2cccnc2)C1,0,0,0,0
CC1(C)OC(=O)N(C2CCC(c3ccc(N)nc3)CC2)[C@H]1c1ccccc1,0,0,0,0
COc1cc(OC)c(OC)cc1CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,1,0,0,0
COc1ccc(C2=Nc3ccccc3N=C(c3cccs3)N2)cc1,0,0,0,0
Cc1ccc(N(Cc2cccs2)C(=O)c2ccccc2[N+](=O)[O-])cc1,0,0,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N,0,0,0,0
CN(C)c1ccc(NC(=O)Cn2cc3c(n2)CCCC3)cc1,0,1,0,0
CC1=C([N+](=O)[O-])C(c2ccccc2C(F)(F)F)NC(=O)N1C,0,0,0,0
O=C(NNc1c2ccccc2nc2ccccc12)c1cccc(O)c1,0,1,0,0
Cc1ccc(CSc2nc3cccnc3n2Cc2ccc(C(=O)NC3CC3)cc2)cc1,0,1,0,0
N#Cc1ccc(-c2ccco2)nc1SCc1ccccc1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(C)(C)C(F)(F)F)[nH]2)c(C)c1,0,0,0,0
CCOC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21,0,0,0,0
O=C(c1cccnc1)c1nc(C(F)(F)F)nc2ccsc12,0,0,0,0
Cc1nnc(N2CCC3(CCCN(Cc4c[nH]c5ccccc45)C3=O)CC2)c2ccccc12,0,0,0,0
Cn1c(=O)cc(SCC(=O)N2CCC3(CC2)OCCO3)c2ccc(Cl)cc21,1,0,0,0
Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
NNc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,1,1,0,0
COc1cccc(NC2=Nc3cccc4cccc2c34)c1,0,1,0,0
COc1cccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1OC,0,0,0,0
N#CC=CN1CCN(C(=O)c2ccco2)CC1,0,0,0,0
COc1ccc(-c2cc3ccccc3n2CC(O)CNCCO)cc1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(C(C)(C)O)S1)c1ccccc1F,0,0,0,0
Cc1cc(-c2ccccc2)n2nc(-c3ccc(Cl)cc3)cc2n1,0,0,0,0
O=Cc1c[nH]c2c1ccc1c3cc(Br)ccc3[nH]c12,0,0,0,0
N#Cc1cccc(CNC2CCC(n3cnc4cnc5[nH]ccc5c43)CC2)c1,0,0,0,0
COCc1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,0,0,0,0
CCc1cc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(C)cn3)nn(C)c2=O)n(C)n1,0,0,0,0
Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)NCc2ccc3c(c2)OCO3)cc1,1,0,0,0
FC(F)(F)c1nnc2c(Sc3ccccc3)nc3ccccc3n12,0,0,0,0
COC1=C(C)C(=O)C2=C(C1=O)C1C3CC4=C(C(=O)C(OC)=C(C)C4=O)C(CNC(=O)C(C)=O)N3C(C#N)C(C2)N1C,0,0,0,0
Cc1ccc(NC(=O)O/N=C/c2ccc(N(C)C)cc2)cc1,0,1,0,0
CC(C)c1ccncc1-c1cc(F)c(O)c(F)c1,0,0,0,0
COc1ccc2occ(C(=O)c3cccs3)c2c1,0,1,0,0
O=S(=O)(c1ccccc1)N1CCN(C(=S)Nc2ccc(F)cc2)CC1,0,0,0,0
c1ccc(CN2CCN(c3nc4ccccc4n4cccc34)CC2)cc1,0,0,0,0
Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cnc5ccc(F)cc5c4)CC3)nc2)c1,0,0,0,0
CC1CCN(C(=O)Nc2cccc(NC(=O)N3CCC(C)CC3)c2)CC1,0,1,0,0
O=C(O)COc1ccc(Cl)cc1C1c2sc(-c3ccccc3)nc2CCN1C(=O)OCc1ccccc1,0,0,0,0
CC(O)[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,0,0,0,1
COc1cccc(-c2ccc(/C=C/[C@H]3[C@@H]4CCCC[C@H]4C[C@H]4C(=O)O[C@H](C)[C@@H]34)nc2)c1,0,0,0,0
CCc1ccc(CN(C)C(=O)c2cc(COc3ccc(OC)cc3Cl)on2)nc1,1,1,0,0
COc1ccc(-c2nnn3c2nc(NCc2ccc(C)cc2)c2ccccc23)cc1,0,0,0,0
CCc1ccccc1-n1nc(OC2CCN(S(C)(=O)=O)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
CCCn1c(-c2ccc(F)cc2)n[nH]c1=S,0,0,0,0
NC(Cc1ccc(=O)[nH][n+]1[O-])C(=O)O,0,0,0,0
Cc1ccc2c(-c3nnc(SCCCN4CCc5cc6c(cc5CC4)OCCN6)n3C)cccc2n1,0,0,0,0
NCCCCN(Cc1nccc2c3ccccc3n(Cc3ccccc3)c12)[C@H]1CCCc2cccnc21,0,0,0,0
O=C(O)c1cccc(Nc2ccccc2OCc2ccccc2)n1,0,0,0,0
Cc1ccc(S(=O)(=O)NCCn2c(C)cc3ccccc32)cc1,1,0,0,0
COc1cc(C=NNC(=O)c2ccc(=O)[nH]n2)cc(OC)c1OC,0,0,0,1
C[C@@H](O[C@H]1CC[C@@H]2CNC[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ncccc12,0,0,0,0
CC(C)(C)c1nc(-c2cccc(NS(C)(=O)=O)c2Cl)c(-c2ccnc(N)n2)[nH]1,0,0,0,0
Cc1cn2c(=O)c(S(=O)(=O)NCc3ccccc3Cl)c(C)nc2s1,0,0,0,0
Cc1nc2cc3c(cc2n1CC(C)C)C1CNCC3C1,0,0,0,0
COC(Cc1ccc(OCCc2nc(-c3ccccc3C)oc2C)c2ccccc12)C(=O)O,0,0,0,0
Cc1cccc(OCc2nnc(SC(C)C(=O)O)n2Cc2ccccc2)c1,0,0,0,0
O=C(c1cc[n+]([O-])cc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(-c2cnco2)cc1,0,0,0,0
Nc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
Oc1ccc2c(c1)CN(c1ccc(OCCN3CCCCC3)cc1)c1c-2ccc2cc(O)ccc12,0,0,0,0
CCOc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCF,0,0,0,0
CC(C)(C)c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1,1,1,0,0
Cc1c(C)c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2oc1=O,0,0,0,0
c1cc(Nc2cc(C3CC3)[nH]n2)nc(NCc2ccc3[nH]ccc3c2)n1,0,0,0,0
CN1CCN(c2cc3cc(F)ccc3n3cccc23)CC1,0,0,0,0
CS(=O)(=O)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,0,0,0,0
Oc1ccc2c(c1)OC(c1ccc(OCCN3CCCC3)cc1)C1=C2COc2cc(O)ccc21,0,0,0,0
C=CCNc1nc2cc(-c3ccc(N4CCN(C(C)C)CC4)cc3)sc2c(=O)n1C,0,0,0,0
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCN(c2nnnn2-c2ccccc2)CC1,0,0,0,0
CCCCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0,0,0
CCOC(=O)Cn1nc(C=Cc2ccccc2)ccc1=O,0,0,0,0
N#Cc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
N#Cc1c(-c2ccc(C(F)(F)F)cc2)cc(-c2ccccc2)[nH]c1=S,0,0,0,0
O=C(Oc1ccc(Cl)cc1)c1ccc2nccnc2c1,0,1,0,0
COCCNCc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
CCOC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,0,0,0,0
COc1cccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)c1,0,0,0,0
Nc1nonc1-n1nnc(C(=O)NN=Cc2ccc(Br)cc2)c1CN1CCOCC1,1,0,0,0
COc1cc2c(Nc3ccc(Br)c(Cl)c3Cl)ncnc2cc1O[C@@H]1C[C@H]2OC[C@H](OC)[C@H]2O1,0,0,0,1
O=C(/C=C/c1cn(CC(O)CN2CCCCCC2)c2ccccc12)c1ccccc1,1,0,0,0
CC(C)N1C(=O)C(=NNC(=O)Cc2csc(N3CCOCC3)n2)c2ccccc21,1,0,0,0
c1ccc2nc(CCc3cn4c(-c5ccc(Sc6cn[nH]n6)cc5)cnc(N5CCOCC5)c4n3)ccc2c1,0,0,0,0
CCCC1=NC(C(F)(F)F)(C(F)(F)F)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CC(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1,0,0,0,0
CCCc1nc(C(=O)OCC)c2c(C)nc3ccc(OC)nc3n12,0,0,0,0
CCCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2(C)C)C1=O,0,0,0,0
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O,0,0,0,0
Cc1n[nH]c(N2CCCCC2)c1[N+](=O)[O-],0,0,0,0
Clc1cccc(Cl)c1-c1nnc2cccc(Cl)n12,0,0,0,0
CC(C)Oc1ccccc1OCCN1CCC(CNS(=O)(=O)c2cccc(Cl)c2F)CC1,0,0,0,0
c1ccc(-c2nc(-c3cccs3)[nH]c2-c2ccccc2)cc1,0,0,0,0
C#CCOC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O,0,1,0,0
COCC#CC(=O)Nc1cc2c(Oc3ccc(C(=O)Nc4ccccn4)cc3)ccnc2cc1OC,0,0,1,0
Cc1c(OC(C)C(=O)NCCCN2CCOCC2)ccc2c1oc(=O)c1ccccc12,1,0,0,0
O=C(CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)N1CCN(c2ccccn2)CC1,1,0,0,0
O=C1CCCN1CC(O)CS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1[nH]nc2ccc(C(=O)N3CCC4(CC3)CC(=O)c3ncccc3O4)cc12,0,0,0,0
O=C(NCC(F)(F)F)Nc1cncc(-c2cnc3cc(-c4ncccn4)ccn23)c1,0,0,0,0
O=S(=O)(NCCCN1CCN(c2noc3ccccc23)CC1)c1cccs1,0,0,0,0
Cc1ccn(-c2ccc(Cl)cc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1,0,0,0,0
O=[N+]([O-])c1ccc(Cl)cc1CNc1ccc(F)c(F)c1,0,0,0,0
COC(=O)c1ccc(CN2C(=O)NC3(CCC(C)CC3)C2=O)cc1,0,0,0,0
CCOCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0,0,0
COc1cnc2c(NCc3nnc4c(F)cc(-c5cc(C)ns5)cn34)ccnc2c1,0,0,0,0
NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
CC(OC(=O)c1ccc2ncsc2c1)C(=O)N1CCCC1,0,0,0,0
CN(C)CCCc1cccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)c1,0,0,0,1
Nc1nccc(-n2cc(-c3ccoc3)c3cnccc32)n1,0,0,0,0
CCN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0,0,0,0
N#CC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1,0,0,0,0
CC(C)(C)c1ccc(CN2CCc3cc(S(=O)(=O)Nc4ccc(OCCCc5ccccc5)cc4F)ccc3C2)cn1,0,0,0,0
CCC1Oc2ccc(Cl)cc2N(CC(=O)O)C1=O,0,0,0,0
COc1ccc(CN2CCN(C(=O)C3CC(=O)N(C4CCCCCC4)C3)CC2)c(OC)c1OC,1,0,0,0
Cc1ccc(S(=O)(=O)N(C)N=CC=Cc2ccccc2)cc1,0,0,0,0
COc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1OC,0,0,0,0
CCOC(=O)C1C(=O)NC(N2CCOCC2)=NC1c1ccco1,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2ccc(C[C@@H]3CC[C@H]([C@H](O)c4ccccc4)N3)cc2)CC1,0,0,0,0
COc1cc2ncc(C(N)=O)c(Nc3ccc(Cl)c(Cl)c3)c2cc1N1CCN(C)CC1,0,0,0,0
CCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,0,0,0,0
COc1cccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccc(C)cc4)c(=O)c3c2)c1,1,0,0,0
Oc1ccc2c3c1OC1c4c(c5ccccc5n4Cc4ccccc4)CC4(O)C(C2)N(CC2CC2)CCC314,1,0,0,0
CCNC(=S)NCCc1c(C=C2C(=O)N(C)C(=O)N(C)C2=O)[nH]c2ccccc12,0,0,0,0
CCNC(=S)Nc1cc(OCC)c(N2CCOCC2)cc1OCC,0,0,0,0
COC1=CC(=Cc2c(-c3ccc(OC)cc3)[nH]n(-c3ccccc3)c2=O)C=CC1=O,0,0,0,0
O=C(Oc1cccc(-n2cnnn2)c1)c1ccccc1,0,0,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3C)c(NC)n2)ccc1C,0,0,1,0
N#Cc1ccc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)nc1,0,0,1,0
CCCN1CN(c2ccccc2)C(=S)N(c2ccccc2)C1,0,0,0,0
CCOC(=O)C/C(C)=N/NC(=O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
C(=NN(c1ccccc1)c1ccccc1)c1ccc2c(c1)OCO2,1,0,0,0
COc1cc(C)ccc1OCCSc1nc2ccc(NC(C)=O)cc2s1,1,0,0,0
COc1ccc(/C=N\N=C2/SC(CC(=O)O)C(=O)N2c2ccc(O)cc2)cc1OC,0,0,0,0
C=CCSc1nc2ccsc2c(=O)n1-c1ccccn1,0,0,0,0
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCNCC1,0,0,0,1
C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)c2cccc3cccc(c23)C1=O)CCCN1C(=O)c2cccc3cccc(c23)C1=O,1,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(C#N)c1,0,0,0,0
CC(C)Nc1cncc(-c2c[nH]c3ccc(-c4noc(N)n4)cc23)n1,0,0,0,0
CCOC(=O)CCc1cccc(-c2cc(C)cc(Nc3nccc(OC)n3)c2)c1,0,0,0,0
CC(C)c1ccccc1OCC1=NCCN1,0,0,0,0
COc1cc(OC)c(OC)cc1C=C1Oc2cc(OCC(=O)N3Cc4ccccc4CC3C(=O)O)ccc2C1=O,0,0,0,1
Cc1nc2ccc(Cl)cc2c(=O)n1-c1ccccc1Cl,0,0,0,0
CCCS(=O)(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1,0,0,0,0
CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C1=CCN(C(=O)OC(C)(C)C)CC1,0,0,0,0
Cc1ccc(CNc2cc(OC[C@@H]3C[C@H]3c3ccccn3)nn(C)c2=O)c(C)n1,0,0,0,0
N#CC(=Cc1cc(Cl)cc(Cl)c1O)C(=O)NC1CCCCC1,1,0,0,0
Cc1cscc1-c1cc(C(N)=O)nc2ccccc12,0,0,0,0
Cc1occc1-c1nc(-c2ccccn2)no1,0,1,0,0
COc1cc(CN(C)C)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
COC(=O)c1c(NC(=O)C2SC(=NC3CCCCC3)C(C(N)=O)=C2N)sc2c1CCCC2,1,0,0,0
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C,1,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3)nc2n1,0,0,0,0
CC1(C2CCCC2)Cc2cc(OCCCCc3nn[nH]n3)c(Cl)c(Cl)c2C1=O,0,0,0,0
Fc1ccc(CN(CC2CCC2)C2CCNCC2)c(C(F)(F)F)c1,0,0,0,0
NC(=O)c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1,0,0,0,1
COc1cccc(C2C(C(=O)Nc3ccccc3)=C(C)N=C3NC(c4ccccc4)=NN32)c1OC,1,0,0,0
COc1ccc(C(C)C)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1,0,0,0,0
Cc1ccc(NC(=S)N(CCCN2CCC(C)CC2)Cc2ccco2)cc1C,0,0,0,0
CC1CC(O)C2(CO)C(CO)=CCCC2C12CC(c1ccoc1)OC2=O,0,0,1,0
Cc1ncc(S(=O)(=O)NCCOc2ccc3c(c2)C(Cc2cccc(Cl)c2)C(N)CC3)[nH]1,0,0,0,0
COc1ccc(Nc2nc(NCc3ccco3)nc(N/N=C/c3ccccc3)n2)cc1,1,0,0,0
Cc1cc(N)ccc1N1CCCC1,0,0,0,0
Cc1ccc(S(=O)(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccccc3)cc2)cc1,0,0,0,0
CN1C(=O)Cc2ccc(-c3cc(F)c(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)s3)cc21,0,0,0,0
COC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12,0,0,0,0
Cc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)n[nH]1,0,0,0,0
O=C(O)C[C@H](Cc1nc(CCCCNc2cc(N3CCOCC3)ccn2)no1)c1ccc2c(c1)OCO2,0,0,0,0
O=C1Cc2ccccc2N1CCCCCCCN1CC[C@H]2CCCC[C@@H]2C1,0,0,0,0
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3F)n(C3CCOCC3)c2n1,0,0,0,0
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1O[C@H]1CCOC[C@@]12C,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC(C)(C)NC4(C)C)cc2)CC1,1,0,0,0
COC(=O)c1sccc1NC(=O)c1cc(-c2cccc(C)c2)nc2ccccc12,1,0,0,0
COc1ccc(CC2(CO)CCN(Cc3cccc4nccnc34)CC2)cc1,0,0,0,0
CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCN(C)S(=O)(=O)c2nccs2)c1,0,0,0,0
Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc([N+](=O)[O-])c1,0,0,0,0
O=S(=O)(c1cccc(CO)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1,0,0,0,0
O=C(NO)c1cnc(NC2(c3cccs3)CCCCC2)nc1,0,0,0,0
CN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12,0,0,1,0
Cn1cc(-c2cc(CS(C)(=O)=O)cnc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O,0,0,0,0
CC1CCCC(=CNc2ccc3c(c2)OCO3)C1=O,0,0,0,0
CCCCC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O,0,0,0,0
O=C(Nc1ccon1)N1CCN(c2nc(-c3ccccc3)ns2)CC1,0,0,1,0
CCCCOc1ccc(C=NNC(=S)Nc2cccc(C)c2C)cc1,0,0,0,0
CCOc1cc(CNCc2cccnc2)ccc1OCC(=O)NC(C)(C)C,0,0,0,0
O=C1CCCCC1Sc1nnc(Nc2ccccc2)s1,0,1,0,0
CCOc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1,0,0,0,0
CCn1c(NC(=O)C(C)C)c(-c2cccs2)c(=O)c2ccccc21,0,0,0,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(C)cc(C)c2)CC1,1,0,0,0
COc1ccc(OC)c(CNc2ncc(-c3cccc([N+](=O)[O-])c3)n2C)c1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(Cc2ccc3[nH]ccc3c2)CC1,0,0,0,0
NC(=O)COc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(Oc2c(C)oc3cc(OC(=O)N(C)C)ccc3c2=O)cc1,0,0,0,0
COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3Cc3ccccc3)CC2)cc1,1,0,0,0
COc1ccc(Oc2ncc3nc(CCc4ccccc4)c(=O)n(C4CC4)c3n2)cc1,0,0,0,0
CNC(=O)c1ccc(C)c(-n2cnc3ccc(N4CCN(C)CC4)cc3c2=O)c1,0,0,0,0
OC(COc1ccc2c(c1)OCO2)CN1CCN(c2ccccc2)CC1,0,0,0,0
Cc1nc(CCNS(=O)(=O)c2cccnc2)cs1,0,0,0,0
CCCc1c(OCCCCOc2ccc(-c3nn[nH]n3)cc2)ccc2c1ccn2CC(C)C,0,0,0,0
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1ccc(F)cc1,1,0,0,0
Cc1nc(-c2ccc(-c3ccon3)s2)no1,0,0,0,0
Cc1ccc(NC(=S)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)cc1,0,0,0,0
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[C@]12C,0,0,0,0
CC(=O)OCC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)C2S(=O)(=O)C1,0,0,0,0
CC(C)S(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,0,0,0,0
c1coc(CSCc2cn3cccnc3n2)c1,0,0,0,0
COC(=O)[C@@H](NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)C(C)C,0,0,0,0
O=C(OC(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)C1CCCCC1,0,0,0,0
O=C(OCC(=O)N1CCc2ccccc21)c1ccc(Cl)nc1,0,0,0,0
Cc1cc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)ccc1[N+](=O)[O-],0,1,0,0
CCCCCCC(C)(C)c1ccc(-c2cccnc2)c(O)c1,0,0,0,0
COc1ccccc1/C=C/C(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1C(F)(F)F,0,0,0,0
S=C(SSC(=S)N1CCOc2ccccc21)N1CCOc2ccccc21,0,0,1,0
CC1(CNC(=O)N2CCCC[C@H]2C(=O)OCc2cccc(Oc3ccccc3)c2)CCCCC1,0,0,0,0
COc1cccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccccc4)c(=O)[nH]c3c2)c1,0,1,0,0
N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2F)C(=O)c2ccc3ccccc3n2)cc1,0,0,0,0
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)nc1,0,0,0,0
CCOc1cc(CNCCN2CCOCC2)ccc1OCc1ccccc1Cl,1,0,0,0
COc1ccccc1CNc1ccnc(-c2ccc3c(c2)OCO3)n1,0,0,0,0
CCCCCCCCCCCCN1C(CC(=O)O)c2cc(F)ccc2S1(=O)=O,0,0,0,1
O=C1OC2(CCC(CNc3ccc(-c4ncccc4F)cn3)CC2)CN1c1cccnn1,0,0,0,0
COc1ccccc1N(CN1CCCC1=O)C(=O)c1c(F)cccc1F,0,0,0,0
CCCCOP(=O)(OCCCC)C(Nc1ccc(C(=O)OCC)cc1)c1ccncc1,1,0,0,0
CO[C@@H](C)C(=O)Nc1ccc(F)c([C@]23COC[C@H]2S(=O)(=O)C(C)(C)C(N)=N3)c1,0,0,0,0
CN1C(=O)Cc2ccc(-c3sc(CC(C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3Br)cc21,0,0,0,0
O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(Cl)Cl)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
Cc1cccc2c(=O)n(N)c(CCCCN3CCN(c4ccc5ccccc5n4)CC3)nc12,0,0,0,0
COc1cc(-c2ccc3sc(-c4ccsc4)c(C#CCO)c3c2)cc(OC)c1OC,0,0,0,0
COc1ccccc1CN[C@@H]1C2CC[N+](Cc3ccccc3)(CC2)[C@@H]1C(c1ccccc1)c1ccccc1,0,0,0,0
O=C1CC(Nc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1,0,0,0,0
COc1cccc([C@@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)c1,0,0,0,0
Cc1ccc(S(=O)(=O)N=C(c2ccccc2)N2CCOCC2)cc1,0,0,0,0
C[C@@H]1CCCN1CCc1ccc(-c2ccc(S(N)(=O)=O)cc2)cc1,0,0,0,0
CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1C,1,0,0,0
Cc1ccc(C(=O)OCC2OC3OC(C)(C)OC3C2O)cc1,0,0,0,0
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OCC(=O)O)ccc3c2=O)c1,0,0,0,0
COc1cc(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)cc(OC)c1OC,1,0,0,0
CCCCC(=O)OCC(=O)N1N=C(c2c[nH]c3ccccc23)C(O)C1c1ccc(OC)cc1,0,0,0,0
N=C(N)NN=Cc1ccc(N2CCOCC2)cc1,0,0,0,0
COc1ccc(-c2c(-c3ccc(S(C)(=O)=O)cc3)oc3ccccc23)cc1Cl,0,0,0,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C)c(Cl)[nH]1,0,0,0,0
CCOc1ccc(NC(=O)Nc2cccnc2)cc1,0,1,0,0
O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC(F)(F)F)ccc2[nH]1,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc([C@H](O)C(F)(F)F)cc2)n1,0,0,0,0
CCn1cc(CNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)cn1,1,0,0,0
O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)oc1C(F)(F)F,1,0,0,0
CC(C(=O)N1c2ccccc2Sc2ccccc21)[N+]1(C)CCCC1,0,0,0,0
O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
COc1cc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)ccc1O,0,0,0,0
CCC(C)C1NC(=O)C2CCCN2C(=O)C(NC(C)=O)C(C)OC(=O)C(Cc2ccc(OC)cc2)N(C)C(=O)C2CCCN2C(=O)C(C(C)C)NC1=O,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C(C)C)cc3)c(F)c2)CC1,0,0,0,0
CNC(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1,0,0,0,0
COc1cc(Br)cc(CNc2ccc(F)c([N+](=O)[O-])c2)c1O,0,0,0,0
COc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1,0,0,0,0
O=C1c2oc3ccc(Cl)cc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,0,0,0,0
Nc1ccc(-c2nc(-c3ccccc3)nc3ccccc23)cc1,0,0,0,0
O=C1C2Sc3[nH]c(=O)sc3C(c3ccccc3)C2C(=O)N1c1ccc(Cl)cc1,0,0,0,0
CNc1nc2[nH]c(-c3cccc(F)c3)cc2c2c1ncn2C,0,0,0,0
Fc1ccccc1C=NNC(=S)Nc1ccc(Cl)cc1Cl,0,0,0,0
NC1CCCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)C1,0,0,0,0
O=C(/C=C/c1ccco1)NC(=S)Nc1cccc([N+](=O)[O-])c1,1,0,0,0
Cc1ncsc1C(=O)N1CCCC(C(=O)c2ccc3ccccc3c2)C1,1,0,0,0
CCc1cnc2c(N3CC(NC)C3)nc(N)nc2c1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1ccc(Cl)cc1,0,0,0,0
Fc1ccc(NC(=S)Nc2cccc3ccccc23)cc1F,0,0,0,0
CC(C)C(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O,0,0,0,0
N#Cc1c(-c2cccc(F)c2)c(C(N)=O)c2n1CCN(C(=O)NCCCC(F)(F)F)C2,0,0,0,0
CN(C)c1ccc(-c2nc3c(N4CC5CCN(Cc6ccccc6)C5C4)ncnc3o2)cn1,0,0,0,0
CN(C)CCn1c(=O)ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c21,0,0,0,0
CC(C)CCNC(=O)C1CCC(CNc2c(N3CCC(C)CC3)c(=O)c2=O)CC1,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(SC)cc2)nc2ccc(Cl)cc12,0,0,1,0
O=C(O)CC1SC(=N/N=C/C=C/c2ccccc2[N+](=O)[O-])NC1=O,0,0,0,0
Oc1ccc(-c2[nH]nc(-c3ccccc3)c2-c2nc3ccccc3[nH]2)cc1,0,0,0,0
Cc1ccc(O)cc1Nc1cc(NCCCN2CCNCC2)nc(-n2cnc3ccccc32)n1,0,0,0,0
COc1cc2ncnc(Nc3ccc(N4Cc5ccccc5C4)cc3)c2cc1OC,0,0,0,0
CC1(C2CCC3C4CC=C5CC(O)CCC5(C)C4CCC32C)CCC(=O)O1,1,0,0,0
CCOc1ccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)cc1,0,0,0,0
CCOc1ccc(C(=S)N2CCCC2)c(OCC)c1,0,0,0,0
Cn1cc(/C=C/c2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc21,1,0,0,0
CSc1nnc(C2CCCN(CC(=O)Nc3ccccc3N3CCOCC3)C2)n1C(C)C,1,0,0,0
Fc1ccc(Oc2cc(N3CCOCC3)nc(-c3ccccc3)n2)c(F)c1,0,0,0,0
Cn1c(SCc2n[nH]c(=S)n2-c2ccccc2)nnc1-c1ccccc1,0,0,0,0
COc1ccc(CCN=C(N)NS(=O)(=O)c2ccc(F)cc2)cc1,0,0,0,0
O=S(=O)(Cc1ccccc1)NCC1CCCN(Cc2ccc3nonc3c2)C1,0,0,0,0
O=C(O)CSCC(=O)Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1,0,0,0,0
COc1ccc(CSc2nc(=O)cc(O)n2CC(C)C)cc1F,0,0,0,0
CC(C)c1nsc(-c2nnc3n2CCN(C(=O)c2ccc(-c4cccs4)cc2)[C@H]3C)n1,0,0,0,0
CCCCOc1ccc(C2=NNC(=O)CC2)cc1,0,0,0,0
O=C(NC1=CC(=O)/C(=C2/Nc3ccccc3S2)C=C1)C1=COCCO1,1,0,0,0
CCc1cc(-c2n[nH]c(C)c2-c2ccccc2Cl)c(O)cc1OC,0,0,0,0
COc1ccc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc1OC,0,0,0,0
Cn1c(=O)c(-c2ccccc2)nn2c3ccccc3nc12,1,0,0,0
O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1c1cccc(C(F)(F)F)c1,0,0,0,0
Cc1ncn(-c2ccc(Cl)cc2C2=CC(=O)N([C@@H]3CCC[C@H](C)C(=O)Nc4ccccc4-c4ccnc3c4)CC2)n1,0,0,0,0
CC(CCc1ccccc1)NC(=O)CN(C)Cc1ccccc1F,1,0,0,0
O=S(=O)(c1cccs1)N1CN(C2CCCC2)c2nc3ccccc3nc21,0,0,0,0
CCOC(=O)c1ccc(NCc2ccc(N(C)C)cc2)cc1,0,0,0,0
Cn1ccc2cc(-c3cc4c(N[C@H]5CCCNC5)ncc(C(N)=O)c4s3)ccc21,0,0,0,0
Cc1ccc2c(c1)C(N=O)C(=O)N2,0,0,0,0
CC(=O)N(C)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1ccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1,1,0,0,0
O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COC3CCOCC3)cc21,0,0,0,0
O=C(O)c1csc(-n2nc(N3CCCCC3)c3ccccc32)n1,0,0,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccccc2)C3)c1C,0,0,1,0
CC(=O)NCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12,0,0,0,0
CC1=NN(c2ccccc2)C(=O)/C1=C\c1cn(C)c2ccccc12,0,1,0,0
Cc1ccc(-c2nc(SCC(=O)Nc3cc(S(=O)(=O)N4CCCCC4)ccc3Cl)n[nH]2)cc1,0,1,0,0
O=C1C(Oc2ccccc2)C(c2ccc3c(c2)OCO3)N1CCc1ccc(F)cc1,0,0,0,0
CCOC(=O)C1=C(COc2ccc(F)cc2Cl)NC(=O)NC1c1cc(C)ccc1C,0,0,0,0
O=C(C1=CC2C3C(=O)N(c4cccc(Cl)c4)C(=O)C3C(C(=O)c3ccc(Cl)cc3)N2C=C1)c1ccccc1,1,0,0,0
Cc1cccc(C)c1Nc1nn2c(=O)c3cc4c(cc3nc2s1)OCO4,0,0,0,0
CN(C)C(=O)c1ccc(N(Cc2cccc(O)c2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
O=c1cc(-c2cccc(-c3cccc(O)c3)c2)sc(N2CCOCC2)c1,0,0,0,0
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1ccccc1C(=O)OC)C2c1ccc(F)cc1,1,0,0,0
Clc1cc2cccnc2c2ccccc12,0,0,0,0
CCS(=O)(=O)c1cccc(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)c1,0,0,0,0
Cc1onc(-c2ccccc2)c1-c1ccnc(N)n1,0,0,0,0
CN(C)CCCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,0,0,0,0
COCCn1ccc(-c2nc(C)nc3c2C[C@H](C)N(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)n1,0,0,0,0
CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2)CC1,0,0,0,0
CN(CCCn1c(=O)oc2cc3c(cc21)C(c1ccc(Cl)cc1)CC3=O)Cc1ccccc1,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4ncc(Br)c4CO)cc[nH]c3=O)nc12,0,0,0,0
O=S(=O)(N=C(c1ccccc1Cl)N1CCOCC1)c1ccccc1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3cc(Cl)cc(Cl)c3)CC2)C1,0,0,0,0
O=S(=O)(c1ccccc1)N1CCCC2(CCN(c3ccncc3)C2)C1,0,0,0,0
CN1CCc2nc3sc(C(=O)NC(C)(C)C)c(N)c3cc2C1,0,0,0,0
C=CC(=O)Nc1cc(Cl)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
COC(=O)C1(O)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,0,0,0,0
CC(C)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
CC(C)C(c1nnnn1C1CCCC1)N1c2ccccc2CC1C,0,0,0,0
c1ccc(C2COC(c3cccs3)=N2)cc1,0,0,0,0
CC(C)n1nc(-c2cnc(N)c3cn[nH]c23)cc1C1[C@H]2CN(C3COC3)C[C@@H]12,0,0,0,0
Cc1ccc(-c2csc3ncnc(-n4cnc5ccccc54)c23)cc1,0,0,0,0
CC12CCC3C(C)(C)C(O)CCC3(C)C1Cc1c(oc(C(=O)O)cc1=O)O2,0,0,1,0
CC1(C)CC(=O)c2cnc(N3CCN(c4ccccc4)CC3)nc2C1,0,0,0,0
CCN1CCN(Cc2c(O)ccc3c(C)cc(=O)oc23)CC1,0,0,0,0
Cc1cc2oc(=O)cc(CSc3nnc(C)n3N)c2cc1C(C)C,0,0,0,0
CCC(=O)NNc1ncnc2ccccc12,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O,0,0,0,0
Nc1nc(N)c2nc(CN(CCCC(=O)O)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,0,0,0,0
O=C(CCN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1F,1,0,0,0
CN(Cc1ccccc1)CC(O)COc1ccc(CNCCCOc2cccnc2)cc1,0,0,0,0
CCOC1CN(C)CCN1c1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1,0,0,0,0
COc1ccc(OCCCn2c(=O)oc3ccc(C)cc32)cc1,0,0,0,0
NC(=O)N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1,0,1,0,0
Cc1noc(C)c1CSc1nnc(-c2ccccc2)n1Cc1ccco1,0,0,0,0
CC(F)(F)Cn1cc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC1CN(S(C)(=O)=O)C1,0,0,0,0
COc1cc2c(cc1O)C1Cc3ccc(OCCCO)c(OC)c3CN1CC2,0,0,0,0
Cc1nc(N)sc1CCN,0,0,0,0
C=CCc1ccc(OCCCCOc2ccc(C(=O)O)cc2)c(OC)c1,0,1,0,0
CCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1,0,0,0,0
OC(CN(Cc1ccc(F)c(-c2ccco2)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F,0,0,0,0
COc1cc(Cl)c(-c2nc(SCC(=O)N(C)C)nc3[nH]cc(C#N)c23)cc1O,0,0,0,0
O=C1/C(=C/c2cccnc2)N2CCC1CC2,0,0,0,0
Fc1ccc(-c2cc(-c3cccc(Cl)c3)[nH]c2-c2ccncc2)cc1,0,0,0,0
CCCc1nc(C)c2c(NC(C)=O)nc3ccc(OC)nc3n12,0,0,0,0
CC(C)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1,0,0,0,0
Cc1ccc([C@@H]2C[C@H]2COc2cc(NCc3ccc(C)nc3)c(=O)n(C)n2)nc1,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)C(CO)NCC3,0,0,0,0
O=C(O)CNC(=O)c1ncc(-c2ccccc2Cl)cc1O,0,0,0,0
COc1ccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)cc1,0,0,1,0
CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2)C(=O)NCCCn2ccnc2)c2ccccc21,1,0,0,0
CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(CO)cc4)n[nH]c2-3)CC1,0,0,0,0
COc1ccc(CNC(=O)COC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1OC,1,0,0,0
Cn1cc(Br)c(C(=O)N/N=C/c2cccc(OC3CSC3)c2)n1,0,1,0,0
O=C(O)C(Cc1ccccc1)n1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
CCC(CC)C(=O)Nc1cc(-c2ccccc2F)nn1-c1ccccc1,0,0,0,0
CCC1CCCCN1C(=O)Cn1c(=O)n(-c2ccccc2C(F)(F)F)c(=O)c2c(C)c(C(=O)N(C)C)sc21,1,0,0,0
O=c1nc(SCC2CCCCO2)[nH]c2ccccc12,0,0,0,0
N#Cc1ncc2nc1OC/C=C\COc1ccc(OCCCCCN3CCCOC3)cc1NC(=O)N2,0,0,0,0
Nc1nc(NC2CC2)cc(-c2cccc(Cl)c2Cl)n1,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4OC)cc32)cc1C,0,0,0,0
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1cc(OC)ccc1OC,0,0,0,0
N#C[C@@H]1CCCCC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
Cc1ccc(C2(CCNC(C)c3cccs3)CCOC(C(C)C)C2)cc1,0,0,0,0
CN(C)c1ccc2c(c1[N+](=O)[O-])Cc1ccccc1-2,0,0,0,0
CCCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1,0,0,0,0
COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(C(F)(F)F)c(O)cc2O)cc1,0,0,0,0
Cc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)C1,1,0,0,0
c1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1,1,0,0,0
O=c1[nH]c(SCc2ccccc2Cl)c2c(c1Br)CCCC2,0,0,0,0
C=CCSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
O=S(=O)(Cc1ccc(Cl)s1)c1cn(C2CCNC2)c2ncccc12,0,0,0,0
O/N=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,0,0,0,0
Brc1cc(Br)cc(C2=NCCCC2)c1,0,0,0,0
CC(C)(C)NC(=O)C1CCC(CNc2c(N3CCCCC3)c(=O)c2=O)CC1,0,0,0,0
CCN1C(=O)N(c2c(F)c(OC)cc(OC)c2F)Cc2cnc3[nH]c(CN4CCOCC4)cc3c21,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)NC)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
O=c1[nH]ccc2[nH]c(-c3cccc4ccc(Nc5c(F)cccc5Cl)nc34)cc12,0,0,0,0
CCCC(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)C2CCCCC21,0,0,0,0
C=CCNC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O,0,0,0,0
O=C(O)c1ccc(CC[C@H]2C(=O)CC[C@@H]2/C=C/C(O)Cc2cccc(F)c2F)cc1,0,0,0,0
O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2ccc(Br)cc2)o1,1,0,0,0
CCc1ccc(CNC(=O)c2c3c(nc4ccccc24)C(=O)N(C2CCCCC2)C3)cc1,1,0,0,0
CCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2cccnc2)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
CN(Cc1nnc(-c2ccc3ccccc3c2)o1)c1nnc(C(F)(F)F)s1,0,0,0,0
C[C@H](O)CN1CCC(c2ccc(Nc3ncc4ccc(-c5cccc(S(=O)(=O)NC(C)(C)C)c5)n4n3)cc2)CC1,0,0,0,0
CN(C)c1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1cc2n(n1)C(c1ccccc1)Nc1ccccc1-2,0,0,0,0
COc1cc2[nH]c(CN(CCC(C)C)Cc3nc(=O)c4cc(OC)c(OC)cc4[nH]3)nc(=O)c2cc1OC,1,0,0,0
O=C(CSc1ncc2c(n1)-c1ccccc1N(Cc1ccc(F)cc1)S2(=O)=O)c1ccc(Br)cc1,1,0,0,0
NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCOCC4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
CCCCCC(c1ccc(Cl)cc1)C1CCCCN1,0,0,0,0
Clc1ccc(Cc2noc(CN3CCN(c4ccccc4)CC3)n2)c(Cl)c1,0,0,0,0
c1cc2c3c(cccc3c1)C(N1CCN(C3=Nc4cccc5cccc3c45)CC1)=N2,0,0,0,0
COc1cccc(-c2nc(SC)c3ccccc3n2)c1,0,0,0,0
COc1cccc(C(=O)C2CCCN(C(=O)c3ccc(C#CC(C)(C)O)cc3)C2)c1,1,0,0,0
CC(C)N(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
CCCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0,0,0
COc1ccc(C=CC(=O)N(C)C2CCCCC2)cc1Br,1,0,0,0
CC(C)NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1,0,0,0,0
Cc1cc(N2CCCC2)ccc1C=C(C#N)C#N,0,0,0,0
CN(C)[C@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1,0,0,0,0
CN[C@@H]1CCN(c2cc(N)nc(NC3CCCC3)n2)C1,0,0,0,0
CN(C#N)N(C)C(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0,0,1,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCCC(=O)NO)CC4)ccc3OCC)nc12,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCSCC1,0,0,0,0
NS(=O)(=O)OC[C@H]1C[C@@H](Nc2nc(N[C@H]3CCc4ccccc43)ncc2F)[C@H](O)[C@@H]1O,0,0,0,0
CCc1ccc(CNc2ncc(-c3cccc(OC)c3)n2C)cc1,0,0,0,0
COc1ccc(CNC(=O)COc2cc3c(c4oc(=O)cc(C)c24)CCC(C)(C)O3)cc1OC,1,0,0,0
O=C(OCc1ccco1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,0,0,0,0
CCOC(=O)c1c(NC(=O)CSc2nnc(CN3CCOCC3)n2C)sc2c1CCCC2,1,0,0,0
COC(=N)c1nc2ccc3ncnc(Nc4ccc(N5CCCC5)cc4)c3c2s1,0,0,0,0
CCS(=O)(=O)N1CCN=C1SCc1ccc(F)cc1,0,0,0,0
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(Cl)c2)CC1,1,0,0,0
CN(C)CCOc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc2c1,0,0,0,1
COc1cccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)c1,0,0,0,0
CSCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(=O)O)CSSC[C@@H]2NC(=O)[C@@H]3CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)N[C@H](C(=O)N[C@@H](Cc4ccccc4)C(N)=O)C(C)C)NC(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc4cnc[nH]4)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC1=O)C(=O)N[C@@H](Cc1ccccn1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC2=O,0,0,0,0
COc1ccc2ncc(S(=O)(=O)c3ccc(F)cc3)c(O)c2c1,0,0,0,0
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)Nc3ccc(OC)cc3OC)c2)on1,1,0,0,0
CC(=O)Nc1nc(C)c(C(C)=O)s1,0,0,0,0
CO/N=C1\CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1CN,0,0,0,0
CCN(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)=O,0,0,0,0
COc1ccc(S(=O)(=O)N2C/C(=N\OC(C)(C)C)C[C@@H]2C(=O)NO)cc1,0,0,0,1
COC(=O)C1=C(COc2ccc(F)cc2)NC(=O)NC1c1ccc(C)cc1C,0,0,0,0
Cc1ccc(CN(Cc2ccco2)C(=O)c2ccco2)cc1,0,0,0,0
Cn1cccc1C(C#N)c1ncc(C(F)(F)F)cc1Cl,0,0,0,0
CC(=NCCc1ccccc1)C1C(=O)OC(c2ccccc2)C1=O,0,0,0,0
COc1cccc2c(=O)c3ccccc3n(CCCCOc3ccccc3)c12,0,0,0,0
Cc1ccc(C(=O)N2CCCCC2C(=O)O)o1,0,0,0,0
CN1C(=O)CN=C(c2ccc[nH]2)c2cc(Cl)ccc21,0,0,0,0
CC(C)CN1CCN(c2nc(-c3ccnc(NC4CCCCC4)c3)cc3cnccc23)CC1,0,0,0,0
O=C1NC(=O)/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)N1,0,0,0,0
CC1(c2ccc(N)cc2)CC(=O)NC1=O,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(C(O)c4cc5c(cc4Cl)OCO5)cc3)[nH]c2c1,0,0,0,0
CCOC(=O)C1=C(C)NC(=Cc2cccc(OC)c2)C1=O,0,0,0,0
CC1(C)NC(=O)N(CCCOc2ccc3c(c2)CCC3)C1=O,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCO)cc2Cl)cc1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(C)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
CC(C)Oc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C,0,0,0,0
COc1cc2c(cc1OCc1cccnc1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,0,0,0,0
CCOc1ccc(Nc2nc(N)c3ccccc3n2)cc1,0,1,0,0
CN1CCN(Cc2ccc(N)cc2)CC1,0,0,0,0
O=C(COc1ccc(Br)cc1Cl)NC1CCCCC1,0,1,0,0
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3cc(F)ccc3n2)cc1,0,0,1,0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCCCCCCCCC(=O)O)n1,0,0,0,0
FC(F)(F)c1cc(COCC2(c3ccccc3)CCC(N3CCCC3)C2)cc(C(F)(F)F)c1,0,0,0,0
CCOC(=O)C(=O)C(=CN(C)C)c1onc(-c2ccccc2Cl)c1C(=O)OC,0,0,0,0
N=C(N)SC1c2ccccc2-c2cc([N+](=O)[O-])ccc21,0,0,0,0
COc1cccc(C(=O)N(c2cc(C)cc(C)c2)C2CCN(C(=O)OC(C)(C)C)CC2)c1,1,0,0,0
Cn1c(NCCc2ccccc2)cc(=O)n(C)c1=O,0,0,0,0
C=CCN1c2ccccc2C(O)=CS1(=O)=O,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(Cc2ccc(Cl)cc2)C1,0,0,0,0
COCCNc1nc(-c2ccccc2CN(C)C)nc2ccccc12,0,0,0,0
CN1C[C@@H]2CN(C(=O)c3nc4c(F)c(F)ccc4[nH]3)C[C@@H]2C1,0,0,0,0
CC(C)N(C(=O)CSc1nnnn1-c1ccc2c(c1)OCO2)C(C)C,0,0,0,0
COC(=O)c1ccc(NCc2ccccc2)cc1,0,0,0,0
O=c1c2ccccc2nc2sc3ccccc3n12,0,1,0,0
C=CCNC(=S)Nc1ccccc1-c1nnc2n1CCCCC2,0,0,0,0
CCN(CCNc1ccc([N+](=O)[O-])c2cccnc12)S(=O)(=O)c1ccc(Cl)cc1,1,0,0,0
C=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(S(C)(=O)=O)C(C)C5)cc4)nc32)c1,0,0,0,0
CCOc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1,0,0,0,0
Cc1[nH]c2ncnc(Nc3cccc(F)c3)c2c1C,0,0,0,0
CCN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)c2cc(Cl)nc3ccccc23)CC1,1,0,0,0
CC1CCCN(C(=O)COc2ccc(NC(=O)c3cccs3)cc2)C1,0,1,0,0
CNS(=O)(=O)c1ccc(N2C(C)CCC2C)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
Cc1ccc2oc(C(=O)N3CCN(C)CC3C(C)C)c(C)c2c1,0,0,0,0
Cc1csc(CNc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c1,0,0,0,0
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(C[C@H](O)CO)c5)cnc(N)c34)cc2)cc1,0,0,0,1
NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
CCCC(C)NC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O,0,0,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cccc(Cl)c3c2=O)cc1,0,0,0,0
COc1ccc(CCNC(=O)c2nnn(-c3ccc4c(c3)OCCO4)c2N)cc1OC,0,1,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCNS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC(C)CC(=O)NC(N=C(S)Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl,1,0,0,0
Cc1cccc(C(=O)N/N=C/c2ccccn2)c1,0,1,0,0
CC[C@@H](Cn1c(=O)c(-c2cccc(OC)c2F)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)NC1CCCC1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCOCC1,1,0,0,0
CC1=N/C(=C\c2cccc3ccccc23)C(=O)N1CC(=O)O,0,0,0,0
O=C1CSC(=S)N1N=Cc1ccc(Cl)c([N+](=O)[O-])c1,0,0,0,0
COCc1c(-c2cc3cc(OC)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1,0,0,0,0
COC1(c2cc(F)cc(OCc3ncc4ccccc4n3)c2)CCOCC1,0,0,0,0
O=C(c1ccco1)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1,1,0,0,0
C[C@@H]1CC(=O)c2c(N3CCN(C)CC3)cccc2N1S(=O)(=O)c1ccc2ccccc2c1,0,0,0,0
COc1ccc2c(c1)C1C(CO2)C(c2ccccc2)C2(C)C(=O)Nc3cc(OC)c(OC)cc3C(=O)N12,1,0,0,0
CCn1cc(-c2nc3cnc(N4CCN(C)CC4)cc3n2Cc2ccccc2)cc(C)c1=O,0,0,0,0
COc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1Cl,0,0,0,0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccc2ccccc2c1)NO,0,0,0,1
CN1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1,0,0,0,0
O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)C(c2ccncc2)N1,0,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(CCCC(=O)O)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
S=C(NCCc1c[nH]c2ccccc12)NC1CCCC1,0,0,0,0
NCC(=O)N1CCN(c2nc(N3CCOCC3)nc(-n3c(C(F)F)nc4ccccc43)n2)CC1,0,0,0,0
COc1ccccc1Nc1nc(NCCO)c2ccccc2n1.Cl,0,0,0,0
CC12CC[C@H]3[C@@H](CCC4(O)C[C@H](O)CCC34/C=N/NC(=O)c3ccc(O)cc3)C1(O)CCC2C1=CC(=O)OC1,0,1,0,0
CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1OC,0,0,0,0
COc1ccc(NC2=Nc3cccc4cccc2c34)cc1,0,1,0,0
Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)c1c(F)cccc1F,0,0,0,0
O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc3c(c2)OCO3)on1,1,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3ccc(SC(F)F)cc3)c2)cc1,1,0,0,0
COc1cc2cc(-c3ccc(OC)c([N+](=O)[O-])c3)cnc2cc1OC,0,0,0,0
COc1ccccc1CN1CC2CC(c3ccc(Cl)cc3)N3CCCC23C1=O,1,0,0,0
CN1CCCCC1c1ccc(-c2cccnc2)nc1,0,0,0,0
O=C1CN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)c2ccccc2N1,0,0,0,0
N#C[C@@H]1C[C@H](NCC(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)c(Cl)c2)n1,0,0,0,0
Cc1cc(C)n2nc(CNS(=O)(=O)c3ccc(F)cc3)nc2n1,0,0,0,0
O=C(/C=C/c1ccc(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)cc1)NO,0,0,0,1
Cc1cccc(Nc2nc(NCCc3ccc(O)c(Cl)c3)ncc2C(N)=O)c1,0,0,0,0
C/C(=N\OCCO)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1,0,0,0,0
COc1cccc2c1CCN(C(C)=O)C2CC(c1ccccc1)c1ccccc1,0,0,0,0
CCN(CC)c1ccc(C(=O)Nn2cnc3ccccc3c2=O)cc1,0,0,0,0
COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4ccc5nsnc5c4)C3)nc2c1,0,0,0,0
O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCN(c2ccc(F)cc2)CC1,1,0,0,0
C[C@H](Nc1ncc(F)c(Nc2cc(C3CC3)[nH]n2)n1)c1ncc(F)cn1,0,0,0,0
CN(C)C(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)N1CCc2[nH]c3ccccc3c2C1,1,0,0,0
COC(=O)CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O,0,0,0,1
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)nc2c(=O)[nH]1,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(C#N)[nH]c1C,0,0,0,0
O=C(O)C1(c2ccc3c(c2)OC[C@H](Cc2cccs2)[C@H]3O)CCCC1,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(C)CC2,0,0,0,0
N[C@H]1CN(c2ccn3cnnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
Cc1cccc(-c2ccc(-c3ccc4c(c3)c(C)c(CC(C)(C)C(=O)O)n4Cc3ccc(Cl)cc3)cc2F)c1,0,0,0,0
COc1ccc(-c2ccc(C(=O)O)cc2C(F)(F)F)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
Nc1ncnc2c1sc1cc(-c3cccc(O)c3)ccc12,0,0,0,0
Cn1cc(-c2cc(OCCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CCOC(=O)C(CCc1ccccc1)NC1CCc2ccccc2N(CC(=O)O)C1=O,0,0,0,0
CCn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,1,0,0,0
COC(=O)Nc1nc(C)c(C(=O)N(C)C)s1,0,0,0,0
Fc1c(Cl)cccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(NCc4nc5ccccc5s4)nc23)[nH]1,0,0,0,0
CCCO[C@]1(c2cccc(OC)c2)CCCC[C@@H]1CN(C)C,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2NC(=O)CCl)cc1,0,0,0,0
CCOCCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)nc2s1,0,0,0,0
CCCC(=O)Nc1[nH]nc2ncc(-c3ccc4ccccc4c3)cc12,0,0,0,0
C=CCn1c(Oc2cc(C)ccc2C)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
CC(=O)Nc1cccc(NC(=O)c2ccc(C(=O)Nc3cccc(NC(C)=O)c3)nc2)c1,0,1,0,0
Cc1cccc(/C=N/NC(=O)c2cc(Br)ccc2O)n1,0,1,0,0
Cc1cc(C)cc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
Cc1cc(C#N)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21,0,0,0,0
COc1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1,1,0,0,0
Cc1cccc(OCCCCn2c(CO)nc3ccccc32)c1,1,0,0,0
O=C1N=C(NS(=O)(=O)Cc2ccccc2)SC1=C1C(=O)Nc2ccccc21,1,0,0,0
CC1c2nnc(-c3ccc(F)cc3)n2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,0,0,0,0
COc1ccc(-c2cnc(Nc3ccccc3C)c3[nH]nc(N)c23)cc1,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1,1,0,0,0
CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cccc(Cl)c1,0,0,0,0
O=c1cc(-c2ccc(F)cc2)nc(SCc2nc(-c3cccc(Cl)c3)no2)[nH]1,0,0,0,0
CCCc1nc(C)c2c([S+](C)[O-])nc3ccc(OC)nc3n12,0,0,0,0
COc1ccc2c(c1)CO[C@@H]1[C@H]2C2=C(OC1(C)C)C(=O)C1=C(OC(C)(C)[C@@H]3COc4cc(OC)ccc4[C@H]13)C2=O,0,0,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCN(CCOC)CC3)ncc1Cl,0,0,0,0
CCc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(O)c2c1,0,0,0,0
CSc1ccc(CNc2ccccc2)cc1,0,0,0,0
Cc1c(CNC2CCCCCC2)c(C(=O)O)c(C)n1Cc1ccc(F)cc1Cl,0,0,0,0
C=CC(=O)N(CC(=O)NC1CCCCC1)c1nc(-c2ccccc2)cs1,0,0,1,0
COc1cccc(C(=O)C2CCCN(C(=O)c3cccc(C#CC(C)(C)O)c3)C2)c1,1,0,0,0
COc1cc2c(cc1OC)C(C1CCCCC1)N(S(N)(=O)=O)CC2,0,0,0,0
COC(=O)Nc1nc2ccc(C3(O)c4ccccc4C(=O)N3c3cccc(-c4ccccc4)c3)cc2[nH]1,0,0,0,0
Cc1cc(SCC(=O)NC2(C#N)CCCCC2)nc2c(C)cccc12,1,0,0,0
Cc1cccc(NC(=O)Nc2ccc(C)c(C)c2)n1,1,1,0,0
N#Cc1ccc(Cn2c3cc(O)c(O)cc3c3c(Br)cc(O)c(O)c32)cc1,0,0,0,0
CC(=O)Nc1cccc(N2C(=O)CC(Cc3ccccc3)C2=O)c1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,0,0,0,0
O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCCC1,1,1,0,0
COCc1ccc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(-c3cnc([C@]4(O)CC[C@@H](C(=O)O)C(C)(C)C4)s3)c2)cc1,0,0,0,0
O=c1c(-c2ccccc2)nc2cncnc2n1-c1ccccc1,1,0,0,0
CCc1ccc(COc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)nc1,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(-c2ccc(OC)cc2)c1,1,0,0,0
O=S(=O)(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,0,0,0
CCN(CCCNC(=O)CCc1nc(-c2ccc(OC)cc2)no1)c1cccc(C)c1,1,0,0,0
CC1=C(N2CCC3(CC4CCC(CN(C[C@H](O)c5ccc6c(c5C)COC6=O)C4)C3)C2=O)COC1=O,0,0,0,0
CCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1,0,0,0,0
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2[C@H]1C(=O)O,0,0,0,0
Cc1occc1C(=O)Nc1sc2c(c1C(N)=O)CCCCC2,0,1,0,0
Nc1ncc(-c2ccc(C3(c4noc(-c5cnn(C6CCS(=O)(=O)C6)c5)n4)CCC3)cn2)cn1,0,0,0,0
CCOC(=O)c1cc(C)nn1-c1nc(Cl)cc(OC)n1,0,0,0,0
CC(C)C1=C2CCCCC2NC(=O)N1,0,0,0,0
O=C1N[C@H](Cc2c[nH]c3ccccc23)C(=O)NCC(=O)N2CCC[C@@H]2C(=O)N[C@H]1Cc1ccccc1,0,0,0,0
CCC(C(=O)OCC(=O)c1c(N)n(CC(C)C)c(=O)n(C)c1=O)c1ccccc1,1,0,0,0
CN[C@@H](C)C(=O)Nc1ccc2c(n1)OC(C)(C1CCCC1)C(=O)N2c1cccc(Cl)c1,0,0,0,0
CSc1nnc(NCc2ccc(Cl)cc2)[nH]1,0,0,0,0
C[C@]12C=CC(=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)CCCc1ccc(N(CCCl)CCCl)cc1,0,0,0,0
S=c1[nH]ncn1N=Cc1ccccn1,0,0,0,0
Cc1ccccc1Cn1ccn2c(=O)cc(N3CCOCC3)nc12,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C)cc3C)c(F)c2)CC1,0,0,0,0
CC(C)c1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,0,0,0
COc1ccc(-c2[nH]ncc2CN2CCN(Cc3cccs3)CC2)cc1F,0,0,0,0
C[C@@](O)(c1ccc(C(=O)N(C2CCC(CC#N)CC2)C2CC2)cc1)C(F)(F)F,0,0,0,0
Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3cccc(F)c3C4)nc12,0,0,0,0
COc1cc(-n2c(=O)c3ccccc3n(Cc3cccc(Cl)c3)c2=O)cc(OC)c1OC,0,0,0,0
CCC(C)(C)n1c(=O)[nH]c2c(c1=O)CCC2,0,0,0,0
COCc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
CC1=NCCN1S(=O)(=O)c1ccc(Br)c(C)c1,0,0,0,0
CC(C)[C@H](CO)Nc1nc(NCc2ccc3c(c2)OCO3)c2ncn(C(C)C)c2n1,0,0,0,0
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)CCN)c2c1C,0,0,0,0
N#Cc1nc(CCCNC2(C(N)=O)CCC2)cc(-c2cccc(C(F)(F)F)c2)n1,0,0,0,0
COc1cncc(-c2cccc(C3(C4CC4)N=C(N)N(C)C3=O)c2)c1,0,0,0,0
COc1ccc(C)cc1N(C(=O)c1ccc(C#N)cc1)C1=NC(C)(C)CS1,0,0,0,0
O=C(Nc1ccccn1)C(NS(=O)(=O)c1cccc2nsnc12)c1ccccc1,1,0,0,0
COCC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1,0,0,1,0
c1ccc(-n2cc(CN3CCC(N4CCOCC4)CC3)c(-c3ccc4c(c3)OCO4)n2)cc1,0,0,0,0
Cc1ccc(NC(=S)N/N=C/c2ccc(OCCC(C)C)cc2)c(C)c1,0,0,0,0
O=C(NCC1CCCO1)c1ccc2[nH]c3c(c2c1)CCCC3,0,1,0,0
C[C@H](Nc1cc(NC2CCC(c3ccccc3)CC2)ncn1)c1ccc(Cl)cc1,0,0,0,0
C#CC12C=C(C#N)C(=O)C=C1c1c(C)cccc1CC2,0,0,1,0
Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1,1,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(C(F)F)n2C2CC3C2)C1=O,0,0,0,0
Nc1cc(Cl)ccc1N1CCCC1,0,0,0,0
COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(OC(F)(F)F)c2)nc(C2CC2)n1,0,0,0,0
Fc1cc2nc(-c3ccncc3)[nH]c2cc1F,0,0,0,0
CCCOc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
CCCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1,1,0,0,0
CCc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,0,0,0,0
N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccccc2)CC1,0,0,0,0
COC(=O)C1(Cc2ccccc2)CCc2cnc3c(-c4ccc(C#N)cc4)cnn3c21,0,0,0,0
CC(=O)c1ccc2noc(-c3cccc(C)c3)c2c1,0,0,0,0
Fc1ccc(C(OCCN2CCN(CCCc3cccs3)CC2)c2ccc(F)cc2)cc1,0,0,0,0
CCOc1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1,0,0,0,0
CC(C)CC(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)C2CCCCC21,0,0,0,0
O=C(O)CCCCCNC(=O)OCC1c2ccccc2-c2ccccc21,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](F)(CO)CO3)C1=O,0,0,0,0
CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCC2)CC1,0,0,0,0
CC1=C(C(=O)OCC2CCCO2)C(c2cccc(C(F)(F)F)c2)C2=C(CC(c3ccco3)CC2=O)N1,0,0,0,0
CCN(C(C)=O)C1CCN(CC[C@@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
NS(=O)(=O)c1ccc(NN=C2CCCCC2C2CCCCC2)c([N+](=O)[O-])c1,0,0,0,0
O=C(CSC1=Nc2ccccc2C2=NC(Cc3ccccc3)C(=O)N12)Nc1ccccc1F,1,0,0,0
CC1CCN(Cc2c(O)ccc3c2OC(=Cc2ccco2)C3=O)CC1,0,0,0,0
O=C(O)CCc1ccc2c(c1)CC(CNS(=O)(=O)c1ccc(Cl)cc1)C2,0,0,0,0
N#CCCn1cc(C(=O)Nc2ccccc2Br)c(-c2cc3ccccc3o2)n1,1,0,0,0
COc1cc(C(=O)OCC(=O)NCc2ccc(F)cc2)cc(NC(=O)c2cccs2)c1OC,1,0,0,0
O=C(c1cccs1)N(c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1,0,0,0,0
N#Cc1c[nH]n2c(NC3CCCC3)c(-c3ccc(Cl)cc3)nc12,1,0,0,0
O=C(O)Cc1cnc(C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)cc2)c2ccccc12,0,0,0,0
OCCC1CN(Cc2ccc(C(F)(F)F)cc2)CCN1Cc1ccccc1,1,0,0,0
O=C(O)CCCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1,0,0,0,0
COc1cc(C(=O)N2CCN(C(=O)c3ccccc3)CC2)cc(OC)c1OC,0,0,0,0
CC(C)CC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1,0,0,0,0
COc1ccc(COn2nnc3ccc(S(=O)(=O)N4CCOCC4)cc32)cc1F,0,0,0,0
CC1(C)CC(=O)C=C(NC2CCCCC2)C1,0,0,0,0
C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccccc2)c2ccncc12,0,0,0,0
O=C1CC[C@@H]2COc3ccc(Cc4n[nH]c(=O)c5c4CCCC5)cc3N12,0,0,0,0
NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0,0,0,1
CNC(=O)CNC(=O)Nc1nc2ccc(-c3cncc(S(=O)(=O)NC(C)(C)C)c3)cn2n1,0,0,0,0
CC(C)C(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,0,0,0,0
Cc1nc2ccc(C)c(Sc3ccc(C(=O)O)cc3)c2c(=O)[nH]1,0,0,0,0
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccccc3Br)cc2N)cc1,1,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1,0,0,0,0
COc1ccc(NC(C)c2ccccc2)cc1,0,0,0,0
CN1N=C(C(F)(F)F)CC1=O,0,0,0,0
CN(C)CCC(c1ccc(Cl)c(Cl)c1)N1CCNCC1,0,0,0,0
CC1=C2C(=O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]2CC[C@]12O[C@@H]1C[C@H](C)CN[C@H]1[C@H]2C,0,0,0,0
CC(=O)Nc1ccc(N/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1,0,0,0,0
C=CCNC(=S)N/N=C/c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1,1,0,0,0
CC1=C(C(=O)OCC(Br)(Br)Br)C(c2ccc(Br)cc2)NC(=O)N1CCCC(=O)O,0,0,0,0
O=c1c2ccccc2cnn1-c1ccc(Cl)nn1,0,0,0,0
COC(=O)c1c(N)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2,1,0,0,0
COCCNC(=O)CSc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1,0,0,0,0
CN1CCC(Oc2cccc3ncnc(Nc4c(Cl)ccc5c4OCO5)c23)CC1,0,0,0,0
CC1OP(=O)(Oc2ccccc2)C(O)C(O)C1N=[N+]=[N-],0,0,0,0
CCC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1,0,0,0,0
CSc1ccc(-c2nc(CSCC(=O)N3CCOCC3)c(C)o2)cc1,1,0,0,0
CCOc1cc(C(c2c(O)nc(SC)[nH]c2=O)c2c(O)nc(SC)[nH]c2=O)ccc1O,0,0,0,1
Cc1cc(C)cc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)c1,1,0,0,0
C=CCn1c(O)cc(=O)nc1SCc1ccccc1,0,0,0,0
N=C(N)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)s2)cc1,0,0,0,0
Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,1,0,0,0
COc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(N2CCCCC2)c1,0,0,0,0
CCCCCCC=Cc1ccc(OC)c(C2C3C=CCC(C)C3C(=O)N2Cc2ccccc2)c1,0,0,0,0
Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CC3)n2)cc1C(F)F,0,0,0,0
COc1cc2c(cc1F)ncc1c(N)nc3c(C)c(N)ccc3c12,0,0,0,0
CN(Cc1ccccc1)c1cnn(-c2ccc(F)cc2)c(=O)c1Br,0,1,0,0
CCC(C)NC(=O)C1c2cc(OC)c(OC)cc2C(=O)N(C)C1c1ccc(OC)cc1,0,0,0,0
Cc1nonc1-c1nc(-c2nonc2N)n[nH]1,0,0,0,0
COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1OC,0,0,0,0
CN(C)c1ccc(-c2nc(NC3CCNCC3)c3ccccc3n2)cc1,0,0,0,0
CC1(C#N)CN(c2cc(COc3ccc(F)c(F)c3F)nc(-c3ccccn3)n2)C1,0,0,0,0
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CCN4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccccc1,0,0,0,0
CN1C(=O)C[C@H](c2ccccc2)[C@@H]1[C@H](O)c1ccc(C(=O)c2ccccc2)s1,0,0,0,0
OC(COCc1ccccc1)CN1CCc2ccccc2C1,0,0,0,0
COc1cccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)c1,0,0,0,0
CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,0,0,0,1
CCOc1cc(C(=O)OCC(=O)c2cc(C)n(CC3CCCO3)c2C)ccc1OCC(=O)N1CCOCC1,1,0,0,0
N#Cc1c(Cl)c(Cl)c2nnc(-c3ccc(Br)cc3)n2c1Cl,0,0,0,0
O=C1N=C(N2CCCC2)SC1=Cc1c[nH]nc1-c1ccccc1,0,0,0,0
Cc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1C,0,0,0,0
COC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,1,0,0,0
Cc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1,0,0,0,0
CCCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC,0,0,0,0
N#Cc1cc(OCCN2CC(c3ccccc3)CC2=O)ccc1F,0,0,0,0
CC(C)(C)OC(=O)NCCCCCNC(=O)c1nc[nH]c1C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1,1,0,0,0
CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C)c2n1,0,0,0,0
CCCCN(CCCC)CCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0,0,0
CCCCC1(N(C)C)CCC(c2ccccc2)(N(C)C)CC1,0,0,0,0
CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)C)cc1,0,0,0,0
CCOC(=O)C1CCCN(C(=O)CCc2nnc(-c3ccc(C(C)=O)s3)o2)C1,0,1,0,0
CCc1ccc(Cc2nn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccccc23)cc1,0,0,0,0
OCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)CC4CCCCC4)c3)cc12,0,0,0,0
O=C1OCCC1Sc1nnc(-c2cccs2)n1Cc1ccccc1,0,0,0,0
CCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)cc3)OC2=O)C(O)(C(C)=O)C(O)C1=O,0,0,0,0
C[C@H](N)C(=O)NC[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1)C2,0,0,0,0
O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc[nH]1,0,1,0,0
CCCNC(=O)c1ccccc1NC(=O)C1COc2ccccc2O1,1,0,0,0
CC(C)Oc1cc2c(-c3cc(N4CCNC(=O)C4)ncn3)n[nH]c2cc1F,0,0,0,0
CC(C)=C/C=C1\Oc2ccc(F)cc2-c2ccc3c(c21)C(C)=CC(C)(C)N3,0,0,0,1
COCCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1,1,0,0,0
Cc1[nH]nc(N)c1-c1nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2s1,0,0,0,0
CCCCN(Cc1cc(Cl)c(OC)c(Cl)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1C(C(=O)OC)CC2,1,0,0,0
O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N2CCCCC2)cc1,1,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCCN(C)C)c3nc4ccc(OC)cc4s3)cc2)CC1,1,0,0,0
CN1CCN(C(=O)c2ccc(/C=C3\Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1,0,0,0,0
N#CC1=C2Sc3ccccc3N2C(=N)C(C#N)C1c1ccccc1,1,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@H]3C(=O)NCC(=O)O)nc2-c2ccc(C)cc2)c1,0,0,0,0
O=C(NN1CCOCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12,1,0,0,0
N#Cc1ccc(C(=O)N2CCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)cc1,0,0,0,0
CCOC(=O)C[n+]1ccc2ccccc2c1Cc1ccc(Cl)cc1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc(C)cc5)nc(-c5ccc6[nH]c(C)c(C)c6c5)c4)CC3)CC2)CC1,0,0,0,0
CCNS(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0,0,0,0
C[C@@H](Nc1ncc(C(N)=O)c2[nH]c3cc(-c4cnn(C)c4)ccc3c12)C1CC1,0,0,0,0
O=C1c2ccccc2C(=O)N1CCCN1C2CCC1c1c([nH]c3ccc(F)cc13)C2,0,0,0,0
CCN(CC)c1ccc(-c2nnc(SCC(=O)N(CCOC)c3c(N)n(CC(C)C)c(=O)[nH]c3=O)o2)cc1,1,1,0,0
COc1cc2ncc3[nH]nc(-c4ccc(C#N)cc4)c3c2cc1OC,0,0,0,0
COc1cccc(CNS(=O)(=O)c2cnc(N)nc2)c1,0,0,0,0
CCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,0,0,0,0
COCCN(C)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1,0,0,0,0
CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(C(=O)c2cc(C)on2)C1,0,1,0,0
CCCCCCCCOc1ccc(-c2cc([C@@](C)(N)COP(=O)(O)O)on2)cc1C(F)(F)F,0,0,0,0
O=C1OCc2c1cc1cc(OCc3cccc(C4(O)CC5C=CC(C4)O5)c3)ccc1c2-c1ccccc1,0,0,0,0
CS(=O)(=O)c1ccc2nc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(F)c(F)c4)c3)sc2c1,0,1,0,0
Cc1c(-c2ccnc(N)n2)sc2ccc(Cc3cccc(O)c3)cc12,0,0,0,0
CN1C(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C(=O)C1(C)C,0,0,0,0
CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(F)cc23)C1,0,0,0,0
Cc1c(C2(N3CCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccc(F)cc12,0,0,0,0
O=C(c1c(F)cccc1F)N1CCC(O)(c2cccnc2)CC1,0,0,0,0
CC(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1,1,0,0,0
Cc1nn(C)cc1C(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
COCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc(C)c2)C1=O,1,0,0,0
CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)CCCCN=C(N)N)C(=O)N[C@@H]1CCCC[C@H]1c1cccc(Cl)c1,0,0,0,0
O=C(CSc1ccccn1)Nc1ccc2ccccc2c1,0,1,0,0
Oc1cc(Nc2ccnc3cc(-c4cc5ccccc5o4)ccc23)ccc1Br,0,0,0,0
O=C(OCC(O)COc1ccccc1)c1ccc([N+](=O)[O-])cc1,0,0,0,0
Cc1ccc(S(=O)(=O)N(C(=O)c2ccco2)c2cc3sc(=O)oc3c3ccccc23)cc1,1,0,0,0
COc1cccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)c1,0,0,0,0
Clc1ccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)cc1,0,0,0,0
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(c1ncccn1)C2,1,0,0,0
Cc1ccc(C2=C[N+](=O)C3CCCCC3N2O)cc1,0,0,0,0
CC1(C)CCCC(C)(C2CCC3(C)C2C(O)CC2C4(C)CCC(O)C(C)(C)C4C(O)CC23C)O1,1,0,0,0
CCC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,1,0,0,0
CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)C(CC)(C(=O)OC)c1ccccc1,0,0,0,0
CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc2c(c1)OCCO2,1,0,0,0
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C#N)n(C3CCOCC3)c2n1,0,0,0,0
COCc1nc(N)c2nnn(C[C@H]3CCCO3)c2n1,0,0,0,0
Nc1cc(-c2cc(Cl)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1,0,0,0,0
CCOC(=O)C1C(=O)OC(C)(C)C1C(C)C(=O)c1ccc(C)cc1,0,0,0,0
c1cnc2c(c1)CCC[C@@H]2N(CCCN1CCNCC1)Cc1nccc2c3ccccc3n(CCN3CCOCC3)c12,0,0,0,0
O=C(c1ccc(Nc2ccccc2)c(Cl)c1)N1CCC(N2CCCCC2)CC1,0,0,0,0
CCNC(=O)c1c(O)c(Cc2ccc(OC)cc2)cc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O,0,0,0,0
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(C)(=O)=O)c2)ccc1Cl,0,0,0,0
CCOC(=O)Cc1csc(/N=C/c2c(O)n(-c3ccc(C)cc3C)c(=O)c3ccccc23)n1,0,0,0,0
CSCCC(NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(CCSC)C(=O)O)ccc1-2)C(=O)O,0,0,0,0
CC(=O)NC(c1ccco1)c1cc(Cl)c2ccccc2c1O,0,0,0,0
C[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N([C@@H](CNS(C)(=O)=O)C2CC2)C1=O,0,0,0,0
Cl.Oc1ccc(C2NCc3ccccc3-n3cccc32)cc1Cl,0,0,0,0
CCCN(CC)c1ncc(-c2ccccc2C)c(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)n1,0,0,0,0
CCC1(c2ccc(N)cc2)CC(=O)NC1=O,0,0,0,0
O=C1N=C(N2CCCC2)S/C1=C\c1c[nH]nc1-c1ccccc1,0,0,0,0
Cc1nc(-c2ccccc2)c(Cc2ccccc2O)c(=O)[nH]1,0,0,0,0
Cc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2)C1,0,0,0,0
c1ccc(-c2nnc3c4ccccc4c(OCc4ccco4)nn23)cc1,0,0,0,1
O=C(N/N=C1\CCc2ccccc21)c1ccc(O)cc1,0,1,0,0
COc1cc2cc(-c3ccc(O)cc3)cnc2cc1OC,0,0,0,0
CCC(=NCCO)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0,0,0
C=CCNC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCCC1,1,0,0,0
O=C(SCc1ccco1)c1cc2ccccc2oc1=O,0,0,0,0
Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1,0,0,0,0
O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(C(C)(C)C)ccn2)CC1,0,0,0,0
COc1ccc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc1OC,0,0,0,0
CCC(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)CS2,0,0,0,0
CCOc1ccccc1N1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,0,0,0,0
CCCN1C(=O)C(O)(C/C(C)=N/O)c2ccccc21,0,0,0,0
COc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(c2Cl)SCCC3)cc1,0,0,0,0
COc1ccc(S(=O)(=O)Oc2cccc(C(=S)N3CCOCC3)c2)cc1,0,0,0,0
CC(=O)c1c(O)cc(C)n(Cc2ccccc2)c1=O,0,0,0,0
CC(=O)OC1CC(OC(C)=O)C2(C)C(CC(=O)C3(C)C2CCC2(C)C(c4ccoc4)OC(=O)C4OC423)C1(C)C,1,0,0,0
Cc1ccc(C)c(NC(=O)CSc2ncc(S(=O)(=O)c3ccc(C)c(Cl)c3)c(=O)[nH]2)c1,0,1,0,0
O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(C(F)(F)F)c1)O3,0,0,0,0
CC(C)CN(Cc1ccc(N[C@H]2CC[C@@H](CC#N)C2)cc1)S(=O)(=O)Cc1ccccc1,0,0,0,0
CN(c1cccc(CO)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,0,0,0,0
COc1ccccc1NC(=S)NN=Cc1ccc(O)cc1,0,0,0,0
O=c1oc2ccccc2cc1-c1csc(Nc2nc3ccc(F)cc3s2)n1,0,0,0,0
O=C(O)c1c2c(nc3ccc(F)cc13)-c1sc(-c3ccccc3)cc1CC2,0,0,0,0
Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(Nc3cccc4ccn(C)c34)CC2)CC1,0,0,0,0
COc1ccc(N(Cc2cccs2)C(=O)c2ccccc2C)cc1,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)SC3CCC3)CC2)c1F,0,0,0,0
COc1nn2cc(-c3nc4cc(F)ccc4o3)nc2s1,0,0,0,0
Cc1ccccc1OCC(=O)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1,0,1,0,0
Nc1ncnc2c1sc1cc(-c3ccc(NC=O)cc3)ccc12,0,0,0,0
CCC1CCCCN1C(=O)CCc1nnc(C2CCCCC2)o1,1,0,0,0
Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)c2cc[n+](O)cc2)cc1,1,0,0,0
COc1ccc2[nH]c(=O)c(CN(C(C)=O)C3CCCCC3)cc2c1,0,0,0,0
CCOC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CC1=C(C(=O)Nc2ccccc2C)C(c2ccc(C)o2)C2=C(CCCC2=O)N1,0,0,0,0
FC(F)(F)c1ccncc1CNc1ccc(Cc2c[nH]c3ncc(Cl)cc23)cn1,0,0,0,0
COC(=O)C1(C(=O)OC)NOC2C(=O)N(c3ccccc3)C(=O)C21,1,0,0,0
CCc1ccccc1NC(=O)CSCc1cnn(-c2ccccc2)c1-n1cccc1,1,0,0,0
C=CC(=O)Nc1cc(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)ccc1Cl,0,0,0,0
CC(C)CCNC(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1,0,0,0,0
CC(C)(C)NC(=O)[C@H]1CC[C@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@@H](C#N)C1,0,0,0,0
CCOc1ccccc1CNc1nc2[nH]c(C)c(CC(=O)OC)c(=O)n2n1,0,0,0,0
CC(C(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1)n1cc([N+](=O)[O-])cn1,1,0,0,0
O=S(=O)(c1cccc2cccc(Cl)c12)N1CCCC1,0,0,0,0
COCCn1c(SCc2nc(=O)c3c(-c4ccc(Cl)cc4)csc3[nH]2)nnc1-c1cccc(C)c1,1,0,0,0
CC(C)CCNC(=O)C1(c2cccs2)CCOCC1,0,0,0,0
COC(=N)c1nc2ccc3ncnc(Nc4cc(Br)c5c(c4)OCO5)c3c2s1,0,0,0,0
CCc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)c(OC)c1,0,0,0,0
CC1(COC(=O)[C@@]2(C)CCC[C@]3(C)c4cc(O)ccc4CC[C@@H]23)CCC[C@]2(C)c3cc(O)ccc3CC[C@@H]12,0,0,0,0
Cc1cccc(NC(=O)CN2C(=O)SC(=CC(=O)Nc3ccc(Cl)cc3)C2=O)c1,1,0,0,0
O=c1cc(-c2ccccc2)[nH]c(C=Cc2ccccc2)n1,0,0,0,0
O=c1nc(CSc2nc3ccccc3s2)[nH]c2cc(C(F)(F)F)ccc12,0,0,0,0
COC(=O)c1nnn(-c2nonc2N)c1CN1CCCC1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](NS(C)(=O)=O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
CN1C2=NCCN2C(=O)c2ccccc21,0,0,0,0
CN(CC(CC(=O)Nc1nncs1)c1ccccc1)S(=O)(=O)c1ccccc1,1,0,0,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,0,0,0,0
C/C(=C\C(=O)O)C(=O)Nc1nccs1,0,0,0,0
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccc(F)cc1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2Cl)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
C=CCNC(=O)c1scc2c1CCCC2,0,0,0,0
CCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1,0,0,0,0
CC(=O)N1N=C(c2ccc3ccccc3c2)OC1(C)C,0,0,0,0
[N-]=[N+]=NCC(c1ccccc1)N1CCN(Cc2ccccc2)CCC1=O,1,0,0,0
CC(Cc1ccc(Cc2cccnc2)cc1)C(=O)O,0,0,0,0
CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C(C)C)c3n2)s1,1,0,0,0
CCCCCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O,0,0,0,1
COC(=O)c1ccc(N=NN2CCCCCC2)cc1,0,1,0,0
C#CCCn1c(NN(C)c2ccc(C(F)(F)F)cc2)nc2c(c1=O)CN(C(=O)c1ccc(C)cc1)CC2,0,0,0,0
c1ccc(COc2ccc3c(c2)CCN(C2CC2)CC3)cc1,0,0,0,0
CCC1C2=C3C(CCC4C(OCc5ccc(F)cc5C(F)(F)F)OCC(C)(C34)N(C(=O)OC(C)(C)C)C2)C(COC)C1COC,0,0,0,0
CC(=O)N1CCCc2cc(S(=O)(=O)N(CCN(C)C)Cc3ccccc3)ccc21,0,0,0,0
CNc1nc(Nc2ccc3nc(C)cc(NC)c3c2)nc(Nc2ccc3nc(C)cc(NC)c3c2)n1,0,0,0,0
C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C,0,0,0,0
Cc1nc2ncc(Oc3ccc(F)cc3)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,0,0,0,0
Cc1noc(C)c1C(=O)N1CCC2(CC1)CN(c1ccccc1)C2,1,0,0,0
O=C(Nc1nc(-c2ccccc2)cs1)C1CCCO1,0,1,0,0
Cc1c(-c2cn(CCCC(F)(F)F)c(=O)c3c2CCCC3)c2cc(F)ccc2n1CC(=O)O,0,0,0,0
CCn1c(-c2cccnc2N)nc2cnccc21,0,0,0,0
CN1CCN(Cc2cc3n[nH]c(=O)n3c3cc(-c4ccc[nH]4)ccc23)CC1,0,0,0,0
FC(F)(F)c1cc(-c2ccccc2)nc(NCC2CCCO2)n1,0,0,0,0
COc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1,0,0,0,0
c1cc2[nH]cc(-c3cncc(C4CC4)n3)c2cc1-c1nnc(C2CC2)o1,0,0,0,0
CC1=C(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)C2(CCCCC2)OC1=O,0,0,0,0
Nc1ncc(-c2cc(N3CCC4(CC3)COC4)nc(N3CCC3)n2)cc1OC(F)F,0,0,0,0
CCc1ccc2c(CN3CCOCC3)cc(=O)oc2c1,0,0,0,0
CCOc1ccc(NC(=O)CN2CCN(CC(=O)c3ccc(OCC)cc3)CC2)cc1,1,0,0,0
CCN1CCC(Oc2nc(N3CCC4(CC3)CN(C(=O)/C=C/CN3CCOCC3)C4)c3cc(Cl)c(-c4c(C)ccc5[nH]ncc45)c(F)c3n2)CC1,0,0,1,0
NC(=O)c1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
C=CCOc1ccc(C(=O)/C=C2/C(=O)Nc3ccccc32)cc1,0,1,0,0
CCCC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1,0,0,0,0
O=C(/C=C/Sc1ccc(C(F)(F)F)cn1)c1ccccc1,0,1,0,0
C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccc(F)cc3)c2)cc1,0,0,0,0
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc21,0,0,0,0
CSc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
CC(C)(C)NC(=O)N1CCn2cc(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
CCOC(=O)c1c(S(=O)(=O)N2CCCC(C(=O)Nc3ccc(C)cc3C)C2)c(C)n(CC)c1C,1,0,0,0
Cc1ccc(NC(=S)N/N=C/c2ccc(Cl)c([N+](=O)[O-])c2)cc1,0,0,0,0
CC(=O)c1ccc(OCc2cc(C(=O)N3CCN(c4ccccc4)CC3C)no2)cc1,0,1,0,0
Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3ccc(C#N)cc3)CC2)CC1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0,0,0
C=CCN1C(=O)CSc2ccc(C(=O)NCCC3=CCCCC3)cc21,0,0,0,0
CC(C)CC(=O)Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1,0,0,0,0
CCn1nc(C)c(C=NNC(=S)Nc2ccc(Cl)cc2Cl)c1C,0,0,0,0
O=C(Nc1nnc(CCS(=O)(=O)c2ccc(Br)cc2)s1)c1ccc([N+](=O)[O-])cc1,1,0,0,0
CCc1ccc(S(=O)(=O)N(C(=O)Oc2ccccc2)c2ccc3oc(C)c(C(=O)OC)c3c2)cc1,1,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCCC(N)C6)cc5c4)n3c2)cn1,0,0,0,0
CC(=O)C1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1,1,0,0,0
Cc1nc2c(nc1-c1cc3nc(N4CCCC4)cc(NC4CCC(C)(O)CC4)n3n1)CCCO2,0,0,0,0
C=CC(=O)N1CCC(Nc2ccc(C(N)=O)c3[nH]c(C)c(C)c23)CC1,0,0,1,0
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
CC1(C)N=c2ccc([N+](=O)[O-])c(N)c2=[N+]1O,0,0,0,0
[C-]#[N+]Cc1cccc(-c2cc3nc(N)nc(N)c3cc2C)c1,0,0,0,0
Cc1ccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)cc1,0,0,0,0
O=C(O)c1ccc(OCCc2c(CCNS(=O)(=O)CCN3CCNC3=S)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1,0,0,0,0
Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc(F)cc1Cl,1,0,0,0
CC(C)C[C@H](N[C@@H](c1ccc(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)cc1)C(F)(F)F)C(=O)NCC#N,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)NC1CCC(C)CC1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccc(O)c1,0,1,0,0
O=C(O)c1ccnc2c(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)cccc12,0,0,0,0
Cc1nc2nc(NCc3ccccc3Cl)[nH]n2c(=O)c1Cc1ccccc1,0,0,0,0
O=C1N(CCNCC2CC2)CN(c2ccccc2)C12CCN(Cc1c(Cl)cccc1Cl)CC2,0,0,0,0
O=C1C2CCCN2C(c2cccnc2)N1c1ccc(Cl)c(Cl)c1,0,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(C(F)(F)F)cc5)ccc4c3=O)cn2)C1,0,0,0,0
Cc1ccc(N2C(=O)C(Cl)=C(N3CCN(C)CC3)C2=O)c(C)c1,1,0,0,0
COc1ccc(Nc2nc(N)nc(CSc3nnnn3C)n2)cc1,0,1,0,0
CS(=O)(=O)c1cccc(-c2noc(-c3cnn(-c4ccccc4F)c3-c3ccncc3)n2)c1,0,0,0,0
CCOC(=O)C1=NNC2(c3ccc(C)cc3)C(=O)N(c3ccccc3)C(=O)C12,0,0,0,0
CN(C)CCCN1C(=O)C(O)=C(C(=O)c2cccs2)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
CN(C)CCOc1ccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)cc1,0,0,0,0
CCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O,0,0,0,0
CCCC[C@]1(CC)CS(=O)(=O)c2cc(CN3CCC[C@@H]3C(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCCC2C(=O)Nn2cnnc2)cc1,0,0,0,0
CCCCC(CC)Cn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,1,0,0,0
CC(C)(C)c1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
Cc1cc(C)c2ccc(=O)n(Cc3cccc(Cl)c3)c2n1,1,0,0,0
Cc1nc(N=C(N)N)nc2ccccc12,0,0,0,0
COc1ccc(C2=NN(CCCOc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)CC2C)c2cc(C(F)(F)F)nn12,0,0,0,0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)c(Br)c1,0,0,1,0
O=C(Oc1nsnc1N1CCCC1)N1CCOCC1,0,0,0,0
c1ccc(OC[C@@H]2CN(Cc3ccc4[nH]ccc4c3)CCO2)cc1,0,0,0,0
CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(F)c1,0,0,0,0
NNS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NN)ccc1-2,0,0,0,0
O=S(=O)(/N=C(/c1ccccc1Cl)N1CCOCC1)c1ccccc1,0,0,0,0
CO[C@H]1CC[C@@](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1,0,0,0,0
O=C(O)CCc1ccc(OCc2ccccc2-c2ccc(Cl)cc2)cc1,0,0,0,0
Cc1ccccc1-c1cccc(C2CC3CN(Cc4cccnc4)C(=O)C34CCCN24)c1,1,0,0,0
Cc1ccc2c(c1)N(C(=O)CCC(=O)NCC(C)c1ccccc1)CC(C)O2,1,0,0,0
O=C(c1ccc(Br)cc1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
Clc1ccc(OCCCc2nc(-c3ccncc3)no2)c(Cl)c1,0,0,0,0
COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC,0,0,0,0
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cnc3C(N)=O)cccc12,0,0,0,0
O=C(OCc1nnc(-c2ccccc2)o1)c1ccc(Cl)cc1,0,0,0,0
COc1cc2c(cc1O)CC1NCCc3cc4c(c-2c31)OCO4,0,0,0,0
CC(C)C(C)NC(=O)COC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCCC1,0,0,0,0
O=c1[nH]c2ccc(O)cc2c2c1CSCC2,0,0,0,0
CCCCN(C)C(=O)CCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
Oc1cncc(Cc2ccccc2)c1,0,0,0,0
COc1ccc(/C=N\NC(=O)C2COc3ccccc3O2)cc1O,0,1,0,0
Cc1ccc(NC(=O)CN2C(=O)/C(=C\c3cccs3)SC2=S)cc1,1,0,0,0
Cc1nc2c(Cl)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,0,0,0,0
Cc1cc(N2CCCC2=O)cc(C)c1CN1C(=O)c2ccccc2C1=O,0,0,0,0
O=C1CCCC/C1=C/Nc1ccc2c(c1)OCO2,0,1,0,0
O=c1ccc2c([C@@H](O)CNCCc3ccc(Nc4ccc(OCCN5CCOCC5)cc4)cc3)ccc(O)c2[nH]1,0,0,0,0
O=c1nccc(-c2n[nH]c3c2CN(c2ccn(Cc4ccccc4)c(=O)c2)CC3)[nH]1,0,0,0,0
C[C@H](c1ccccc1)N(CC#Cc1ccc2c(c1)C[C@@]1(C2)C(=O)Nc2ncccc21)C(=O)C(C)(C)C,0,0,0,0
COc1ccc([N+](=O)[O-])cc1N(CC(O)Cn1nnc2ccccc21)S(=O)(=O)c1ccc(C)cc1,0,0,0,0
COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(=O)NS(C)(=O)=O,0,0,0,0
COc1ccccc1NC(=S)NCC1CCC(CNC(=S)Nc2ccccc2OC)CC1,0,0,0,0
O=C(O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccc(Cl)c3)cc2)s1,0,0,0,0
COc1cc(/C=C(/C(=O)c2cccs2)c2nc3ccccc3[nH]2)cc(OC)c1O,0,1,0,0
CC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1,0,0,0,0
Nc1cccc(Nc2ccc3c(c2)OCc2ccc(OCCN4CCOCC4)cc2C3=O)c1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(N)c(C(=O)O)c2)c1,0,0,0,0
COc1cccc(-c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2)c1,0,0,0,0
CN(C)c1ccccc1CNCCCCCCCCNc1c2c(nc3ccccc13)CCCC2,0,0,0,0
COc1ccc(C(=O)C2CCN(C(=S)NCC3CCCO3)CC2)cc1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)NCCO)cc3)cc2n(C)c1=O,0,0,0,0
Cc1ccc2nc3c(nc2c1C)CCCC3,0,0,0,0
Cc1ccc(-n2ncc3c2CC(C)(C)CC3NC(=O)CCCN2CCCCC2=O)cc1,1,0,0,0
COC(=O)N(CC1CCCC1)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc1,0,0,0,0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C(=O)CNC(=O)O[C@@H]4C[C@@H]5CC(O)CC[C@]5(C)[C@H]5C[C@H](O)[C@]6(C)[C@@H]([C@H](C)CCC(=O)O)CC[C@H]6[C@H]45)cc3)C[C@@]21C,0,0,0,1
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
COc1ccc(Br)cc1/C=N/N1C(=O)CSC1=S,1,0,0,0
CCOC(=O)c1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1,0,0,0,0
C=CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1,0,0,0,0
C/C(=N\Nc1cccc2cccnc12)c1ccccc1O,0,1,0,0
CN1C[C@@H]2C[C@H]1CN2c1ncc(-c2ccccc2)cn1,0,0,0,0
N=C(N)SCCCn1c(-c2cc3ccccc3s2)c(C2=CC(=O)NC2=O)c2ccccc21,0,0,0,0
CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)c(F)c3)n2)[C@H](C#N)C1,0,0,0,0
COc1cc(Cl)ccc1NC(=O)COc1ccccc1C(=O)N1CCN(c2ccc(O)cc2)CC1,1,0,0,0
Cc1csc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)n1,1,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3C)c(F)c2)CC1,0,0,0,0
Fc1cccc(F)c1CN1CCN(Cc2c(F)cccc2F)CC1,0,0,0,0
Cc1cccc2oc(-c3cn4nc(C(C)(F)F)sc4n3)nc12,0,0,0,0
CCc1cc(C2CC2)c(-c2nc3c([nH]2)CN(C)CC3)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
FC(F)(F)c1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1,0,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(F)cc2)c1,0,0,0,0
CCC1=C2CCC3C(=O)N(CC)C(=O)C3C2C2(Cc3ccccc3)C(=O)N(Cc3ccccc3)C(=O)N2C1=O,0,0,0,0
CC1OC(OCC2OC(Oc3c(-c4ccc(O)cc4)oc4cc(O)cc(O)c4c3=O)C(OC3OC(C)C(O)C(O)C3O)C(O)C2O)C(O)C(O)C1O,0,0,0,0
CCOC(=O)c1c(C)oc2nc(C)nc(NCCc3ccc(OC)c(OC)c3)c12,0,0,0,0
N#Cc1cc2cnccc2c2[nH]c3ncccc3c12,0,0,0,1
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(C(C)C(F)(F)F)C2=O,0,0,0,0
Cc1cc(=O)cc(C)n1-c1ccccc1Br,0,0,0,0
N#Cc1cc2c(cn1)[nH]c1ncc(-c3cccc(CO)c3)cc12,0,0,0,0
C=CCOc1ccc(C=C2C(=O)ON=C2C)cc1OC,0,0,0,0
N#Cc1ccccc1NC(=S)NC(=O)c1cccs1,0,1,0,0
COC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2ccccc2C(=O)OC)o1,0,0,0,0
COc1ccc(OC)c(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1,0,1,0,0
COc1cc(S(=O)(=O)c2cccc(OC(F)F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
Cc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C,0,0,0,0
Cc1cc(Cl)nc2ccc(Cc3ccc4nc(Cl)cc(C)c4c3)cc12,0,0,0,0
COc1cc2nc(N(C)C)nc(N)c2cc1OC,0,0,0,0
Cc1ccc(COC(=O)c2ccc(-c3nnn(Cc4ccc(C)cc4)n3)cc2)cc1,0,0,0,0
OC(COc1cccc(-c2cccc(F)c2F)c1)CN1CCc2ccccc2C1,0,0,0,0
COC(=O)CCC(=O)Nc1sc2c(c1C#N)CCCC2,0,0,0,0
COc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1OC,0,0,0,0
Cc1ccc([C@H](C)N=C2NC(=O)C(C)(C(C)(C)O)S2)cc1,0,0,0,0
COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1cccc(OC)c1,0,0,0,0
Cc1cc(N2CCC(COc3ccc4c(c3)CN(C(=N)N)CC4)(C(=O)O)CC2)ccn1,0,0,0,0
OCc1nc(-c2ccc3c(Nc4cc(O)c(F)cc4Cl)ccnc3c2)cs1,0,0,0,0
COc1cccc(-c2cc(OC)c(-n3c(=O)ccc4cc(S(=O)(=O)Nc5ccon5)ccc43)cc2F)n1,0,0,0,0
COCCNC(=S)N/N=C/c1ccc(N2CCOCC2)cc1,0,0,0,0
CCOc1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2C)cc1,0,0,0,0
Clc1ccc2c(c1)C(=NCCN1CCCC1)Nc1cccnc1N2,0,0,0,0
NC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)c1,0,0,0,0
CCOc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1,0,0,0,0
CCSc1ncc(-c2cc(-c3ccc(Br)cc3)nc(N)c2C#N)n1Cc1ccccc1,0,0,0,0
Cc1ccccc1NC(=S)NCC1CCC(CNC(=S)Nc2ccccc2C)CC1,0,0,0,0
C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(C4CCN(C)CC4)cc3OC)n2)c1,0,0,1,0
COc1ccc(C=Nn2c(=O)[nH]c3c([nH]c4ccc(C)cc43)c2=O)cc1CN1CCOCC1,0,0,0,0
O=C(OC1CCN(c2ccncc2)CC1)N1CCN(C2CCC2)CC1,0,0,0,0
CC1Cn2c(nnc2-c2cccc(Cl)c2)S1,0,0,0,0
N#Cc1ccc(OCCn2c[n+]([C@@H]3O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]3O)c3nc(N)[nH]c(=O)c32)cc1,0,0,0,0
CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)N(C)C)C(C)C,0,0,0,0
COc1ccccc1N1CCN(C(CNC(=O)C(=O)NCc2ccc(F)cc2)c2cccnc2)CC1,1,0,0,0
C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2[N+](=O)[O-])CC1,0,0,0,0
Cc1ccc(C(c2ccccc2Cl)N2C3CCC2CC(O)(C2CCCC2)C3)c(Cl)c1,0,0,0,0
COc1ccc(/C=C2\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)cc1,0,0,0,0
O=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccccc1,0,1,0,0
O=C(c1cccc(Cl)c1)N1CCN(C(=O)c2ccccc2F)CC1,0,0,0,0
CCOC(=O)[C@@]1(Cc2ccccc2)CCc2cnc3c(-c4ccc(Cl)cc4)cnn3c21,0,0,0,0
Clc1ccccc1Nc1ncc(Cl)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
COc1ccccc1[C@H](SC)C(=O)N1CC2C(=O)CSC(c3ccccc3)(c3ccccc3)C2C1,0,0,0,0
CCCOc1ccc(C(C)=O)cc1CC1C(=O)NC(=S)NC1=O,0,0,0,0
CC(C)CSc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,0,0,0,0
COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21NC(N)N(CCF)C1=O,0,0,0,0
COC(=O)CCCCC1SCC2NC(=O)NC21O,0,0,0,1
Cc1ccc(CN2CCN(C3CCN(C(=O)c4ccccc4)CC3)C(=O)C2=O)cc1,0,0,0,0
COc1cc(N2CCOCC2)ccc1/C=C1\C(=O)NC(=O)N(Cc2cccs2)C1=O,0,0,0,0
CCn1cc(C(=O)N2CCOCC2)c2ccccc21,0,0,0,0
O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccccc1,0,0,0,0
CCCOc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
O=C1CSC(=NN=Cc2ccn[nH]2)N1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCCC(C(=O)Nc2cccc(CC)c2)C1,1,0,0,0
CC(C)(C)c1ccc(Cn2c(C(=O)O)cc3ccc(Cl)cc32)cn1,0,0,0,0
CN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21,0,0,0,0
O=C1CCCN1C1CCN(Cc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0,0,0,0
CN1C(=O)/C(=C/c2ccc(C(=O)NC3CCCC3)cc2)Oc2ccccc21,0,0,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CNCCC(F)(F)F)ns2)n1,0,0,0,0
CCCCC1CN(S(=O)(=O)N2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0
CCOC(=O)C1=CCN(S(=O)(=O)c2cccc(Cl)c2)C1c1ccc(F)cc1,0,0,0,0
CCOC(=O)N1C[C@H](CC(=O)O)[C@H](c2cccc(OCCc3nc(-c4ccccc4)oc3C)c2)C1,0,0,0,0
CCOC(=O)c1cc(-c2ccccc2C)n(Cc2cc(C)no2)n1,0,0,0,0
COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1Cl,0,0,0,0
CCNc1ncc2nc(-c3ccccc3)c(=O)n(CCC#N)c2n1,0,0,0,0
CCCCNC(=O)Oc1cccc(CN(CC)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
Cc1ccc(OCCCNCCOc2ccc(Cl)cc2)cc1,0,0,0,0
CCCCOC(=O)c1ccc(NC(c2ccc(C)cc2)P(=O)(OC)OC)cc1,1,0,0,0
Cc1c(Cl)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
O=C1C(C(c2ccccc2)N2CCCCC2)Sc2ncnn21,0,0,0,0
OC(COc1cccc(-c2ccccc2F)c1)CN1CCc2ccccc2C1,0,0,0,0
O=C(COn1nnc2ccccc21)NCC1CCCCC1,0,1,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1)C(=O)O,0,0,0,0
CC(=O)N(C)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1,0,0,0,0
C[C@@]1(c2nc3ccccc3o2)CC(c2ccc3c(=O)n(-c4ccc(F)cc4)c(CCCCC(=O)O)nc3c2)=NO1,0,0,0,0
CCCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1,0,0,0,0
C/C(=N\NC(=O)c1ccccc1F)c1ccccn1,0,1,0,0
CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(O)cc12,0,0,0,0
O=C(O)c1c(NS(=O)(=O)c2ccccc2NCC2CCNC2)ccc2c1CCCC2,0,0,0,0
NC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
CCOC(=O)C1C(=O)N(C(=O)c2cncc(Br)c2)CC1c1ccccc1,0,0,0,0
Cn1c2c(c3ccccc31)C1CCC(C2)N1CCCCc1ccccc1,0,0,0,0
Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(CCO)CC5)cc4c3)n2)c1,0,0,0,0
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c2cc(OC)c(OC)cc2c1=O,1,0,0,0
O=C(c1ccco1)N1CCC2(CCN(Cc3nccs3)CC2)CC1,1,0,0,0
CN(C)Cc1ccc(-c2ccc3ccn(C(N)=O)c3n2)cc1,0,0,0,0
O=C(O)CSc1n[nH]c(-c2cccc(-c3ccc4ccccc4c3)c2)n1,0,0,0,0
CN1CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@H]3[C@H]1C5,0,0,0,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccccc2)CC1,1,0,0,0
O=C(NCc1cccs1)[C@@H]1CN(C(=O)CCl)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
CC(C)(C)C(=O)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1,0,0,0,0
Cn1c(=O)c2[nH]c(N=Nc3ccc(N)cc3N)nc2n(C)c1=O,0,0,0,0
Cc1csc(NC(=O)c2cccc(C)c2C)n1,0,1,0,0
CNc1nc2[nH]c(-c3cccc(CNC(=O)CCOC)c3)cc2c2c1ncn2C,0,0,0,0
O=C(NCCCN1CCOCC1)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1,1,0,0,0
COc1ccc2oc(-c3cn4nc(OC)sc4n3)nc2c1,0,0,0,0
CCc1nn2cc(-c3ccccc3)nc2s1,0,1,0,0
O=[N+]([O-])c1ccc2[nH]c(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)nc2c1,1,0,0,0
CCCCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3CC)ccc2OC)cc1,1,0,0,0
CCCC(=O)N(Cc1cccnc1)c1ccc(OCc2ccc3ccccc3n2)cc1,0,0,0,0
S=c1[nH]nc(NCCCN2CCOCC2)s1,0,0,0,1
COCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C[C@@H](N)CS,0,0,0,0
COc1ccc(-c2nc3n(c(=O)c2C#N)CCS3)c(OC)c1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1c(C)cc(C)cc1C,0,0,0,0
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1ccccc1C,0,0,0,0
CC(C)(O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
O=C(c1ccco1)[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCN(S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,0,0,0,0
Cc1nc2cnc(N3CCNCC3)nc2n(C2CC2)c1=O,0,0,0,0
O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccc([N+](=O)[O-])cc1)NO,0,0,0,0
CC(C)Oc1cc2c(-c3cc(N4[C@@H](C)COC[C@@H]4C)ncn3)n[nH]c2cc1F,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)c(F)c1)N1CC(Nc2ccccc2)C1,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1OC,0,0,0,0
COCCC1CCCCN1C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1,1,1,0,0
COc1cc(C=NNC(=S)NCc2ccccc2)ccc1OCC#N,0,0,0,0
Cc1ccccc1CN1CCN2C[C@H](C)[C@](C)(c3cccc(O)c3)C[C@@H]2C1,0,0,0,0
CCc1nccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NS(=O)(=O)c2cccc(F)c2)CC1,0,0,0,0
CC(=O)Nc1cccc(NC(=O)c2cc(-c3cccnc3)nc3ccc(Cl)cc23)c1,1,0,0,0
CCN1CCN(c2cc(-c3n[nH]c4ccc(OC(C)C)cc34)ncn2)CC1=O,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3ccc(C)nc3C)c(=O)n(C)n2)nc1,0,0,0,0
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C(F)(F)F)n(C3CCOCC3)c2n1,0,0,0,0
Clc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)cc1,0,0,0,0
C[C@@H](Oc1c(N)ncc2c(-c3ccncc3)coc12)c1c(Cl)ccc(F)c1Cl,0,0,0,0
CC1=NN(C(=O)c2ccc(Cl)cc2)C(O)C1N=Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0,0,0
Cc1ccc2c(c1Br)/C(=N/N1C(=O)c3ccccc3C1=O)C(=O)N2,0,1,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1ccc2nc(Nc3ccc(Cl)cc3)c3nncn3c2c1,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccccc1,0,0,0,0
O=[N+]([O-])c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12,0,0,0,0
COc1ccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCCC2)c(OC)c1,1,0,0,0
COC(=O)Nc1nc2cc(C(=O)C3CC3)ccc2[nH]1,0,0,0,0
Cc1nc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c2oc3ccccc3c2n1,1,0,0,0
O=C(/C=C/c1ccc2c(c1)CN(S(=O)(=O)c1ccncc1)C2)NO,0,0,0,0
O=c1c2ccc(O)cc2ncn1-c1ccc(O)cc1,0,0,0,0
Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c(=O)c4cc(Br)ccc4n1c23,0,0,0,0
O=c1oc2cc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2c2c1CCC2,0,0,0,0
Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1,0,0,0,0
CN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,0,0,0,0
CCCCCn1c(Sc2ccccc2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
Cc1cnc(-c2c(Cl)cnc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)c2F)c(C)c1,0,0,0,0
Cc1cc(N2CCN(c3nc(-c4ccc([N+](=O)[O-])cc4)cs3)CC2)c2ccccc2n1,0,0,0,0
O=C(O)c1cc2ccc3ccccc3c2oc1=O,0,0,0,0
CC(=O)Nc1ccc(OC(=O)N2CCCCC2)cc1,0,0,0,0
c1ccc(CN2CCC3(CC2)OCCc2sccc23)cc1,0,0,0,0
CC(C)CC(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1,0,0,0,0
Cc1ccc(C)c(CNC(=O)c2ccc3c(c2)nc2n3CCCCC2)c1,0,1,0,0
CCc1cc(C(=O)c2[nH]c3cc(Cl)ccc3c2CC(=O)O)ncc1Cl,0,0,0,0
Cc1nn(C)c(C)c1S(=O)(=O)NC1CCCC1,0,0,0,0
CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccnc(N)n1,0,0,0,0
O=C(O)C1CSC2(CCN(Cc3ccccc3)CC2)N1,0,0,0,0
CC(C)c1nc2oc3c(N(C)CCO)ncnc3c2c2c1CCC2,0,0,0,0
CCOC(=O)CNc1nc(Cl)c(C#N)s1,0,0,0,0
COc1nn2cc(-c3cccc(F)c3)nc2s1,0,0,0,0
Cc1c(Nc2cc(N3CCCC(C)C3)c3nonc3c2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1cccc2c1CC[C@H]1C(=[N+]=[N-])C(=O)CC[C@]21C,0,0,0,0
Cc1cccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C,0,0,0,0
CC(C)(C)C(=O)NC(=S)Nc1ccccc1N1CCCC1,0,0,0,0
CCOc1ccc(/C=C2\SC(=S)N(CC(=O)NCCCN3CCOCC3)C2=O)cc1,0,1,0,0
COCCOc1ccc(Cc2cc([C@@H]3OC(OC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
O=C(CSc1nnc(Nc2ccccc2F)s1)c1cc2ccccc2o1,1,0,0,0
O=C1CC(Nc2ccccc2)=NN1c1ccccc1,0,0,0,0
O=C1CCc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=S)OC(C)C)CC2)c1F,0,0,0,0
Cc1cccc(-c2cc3nc(C)c(CN)c(-c4ccc(Cl)cc4Cl)n3n2)c1,0,0,0,0
Cc1cccc(-n2c(O)c(C=NCc3ccccn3)c3ccccc3c2=O)c1,0,0,0,0
O=c1c2ccccc2ncn1-c1ccc([N+](=O)[O-])cc1Cl,0,0,0,0
OCCC1CC(O)C(O)C2(OCc3ccccc32)O1,0,0,0,0
COC(=O)C1(C(=O)OC)NOC2C(=O)N(N(C)c3ncc(C(F)(F)F)cc3Cl)C(=O)C21,0,0,0,0
Cc1c(-c2ccccc2)[nH]n2c(=O)c3c(nc12)CCCC3,0,1,0,0
CCc1nc(N)c2ncn([C@H]3O[C@@H](COP(=O)(O)C(F)(F)P(=O)(O)OC[C@H]4O[C@@H](c5nc(C(N)=O)cs5)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)c2n1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-c3ccc(=O)[nH]c3)cc2)C2CC2)CC1,0,0,0,0
C=CCn1c(-c2ccc([N+](=O)[O-])cc2)n[nH]c1=S,0,0,0,0
CN(C)C1(c2ccccc2)CCC(NCc2ccccc2)CC1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CC(F)(F)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
CCC1CCCCN1C(=O)c1sc2ncnc(N(CC)CC)c2c1C,0,0,0,0
CCOc1ccc2c(c1)[C@@H](c1cccc(OC)c1OCC(=O)O)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
O=C1Cc2ccccc2N1C1CCN(C2CCCCCCC2)CC1,0,0,0,0
CCCc1c(-c2nc(C3CCCC3)no2)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12,0,0,0,0
CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,1,0,0,0
Cc1ccc(-c2ccccc2NCC2=NCCN2)o1,0,0,0,0
CCN1CCN(Cc2cc(Br)cc(OC)c2O)CC1,0,0,0,0
Cc1cc(N2C[C@H]3CN[C@H]3C2)cnc1C,0,0,0,0
CN(C)CCCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
Cc1cc(NCCO)nc(-n2nc(C)cc2C)n1,0,0,0,0
Cc1ccccc1OCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],0,0,0,0
COc1cc2c(cc1OCCN1CCOCC1)Nc1cc(-c3ccc([N+](=O)[O-])c(OC)c3)ccc1C(=O)N2,0,0,0,0
CCN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)NC(=O)CS2,0,0,0,0
Cn1c(=O)c2c(nc(N/N=C/c3ccc(OC(=O)c4ccco4)cc3)n2Cc2ccc(F)cc2)n(C)c1=O,1,0,0,0
Cc1nn(C)c(C)c1N(C)S(=O)(=O)c1c(Cl)cc(CCCN2CCCNCC2)cc1Cl,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3scnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1,0,0,0,0
Cc1c(Cc2ccc(C(=O)O)cc2S(=O)(=O)c2ccccc2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
CC(C)(CO)Nc1nc(SCc2ccco2)nc2nc(N)sc12,0,0,0,0
O=C(O)CCCn1nc(-c2c(-c3ccccc3)nn3ccccc23)ccc1=O,0,0,0,0
Cn1nccc1Nc1cc(-n2ncc3cc(C#N)cnc32)ncc1C(=O)NC[C@H](F)C(C)(C)O,0,0,0,0
COc1cc(N(CC2CC2)c2ccc(F)c3ccccc23)cnc1C(=O)C1CC1c1nn[nH]n1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(N)c3)c12,0,0,0,0
Cc1nc2cc(-c3ccccc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,0,0,0,0
CNc1nc(C)c(-c2nc(Nc3cccc(C(=O)N4CCN(C)CC4)c3)ncc2C#N)s1,0,0,0,1
Nc1cccc(Oc2ccc3c(c2)C(=O)N(CC2CCCO2)C3=O)c1,0,1,0,0
Cc1ccccc1Nc1nc(N)nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)n1,0,0,0,0
O=S(=O)(NC1CCN(S(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F,0,0,0,0
Cc1ccc(NC(=O)CCCC2CCCCC2)c(O)c1,0,1,0,0
O=C(c1ccccc1C(F)(F)F)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2,0,0,0,0
N#Cc1c(-c2ccccc2)[nH]c(=S)[nH]c1=O,0,0,0,0
CCN(CC)CCCNC(=O)Cc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CN(Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1)C1CCCCC1,0,0,0,0
N#Cc1cnc(=NOCc2ccc(Cl)cc2)[nH]c1,0,0,0,0
O=c1[nH]c2ccccc2n1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
O=P(c1ccccc1)(c1ccccc1)N(Cc1ccccn1)c1cccnc1,0,0,0,0
CC(C)C(NC(=O)Cn1ccc2c(=O)n(Cc3cccc4ccccc34)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,0,0,0,0
CCCN(C)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0,0,0,0
CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CCN(C)C)c3n2)cc1,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(C(F)(F)F)c2)c1)C(F)(F)F,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(Nc4nc(Cl)ns4)c3)c12,0,0,0,0
CC(C)(C)NC(=O)Cn1c(-c2ccc(F)cc2F)cc2cc(C(C)(C)C(=O)NC(C)(C)C)ccc21,0,0,0,0
COc1ccc(CO)cc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
COC(=O)CC1CC2(C(=O)c3c(O)cccc3C2(O)C(=O)OC)C(C)O1,0,0,1,0
O=C1c2ccccc2CCCC12N=NCC2c1cccc2ccccc12,1,0,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C)C(=O)C4)ncn3)c2c1,0,0,0,0
CC1(C)OC(=O)N(c2ccn3c(Nc4ccnc5cccnc45)nnc3c2)[C@H]1c1ccccc1,0,0,0,0
CN(C)c1ccccc1CC(=O)N1CC2C(=O)CSC(c3ccccc3)(c3ccccc3)C2C1,0,0,0,0
O=C1CN(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2N1,0,0,0,0
CCOc1ccc(CN2CCN(CC=Cc3ccc(OC)cc3)CC2CCO)cc1,1,0,0,0
CCN1C(=O)C(O)(CC(=O)C(C)(C)C)c2cc(Br)ccc21,0,0,0,0
CCn1c(-c2ccc(OC)c(OC)c2)n[nH]c1=S,0,0,0,0
Cc1nc(C)c(C(=O)Nc2ncc([N+](=O)[O-])s2)o1,0,1,0,0
COc1ccc(-c2c(C)c3c(n2-c2ccccc2Cl)CCN(N2CCCCC2)C3=O)cc1,0,0,0,0
Nc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1,0,0,0,0
CN1CCN(S(=O)(=O)c2csc(C(N)=O)c2)CC1,0,0,0,0
COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(C#N)cc23)c(F)n1,0,0,0,0
NNC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(C(C)(C)O)S1)c1ccccc1C(F)(F)F,0,0,0,0
Nc1nc(N)c2nc(CN(CCCCC(=O)O)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,0,0,0,0
O=C1OCc2c1cc1cc3c(cc1c2-c1ccc2c(c1)OCO2)OCO3,0,0,0,0
Cc1ccc(S(=O)(=O)NCCCN2CCC(O)(c3ccc(Cl)cc3)CC2)cc1,0,0,0,0
CCN(CC)C1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1,0,0,0,0
C=CCOc1cc(Cl)c(Cc2ccc(OC)cc2)cc1[C@H]1O[C@@H](SC)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
O=S1(=O)c2ccccc2N(Cc2ccc(F)cc2)c2ccccc21,1,0,0,0
CC(=O)Nc1nc(C)cs1,0,0,0,0
CN1CCCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1,0,0,0,0
CC(=O)OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C32,0,0,0,0
COCCN[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccccc1F,0,0,0,0
CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(CC)c(=O)c21,0,0,0,0
O=C(OCc1ccccc1)c1ccc(-c2nnn(Cc3ccccc3F)n2)cc1,0,0,0,0
Cc1cccc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c1,0,0,0,0
COc1ccc(/C=N/Nc2cc(=O)n(C)c(=O)n2C)cc1OC,0,0,0,0
CC1CCCCN1CCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O,1,0,0,0
COc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2)c1,0,0,0,0
O=C(c1ccc(N2CCOCC2)nc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1,0,0,0,0
COCc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C)c(C)[nH]1,0,0,0,0
Cc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,0,0,0,0
O=C(NN=Cc1c(O)ccc2ccccc12)c1cc(-c2ccc3ccccc3c2)n[nH]1,1,0,0,0
CCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,1,0,0,0
CC(=O)c1nccs1,0,0,0,0
Nc1nc(N)c(CCCNc2cnc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)s2)c(=O)[nH]1,0,0,0,0
CC(C)(C)c1ccc(C(=O)Nc2onc3c2CCCC3)cc1,0,1,0,0
CC(C)N1CCC(Oc2ncc(C(=O)c3ccc(Cl)cc3)n2C)CC1,0,0,0,0
CC(C)CC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
COc1ccc(CNCCSc2nnnn2-c2ccccc2)c(OC)c1,0,0,0,0
COC(=O)CSc1nc(C)c2ccc(OC)cc2n1,0,0,0,0
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)C1=CNc1ccccc1N1CCCC1,0,0,0,0
O=C1C[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)Nc2ccccc2)N1,0,0,0,1
CCN1C(=O)c2cc(C)nc(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)c2C1=O,0,0,0,0
COc1cc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccccc1,1,0,0,0
O=C(CSc1nnc(NCc2ccccc2)s1)c1ccco1,0,1,0,0
CC1(C(=O)CSc2nc3ccccc3s2)CCC(=O)O1,0,0,0,0
CC(C)CC(Nc1ccc2cc(C(F)(F)F)ccc2n1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
COc1ccc(CCN2C(=O)C(Oc3ccccc3)C2c2ccc3c(c2)OCO3)cc1,0,0,0,0
CCOc1ccc(C2NC(=O)C(C#N)C(=S)N2c2ccc(OC)cc2)cc1OC,0,0,0,0
CCCC1=Nc2cc(C(=O)NCC(C)c3ccccc3)ccc2Sc2ccccc21,1,0,0,0
Fc1ccccc1-c1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Cl)cc2)o1,0,0,0,0
O=Cc1c(N2CCC3(CC2)OCCO3)nc2ccccn2c1=O,0,0,0,0
Cc1cccc(NC(=O)Nc2cc(C)cc(C)n2)c1,0,1,0,0
CCn1c(-c2ccccc2)c(C(=O)O)c2ccccc21,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(Cl)c3Cl)c(F)c2)CC1,0,0,0,0
S=C(NCc1ccco1)Nc1ccc(Oc2ccc(Cl)cc2)cc1,0,0,0,0
CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1,0,0,0,0
CC(CCc1ccco1)NC(=O)Cn1ncc2c1-c1ccccc1OC2,1,0,0,0
CC/C(=C(/c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1,0,0,0,1
CCOC(=O)N1CCN(C(C)c2ccc(S(=O)(=O)c3ccccc3)cc2)CC1,0,0,0,0
CC1(C)CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CCC1CNS(=O)(=O)C(F)(F)F,0,0,0,0
CCOC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)c(OCC)c1,0,0,0,0
CCC[C@@H](C(=O)O)n1c(=O)c2cnccc2n(Cc2cn(C)c3cccc(C)c23)c1=O,0,0,0,0
Cc1ccc(CCNc2nc3c(S(=O)(=O)c4ccc(C)cc4)nnn3c3ccsc23)cc1,0,0,0,0
O=C1NC(=O)C(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)O1,0,0,0,0
O=C(Nc1ncc([N+](=O)[O-])s1)c1cccc([N+](=O)[O-])c1,0,1,0,0
CCC(=O)C1CCCN(C(=O)CCc2nnc(-c3ccc(C(C)=O)s3)o2)C1,0,1,0,0
CC[C@@]12CC[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12,0,0,0,0
O=C(c1ccc(O)cc1OC[C@@H](O)CN1CCC2(CC1)Cc1cc(Cl)ccc1O2)N1CCOCC1,0,0,0,0
O=C(CCC1CCCCC1)Nc1ccccc1O,0,1,0,0
CCNC(=O)c1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(F)c(Cl)c1,0,0,0,0
C/C(CCc1ccc2c(c1)OCO2)=N\NC(=N)SC1CC(=O)N(c2ccccc2F)C1=O,1,0,0,0
CC=C(C=C(C)C=CC=CC=C(C)C(=O)C12OC1C(O)(CCO)NC2=O)C(=O)OC,0,0,0,0
Nc1ccccc1-c1nnc(SCc2ccccc2F)[nH]c1=O,0,0,0,0
CCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
CCOC(=O)c1nc(S(C)(=O)=O)ncc1N1CCOCC1,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(C)on2)C1,1,0,0,0
COc1ccccc1-c1nnc(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)o1,0,0,0,0
O=C(CN1CCOCCOCCN(CC(=O)Nc2ccccc2)CCOCC1)Nc1ccccc1,1,0,0,0
CN1CCN(c2ccc(Nc3cc(-n4cnc5ccccc54)ncn3)nc2)CC1,0,0,0,1
Cc1ccc(C)c(N2CCN(C(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,0,0,0,0
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C(=O)OC)cc2)c1,0,0,0,0
CCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,0,0,0,0
COc1cccc(Nc2ncc3nc(-c4ccc(F)cc4)c(=O)n(C)c3n2)c1,0,0,0,0
COc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1nc(C)n([C@H]3CCN(C(=O)CO)C[C@@H]3F)c12,0,0,0,0
CC1=NOC(=O)/C1=C/c1ccc(O)cc1,0,0,0,0
O=c1ccc(/C=C/c2ccccc2)n[nH]1,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccc(OC)cc2)C1,1,0,0,0
COc1cccc(-c2onc3ccc(C(=O)C=CN(C)C)cc23)c1,0,0,0,0
Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)N3CCC(C(=O)O)CC3)ccc12,0,1,0,0
COc1cc2c(cc1NS(=O)(=O)N1CCCC1)oc1ccccc12,0,0,0,0
Cc1ccccc1S(=O)(=O)N=C(c1ccccc1)N1CCOCC1,0,0,0,0
O=S(=O)(Nc1nccs1)c1ccc2c(c1)OCCN2c1ncc(Cl)cc1Cl,0,0,0,0
COCc1ccc2nccc(SC3(C(=O)O)CCC3)c2c1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1ccccc1Cl,0,0,0,0
c1ccc(-c2nc(OCCCN3CCCCC3)sc2-c2ccccc2)cc1,0,0,0,0
c1ccc2c(c1)-c1cccc3c1c-2cc1ccccc13,0,1,0,0
CCCN(CCC)[C@H]1COc2c(cccc2-c2ccccc2)C1,0,0,0,0
C=CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C(CO)NC(=O)c1ccc(OC)cc1,1,0,0,0
O=C1COC(c2ccccc2)=CN1Cc1ccccc1,0,0,0,0
CCOc1cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)ccc1OCc1ccccc1,0,0,0,1
Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4cccnc4C)cn23)n1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](N)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
O=S(=O)(c1ccc(OC(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
CC1(C)O[C@H]2[C@@H]3OS(=O)(=O)O[C@@H]3CC[C@@]2(COS(N)(=O)=O)O1,0,0,0,0
CC(CC1(O)C(=O)N(C)c2ccccc21)=NO,0,0,0,0
NC(=S)NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1,0,0,0,1
CCN1CCc2cc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)C(C)C)n3)c(OC)cc2CC1,0,0,0,0
COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)c(OC)c2)cc1OC,1,0,0,0
COc1ccc(CCNCC(N)P(=O)(O)CC(Cc2ccccc2)C(=O)O)cc1,0,0,0,0
O=C1OC(Cc2ccncc2)C(O)=C1C1=NCCCN1,0,0,0,0
O=C(c1ccc(Cl)cc1F)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
Cc1ccnc2c1ccc1ccccc12,0,1,0,0
CC1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1,0,0,0,0
COC1CCC2C(Cc3c4ccccc4cc4ccccc34)CNCC2C1=O,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(=O)NC(CF)CF,0,0,0,0
Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)N3CCC(Oc4ccccc4F)CC3)sc12,0,0,0,0
C[C@@H]1CC(n2c(=O)[nH]c3ccccc32)C[C@@H](C)N1C(=O)c1cc(Cl)c(N)c(Cl)c1,0,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5cccc(OC)c5)CC4)ccc3c2=O)cc1,0,0,0,0
Nc1nc(Nc2ccccc2)nc2ccccc12,0,1,0,0
CCOc1cc2[nH]c(=S)n(C(C)C)c(=O)c2cc1OCC,0,0,0,0
CNC(=O)c1ccc(C)c(Nc2ncnn3cc(C(=O)c4cccc(C)n4)c(C)c23)c1,0,0,0,0
N#Cc1ccc(-c2nc3cc(C#N)c(C#N)cc3nc2-c2ccccc2)cc1C#N,0,0,0,0
COc1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1,0,0,0,0
CC(C)CC(=O)N1CCN(Cc2cccc(F)c2)CC1,0,0,0,0
COc1ccc(OC)c(C(=O)CSc2ncc3c(n2)-c2ccccc2N(Cc2ccccc2C)S3(=O)=O)c1,1,0,0,0
Cc1cc(Nc2cc(N3CCN(C)CC3)nc(Sc3ccc(NC(=O)C4CC4)cc3)n2)n[nH]1,0,0,0,1
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccc(F)c3)C(c3cccs3)C2)cc1,0,0,0,0
CCCN(CCC)C1Cc2cccc3ncn(c23)C1,0,0,0,0
COc1ccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)cc1,1,0,0,0
O=C(c1cc(OCC(F)(F)F)c(C2CC2)cn1)N1CCCC12COC2,0,0,0,0
CN1CCN(Cc2c(F)cccc2Cl)CC1,0,0,0,0
CC(Nc1nc(-c2cccnc2)nc2ccccc12)c1ccc(F)cc1,0,0,0,0
Cc1nc(NC(=O)c2ccccc2O)sc1C,0,1,0,0
CC(C)(C)[C@H](NC(=O)n1c(=O)n(CC2(O)CCOCC2)c2ccccc21)C(N)=O,0,0,0,0
Cc1ccc(NC(S)=NN=Cc2c(C)nn(-c3ccccc3)c2N2CCCC2)cc1,1,0,0,0
COc1ccc(C(C2Sc3nc(C)nn3C2=O)N2CCC(O)CC2)cc1OC,0,0,0,0
Cn1cc2cc(Nc3nc(N[C@@H]4CCOC[C@@H]4N)nnc3C(N)=O)cc(-c3ccccc3)c2n1,0,0,0,0
Cc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(C(F)(F)F)c1,0,0,0,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C\C(=O)O)C(C)(C)CCC1,0,0,0,0
O=C(c1ccccn1)c1conc1C(=O)c1ccc(Br)cc1,0,0,0,0
CCSc1nc2c(sc3ccccc32)c(=O)n1C(C)C,0,0,0,0
Cc1nc(CC(c2ccccc2)c2ccccc2)c(C(=O)O)c(C(=O)O)c1O,0,0,0,0
C[C@H](Oc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1)C(C)(C)O,0,0,0,0
CN(C)CC(C)(C)c1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
c1ccc(Cc2nn[nH]n2)c(COc2ccc(OCc3ccc4ccccc4n3)cc2)c1,0,0,0,0
CC1CCN(C(=O)c2ccc(C#Cc3ccccc3)cc2)CC1,0,0,0,0
CCN1CCN(C(=O)O[C@@H]2CC[C@]3(CO3)[C@@H](/C(C)=N/OCC3CCCCC3)[C@@H]2OC)CC1,0,0,0,0
Cl.Fc1ccc2c(c1)nnn2C1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0,0,0
Cc1nccc(-c2ccc(-n3cnc4ccccc43)cc2)n1,0,0,0,0
Cn1c(=NC(=O)C2=NNC(=O)CC2)sc2ccccc21,0,0,0,0
COc1cccc(-c2ccccc2Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)c1,0,0,0,0
O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO,0,0,0,1
CCc1ccc(OCC(=O)NC(N=C(S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)cc1,1,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OC(C)CO)cc3)oc2c1,0,0,0,0
Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3c(F)cccc3C4)nc12,0,0,0,0
O=C1Nc2ccccc2/C1=C/C(=O)c1ccc(O)c(O)c1,0,0,0,0
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCOc2ccc(Cl)cc21,1,0,0,0
CC(C)c1nc(CN(C)C(=O)N[C@@H](CCN2CCOCC2)C(=O)N[C@H](CC[C@H](Cc2ccccc2)NC(=O)OCc2cncs2)Cc2ccccc2)cs1,0,0,0,0
CC(O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1,0,0,0,0
COc1ccc(OC)c(N2C(=O)NC(=O)C(CCc3ccncc3)(CCc3ccncc3)C2=O)c1,0,0,0,0
COc1ccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc5[nH]ccc5c4)cc23)cc1,0,0,0,0
Nc1c(Br)cc(Br)cc1CN[C@H]1CC[C@H](O)CC1,0,0,0,0
CN(C[C@H](C(=O)NO)[C@@H](CC1CCCC1)C(=O)N1CCCCC1)S(=O)(=O)c1cccc2ccccc12,0,0,0,1
Nc1c(/C=C2/C=CC(=O)C(O)=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12,0,0,0,0
Cc1ccc(-n2nc(-c3ccc(N)cc3)cc2N)cc1,1,1,0,0
Cc1ccc(S(=O)(=O)N2CCOC23CCN(C(=O)C(=O)NCCC(C)C)CC3)cc1,1,0,0,0
CCc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3ccc(F)cc3)C2)cc1,1,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(C(F)(F)F)cc3)cs2)n1)C(=O)O,0,0,0,0
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(OCCCN(CCn3ccc4oc(C)cc4c3=O)Cc3cnccc3C)ccc21,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)c(Cl)c3F)C2)nc(C)c1F,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)c1cccc(C)c1,0,0,0,0
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3ccccc3)cc2F)CC1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc(F)c(F)c(F)c3)cs2)cc1,0,0,0,0
COc1cc(/C=N/NS(=O)(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)cc1,0,1,0,0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OC4OC(CO)C(O)C(O)C4O)cc3)nc21,0,0,0,1
COc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21,0,0,0,0
COc1cc(C(=O)OC(C)CN2CCCC2)cc(OC)c1OC,0,0,0,0
Oc1ccc2c3c1OC1[C@H](OCc4c5ccccc5cc5ccccc45)CCC4(O)C(C2)N(CC2CC2)CCC314,0,0,0,0
CCOC(=O)[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1,0,0,0,0
O=C1c2ccccc2C(=O)N1CCOc1ccccc1Cl,0,0,0,0
c1ccc(-c2[nH]c3ccccc3c2C2CCNCC2)cc1,0,0,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2F)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
COc1cccc(CNc2ccc(S(=O)(=O)Nc3cccc4ccncc34)cc2)c1O,0,0,0,0
COc1cccc2sc(C3C[C@H]4CC[C@@H](C3)N4C[C@H](O)COc3cccc4[nH]c(C(N)=O)cc34)cc12,0,0,0,0
Cc1ccccc1C(=O)N/N=C/c1ccccn1,0,1,0,0
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2)cc1,1,0,0,0
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNCC2,0,0,0,0
COc1ccc(OC2C(=O)N(CCc3ccc(OC)c(OC)c3)C2c2ccc3c(c2)OCO3)cc1,1,0,0,0
CC(C)S(=O)(=O)C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
O=c1nc(SCc2ccc(Cl)cc2)[nH]c(-c2ccccc2)n1,0,0,0,0
CC(C)C(=O)Nc1nnc(Cc2ccccc2)s1,0,0,0,0
CCN1C(=O)N(C)C(c2ccccc2)C(C(=O)OC)=C1C,0,0,0,0
O=C(c1ccccc1)C(CCC(CN1CCOCC1)C(=O)c1ccccc1)CN1CCOCC1,1,0,0,0
COc1ccc(S(=O)(=O)N/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(NS(C)(=O)=O)c2)c1,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CCOC2Cn2cc(-c3ccc(F)cn3)cn2)c1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](CO)CO3)C1=O,0,0,0,0
BrC(c1cccc2ccccc12)c1cccc2ccccc12,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(Cl)cc5Cl)cc4=O)nc31)CNCC2,0,0,0,0
CC(=O)Nc1nc2ccc(-c3ccnc(NCc4ccccc4)n3)cc2s1,0,0,0,0
COc1ccc(C(O)P(=O)(OC(C)C)c2ccc(N(C)C)cc2)c(OC)c1,0,0,0,0
Cc1nnc2c(Nc3cccc(O)c3)nc3ccccc3n12,0,0,0,0
CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)CC)c2O1,0,0,0,0
Cc1ccc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)cc1,0,0,0,0
CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccccc1SCC(=O)N1CCCC1,1,0,0,0
Cc1ccc(C2=NCCn3nc4cc(C(F)(F)F)ccc4c32)cc1,1,0,0,0
CCCCCCCCCN1C(=O)C=CC1=O,0,0,1,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]n2c1nc1ccc(N)cc12,0,0,0,0
O=C1C=C(c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1,0,0,0,0
CCCC1CCc2c(sc(N)c2C(N)=O)C1,1,0,0,0
CCC(COC)NCc1cn(-c2ccc(F)cc2F)nc1-c1ccccc1C,0,0,0,0
CCOC(=O)Cc1csc(/N=C/c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1,0,0,0,0
CCCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O,0,0,0,0
CNC(=O)C(=O)N1CCN(c2ccc(Nc3nc(NC4CCCCC4)c4[nH]cnc4n3)c(OC)c2)CC1,0,0,0,0
Cc1ccc(C(=O)N2N=C(c3ccccc3)CC2(O)C(F)(F)F)o1,0,0,0,0
O=C(CCCCC[C@H](NC(=O)[C@@H]1CC(=O)N1)C(=O)Nc1ccccc1)NO,0,0,0,1
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(C#N)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
O=C(O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,0,0,0,0
Cc1cccc(C)c1NC(=O)C1CC(=O)N(C(C)C)C1,0,0,0,0
COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)cc1,1,0,0,0
COc1cccc(-c2c(C)n(Cc3c(F)cccc3C(F)(F)F)c(=O)n(C[C@H](C)NC3CCCC3)c2=O)c1,0,0,0,0
Nc1nc2nc(Cc3ccsc3)[nH]c2c(=O)[nH]1,0,0,0,0
Oc1ccccc1CNCCNCc1ccccc1O,0,0,0,0
CCCCn1cccc(Oc2nc3ccccc3o2)c1=S,0,0,0,0
O=C1Nc2cccc3c2C1(CCCCN1CCN(c2ccccn2)CC1)CCC3,0,0,0,0
Cc1cc(C)nc(-n2nc(C)cc2NC(=O)C(C)C)n1,0,0,0,0
COc1ccc(NC(=S)NCc2ccc3c(c2)cc(C)n3C)cc1,1,0,0,0
Cc1cc(-c2onc3ccc(Cl)cc23)ccc1O,0,0,0,0
CC(C)(C)OC(=O)NC1[C@H]2CN(CCCNc3c4c(nc5ccccc35)CCCCC4)C[C@@H]12,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(C(=O)OC2CCOC2)CC1,0,0,0,0
O=c1ccc(=O)[nH][nH]1,0,0,0,0
COc1ccc(/N=C2\SC(CC(=O)Nc3ccccc3)C(=O)N2CC2CCCO2)cc1,1,0,0,0
C[C@@H]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cc(C(F)(F)F)c1,0,0,0,0
Clc1cnccc1COc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1,0,0,0,0
C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1ccc(Cl)cc1)Oc1ccccc1-3,0,0,0,0
COc1ccc(C2=NCC(CSc3nnnn3C)S2)cc1,0,0,0,0
Cc1ccc(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OCC4CCCO4)cc32)cc1,0,0,0,0
CNC(=S)NNC(=O)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1,0,0,0,0
CC(=O)Nc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1,0,0,0,0
O=C(O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0,0,1
CCN1CCN(CC#CC(=O)Nc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)CC1,0,0,1,0
CN(C)CCCn1c(=S)[nH]c2ccc(F)cc2c1=O,0,0,0,0
Clc1ccc(OCCNCCCOc2ccccc2)cc1,0,0,0,0
Nc1nc(-c2ccc(P(=O)(O)O)o2)c(Br)s1,0,0,0,0
OC[C@@H]1O[C@H](c2cc(Cc3cc4ccccc4s3)c(Cl)c3c2OCCO3)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(C(C)C)cc1,1,0,0,0
O=S(=O)(c1ccccc1)N1CCC(n2cnc3cnc4[nH]ccc4c32)CC1,0,0,0,0
CCOC(=O)C1=C(C)NC(=Cc2ccc(O)c(OCC)c2)C1=O,0,0,0,0
Cc1nc2c3ccccc3nc(SCc3cn4cccnc4n3)n2n1,0,0,0,0
O=C(O)CC1S/C(=N/N=C/C=C/c2ccccc2)NC1=O,0,1,0,0
O=C1N(Cc2cccc(Cl)c2)CC2CC(c3ccc4nonc4c3)N3CCCC123,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C[C@@H]4CCCO4)n3)C2)cc1,0,0,0,0
CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4N(C=O)CCC(C)(C)C)C3CC[C@@H]12,0,0,0,0
CS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1[N+](=O)[O-],0,0,0,0
Cc1cccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)c1,0,0,0,0
CCC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,0,0,0,0
N#C[C@H](Cc1ccc(-c2ccc3c(c2)COC(=O)N3)cc1)NC(=O)[C@H]1N[C@@H]2CC[C@H]1C2,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3)cc2)CCOCC1,0,0,0,1
CN(C)Cc1ccc2[nH]c(=O)c3c(c2c1)NCCC3,0,0,0,0
Cc1c(-c2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)cccc1N1CCOc2cc(C3CC3)ccc2C1=O,0,0,0,0
COc1cccc(NC(=S)Nc2cccc3ccccc23)c1,0,0,0,0
C/C(=N\NC(=S)Nc1ccc(C)cc1)c1cccc(N)c1,0,0,0,0
CC1=NOC(=O)/C1=C\c1ccc(-c2cccc(Cl)c2)o1,0,1,0,0
CCOC1OC(C(=O)Nc2ccccc2)=CC(c2ccc3c(c2)OCO3)C1CCCO,1,0,0,0
Cc1ccc2[nH]c(=O)c(-c3nc4c(C)cccn4c3NCc3ccco3)cc2c1,0,0,0,0
COCCC1CCCCN1C(=O)c1cc(COc2ccc(C)nc2)on1,0,0,0,0
O=C(OCC(=O)N1CCCCCC1)c1ccccc1Br,0,1,0,0
Cn1c(=O)cc(NCCc2ccccc2)[nH]c1=O,0,0,0,0
CNCCN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
COCCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,0,0,0,0
CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)C1,0,0,0,0
CCCS(=O)(=O)c1cnc(CN)s1,0,0,1,0
COCCn1c(=O)c(-c2cc(F)cc(F)c2)nc2cnc(Nc3cccc(OC)c3)nc21,0,0,0,0
COC(=O)c1c(C)cc2c(c1O)[C@@]1(O)C(=O)c3cc4c(c(O)c3C(=O)[C@]1(OC)[C@H](O)C2)C(=O)C=C(NC1O[C@H](C)[C@@H](OC)[C@H](O)[C@@H]1OC)C4=O,0,0,0,0
O=C(OCc1ccccc1)c1c(Cc2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc12,0,0,0,0
CC(C)NC(=O)CCCN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
COC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O,0,0,0,0
Cc1nc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1,0,0,0,0
CC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1ccccc1C(F)(F)F,1,0,0,0
Cc1ccc(-c2nn3c(-c4ccccc4)nnc3c3ccccc23)cc1,0,0,0,0
Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCNCC1,0,0,0,0
COc1cccc(-c2cc(C(N)=O)c3[nH]c4cccnc4c3c2)c1,0,0,0,0
COc1cccc(C(=O)N2CCN(c3ncccn3)CC2)c1,0,0,0,0
O=C(NCC1CCCO1)C(c1ccncc1)N(Cc1cccs1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O,1,1,0,0
CN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1,0,0,0,0
CN1CCC(N(C)CC(C)(C)NS(=O)(=O)c2ccccc2)CC1,0,0,0,0
Nc1nnc(CCC2CCCCC2)s1,0,0,0,0
COCCNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
CCc1c(C(=O)NNC(=O)Nc2ccc3c(c2)OCO3)csc1C,1,0,0,0
Cc1ccc(OCCCCn2ccnc2)c(Cl)c1,0,0,0,0
COc1cc(C)c(C(=O)OC2C(CO)OC(n3ccc(=O)[nH]c3=O)C2O)c(OC)c1,0,0,0,0
CCCc1ccc(OCc2ccc(C(=O)N/N=C/c3cccc([N+](=O)[O-])c3)o2)c(OC)c1,1,0,0,0
Cc1nn2cnnc2c(C)c1Cc1ccc(Cl)cc1,0,0,0,0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)c3ccccc3)c2)n1C,0,0,0,0
O=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1cccs1,0,0,0,0
CCOC(=O)c1csc(N)n1.Cl,0,1,0,0
COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc3c(c2)OCO3)cc1,0,0,0,0
C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc(F)c4)CC3)cc2C1=O,1,0,0,0
Cc1ccccc1S(=O)(=O)/N=C(/c1ccccc1)N1CCOCC1,0,0,0,0
COc1c(Cl)cc(-c2noc(C)c2C(=O)NC(C)C)cc1Cl,0,0,0,0
Oc1ccc(C(c2ccc(O)c(Br)c2)n2cncn2)cc1Br,0,0,0,0
Cc1nc(N)nc(-c2cc(CN3CCN(C(=O)N(C)C)CC3)cnc2Nc2c[nH]c(=O)c(F)c2)n1,0,0,0,0
COC(=O)CC1(CC(=O)OC)C(=O)NC(=O)NC1=O,0,0,0,0
CC(CN1CCCC1)OC(=O)c1ccc(Cl)cc1Cl,0,0,0,0
O=c1[nH]c(Cc2ccccc2-c2cccc(OC3CCC3)n2)nc2c1cnn2C1CCOCC1,0,0,0,0
O=C(Nc1cnccn1)N1CCN(c2nc(-c3ccccc3)ns2)CC1,0,0,1,0
COc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3ccc(F)cc3)CC2)cc1,1,0,0,0
CCc1cc2c(=O)nc(-c3ccncc3)[nH]c2s1,0,0,0,0
O=C1NCc2cccc(-c3cc4cc(OCCN5CCCCC5)ccc4[nH]3)c21,0,0,0,0
O=c1c2ccccc2sn1CCCCCCN1CCCCC1,0,0,1,0
NC(=O)n1ccc2ccc(-c3ccccc3)nc21,0,0,0,0
CCc1ccc(-n2cc(-c3ccc(F)cc3)[n+]3c2SCCC3)cc1,0,0,0,0
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H]3[C@@H]4CC[C@@H](C4)[C@H]3C/C=C\CCCC(=O)O)cc2)cc1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCCN(C(C)=O)C1,0,0,0,0
CCCS(=O)(=O)c1ncc(Cl)c(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)n1,1,0,0,0
Cn1c(=O)n(Cc2ccc(F)c(C(=O)O)c2)c(=O)c2c1nc(N1CCC[C@@H](N)C1)n2Cc1ccccc1Cl,0,0,0,0
COc1ccc(C=NN=C2SC(CC(=O)O)C(=O)N2c2ccccc2)cc1,0,0,0,0
C#CC(C)(C)N1CCN(c2cc3c(cc2C(C)=O)C(=O)c2c([nH]c4cc(C#N)ccc24)C3(C)C)CC1,0,0,0,0
COc1ccccc1C(O)P(=O)(OC(C)C)c1ccc(N(C)C)cc1,1,0,0,0
Cc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1,1,0,0,0
CCOc1ccc(Br)cc1CNCc1cccnc1,0,0,0,0
Cc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs1,0,0,0,0
CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccc[nH]2)C(=O)O)cc1,0,0,0,0
Nc1cc(=O)nc(SCc2nnc(-c3ccccc3)o2)[nH]1,0,0,0,0
CC(=O)Nc1nc(C)c(S(N)(=O)=O)s1,0,0,0,0
Cc1ccc([C@H](C)Nc2cc(-c3ccc4occ(C)c4c3)nc(C)n2)cc1,0,0,0,0
CCC(C)c1c(O)[nH]c(SCc2ccccc2)nc1=O,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1cc(C)c(OC)cc1C)NC2,1,0,0,0
CC(C)C1(c2cc(Br)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O,0,0,0,0
C=CCn1c(-c2ccccc2OC)n[nH]c1=S,0,0,0,0
CC(=O)N(CCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1)C(C)=O,0,0,0,0
O=C(NCCCN1CCOCC1)c1ccc(Sc2cccc(Cl)c2)c([N+](=O)[O-])c1,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCC(N4CCN(C5CCN(C)CC5)CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCCN1C(=O)C(=O)N(CC(=O)N2N=C3/C(=C/c4ccco4)CCCC3C2c2ccco2)C1=O,0,0,0,0
CC(=O)N1CCOc2ccc(S(=O)(=O)NCc3ccc(C)cc3)cc21,0,0,0,0
Cc1cc(CC(=O)O)c2oc(-c3ccoc3)cc(=O)c2c1,0,0,0,1
Cn1c2c(c(=O)n(C)c1=O)C1c3cc(Cl)ccc3OCC1CO2,0,0,0,0
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(N)=O,0,0,0,0
Clc1ccc2nc(CSc3nnc[nH]3)cn2c1,0,0,0,0
CCOC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,0,0,1,0
N=C(N)c1cccc(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4ccccc4)cc3)C2=O)c1,0,0,0,0
CCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3F)cc12,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2OC)cc1OC,1,0,0,0
Cc1[nH]c2ccccc2c1C=C(C#N)S(=O)(=O)c1ccccc1,0,0,0,0
CC(C)NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O,0,0,0,0
O=C(O)CC/C=C\CC[C@H]1[C@@H](OCc2ccc(-c3ccccc3)cc2)CO[C@@H]1c1cccnc1,0,0,0,0
Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)N(CC(F)(F)F)C(=O)CC2(C)C,0,0,0,0
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12,0,0,0,0
COc1ccc(NC2=NC(=S)N(c3ccc(C)cc3)C23CCCCC3)cc1,0,0,0,0
CCOc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1,0,1,0,0
COc1cc(Cl)c(N=C2C=C(O)C(=O)c3ccccc32)c(OC)c1,0,0,0,0
CCN(CC)CCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0,0,0
Cc1cc2c(cc1-n1c(C(F)(F)F)nc3cc(C(=O)O)ccc31)C(C)(C)CCC2(C)C,0,0,0,0
CCOC(=O)c1ccc(C(=S)N2CCCC2)cc1,0,0,0,0
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,0,0,0,0
O=[N+]([O-])c1cccc(Cl)c1N1CCOCC1,0,0,0,0
COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1,0,0,0,0
NC(=NCCc1ccccc1)NS(=O)(=O)c1ccccc1F,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(Cl)c3)CC4)cn2)CC1,0,0,0,0
CC(=O)Nc1cncc(-c2ccccc2O[C@H]2C[C@@H]3CNC[C@H]2C3)c1,0,0,0,1
CCN=c1scc(-c2ccco2)n1/N=C/c1ccc(OC)c(O)c1,0,1,0,0
CC(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
COc1ccccc1OCc1nc(C#N)c(NCc2ccco2)o1,0,0,0,0
O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NCc1ccccc1Cl,1,0,0,0
COc1ccc(C2CC(c3ccccc3)=NN2c2ccccc2)c(C(=O)O)c1OC,0,0,0,0
Nc1cc2sc(N3CCC(N4CCCCC4)CC3)nc2cn1,0,0,0,0
C/C(=N\Nc1cc(C)nc(NCc2ccccc2)n1)c1cccc([N+](=O)[O-])c1,0,1,0,0
CC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)cc12,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(F)c2oc3c(c2c1)CNCC3,0,0,0,0
N=C(N)c1cccc([C@@H]2CN(Cc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C[C@H]2C(=O)O)c1,0,0,0,0
CC(Oc1cc(-c2cc(-c3cccc(CN(C)C)c3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F,0,0,0,0
C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)c(OC)c2)c(O)c1,0,0,0,0
OCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CC(=O)Nc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
O=C(O)COc1ccc(F)c(NCc2cc(O)cc(-c3cccc(F)c3)c2)c1F,0,0,0,0
CCC(=O)N(c1ccccc1)C1CCN(CCC(c2ccccc2)c2ccccc2)CC1,0,0,0,0
COc1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(C)CC(=O)N32)cc1OC,1,0,0,0
C=CCN(c1ccccc1Cl)S(=O)(=O)c1cccc(C(=O)OCC(=O)N(C)C2CCS(=O)(=O)C2)c1,1,0,0,0
CO[C@@](C)(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,0,0,0,0
CNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12,0,0,0,0
CCCCOc1c(C(=O)c2c(F)cc(C)cc2F)cnc2n[nH]cc12,0,0,0,1
CC(C)C(=O)Nc1ccc(-c2csc(-c3ccccc3)n2)cc1,1,0,0,0
Cc1cc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(F)cn3)nn(C)c2=O)n(C)n1,0,0,0,0
O=c1cc(-c2ccccc2)[nH]n2cnnc12,0,0,0,0
CC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@@H](C)C(=O)N[C@H](C)C(F)(F)F)c12,0,0,0,0
O=[N+]([O-])c1cnc(Sc2ccncn2)s1,0,0,0,0
CC1Cn2c(nnc2-c2ccccc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl,0,0,0,0
Cc1cc(=O)oc2cc(OCC(=O)N3CCN(C(C)c4ccccc4)CC3)c(Cl)cc12,1,0,0,0
NS(=O)(=O)c1cc(F)ccc1NS(=O)(=O)/C=C/c1ccc(-c2ccccc2)cc1,0,0,0,0
COc1ccc(-n2ncc(C(C)NS(=O)(=O)c3cccs3)c2C)cc1,0,0,0,0
O=C1C[C@H](C(=O)Nc2cc(-c3cccc(C4CC4)c3)n(-c3ccccc3)n2)CN1,0,0,0,0
Cc1ccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)nc1,0,0,0,0
CSCCC(NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NCCc1ccccn1,0,0,1,0
COc1cc(CNCc2ccccn2)ccc1OCc1c(Cl)cccc1Cl,0,0,0,0
COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)ccnc2cc1OCCN(CCO)CCO,0,0,0,0
O=C(O)C[C@@](O)(C[C@H](O)CCCCCC1c2ccccc2-c2cc(Cl)ccc21)C(=O)O,0,0,0,0
NC(N)=NCCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,0,0,0,1
CCn1c(SCc2cccc(OC)c2)nnc1-c1ccco1,0,0,0,0
O=c1c2cccnc2n(Cc2ccc(Cl)cc2)c(=O)n1Cc1ccc(F)cc1,0,0,0,0
COC(=O)CSc1nnc(-c2ccc(S(=O)(=O)NCc3cccs3)cc2)o1,0,0,0,0
O=C(N/N=C/c1ccccn1)c1ccc(Br)cc1,0,1,0,0
c1coc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)c1,0,0,0,0
CS(=O)(=O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)c1,0,0,0,0
CCOC1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=CC(c2ccccc2)C1CCCO,1,0,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCC(C)(C)C3)cc2)c2ccc(O)cc12,0,0,0,0
O=C1C[C@H](NC(=O)[C@@H]2CCc3nc4cc(-c5cccc(Cl)c5)[nH]c4c(=O)n32)C(O)O1,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1)N1CCCC1,0,0,0,0
COc1ccc(-n2cnc3c(sc4ncnc(NC5CCC5)c43)c2=O)cc1,0,0,0,0
COc1cc(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)cc(-c2ccc(C(=O)O)cc2C)c1,0,0,0,0
COc1cc(NC(=O)CC(C)=NNC(=O)C2CCCCC2)c(OC)cc1Cl,1,0,0,0
CNC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
Cc1ccc(N2CC(C(=O)N3CCC(C(=O)Nc4nnc(C(C)(C)C)s4)CC3)CC2=O)cc1,1,0,0,0
CCN1CCN(c2cc3nc(SC(C)(C)C)[nH]c3cc2Cl)[C@H](C)C1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCCCCC3)n2)cc1,0,0,0,0
CCOC(=O)C(=CNc1ccc(NC2=NCC(C)(C)S2)cc1)C(=O)OCC,0,0,0,0
CCOC(=O)c1cc(-c2ccc(OC)cc2OC)nn1-c1ccc(C(=O)O)cc1,0,0,0,0
CC1=CC(=CN(C)c2ccccc2)C(=O)S1,1,0,0,0
Cc1c(CCC(=O)NCc2cccc(Cl)c2)c(=O)oc2c(C)c(O)ccc12,1,0,0,0
CCOC(=O)N1CCC(N2CCN(Cc3ccccc3)C(CCO)C2)CC1,0,0,0,0
COc1ccc(Cc2nc3ccc(C(=O)N4CCCCC4CO)cc3o2)cc1OC,0,0,0,0
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)NCC12CC3CC(CC(C3)C1)C2,1,0,0,0
CCn1cc(C=C(NC(=O)c2ccccc2OC)C(=O)NCCCn2ccnc2)c2ccccc21,1,0,0,0
COC(=O)c1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1,0,0,0,0
Cc1c(Oc2ccc(C#N)cc2F)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C,0,0,0,0
CC(C)(C)C1Cc2[nH]c(=O)c3ccccc3c2CO1,0,0,0,0
Cc1ccc2c(c1)-c1c(ccn1CC(C)N)C2(C)C,0,0,0,0
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4cccc(S(=O)(=O)O)c4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O,0,0,0,0
CCc1nnc2cccc(Cl)n12,0,0,0,0
CCCn1ccc2cc(-c3ccc(OCCc4ccccc4)nc3)cc(Cl)c2c1=O,0,0,0,0
COC(=O)Nc1nc2cc([S+]([O-])c3ccccc3)ccc2[nH]1,0,0,1,0
COc1ccc(C)cc1NC(=O)C(OC(=O)c1ccc([N+](=O)[O-])o1)c1ccccc1,1,0,0,0
Brc1cccc(Nc2ncnc3ccncc23)c1NCCN1CCOCC1,0,0,0,0
Cc1cccc(NC(=O)c2cnc3sccn3c2=O)c1,0,1,0,0
Cc1cccc(NC(=S)NN=C(c2ccccc2)C(C)C)c1,1,0,0,0
CC(C)C(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
CC(=O)c1ccc(N2CCCC2)c(F)c1,0,0,0,0
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C#N)c1C,1,0,0,0
COC(=O)c1ccc(-c2ccc(C3C4C=CCC(C)C4C(=O)N3Cc3ccccc3)c(F)c2)cc1,0,0,0,0
COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(OC)nc32)cc1,0,0,0,0
COCCNS(=O)(=O)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1,1,0,0,0
Cc1ccc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc1F,0,0,0,0
Nc1[nH]c(=S)[nH]c(=O)c1-c1ccccc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N4CCOCC4)c3F)C2)cc1,0,0,0,0
CCOC/C=C/c1ccc(-c2nc(-c3ccc(N(CC)CC)cc3)c(-c3ccc(N(CC)CC)cc3)[nH]2)cc1,0,0,0,0
Cn1cc(-c2cc(S(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O,0,0,0,0
C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccccc2OC)c(O)c1,0,0,0,0
C[C@@H](O[C@H]1CC[C@@H](NC[C@@H]2CCC(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
COc1cccc(C(Nc2ccccn2)c2c(C)[nH]c3ccccc23)c1,0,0,1,0
COc1ccc(OC)c(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)c1,1,0,0,0
CCC(C)Sc1cc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)cn1,1,0,0,0
Cc1cc(C)nc(-n2nc(C)c3c2N(Cc2ccccc2C)C(=O)CC3c2ccc(Cl)cc2)n1,1,0,0,0
CC(/C=N\NC(=O)c1ccc(C)nc1)=C\c1ccccc1,0,1,0,0
Cn1cc(-c2ccc3[nH]c(=O)c(-c4cc5cc(CN6CCCCC6)ccc5[nH]4)cc3c2)cn1,0,0,0,0
COc1cccc2cc(OC)c(OC)c(=O)c-2c1O,0,0,0,0
O=C(O)c1cc2ccccc2cc1Nc1ccnc(Nc2cccc(O)c2)n1,0,0,0,0
CC(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCCN(CC#CC(O)(c1ccccc1)c1cccnc1)CCC,1,0,0,0
CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
COc1ccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4OC)nn23)c(OC)c1,0,0,0,0
C=CCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12,0,0,0,0
CC(C)(C)C(=O)N1CCCn2nc(COc3ccccc3)cc21,0,0,0,0
COCCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccc(C(=O)O)cc5OC)nc3-4)cc2)cn1,0,0,0,0
c1ccc(COc2ccc(OCCCN3CCCCC3)cc2)cc1,0,0,0,0
c1ccc2c(c1)[nH]c1ccnc(NCC3CCCO3)c12,0,0,0,0
CC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)cc3)cnc2N)nn1,0,0,0,0
CC(C)CCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2(C)C)C1=O,0,0,0,0
O=C(/C=C/c1ccc(CN(CCc2c[nH]c3ccccc23)C2CCOCC2)cc1)NO,0,0,0,1
COC(=O)COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O,0,1,0,0
Oc1ccccc1-c1cc(Nc2ccc3[nH]ncc3c2)nc(N2CCOCC2)n1,0,0,0,0
COc1ccccc1C=C1C(=O)ON=C1C,0,0,0,0
Cc1ccc(/C=N\NC(=O)/C(=C\Nc2nccc(C)n2)NC(=O)c2ccccc2)cc1,0,1,0,0
COc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C#N)cc2c1,1,0,0,0
CCN1C(=O)NC(c2cc(Br)ccc2OC)C(C(=O)OC)=C1C,0,0,0,0
O=C1CCCCCCC1Sc1ccccc1[N+](=O)[O-],0,0,0,0
COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)ccc2C)cc1,0,0,0,0
CN1C(=O)C(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N(C)C1=O,0,0,0,0
COc1cc(C=C(C#N)C(=O)NCC2CCCO2)ccc1OCCC(C)C,1,0,0,0
Cc1cc2c(cc1-c1cc(C(=O)O)no1)C(C)(C)CCC2(C)C,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccsc2)c1C,0,0,0,0
Cc1cc(OCc2nc(-c3ccc(N4CCOCC4)nc3)c(-c3ccc(OC(F)(F)F)cc3)s2)ccc1OCC(=O)O,0,0,0,0
COc1ccc(S(=O)(=O)/N=C2/C=CC(=O)C(C)=C2C)cc1,0,0,0,0
C1=CC2c3c(ccc4ccccc34)NC(c3ccccc3)C2C1,1,0,0,0
COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)cc1OC,1,0,0,0
CNc1nc(-n2cccn2)nc(N)c1Br,0,0,0,0
C[C@@H](NC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)cc1)C(=O)OC(C)(C)C,0,0,0,0
COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NCCc3ccccc3)CC2)c(OC)c1,0,0,0,0
O=C(O)c1ccccc1Nc1ccnc(OCC2CCCCC2)n1,0,0,0,0
COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3cccc(Cl)c3)c(C)n2n1,1,0,0,0
COn1c(NC(c2ccc(Cl)cc2)C(C)C)nc2c(c1=O)CN(C(=O)c1cc3ccccc3cn1)CC2,0,0,0,0
COCC1CN(C(=S)SSC(=S)N2CCCOC(COC)C2)CCCO1,0,0,1,0
CCN(CC)c1nc(N)c2c(N)n(-c3ccccc3C)c(=S)c(C#N)c2c1C#N,0,0,0,1
COc1ccccc1CN(C)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1,0,0,0,0
Cc1ccc(C(=O)NO)cc1NC1CCCCC1,0,0,0,0
Cc1c(Br)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
Cc1cc(S(=O)(=O)N2C=CNC(=O)[C@H]2CC(=O)N2CCC[C@H](N3CCCC3)C2)c(C)cc1Cl,0,0,0,0
CCc1ccc2c(c1)C1(C(=O)N2)C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21,1,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)c(C)s2)n1)C(=O)O,0,0,0,0
COc1cc2c(cc1OCC(O)CO)ncc1c2c(-c2ccc(C#N)cc2)nn1C,0,0,0,0
Cc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(O)nc3c2)cc1C,1,0,0,0
O=c1c2c(nc3cc(-c4ccc(Br)cc4)[nH]n13)CCCC2,0,0,0,0
CCCCCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1,0,0,0,0
CCN(CC)c1ccc(C2C(C(N)=O)=C(C)N=C3NC(SCc4ccccc4)=NN32)cc1,1,0,0,0
CCCC1(C(=O)O)NC(c2ccccc2O)C2C(=O)N(c3cccc(Cl)c3)C(=O)C21,1,0,0,0
NC1CCN(C(=O)c2cccc(-c3n[nH]c4cnc(-c5cccnc5)cc34)n2)CC1,0,0,0,0
CCOC(=O)C1(CCOc2ccccc2)CCN(Cc2ccc(C)o2)CC1,1,0,0,0
COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COC(=O)c1cc(C)sc1NC(=S)N1CCN(CCc2ccccc2)CC1,0,0,0,0
COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2c1,1,0,0,0
COCCCC1CCN(C(=O)c2cc(COc3ccc(C)nc3)on2)CC1,1,0,0,0
CCc1ccccc1-c1nc2c(N3CCN(C)CC3)nc(C)nc2n1C1CCOCC1,0,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc(-c3c(C)c(CC(=O)O)cc4ccc(F)cc34)cc2)cc1,0,0,0,0
Cc1cc2c(N)nc(N)nc2cc1-c1ccc(S(C)(=O)=O)cc1,0,0,0,0
COC(=O)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1,0,0,0,0
CN(C)c1ccc(P(=O)(OC2CCCCC2)C(O)c2ccncc2)cc1,0,0,0,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc4[nH]ncc4c3)cn2CCN2CCC2)CC1,0,0,0,0
Cc1c(Nc2nc3ccccc3n3cnnc23)cccc1[N+](=O)[O-],0,0,0,0
CC(C)CC1C(=O)N(Cc2cn(CC3CCCCC3)nn2)CCS(=O)(=O)N1Cc1ccc(-c2ccc(F)nc2)cc1,0,0,0,0
Cc1cccc(OCC(=O)NNC(=O)Nc2cccc(Cl)c2)c1C,1,0,0,0
CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccccc2)c2ccc(F)cc2)CC1,1,0,0,0
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]c(Br)cc23)c1,0,0,0,0
CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(OC(F)(F)F)cc2)c2ccccc21,0,0,0,0
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N2CCC2)cc1,0,0,0,0
O=C(Nc1ccc(C(=O)OCC2CCCN3CCCCC23)cc1)c1cccc(Br)c1,1,0,0,0
Cc1ccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1,1,0,0,0
CS(=O)(=O)N1CCN(Cc2cc3nc(-c4c(F)ccc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
Cc1ccc(C2(c3noc(CN(C)Cc4ccccn4)n3)CCCC2)cc1,1,0,0,0
CN(Cc1ccc2nonc2c1)Cc1nc(Cc2cccc(F)c2)no1,1,0,0,0
CC(C)(C)OC(=O)N1CCN(c2ccc(OCc3ccc(S(C)(=O)=O)cc3)nc2)CC1,0,0,0,0
COc1cc(C)c2[nH]c(=O)c3sccc3c2c1-c1ccc(C2(CN)CC2)cc1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(CCO)cc2)S1)c1ccc(F)cc1,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F,0,0,0,0
Nc1nc2c(cnn2CCN2CCc3ccc([N+](=O)[O-])cc3CC2)c2nc(-c3ccco3)nn12,0,0,0,0
O=[N+]([O-])c1cccc2c1CN(c1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)CC2,0,0,0,0
NS(=O)(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)CCC3)cc1,0,0,0,0
CCCSc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(CC)C3,0,0,0,0
CC(C)CC(CC(=O)NC(CCCN)CC(=O)NC1CCCCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)NC(=O)C1CNCCC1N,1,0,0,0
COc1cc(Br)cc(CN2CCN(CC=Cc3ccccc3)CC2)c1O,1,0,0,0
CS(=O)(=O)Nc1cncc(-c2ccccc2O[C@@H]2C[C@H]3CNC[C@@H]2C3)c1,0,0,0,0
CCOC(=O)C(C)Sc1nc(-c2cccs2)ccc1C#N,0,0,0,0
COc1ccc(CC(=O)Nc2ccc(-c3noc(-c4ccc(Cl)cc4)n3)cc2)cc1,1,0,0,0
CC1CCC(C(C)C)C(OP(=O)(c2ccccc2)C(O)c2ccncc2)C1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
Clc1ccc(-c2nnc3ccccn23)cc1,0,0,0,0
CCCS(=O)(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,0,0,0,0
C[C@@H]1CCCN1CCCOc1ccc(C2=NN(C)C(=O)C3CCCC23)cc1,0,0,0,0
CCCCn1c(NC(=O)c2ccc(Br)o2)c(C(=O)OCC)c2nc3ccccc3nc21,1,0,0,1
Cc1ccc(CC2CC(=O)N(CC(=O)O)C2=O)cc1,0,0,0,0
CCCC1(c2ccc(F)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
Cc1cc(C)cc(COCC(N)C2c3ccccc3CCc3ccccc32)c1,0,0,0,0
O=C1CCC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccc(F)cc1,0,0,0,0
COc1cnc2[nH]cc(Cc3ccc(NCc4cccnc4OC)nc3F)c2c1,0,0,0,0
COc1cccc(-c2cnc(Nc3ccccc3)c3[nH]nc(N)c23)c1,0,0,0,0
O=C(N/N=C/c1ccco1)c1ccccn1,0,1,0,0
CCCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,0,0,0,0
COc1ccc(-n2c(C)nnc2-c2ccc(-c3ccccc3OC)cc2)cc1,0,0,0,0
Cc1ccc(-c2nc3c(sc4ccccc43)c(=O)[nH]2)cc1,0,0,0,0
Cc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CC(C)N=c1scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1,0,1,0,0
CCN(CC)CCNc1ccc(CNC=O)c2sc3ccc(OC)cc3c(=O)c12,0,0,0,0
COc1ccc(CNc2cc(C)cc(C)c2)cc1OC,0,0,0,0
CCCCn1c(Oc2cccc(C(=O)OC)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1cc(C(=O)Nc2sc3c(c2C#N)CCC(C)C3)cs1,1,0,0,0
CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC1,1,0,0,0
CNc1ncc2c(n1)CC(CN1CCC(c3noc4cc(F)ccc34)CC1)CC2=O,0,0,0,0
O=C(Cc1c(O)c2ccccc2oc1=O)c1ccc(F)cc1,0,1,0,0
CCCCC1(CCOC(N)=O)C(=O)NC(=O)NC1=O,0,0,0,0
CC(C)C(NC(=O)Cn1ccc2c(=O)n(Cc3ccccc3)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,0,0,0,0
O=C(Oc1ccc(Cl)c2cccnc12)c1ccco1,0,0,0,0
CC(=NNC(=S)N1CCCC1)c1ccccn1,0,0,0,0
CC[C@@H]1OC(=O)[C@@H](C)[C@H](O[C@@H]2C[C@](C)(OC)[C@H](O)[C@@H](C)O2)[C@@H](C)[C@H](O[C@H]2O[C@@H](C)C[C@@H](N(C)C(=O)N3CCOCC3)[C@@H]2O)[C@@](C)(OC)C[C@H](C)C(=O)[C@@H](C)[C@@H]2N(CCCOc3cc(C(=O)Nc4c(Cl)cncc4Cl)ccc3OC)C(=O)O[C@@]12C,0,0,0,0
O=c1c2sc3ccccc3c2n(Cc2ccccc2F)c(=O)n1-c1ccccc1Cl,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C(N)=O)cc1OC,0,1,0,0
CC1=NN(CCC#N)C(=O)/C1=C/c1ccc(N(C)C)cc1,0,1,0,0
Cc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1,0,0,0,0
CNC(=O)[C@@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(C)(C)C,0,0,0,0
CC(C)Cn1c(-c2ccco2)n[nH]c1=S,0,0,0,0
O=C(NCC1CCCCC1)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,1,0,0,0
O=C(O)C(Oc1ccc2ccc(=O)oc2c1)c1ccccc1,0,0,0,0
Cl.c1ccc2c(c1)oc1c(NCC3CCCO3)ncnc12,0,1,0,0
O=C(c1ccc2nc[nH]c2c1)N1CCC[C@H]2c3cc4ocnc4cc3C[C@H]21,0,0,0,0
Cc1ccc(OCc2noc(COc3cccc(C(C)Nc4cc(-c5ccc6ncsc6c5)nc(C)n4)c3)n2)cc1,0,0,0,0
CC1=C(C(=O)OC(C)C)C(c2ccc(F)cc2)NC(=O)N1,0,0,0,0
Cc1cc(-c2c(F)cc3c4nn(C5CCC(N)CC5)c(=O)c-4cn(C4CC4)c3c2F)cc(C)n1,0,0,0,0
COC(=O)NC1CCN(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1,0,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CCCC5)c(OC)c4)nn32)CC1,0,0,1,0
Cc1cccc(Cc2nnc(CCC(=O)N3CCCC(CN4CCOCC4)C3)o2)c1,1,0,0,0
O=C(c1ccc2c(C(=Nc3ccc(CN4CCCCC4)cc3)c3ccccc3)c(O)[nH]c2c1)C1CCCN1,0,0,0,0
COC(=O)c1c(N)sc(Cc2ccccc2)c1C,0,0,0,0
COc1cccc(-c2nc(SCc3cccc(Br)c3)n3[nH]c(=O)cc3n2)c1,0,0,0,0
Cc1ccccc1N1CCN(Cc2nc(Cc3ccccc3)no2)CC1,0,0,0,0
Cc1ccccc1-c1cc(C(O)(CCc2ccccc2)c2cncn2C)ccc1C#N,0,0,0,0
COc1ccc(N2CCN(c3ccc(C(=O)O)cc3[N+](=O)[O-])CC2)cc1,0,0,0,0
CCOC(=O)C1=C(COc2ccccc2)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3)cccc2c1,0,0,0,0
N[C@H]1CCCCCCC[C@@H](C(=O)NCc2ccccc2CC(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,0
NC1=NC(=O)C(=Cc2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1,0,0,0,0
CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2Cl)C(=O)NCCN2CCOCC2)c2ccccc21,1,0,0,0
CN(C1=NS(=O)(=O)c2ccccc21)c1ccc(OC(=O)c2ccccc2)cc1,0,0,0,0
Cc1c(/C(O)=C2\C(=O)C(=O)N(CCN(C)C)C2c2cccnc2)cnn1-c1ccccc1,0,0,0,0
COc1cc(C)c(Cl)cc1S(=O)(=O)NCc1ccncc1,0,0,0,0
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3C2CN(S(=O)(=O)C3CC3)C2)cn1,0,0,0,0
COC(=O)N(CC1CCCC1)C1CCN(C[C@H]2CN(C(=O)c3ccccc3)C[C@@H]2c2ccccc2)CC1,0,0,0,0
CCOc1cccc(-c2csc(C3COc4ccccc4O3)n2)c1.Cl,0,1,0,0
CC(=O)N1CCC(n2c(=O)n(C)c3cnc4ccc(-c5cccc6[nH]ncc56)nc4c32)CC1,0,0,0,0
Cc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)cc1Cl,0,0,0,0
CCCCCCn1c(C)c(C)cc(Oc2nc3ccccc3o2)c1=S,0,0,0,0
CC(C=Cc1cccc([N+](=O)[O-])c1)=NNC(=O)c1cccnc1,1,0,0,0
O=[N+]([O-])c1cccc(-c2ccc(C=NN=C(S)Nc3ccccc3)o2)c1,1,0,0,0
O=C(Nc1cccc(Cl)c1Cl)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F,1,0,0,0
CCc1cccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)c1,0,0,0,0
Cc1sc2nc(CSCC(=O)NC(C)(C)C)[nH]c(=O)c2c1C,0,0,0,0
CCOC(=O)c1cnn(-c2nc(C)cc(C)n2)c1N,0,0,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
CCC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21,0,0,0,0
CC(C)CC(=O)Nc1ncnc2c1C(=O)CC(C)(C)C2,0,0,0,0
CC(=O)Nc1ccc(Cl)c(Nc2nc(C)cc(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
OCCN1CCN(CCCN2c3ccccc3Sc3cccnc32)CC1,0,0,0,0
O=c1[nH]c(=S)n(-c2ccc(Cl)cc2)c(O)c1C=Nc1ccc(N2CCOCC2)cc1,0,0,0,0
COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1C,0,0,0,0
Cc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,0,0,0,0
O=C1C(=CNNC(=S)Nc2cccnc2)C=CC(O)=C1O,0,0,0,0
CC(C)(C)C(=O)CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1,0,0,0,0
CC(=O)Nc1ccn(C2COC(COC(=O)c3ccccc3)O2)c(=O)n1,0,0,0,0
Cc1ccc(-c2cc(Cc3ccncc3)c(=O)[nH]n2)cc1,0,0,0,0
Cn1nnnc1-c1ccccc1-c1ccc(Cn2cnc3ccc(N(Cc4ccc(O)cc4)C(=O)c4ccccc4)cc3c2=O)cc1,0,0,0,0
O=C(c1ccc(Oc2ncccc2-c2ccnc3ccccc23)cc1)c1nc2ccccc2[nH]1,0,0,0,0
O=c1nc(SCc2ccc(F)cc2)n(CCc2cccs2)cc1Cc1cncnc1,0,0,0,0
O=c1c2ccccc2c2ccccc2c(=O)n1Cc1cccnc1,0,0,0,0
O=c1cnc2cnc(N3CCNCC3)nc2n1C1CC1,0,0,0,0
C=CC(=O)N1CC[C@H](N2C(=O)N(c3ccccc3)Cc3cnc(Nc4ccccc4)nc32)C1,0,0,1,0
CCN(CC)CCNC(=O)Cc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
O=C(NNc1c2ccccc2nc2ccccc12)c1ccc(O)cc1O,1,1,0,0
O=C(OCCC1CCc2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1)N1CCC(N2CCCCC2)CC1,0,0,0,0
CC(C)c1ccc(NC2CCCN(C(=O)c3ccnn3C)C2)cc1,0,0,0,0
CSc1nn2cc(-c3nc4c(OC(C)C)cccc4o3)nc2s1,0,0,0,0
CC(C)(C)c1ncc(CN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1,0,0,0,0
COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(N(C)C)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(OC4CCC(CO)CC4)cc3)[nH]c2c1,0,0,0,0
CC1=CC(=O)C(C(C)C)=CC1=NOC(=O)c1cccc2nc(C)oc12,0,0,0,0
CC(C)(C)CCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(F)cc3)c2=O)cc1,0,0,0,0
CN1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1,0,1,0,0
NC(=O)c1ccc(NCc2ccccc2)c2cccnc12,0,0,0,0
O=C1C2CNNC2NC(=S)N1c1ccccc1Cl,0,0,0,0
COc1ccc(CCN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(C)=O)cc1OC,0,0,0,0
CC(C)C[C@]1(CCO)C[C@H](CNC(=S)Nc2ccc(-c3c4ccc(=O)cc-4oc4cc(O)ccc34)c(C(=O)O)c2)ON1Cc1ccc(C(F)(F)F)cc1,0,0,0,0
CC(c1ccccc1)N(C(=O)c1ccc(O)cc1O)c1ccc(C(=O)N(C)C)cc1,0,0,0,0
c1ccc(SCc2nc(-c3ccncc3)no2)cc1,0,1,0,0
CC(=O)OC(C)(C)C=CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)C(=O)CC12C,0,0,0,0
CC1=C(C(=O)NCc2ccc(C)cc2)C2(CCCCC2)OC1=O,0,0,0,0
CCOc1ccc(-n2c(Nc3ccc(C)cc3)c3[nH]cccc-3c2=O)cc1,0,0,0,0
Cc1cc(-c2nc3ccncc3n2Cc2ccccc2)cn(C)c1=O,0,0,0,0
Cn1cncc1CN1CC(N(CCn2cccc2)S(=O)(=O)c2ccccn2)Cc2cc(C#N)ccc21,0,0,0,0
COc1ccc(N2CCN(C(=O)c3cccc(S(=O)(=O)N4CCCc5ccccc54)c3)CC2)cc1,0,0,0,0
Cn1c(=O)c2cc(S(=O)(=O)NC(C(=O)Nc3cccnc3)c3ccccc3)ccc2n(C)c1=O,1,0,0,0
C=C(C)COc1ccc(-c2n[nH]cc2Oc2cccc(OC)c2)c(O)c1,0,0,0,0
O=C(COc1ccccc1Cl)N1CCc2ccccc21,0,1,0,0
COc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3ccccc3)C(=O)O)s2)cc1,0,0,0,0
CCN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)c2ccccc2)CC1,1,0,0,0
Cc1cc(-c2ccccc2)cc(C)[n+]1Cc1ccccc1,0,0,0,0
COC(=O)C1(C)NC(c2ccc(C)cc2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0,0,0
Cc1cc(C)c2c(c1)[C@@H](N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2CC1CCC(C(=O)O)CC1,0,0,0,0
CCCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc(OC)cc1,0,0,0,0
COc1ccc(CNC2CCCCC2C)c(OC)c1,0,0,0,0
CC(=C1C(=O)c2ccccc2C1=O)N1CCN(c2ccccn2)CC1,0,0,0,0
Cc1ccc(-c2csc(NC(=O)c3cccs3)n2)cc1,0,1,0,0
O=C(O)CCCCCNc1ncnc2ccc(Br)cc12,0,0,0,0
Cc1ccc(N2CCc3ncnc(NC(C)c4ccccn4)c3C2)nc1,0,0,0,0
C[C@H](O)C(=O)NC1CCCc2c(-c3ccc(C(F)(F)F)cc3)cncc21,0,0,0,0
CCCc1ncc2c(OC)nc3ccc(OC)nc3n12,0,0,0,0
COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])cc1,0,0,0,0
Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1cccc(Cl)c1,0,0,1,0
COC(=O)CCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
Cc1cccc2cc(CN(Cc3nnnn3Cc3ccco3)C3CCCC3)c3nnnn3c12,0,0,0,0
Cn1ccnc1C1CCCCN1Cc1nc(-c2ccc3c(c2)OCO3)no1,0,0,0,0
COc1cnc2ccc([C@@](C)(F)c3nnc4c(F)cc(-c5cc(C)ns5)cn34)cc2c1,0,0,0,0
CCOC(=O)C1CCN(Cc2ccc(O)c3ncccc23)CC1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(OC)cc2)nc2ccc(Br)cc12,0,0,1,0
CCOc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)c(F)c1,0,0,0,0
Cc1c(CC(=O)O)c2ccc(Cl)nc2n1Cc1ccc(S(C)(=O)=O)cc1,0,0,0,0
N#Cc1ccc(C2C3=C(CCC3=O)N(c3cccc(C(F)(F)F)c3)C(=O)N2CC(=O)N2CCSCC2)cc1,0,0,0,0
CC(=O)N1CCN(Cc2cc(C)cc(Nc3nccc(-n4ccnc4-c4ccccc4)n3)c2)CC1,0,0,0,0
CCN(c1nc(C)cc(-c2ccccc2-c2nn[nH]n2)n1)c1ccc(C(C)C)cc1Br,0,0,0,0
COc1ccc2oc(=O)c(C(=O)NCc3cn(CCCCP(=O)(F)OC)nn3)cc2c1,0,0,1,0
Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
Fc1ccc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,0,0,0,0
CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNC(CCC(=O)O)CO4)no2)cc1Cl,0,0,0,0
CC(=O)c1ccc(-c2ccc(C(=O)NC3CC(C)(C)NC(C)(C)C3)o2)cc1,1,0,0,0
Cn1cnc([N+](=O)[O-])c1Sc1nc(N)nc2c1ncn2C1CC(O)C(CO)O1,0,0,0,0
CCN1CCCC1CNC(=O)C1CCN(Cc2nc(-c3cccc(Br)c3)oc2C)CC1,1,0,0,0
CNc1nc2[nH]c(-c3cccc(CN)c3)cc2c2c1ncn2C,0,0,0,0
Cc1ccccc1C(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)CC1c1cccs1,0,0,0,0
C=CCOC(=O)C1=C(C)NC(=S)NC1c1cccs1,0,0,0,0
COc1ccccc1-c1cc2c(NCc3cccnc3)ncnc2s1,0,0,0,0
CCCCC(=O)N(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)C1CCCC1,0,0,0,0
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(=S)[nH]2)cc1,0,0,0,0
CCOc1ccc(NC(=O)Cn2cnc3sc(C)c(S(=O)(=O)N4CCN(c5ccccc5OC)CC4)c3c2=O)cc1,1,0,0,0
Cc1cccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1,1,0,0,0
O=C1NC(=O)C(CCc2ccncc2)(c2ccccc2)C(=O)N1,0,0,0,0
COC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,0,0,0,0
CC(=O)N(CCO)CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CC=C(C)C(=O)Nc1cccc(C2=NOC3(C2)CC(C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1,1,0,0,0
C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCCCC1)CC2,0,0,0,0
CCc1cc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(OC)cn3)nn(C)c2=O)n(C)n1,0,0,0,0
CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc(cc2)OCCC[C@@H](C=O)NC1=O,0,0,0,0
c1cnc2c(OCc3cn4cccnc4n3)cccc2c1,0,0,0,0
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(CC)CC1,1,0,0,0
COc1ccc(C(=O)OCC(=O)Nc2ncc([N+](=O)[O-])s2)cc1OC,0,0,0,1
CCn1c(COc2c(C)cccc2C)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0,0,0
CCCC1(C(=O)OCC)NC(c2ccc(OC)cc2OC)C2C(=O)N(c3ccccc3)C(=O)C21,1,0,0,0
Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cc(C)cc3c2cnn3-c2ccc(NC3CC3)cc2)c(C)c1,0,0,0,0
CCOc1ccc(-c2n[nH]c(C)c2Oc2ccccc2OC)c(O)c1,0,0,0,0
Cc1csc(C(=O)O)c1-c1c(C)csc1C(=O)O,0,0,0,0
CCOC(=O)C(CCC(=O)O)(CCC(C)C)c1csc(N)n1,0,0,0,0
c1ccc2cc(OCC3=NCCN3)ccc2c1,0,0,0,0
Cc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)cc1,1,0,0,0
CCN1C(=O)C(=CNc2ccccc2)SC1=S,0,0,0,0
O=C(O)CCNC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
COc1ccc(CNc2cc(C)ccc2C)c(OC)c1OC,0,0,0,0
CC(C)(C)OC(=O)N1CCC(n2cc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cn2)CC1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(C(=O)O)ccc2C(F)F)c1,0,0,0,0
O=C(Oc1cccc(-c2ccccc2)c1)N1CCN(c2ncccc2C(F)(F)F)CC1,0,0,0,0
O=C(c1cc(C2CC2)nc2ccccc12)N1N=C(C(F)F)CC1(O)C(F)F,0,0,0,0
O=C(O)c1ccc(-c2n[nH]c3c2Cc2cc(CNC4CCC(O)CC4)ccc2-3)cc1,0,0,0,0
O=C1NC2(CCCC2)C(=O)N1CCS(=O)(=O)Oc1ccccc1,0,0,0,0
CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cc(F)ccc1OC[C@H]2CCN,0,0,0,0
Cc1cc(S(=O)(=O)c2ccc(F)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
O=C1Nc2ccccc2C(=O)C1(Cl)Cc1ccccc1,0,0,0,0
C(#CC1CCCCC1)c1ccc2c(c1)COc1c3ccccc3nn1-2,0,1,0,0
CCC1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c2cc(Cl)ccc2O1,1,0,0,0
Cc1cc(C(=O)NC2CCCc3c2cnn3-c2cccc(C)c2C)n(C)n1,1,0,0,0
O=C(c1cccs1)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1,0,0,0,0
COc1cc(S(=O)(=O)c2ccc(Cl)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
CN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cccc12,0,0,1,0
O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1,1,0,0,0
C#CCCN1CCN(c2ccc(Nc3nc(OC4CCN(C(=O)C=C)CC4)c4c(-c5cncc(NC)n5)c[nH]c4n3)cc2)CC1,0,0,1,0
O=c1[nH]c2ccccc2c2c1sc1ccccc12,0,0,0,0
CCOc1ccc(-c2n[nH]cc2-c2ccccc2)c(O)c1,0,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3cc(Cl)c(O)c(Cl)c3)nc2n1,0,0,0,0
CC1CC(=NNc2nc3ccccc3[nH]2)CC(C)(C)C1,0,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(OC)c(F)c4)cc32)cc1C,0,0,0,0
O=C(O)c1sccc1S(=O)(=O)N1CCOCC1,0,0,0,0
CCOC(=O)C1=C(COC(=O)COc2cc(C)ccc2C)NC(=O)NC1C,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C,0,0,0,0
NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O,0,0,0,0
CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(N3CCNC(=O)C3)nc12,0,0,0,0
COc1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,0,0,0,0
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(=O)O)cc2)cc1,1,0,0,0
O=C(N/N=C/c1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,0,0,0,0
CCc1nc2sccc2c(=O)[nH]1,0,0,0,1
CC1CN(c2ccc([N+](=O)[O-])cc2C#N)CC(C)O1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)c(Cc4ccccc4Cl)n2C2CC3C2)C1=O,0,0,0,0
COc1ccccc1-c1c(-c2ccc(OCC(=O)NN)cc2O)n[nH]c1C(F)(F)F,0,0,0,0
CNC(=O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
c1ccc(-c2nc(-c3ccco3)n3ccccc23)cc1,1,0,0,0
CCCn1c(=O)c2nc(C3CCCC3)[nH]c2n(CCCCC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O,0,0,1,0
COc1ccc(CCNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC,0,0,0,0
O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1CCCO1,0,1,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2cc(F)ccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
O=[N+]([O-])c1ccc(NCCNCCOc2nonc2-c2ccccc2)c([N+](=O)[O-])c1,0,0,0,0
O=C(c1ccc(CN(Cc2ccc(F)cc2)S(=O)(=O)c2cc(Cl)cc(Cl)c2O)cc1)N(Cc1ccc(F)cc1)Cc1cc(Cl)cc(Cl)c1,0,0,0,0
CN1C(=O)C(=C2SC(=S)N(C(CCC(=O)O)C(=O)O)C2=O)c2ccccc21,0,0,0,0
COc1ccc2c(c1)c(=O)oc1c(C)c(OCc3ccc(C(=O)O)cc3)ccc12,0,1,0,0
FC(F)(F)c1cnc2[nH]cc(Cc3ccc(NCc4ccc(C(F)(F)F)nc4)nc3)c2c1,0,0,0,0
COc1cccc(CNC(=O)c2cnn3c(=O)c(Cl)c(C)[nH]c23)c1,1,0,0,0
CCOC(=O)C1CCN(c2nc(C)cc(C)c2C#N)CC1,0,0,0,0
CSc1nn2cc(-c3nc4c(O)cccc4o3)nc2s1,0,0,0,0
C/C(=N/NC(=O)c1cccs1)c1c(C)[nH]n(-c2nc3ccccc3s2)c1=O,0,1,0,0
CC1CCCC2(C1)NC(=S)N(c1ccccc1)N2,0,0,0,0
COc1cc2cc(-c3ccc([N+](=O)[O-])cc3)cnc2cc1OC,0,0,0,0
CN1C(=O)C(c2cccc(-c3cncc(C#N)c3)c2)(C2CC2)N=C1N,0,0,0,0
Cc1cc(Nc2ccc(N(C)C)cc2)n2ncnc2n1,0,1,0,0
O=C(O)c1ccc(CN2CCCCC2)o1,0,0,0,0
COC(=O)[C@H](CCSC)NC(=O)N1CCN(Cc2ccccc2)CC1,0,0,0,0
O=C(O)c1c(NS(=O)(=O)c2ccccc2/C=C\CN2CCCC2)ccc2c1CCCC2,0,0,0,0
COc1ccccc1Oc1c(C)oc2c(CN(C)C)c(O)ccc2c1=O,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
CC(C)CCNC(=O)C1CCN(c2nc3ccccc3o2)CC1,0,0,0,0
Cc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12,0,0,0,0
N#Cc1nc(NCc2cccc(-c3cccs3)c2)c2ncn(CCCO)c2n1,0,0,0,0
Cc1ccc(C(C(=O)NCCc2ccccc2)N(C(=O)c2csnn2)C2CC2)o1,1,0,0,0
CCOC(=O)[C@@]12C(=O)C(=O)N[C@]1(c1ccccc1)C1OCCCC12,0,0,0,0
CCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0,0,0
CNC[C@@H](O)[C@H](c1ccc(Cl)cc1)N(C)c1ccccc1,0,0,0,0
O=C(COC(=O)c1ccccc1)c1ccc(Br)cc1,1,1,0,0
Cc1cc(C)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1,0,0,0,0
O=C(c1ccccn1)c1cc2ccccc2n1S(=O)(=O)c1ccccc1,0,0,0,0
C=CCOc1c(CNc2cccc(C(=O)O)c2)cccc1OCC,0,0,0,0
COc1ccc(-c2cc(C=O)c(O)c(OC)c2)cn1,0,0,0,0
COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1S(=O)(=O)N1CCOCC1,1,0,0,0
C/C=C/C(=O)OCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1,0,0,0,0
Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2cccc(C)n12,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(C=O)CC2,0,0,0,0
CCOC(=O)c1c(C)sc2c1N(C(=O)CN(CC)CC)c1cc(Cl)ccc1S2,1,0,0,0
CN(c1nc2ccc(Cl)cc2s1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
Cc1c(C(=O)Nc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-],0,1,0,0
CN(C)C1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,0,0,0,0
CCc1cc2c(NCC3CCCO3)nc(C)nc2s1,0,0,0,0
CN(C)S(=O)(=O)N(Cc1ccc(Br)cc1)c1ccccc1,0,0,0,0
[O-][n+]1ccc(CC(c2ccc(C(O)(c3ccccc3)C(F)(F)F)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1,0,0,0,0
CCC(=O)c1cc([C@]2(c3cccc(-c4cccnc4F)c3)N=C(N)N(C)C2=O)cs1,0,0,0,0
COc1ccc(-c2ccnc(SCC(=O)c3ccc(OC)c(OC)c3)n2)cc1,1,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)c2cc3ccc(O)cc3oc2=O)CC1,0,0,1,0
NCCCc1cc2c(Br)c[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2cccc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
Cc1cccc(C)c1OCC(=O)Nc1c(C(=O)c2ccccc2)oc2ccccc12,1,0,0,0
Cc1c(Cl)cccc1NC(=O)C1NC(=O)CC1c1ccccc1,0,0,0,0
NC(=O)CN1C(=O)C(=Cc2ccco2)N=C1c1ccccc1,0,0,0,0
Cc1cccc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)n1,0,1,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)c(C)c1,0,0,0,0
COc1ccc(C2CC(=O)N(Cc3ccccc3C)c3c2c(C)nn3-c2nc(C)cc(C)n2)c(OC)c1,0,0,0,0
Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cc1,0,0,0,0
Nc1ncnc2c1c(-c1ccc(Cl)c(O)c1)nn2[C@@H]1CCNC1,0,0,0,1
NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCC2)CC1,0,0,0,0
O=C1CC(c2cccnc2)=NN1c1ccccc1,0,0,0,0
O=S(=O)(Nc1ccncn1)c1cc(Cl)c(Oc2ccc(Cl)cc2C2CCNCC2)cc1F,0,0,0,0
CC[Si](CC)(CC)CCc1cc(C(N)=O)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=S(=O)(NCCC1=CCCCC1)c1ccc(OC(F)(F)F)cc1,0,0,0,0
CC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-],0,0,0,0
Cc1ccc(N=C2C=C(O)C(=O)c3ccccc32)c(C)c1,0,0,0,0
COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)C(C)C)c(C=O)nc32)ncc1C#N,0,0,1,0
Cc1ccc2c(c1)c(C)cc[n+]2Cc1ccccc1,0,0,0,0
CCN(Cc1cccc(-c2ccc(C#N)cc2)c1)[C@H]1C[C@H]2C(=O)N(c3cc(Cl)cc(Cl)c3)C(=O)N2C1,0,0,0,0
OCCNc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,0,0,0,0
COc1cccc(C(=O)NC2C(=O)N3C(C(=O)O)=C(COC(C)=O)CSC23)c1,0,1,0,0
CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2C1c1cccc(O)c1,0,0,0,0
O=C(/C=C/c1ccc2c(c1)OCCO2)c1ccc(O)cc1,0,1,0,0
O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)Cc1ccccc1,0,0,0,0
O=C(c1cccs1)N(c1ccc(Br)cc1)C1CCN(Cc2ccccc2)CC1,0,0,0,0
CC(=O)Nc1ncc(SCC(C)C)s1,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)O[C@H](C)CF)CC2)c1F,0,0,0,0
O=C1C=CC(=Cc2c(-c3ccc(Cl)cc3)[nH]oc2=O)C=C1,0,0,0,0
O=C(O)c1cccc(OC(=O)C2CCN(Cc3ccccc3)C2=O)c1,0,0,1,0
Nc1nc(CN2CCN(Cc3ccccc3)CC2)nc(Nc2ccc3c(c2)OCCO3)n1,0,0,0,0
CC1CN(Cc2ccccc2)CC1c1nn2c(-c3ccc(F)cc3F)ncc2c(=O)[nH]1,0,0,0,0
COc1cc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc(OC)c1OC,0,0,0,0
CCOC(=O)[C@@]1(Cc2ccccc2)CCc2cnc3c(-c4ccc(C(F)(F)F)cc4)cnn3c21,0,0,0,0
CN1CCc2c(sc3ncn(CCN4CCN(c5cccc6cccnc56)CC4)c(=O)c23)C1,0,0,0,1
Cc1nc(-c2cn3c(n2)-c2ccc(-c4cnn(CCO)c4)cc2OCC3)n[nH]1,0,0,0,0
Clc1cnc2nc1NCc1cccc(c1)OCCCc1cccc(c1)N2,0,0,0,1
O=C1C(Nc2cccc(O)c2)=C(N2CCCCC2)C(=O)c2ccccc21,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccc(Cl)cc12,0,0,1,0
CCCCOc1cnc(-c2c[nH]c3ccc(-c4nnc(N)s4)cc23)cn1,0,0,0,0
Cc1cc(-c2nnc3c4ccccc4c(OCc4cnn(C)n4)nn23)no1,0,0,0,1
C[C@@H](Nc1ncnc2[nH]c(-c3ccc(NCc4ccc(/C=C/C(=O)NO)cc4)cc3)cc12)c1ccccc1,0,0,0,1
OCCSc1nc(-c2ccccc2)nc2ccc(F)cc12,0,0,0,0
Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(S(=O)(=O)N(C)C)ccc3C)s2)cs1,0,0,0,0
CNC(=O)NC1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(CC(C)C)c23)c1,0,0,0,0
Cc1ccc2c(c1)C(N1CCCC1=O)CC(c1ccco1)N2,0,1,0,0
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(NCC5CC5)CCCCC4)CC3)c2)n[nH]c(=O)c1C,0,0,0,0
O=C(c1ccco1)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1,0,0,0,0
CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)cc2)cc1F)C(=O)O,0,0,0,0
c1ccc(-c2cncc(Cc3ccc(-c4ccccc4)nc3)c2)cc1,0,0,0,0
CC(C)Cn1c(-c2ccccc2F)n[nH]c1=S,0,0,0,0
CCCc1nc(C)c2c(C)nc3ccc(OC(F)F)nc3n12,0,0,0,0
COc1cccc(-c2nc(OC)c3ccccc3n2)c1,0,0,0,0
CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1,0,0,0,0
CCn1c(Oc2ccccc2C)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
O=C(Nc1cccc(Cl)c1)Nc1ccc(Cl)cn1,1,0,0,0
CC1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1,0,0,0,0
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(N5CCC(N)CC5)nc4)c3c2)cc(Cl)c1O,0,0,0,0
O=C(Nc1cccnc1)c1ccc(Oc2ccccc2)cc1,0,1,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4)cn3)[C@H]12,0,0,0,0
CCc1ccc(NC(=O)c2oc3c(c2C)-c2n[nH]cc2CC3)cc1,1,0,0,0
Cc1ccc2n(n1)c(=O)c(Cc1ccccc1)c([O-])[n+]2-c1ccccc1,0,0,0,0
Cc1cccc(-n2c(=O)c3c4c(sc3n3cnnc23)CCCC4)c1,0,0,0,0
COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc([C@H](C)F)sc4n3)oc2c1,0,0,0,0
O=C1NC(C(=O)O)=CC(c2ccc([N+](=O)[O-])cc2)N1,0,0,0,0
CNCc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12,0,0,0,0
C[C@@H]1CN(Cc2cn[nH]c2-c2ccc3c(c2)CNC(=O)N3)CCN1c1ccc(C(F)(F)F)cn1,0,0,0,0
O=C(c1cccc(N2C(=O)c3ccccc3C2=O)c1)N1CCCCCC1,0,0,0,0
CC[C@]1(C(=O)O)CCc2ccc(OCCCOc3ccc(C4CCOCC4)cc3Cl)cc2O1,0,0,0,0
O=c1c2ccccc2cnn1Cc1ccc(Cl)c(Cl)c1,0,0,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1CC(C)C,0,0,0,0
N#Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1C#N,0,0,0,0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccc(F)cc2)c2cc(Cl)ccc2N1,0,0,0,0
CC(C)(O)CSc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1,0,0,0,0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OC[C@@H]3O[C@@H](O)[C@@H](O)[C@H](O)[C@H]3O)c(O)cc(O)c12,0,0,0,0
Cc1cc(OC[C@@H]2[C@H]3CC[C@H](c4csc(C(=O)O)c4)O[C@H]3C[C@H]2O)ccc1Cl,0,0,0,0
O=C(Nc1nccs1)C(Cl)(Cl)Cl,0,0,0,0
O=C(O)C[C@@H]1SC(c2ccc3c(c2)OCO3)=NC1=O,0,0,1,0
COc1cc2[se]n(CCCCC3CCN(Cc4ccccc4)CC3)c(=O)c2cc1OC,0,0,0,0
CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3)C(C)C2)c1,1,0,0,0
C=CCNC(=O)c1c(-c2c(F)cccc2Cl)noc1C,0,0,0,0
COc1ccc(-n2nc([N+](=O)[O-])c(=NCc3ccc4c(c3)OCO4)n2O)cc1,0,0,0,0
COc1ccc(Cl)c(OC)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
NCCCC[C@H]1CNC(=S)N1CCCCC1CCCCC1,0,0,0,0
CCCNC(=O)CSc1nc2ccccc2nc1Cc1ccc(Cl)cc1,0,0,0,0
Cc1cc(O)c2c3c(c(=O)oc2c1)CCC(C)C3,0,0,0,0
NC(=O)c1ccc(C(F)(F)F)n(Cc2cccc(Cl)c2)c1=O,0,0,0,0
Cc1ccc(C)c(N2CCN(c3cc(C)nc4c(-c5ccc(Cl)cc5)c(C)nn34)CC2)c1,0,0,0,0
COCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
COc1ccc2nc(-c3cn4nc(SC)sc4n3)oc2c1,0,0,0,0
CCOC(=O)c1nc(NCCc2ccccc2)sc1C,0,0,0,0
CCCCNC(=O)c1cnc(-n2ncc3cc(C#N)c(N)nc32)cc1NC1COC1,0,0,0,0
COc1nc(-c2cccc(F)c2)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12,0,0,0,0
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCNCC1,0,0,0,0
CC(C)Nc1cncc(-c2c[nH]c3ccc(-c4nc(N)ns4)cc23)n1,0,0,0,0
CCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)nc(C)nc3c2)CC1,0,0,0,0
Cc1ccc(Sc2ccc(N3CCCC(C(=O)Nc4ccc(Cl)cc4)C3)nn2)cc1,1,0,0,0
Nc1nc2c(c(=O)[nH]1)NC(=NCc1cccs1)C2,0,0,0,0
COc1cc(Oc2ccccc2F)ccc1-c1nccc2cc(S(=O)(=O)Nc3ccncn3)ccc12,0,0,0,0
CCCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
Cc1nn(-c2ccc(C#N)c(C(F)(F)F)c2)c(C)c1Cc1ccc(F)cc1,0,0,0,0
CCc1c(C)nc2nc(-c3ccccc3)nn2c1NCc1ccc(C)cc1,0,0,0,0
COc1ccc([C@H](Cc2ccncc2)c2ccc(NS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)cc1OC1CCCC1,0,0,0,0
c1ccc2oc(-c3cn4nc(C5CC5)sc4n3)cc2c1,0,0,0,0
CCC(C)c1cccc2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
COc1cccc(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccccc3SC)=C2)c1,1,0,0,0
CN1CCCCC1Cc1ccccc1,0,0,0,0
CCCCc1ccc(NN=C(C(C)=O)C(=O)Nc2ccc(NC(C)=O)cc2OC)cc1,1,0,0,0
CCC(=O)N1CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2C(C)C1,0,0,0,0
COCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1,0,0,0,0
CC(C)CC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,1,1,0,0
Cc1ccc(NC(=O)c2cncc(Br)c2)c(O)c1,0,1,0,0
O=C1c2ccccc2S(=O)(=O)N1CSc1nnnn1-c1ccccc1,0,0,0,0
CCN(CCO)CCOc1ccc2c(c1)C(C)(C)c1oc3ccccc3c1C2=O,0,0,0,0
CNS(=O)(=O)c1ccc(SC)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
Cc1ccc(S(=O)(=O)N/N=C\C=C\c2ccccc2)cc1,0,0,0,0
COc1cc2ncc(C(N)=O)c(Nc3ccc(F)cc3F)c2cc1N1CCN(C)CC1,0,0,0,0
Cc1ccc(-c2ccc(Cl)cc2COc2ccc(CCC(=O)O)cc2)cc1,0,0,0,0
C#Cc1cn2c(-c3ccc(C(=O)NCC(F)F)c(C)c3)cnc2c(NCCC(F)(F)F)n1,0,0,0,0
CC(C)[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc21,0,0,0,0
CSc1cc(C)n(-c2ccccc2)c(=S)c1C(C)=O,0,0,0,0
Cc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)N1CCOc2ccccc21,0,0,0,0
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccs2)c1,0,1,0,0
Cc1oc(-c2ccccc2F)nc1CS(=O)(=O)CC(=O)NC(C)CCc1ccccc1,1,0,0,0
Cc1ccccc1CN1CC(CCN2CC(N3CCOCC3)C2)(c2ccc(Cl)c(Cl)c2)CCC1=O,0,0,0,0
CCOC(=O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,1,0,0,0
CN(C)CC1(c2cccc(Cl)c2)CCCCC1,0,0,0,0
CC1(O)C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1,0,0,0,0
O=c1[nH]c(N2CCN(c3nncs3)CC2)nc(N[C@H]2CCCNC2)c1-c1nc2ccccc2s1,0,0,0,0
CC(C)NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1,1,0,0,0
O=C1N(Cc2ccccc2)c2ccc(Cl)cc2C1(O)c1c[nH]c2ccccc12,0,0,0,0
O=C1C(=Cc2ccccn2)SC(=S)N1NS(=O)(=O)c1ccccc1,0,0,0,0
CCC(CC)C(=O)Nc1ccccc1SCc1cc(=O)c2cccc(C)c2[nH]1,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COC(=O)c2ccc(S(=O)(=O)Oc3ccc(/C=C/[N+](=O)[O-])cc3)cc2)[C@@H](O)[C@H]1O,0,0,0,0
O=C(O)c1c(NS(=O)(=O)c2ccccc2NCCc2ccncc2)ccc2c1CCCC2,0,0,0,0
Cc1[nH]c(=O)c(C(=O)c2cc(Cl)ccc2O)cc1C(=O)O,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(OC)cc1OC,0,0,0,0
O=[N+]([O-])c1ccc(N2CCN(c3ccccc3O)CC2)c(Cl)c1,1,0,0,0
CC1CCN(CCOc2ccc(Cl)cc2)CC1,0,0,0,0
Cc1cc(-c2cnn(C(C)(C)C(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1cc(Nc2nc(C#N)cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
COc1cccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccc(OC)c(OC)c2)c1,0,0,0,0
COc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(CCN)n2)cc1,1,0,0,0
CC(=O)c1cnc(N(C)C)s1,1,0,0,0
Nc1ncc(-c2nccc(-c3cc4c([nH]3)C3(CCNCC3)CNC4=O)n2)cn1,0,0,0,0
CN(C)CCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0,0,0
Cc1cnc(F)c(CN2CCC(CC#N)(n3cc(C(N)=O)c(Nc4ccnc(F)c4)n3)CC2)c1,0,0,0,0
C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)c1,0,0,1,0
CSc1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1,0,1,0,0
CCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1,0,0,0,0
CSc1ccc(CN2C(=O)C(=O)c3cc(S(=O)(=O)N4CC[C@H]4COc4ccccc4)ccc32)cc1,0,0,0,0
O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccs1,0,1,0,0
CN(CC(=O)NCCCc1ccccc1)Cc1ccc(Br)cc1,1,0,0,0
C[C@H]1OC(=O)[C@]2(N)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4-c4nn[nH]n4)cn3)C12,0,0,0,0
C=CCn1c(SCC(=O)N(CCO)CCO)nc2sc3c(c2c1=O)CCC3,0,0,0,0
C[C@H]1COCCN1c1nc(N2CCOC[C@@H]2C)c2ccc(-c3ccc4nc[nH]c(=O)c4c3)nc2n1,0,0,0,0
COc1ccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nc(Cc4c(Cl)cccc4Cl)n[nH]3)c2=O)cc1,0,0,0,0
Cc1c(CCC(=O)N2CCC(C(=O)O)CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4,0,1,0,0
NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,0,0,0,0
CCCCC1CN(CC2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0
COc1ccc(/C=N/n2c(=O)[nH]c3c([nH]c4ccc(Br)cc43)c2=O)cc1CN1CCOCC1,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)o2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
O=c1ccccn1Cc1ccccc1F,0,0,0,0
CCSC1=NC(=Cc2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
O=c1[nH]c(N2CCn3cc(C(F)(F)F)nc3C2)nc(N[C@H]2CCCNC2)c1-c1nc2ccccc2s1,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(C)c2)c1C,0,0,0,0
CCn1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)n1,0,0,0,0
C=CCn1c(Oc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
O=C(/C=C/c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1)NO,0,0,0,0
O=C(c1cc(-c2ccccc2)on1)N(C1CCCCC1)C1CCCCC1,0,0,0,0
COc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21,0,0,0,0
COc1ccc2c(c1)NC1(CCN(C(=O)c3cccc4ncccc34)CC1)c1cccn1-2,0,0,0,0
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)n1,0,0,0,1
N#Cc1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(F)cc1-c1ccc(F)nc1,0,0,0,0
COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1OC,1,0,0,0
Clc1ccc(-c2cc3ccccc3nc2N2CCOCC2)cc1,0,0,0,0
COC(=O)C(C)Sc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0,0,0
CN(C)c1ccc(C=NN2C(=S)SC(C)(C)C2N(O)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1,1,0,0,0
O=c1n(Cc2nc(-c3ccccc3Cl)n[nH]2)nc(-c2ccc(Cl)cc2)n1C[C@H](O)C(F)(F)F,0,0,0,0
CC(=O)NC1CCc2ccc(CCN3CCN(c4nsc5ccccc45)CC3)cc21,0,0,0,0
CCCC1(C(=O)OCC)NC(c2ccc(O)cc2)C2C(=O)N(c3cccc(C(C)=O)c3)C(=O)C21,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C(C)F)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
Cc1cccc(-c2nnn(Cc3nnc(NC(=O)c4ccccc4)s3)n2)c1,1,0,0,0
Clc1cccc(N2CCN(CCCCc3cn(-c4ccn5nccc5c4)nn3)CC2)c1Cl,0,0,0,0
Cc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2ccccc2)cc1F,0,0,0,0
CCN(CC)CCn1cnc2c([nH]c3cccc(OC)c32)c1=O,1,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3cccc(SC)c3)CC2)c1,1,0,0,0
COc1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1OC,0,0,0,0
CCCn1c(N)c(-c2nc(C3CCCC3)c(C(=O)c3ccc(NC(C)=O)cc3)s2)c(=O)n(C)c1=O,0,0,0,0
c1ccc2sc(-c3ccc4c(c3)OCO4)nc2c1,0,1,0,0
CCN(CC)c1ccc(NC(=O)CCN2C(=O)c3ccccc3S2(=O)=O)c(C)c1,1,0,0,0
COc1ccc(NS(=O)(=O)c2ccc3nc(COc4ccc(Cl)c(C)c4)[nH]c3c2)cc1,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCC(C2)N1,0,0,0,0
CCOC(=O)c1c(N)sc2c1CCC(C)C2,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C(=O)NCC(=O)O)c2)c1,0,0,0,0
CC(C)c1ccc(S(=O)(=O)c2c[nH]c(=S)nc2N)cc1,0,0,0,0
O=C(c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(c2ccccn2)CC1,1,0,0,0
NC(=O)c1ccc(-c2nc(C3CCOCC3)cnc2N)cc1F,0,0,0,0
COc1ccc(CCNc2ccc(S(N)(=O)=O)cn2)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)CO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccc(O)c(O)c1,0,0,0,0
COc1ccc(-c2n[nH]c(=S)[nH]2)cc1OC,0,0,0,0
COc1ccc(-c2nnc(C3CCN(C(=O)c4ccccc4F)CC3)o2)cc1,0,0,0,0
CCN(CC)CCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1,0,0,0,0
O=C1CC(N2CCSCC2)C(=O)N1c1ccc(Br)cc1,0,0,0,0
COc1cc(OC)cc(C(=O)N2CCN(c3ncccn3)CC2)c1,0,0,0,0
CS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc21,1,0,0,0
C=CCN1C(=O)NC(=O)C(C=NN2CCCCC2)C1=O,0,0,0,0
Cc1ccc(CS(=O)(=O)c2nc3c(c(N(C)C)n2)CCCC3)cc1,0,0,0,0
CS(=O)(=O)c1cccc(-c2cccn3nc(Nc4ccccc4)nc23)c1,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1Cl,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(-c2noc(C)n2)c1,0,0,0,0
COc1ccc(N2CCN(c3ccc(N)cc3C#N)CC2)cc1,1,0,0,0
CN(C)CC1CCCCC1OC(=O)c1ccc(Cl)cc1Cl,0,0,0,0
COc1cc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc(OC)c1O,0,1,0,0
COc1ccc(N2CCN(Cc3nc(Cc4cccc(F)c4)no3)C(C)C2)cc1,1,0,0,0
CCN(CC)c1ncc(N(c2ccc(F)cc2)S(C)(=O)=O)c(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)O)n1,0,0,0,0
O=C(NC1CNCCCC1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1,0,0,0,1
Cc1nc(NCCN2CCOCC2)cc(Nc2cc(-c3cccc(NS(=O)(=O)c4ccccc4)c3)[nH]n2)n1,0,0,0,0
CC(Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)C(F)(F)F,0,0,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3cc(Cl)ccn3)cc2)CCOCC1,0,0,0,0
CC(=O)Nc1cccc(-c2nnc3n2CC(C)S3)c1,0,0,0,0
CCCCC1(Cc2ccc(OC)c([N+](=O)[O-])c2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0,0,0,0
CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1,1,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1)N1CCC(O)(c2ncccc2C(F)(F)F)CC1,0,0,0,0
COc1ccc(CCNC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1OC,1,0,0,0
COc1ccc(OCC(O)Cn2c(Nc3cccc(C)c3)nc3c2c(=O)n(C)c(=O)n3C)cc1,1,0,0,0
CCn1c(SCc2ccc(C)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F,0,0,0,0
CC1(C(=O)N2CC3(CC(c4cccc(NC(=O)COc5ccc(Cl)cc5)c4)=NO3)CC2C(N)=O)CC1,1,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)C(F)F)cc1,0,0,0,0
COc1cccc(S(=O)(=O)Nc2onc(C)c2C)c1-c1ccc(CC(C)C)cc1,0,0,0,0
Clc1ccc(OCCNCCCSc2ccccc2)cc1,0,0,0,0
C=CC(=O)Nc1cc(C(C)C)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
CCCn1nc(-c2ccc(C#N)cc2)c2c3cc(OC)c(OC)cc3ncc21,0,0,0,0
COc1cccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCCO)CC(=O)N32)c1OC,1,0,0,0
O=C1C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21,0,0,0,0
Cc1ccccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O,0,0,0,0
CCCOc1ccc(Oc2ccc(-c3ccc([C@H](C)NC(C)=O)cc3)cn2)cc1,0,0,0,0
Cn1nccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,1,0,0
COc1ccc(-c2onc3ccc(Cl)cc23)cc1OC,1,0,0,0
Cc1ccnc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1,0,0,0,0
C=C(C)Cn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
CN1CCN(C2=Nc3ccccc3Oc3ccc(OS(C)(=O)=O)cc32)CC1,0,0,0,0
CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(/C=C/C3CC3)c2)N=C1N,0,0,0,0
CCCOC(=O)C1C2C=CC3(CN(Cc4ccco4)C(=O)C13)O2,1,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
FC(F)(F)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
CC1(C)CC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC(C)(C)N1,0,0,0,0
CC(C)c1nc2cc(C(=O)N3CCN(c4cnccn4)CC3)ccc2o1,0,0,0,0
CC(C)(C)c1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CCc2ccccc2)c1,0,0,0,0
CCOc1cc(C=C(C#N)c2[nH]nc(N)c2C#N)ccc1O,0,0,0,1
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCc1ccc(OC)c(OC)c1,1,0,0,0
COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O,0,0,0,0
O=c1nc(OCC2CCCO2)cc2n1CCc1cc(-c3ccc(Cl)s3)ccc1-2,0,0,0,0
O=C(NC1=NCCS1)C1COc2ccccc2O1,0,1,0,0
C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
COCCN1CC[C@H](C)Nc2cc(ccc2C(N)=O)-n2c(c(C)c3c2CC(C)(C)CC3=O)CC1=O,0,0,0,0
C=CCOc1c(Br)cc(CNc2ccc(NC(=O)CCC)cc2)cc1OCC,0,0,0,0
CC(C)(C(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(C(N)=O)c1)C2)CC1CCC1)S(C)(=O)=O,0,0,0,0
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1CCOc2ccc(Cl)cc21,0,0,0,0
O=NC1c2ccccc2-c2ccc([N+](=O)[O-])cc21,0,0,0,0
O=C(c1ccco1)N1CCN(Cc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)CC1,0,0,0,0
O=C(COC(=O)c1ccc(O)cc1O)NC12CC3CC(CC(C3)C1)C2,0,0,0,1
Fc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c(Br)c1,0,0,0,0
COC(=O)C1(Cc2ccccc2)C=CC(C)N1C(=O)c1ccccc1,1,0,0,0
Clc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Br)c4)c23)c1,0,0,0,0
CSc1ccccc1N=NC1C(=O)NN=C1C1CCN(C(C)=O)CC1,1,0,0,0
CCCC[C@@H](C[C@@H](CCc1ccc(-c2cc3ccccc3[nH]2)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O,0,0,0,0
CC(C)CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1,0,0,0,0
Cc1cc(C)cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)c1,0,0,0,0
Cn1ccccc1=Nc1cccc[n+]1C,0,0,0,0
Cc1ccc2c(c1)CCCC21CCN(Cc2ccccc2)CC1,0,0,0,0
O=S(=O)(Nc1ccc2ccn(CCN3CCCC3)c2c1)c1ccc2ccccc2c1,0,0,0,0
CCOc1ccccc1CNC(=O)c1ccc(-c2nc(CSc3ccc(C)cc3)c(C)o2)cc1,1,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(C(C)C)cc1,1,0,0,0
CC(=O)Oc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1,1,1,0,0
CSC(=O)N1CC2(CCCCC2)CSC1=Nc1cccc2ccccc12,0,0,0,0
O=C1OC(C=NNC(C[N+](=O)[O-])=Nc2ccc(F)cc2)c2ccccc21,0,0,0,0
O=c1c(Cl)c(N2CCNCC2)cnn1C12CC3CC(CC(C3)C1)C2,0,0,0,0
COc1cc(C)c(CNc2ccc(OC)c(OC)c2)cc1C,1,0,0,0
Cc1cc(O)c2c3c4c(cc(O)c13)C(C)(C)C(=O)c1c(O)cc(O)c(c1-4)C2=O,0,0,0,0
Nc1ncc(-c2cc[nH]c(=O)c2)cc1-c1ccc(Cl)cc1,0,0,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccc(F)cc3)CC2)cc1,0,0,1,0
Brc1ccc(Br)c(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
Cn1c(/C=C/N(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O,0,0,0,0
COc1ccc(C(=O)O)c(Oc2nc(Oc3cccc(-c4cccc(CN)c4)c3)c(F)cc2F)c1,0,0,0,0
Nc1nnc(Cc2ccc(Cl)cc2Cl)s1,0,0,0,0
CSc1nc(=O)c(C(c2cccc([N+](=O)[O-])c2)c2c(O)[nH]c(SC)nc2=O)c(O)[nH]1,0,0,0,0
CN(c1ccc(-c2nn[nH]n2)cc1F)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1,0,0,0,0
COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1,0,0,0,0
CCCN(CCC1CC1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c3ccccc3n12,0,0,0,0
Cc1cc(Nc2cccc(Cl)n2)n(-c2ccccc2)n1,0,0,0,0
COC(=O)C1C2CCC(CC1c1ccc(I)cc1)O2,0,0,0,0
NS(=O)(=O)c1ccc(NC(=O)C=Cc2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1,1,0,0,0
O=C(O)CCCCCC[C@@H]1C2CCC(C2)[C@@H]1c1cccnc1,0,0,0,0
CC1CCN(c2ncccc2C(=O)O)CC1,0,0,0,0
O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc2ccccc2o1,1,0,0,0
NC(=O)c1c(-c2ccccc2)c(Cl)n2c1CN(C(=O)NCC(F)(F)F)CC2,0,0,0,0
COc1cccc(OCc2nc3ccc(-c4cn[nH]c4)cc3c(=O)[nH]2)c1,0,0,0,0
Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1F,0,0,0,0
CSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)(C)C2,0,0,0,1
O=C1NC(=O)N(CCc2ccc(F)cc2)C(=O)C1=CNCCCn1ccnc1,0,0,0,0
O=S(=O)(Nc1nncs1)c1ccc(Oc2ccc(Cl)cc2-c2ccn[nH]2)c(Cl)c1,0,0,0,0
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(C)cc3)ccc21,1,0,0,1
Cc1cccc(C#Cc2ccc(N3CC(C)(C)N(C)C3=O)nn2)c1,0,0,0,0
Cc1ccc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(Cl)cn3)nn(C)c2=O)c(C)n1,0,0,0,0
CC(C)(C)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
N#Cc1cccc(C(O)(c2ccc3c(cnn3-c3ccc(F)cc3)c2)C(F)(F)F)c1,0,0,0,0
Cc1ccc(-c2nc(NCCN(C)C)c3ccccc3n2)cc1,0,0,0,0
CC(=O)OC1C=CC2(C)C(CC(OC(C)=O)C3(C)C4=CC(=O)OC(c5ccoc5)C4(C)CCC23)C1(C)C,0,0,0,0
COC(=O)C[C@H]1c2ccccc2C2=C(C[C@@H](C)[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]23)N1C(=O)OC,0,0,0,0
CCOCCCNC(=O)CC1Oc2ccc(C)cc2NC1=O,1,0,0,0
c1ccc(OCc2cc(OC[C@@H]3CCN3)no2)cc1,0,0,0,0
Cc1cc(C)c(-c2cncnc2N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)O)c(C)c1,0,0,0,0
O=c1c2cn[nH]c2c2ccc(-c3cccnc3Nc3ccc(F)cc3)cc2n1CC(F)(F)F,0,0,0,0
Cc1cc(OCCCCc2ccccc2)ccc1/C=C/CNCCC(=O)O,0,0,0,0
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3)CC2)cc1,1,0,0,0
Cc1nc2sccn2c(=O)c1S(=O)(=O)NCc1ccccc1,0,0,0,0
CC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)C1,0,0,0,0
Cc1ccc(OCCCCn2c(CCNC(=O)C(C)(C)C)nc3ccccc32)cc1,1,0,0,0
COC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1ncnc2sc(C)c(C)c12,1,0,0,0
CC(=O)COc1ccc2c(c1C)OC(=Cc1ccco1)C2=O,0,0,0,0
CCCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(C(F)(F)F)cccc43)c2)c1,0,0,0,0
CCOC(=O)C(=O)N(Cc1ccccc1)c1ccc2c(c1)OC[C@H](COc1ccc(C(=N)N)cc1)O2,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3ccc4c(c3)CC(=O)N4)n2)ccc1N1CCCC1,0,0,0,0
CCCCC12Cc3c(ccc4ccccc34)C(=C3C(=O)c4ccccc4C(=O)C3O1)O2,0,0,0,0
Cc1cc(=O)n2nc(NCc3ccccc3F)nc2[nH]1,0,0,0,0
COc1ccccc1N1CCN(CC(=O)Nc2cccc(F)c2)CC1,1,0,0,0
O=C1CCC([N+](=O)[O-])C(c2cc3c(cc2Cl)OCO3)N1,0,0,0,0
CCc1nn2cc(-c3nc4c(C)cccc4o3)nc2s1,0,0,0,0
COc1ccc(Cc2nnc(N/N=C/c3ccc(O)cc3O)[nH]c2=O)cc1OC,0,0,0,0
CN(Cc1ccncc1)c1ccc(OCCCCCCC(=O)NO)cc1,0,0,0,0
Cc1ccc(-c2c(C)sc3[nH]cnc(=O)c23)cc1C,0,0,0,0
O=C(CSc1c2c(nc3ccc(Cl)cc13)CCCC2)NCCCN1CCOCC1,1,0,0,0
COc1cc(S(=O)(=O)c2cccc(C(O)C(F)(F)F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CC1(C)CCC2=C(O1)c1ccc(Br)cc1C(=O)C2=O,0,0,1,0
COc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)Cc2ccccc2)cc1C,1,0,0,0
COC(=O)CCc1c(COC(C)=O)[nH]c(C(=O)OCc2ccccc2)c1C,0,0,0,0
Clc1ccc2c(c1)c(NC1CCN(Cc3ccc4ccccc4c3)CC1)nn2Cc1ccccn1,0,0,0,0
CCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccn3)cc2)[nH]1,0,0,0,0
Cc1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)N1CCCCC1,1,0,0,0
CC(C)(C)[C@@H](C#N)NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21,0,0,0,0
COc1cc(N2CCC(O)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
CN(C)S(=O)(=O)c1cnc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,0,0,0,0
CC[C@@H](Cn1ccc2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl,0,0,0,0
Cc1ccccc1NCc1ccccc1O.Cl,0,0,0,0
CCOc1ccc(OCC)c(NC(=O)CN2CCN(c3cccc(C)c3)CC2)c1,1,0,0,0
O=C(c1ccccc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1,0,0,0,0
CC(=O)C(C)Oc1ccc2c3c(c(=O)oc2c1C)CCCC3,0,0,0,0
OCc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,0,0,0,0
c1csc(SSC2CCCC2)n1,0,0,1,0
CSc1ccc(OC2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1,0,0,0,0
C=CCN(c1ccc(C(=O)N2CCCC2)cc1)S(C)(=O)=O,0,0,0,0
CN1C(=O)C(=Cc2ccc(C(=O)NC3CCCC3)cc2)Oc2ccccc21,0,0,0,0
O=C(O)Cc1sc(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
C=C(CN1CCOCC1)C(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,0,0,1,0
CCOc1ccc2oc(=O)cc(CN3CCOCC3)c2c1,0,0,0,0
CCN(CC)CCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,0,0,0,0
Nc1[nH]nc(NCCCn2ccnc2)c1-c1nc2ccccc2s1,0,0,0,0
COc1ccc(-c2n[nH]c(=S)n2N)c(OC)c1,0,0,0,0
Cc1nc2ccc(N=NC3=C(O)CCCC3=O)cc2s1,0,1,0,0
O=C(O)COc1ccc(Cl)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F,0,0,0,0
CCc1ccc(Sc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1,0,0,0,0
COC(=O)C1C2CCC(CC1c1ccc(Cl)c(Cl)c1)O2,0,0,0,0
Oc1cccc(-c2cccc(-c3ccc(Cl)s3)c2)c1,0,0,0,0
CCOC(=O)/C=C/C(=O)Nc1nccs1,0,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(C)cc1,0,0,0,0
Clc1ccc2[nH]cc(CCC3CCNCC3)c2c1,0,0,0,0
CC1(C)Cn2c(nnc2-c2ccccc2)S1,0,0,0,0
CC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1Cl,0,1,0,0
COc1ccccc1CNC(=O)c1oc2ccccc2c1C,1,0,0,0
Cc1cc(C)cc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1,0,0,0,0
CCNC(=O)c1cnc(NCCc2ccc(O)cc2)nc1Nc1cccc(C)c1,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCCOC)cc2Cl)cc1,0,0,0,0
O=c1n(CCc2ccc3ccccc3n2)nc2cccc(Br)n12,0,0,0,0
COc1cc(C=NNC(=O)C2c3ccccc3Oc3ccccc32)ccc1O,1,0,0,0
C[C@@H](Cn1ccc(-c2ccc(C#N)c(Cl)c2)n1)NC(=O)c1cc([C@@H](C)O)[nH]n1,0,0,0,0
Cc1noc2ncnc(Oc3ccc(C(C)(C)C)cc3)c12,0,0,0,0
COc1ccc2sc3ccccc3c(=O)c2c1,0,1,0,0
c1ccc(CC2CCCCN2)cc1,0,0,0,0
N#CC(=CN1CCC(C(=O)O)CC1)C(=O)NCCc1ccccc1,0,0,1,0
S=c1[nH]nc(-c2ccco2)n1-c1ccccc1Cl,0,0,0,0
CN(C)CCC(Oc1ccc(OCCCN2CCCCC2)cc1)c1ccccc1,0,0,0,0
COc1ccc(OC)c(C(c2c(O)[nH]c(SC)nc2=O)c2c(O)[nH]c(SC)nc2=O)c1,0,0,0,0
CCSC1=N/C(=C\c2ccc(C)s2)C(=O)S1,0,0,0,0
CCCOc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1,0,0,0,0
CCOC(=O)Cc1csc(NC(=S)NC(=O)CC(C)C)n1,0,0,0,0
CCCCNC(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(Cl)cc3)ccc12,0,1,0,0
O=C(CSCc1cccc(Cl)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
CC(C)CCN1CCN(Cc2ccccc2)[C@@H](CCO)C1,0,0,0,0
COc1ccc(N=Cc2c(O)[nH]c3ccccc23)cc1,0,1,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(S(=O)(=O)NCCCC(=O)O)c2)c1,0,0,0,0
O=C(c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1,1,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Br)cc3)cs2)n1)C(=O)O,0,0,0,0
NC(CSC1c2ccccc2-c2ccccc21)C(=O)O,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
O=C([C@@H]1CCCN1)N1CCCC1P1(=O)Oc2ccccc2-c2ccccc2O1,0,0,1,0
COc1ccc(Nc2nc(N)c3ccccc3n2)c(OC)c1,0,1,0,0
CCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1,0,0,0,0
COc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1Br,0,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(C(=O)O)cc2)c(C(F)(F)F)n1,0,0,0,0
COc1ccc(C2c3sc(=O)[nH]c3SC3C(=O)N(c4ccccc4)C(=O)C32)cc1,1,0,0,0
CC1=CC(C)(C)Nc2ccc(OS(=O)(=O)c3ccc(C)cc3)cc21,0,0,0,0
Cc1cc(CN2CCCCC2)oc1C(=O)O,0,0,0,0
COC(=O)c1ccc2c(c1)N(C)CC(C1=NCCN1)O2,0,0,0,0
C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(OCCn4cncn4)cc3)ncc2Cl)c1,0,0,0,0
CC(O)CN(CC(C)O)c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2,0,0,0,0
CCn1cc(S(=O)(=O)NCCc2ccc(OC)c(OC)c2)cn1,0,0,0,0
CCN(Cc1ccccc1)c1ccc(C=NN=C(S)NC(C)C)cc1,1,0,0,0
CCOc1cc(C=Nn2cnnc2)ccc1OS(=O)(=O)c1ccccc1,1,0,0,0
CN(C)c1cc(Cl)c2nonc2c1N,1,0,0,1
CC1(C)C(=O)N(c2ccc(C#N)c(C(F)(F)F)c2)C(=O)N1CCOCCOCCOCc1ccc(O)c(C(N)=O)c1,0,0,0,0
CCC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3)sc2c1,0,0,0,0
COc1cc2c(Nc3ncc(SCc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCC(CO)CC1,0,0,0,0
O=c1c(-c2n[nH]c(=S)o2)cccn1Cc1ccccc1,0,0,0,0
CCc1cc(C(=O)NOC)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1,0,0,0,0
COC(=O)c1ccc(C(NC(=O)OCc2ccccc2)C(C)=CC(C)C(=O)NCCN2CCOCC2)cc1,1,0,0,0
CN1CCN(c2ccc(NC(=O)N3CCc4ccccc43)cc2)CC1,0,1,0,0
COc1cc2c(c(C(C)C)c1OC)C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
CCOc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,0,0,0,0
CCOC(=O)c1sc(NC(=O)c2ccccc2OC)nc1C,0,1,0,0
Cc1cc(C)nc(SC2CC(=O)N(c3ccc(C)c(C)c3)C2=O)n1,0,0,0,0
CC1(C)C2CC=C(C=NNC(=O)c3ccc(Cl)cc3)C1C2,1,0,0,0
Cc1c(C(=O)Nc2ccc(C(=O)O)cc2)nnn1-c1ccccc1,0,1,0,0
COC(=O)c1sccc1-c1ccc(C=NOC(=O)c2cccs2)o1,0,0,0,0
CCOc1cc2c(Cl)ncnc2c(OCC)c1OCC,0,0,0,0
N#Cc1cscc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
COc1ccc(-n2c(C)nc3ccccc3c2=O)c([N+](=O)[O-])c1,0,0,0,0
Nc1nnc(CCCCCCCCCCc2nnc(N)s2)s1,0,0,0,0
CCc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1,0,0,0,0
O=C(O)Cc1nn(CC(=S)Nc2cc(C(F)(F)F)ccc2Br)c(=O)c2ccccc12,0,0,0,0
Cc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1,1,0,0,0
O=C(c1ccco1)N1CCN(Cc2nnnn2CC2CCCO2)CC1,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCCC)ccn2)cc1,0,0,0,0
O=C1CCc2cc(S(=O)(=O)Nc3cccc(F)c3)cc3c2N1CC3,0,0,0,0
CNC(=O)c1cnc(NCCc2ccc(O)cc2)nc1Nc1cccc(C)c1,0,0,0,0
CC1CN=C(Nc2cccc(S(=O)(=O)N(C)C)c2)S1,0,0,0,0
O=c1cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2o1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(CCO)CC1,0,0,0,0
CC(C)(C)c1ccc(Nc2ncnc3cc4oc(=O)n(CCOC(=O)CBr)c4cc23)cc1,0,0,0,0
CNc1ncc2cc(-c3ccc(-n4ccnc(C)c4=O)cc3Cl)c(=O)n(CCCN)c2n1,0,0,0,0
Cc1cc(Cc2c(C)c(C)c(Cc3cc(C)cc(C(C)(C)C)c3O)c(C)c2C)c(O)c(C(C)(C)C)c1,0,0,0,0
CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)C(=Cc1ccccc1)CC(C)C2)C1CCS(=O)(=O)C1,1,0,0,0
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccccc1)N(C)C(=O)[C@H](CSc1ccccc1)NC(=O)SC1CCCC1,0,0,1,0
COc1ccc(N2C(=O)C(=Cc3ccco3)N=C2SCC(=O)N(C(C)C)C(C)C)cc1Cl,0,0,0,0
COc1ccccc1NC(=O)Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1,0,1,0,0
CC(C)(N)c1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,0,0,0,0
NC(=O)c1ccc2c(c1)CCOC2CCN1CCC(c2c[nH]c3cc(F)ccc23)C1,0,0,0,0
O=S(=O)(CCc1nnc(-c2ccccc2)o1)c1ccc2ccccc2c1,0,0,0,0
CCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,0,0,0,0
CCN(CC)CCNc1ccc(C)c2sc3ccccc3c(=O)c12,0,0,0,0
C/C(=N\Nc1ccc(C(F)(F)F)cn1)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0,0,0
Cc1ccccc1CC1(CO)CCCN(C(=O)CCC(F)(F)F)C1,0,0,0,0
Cc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3)C2)nc(C)c1F,0,0,0,0
C=CCN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,0,0,0,0
CCN1CCCC1CNC(=O)Cn1cccc1C(=O)c1ccccc1C,1,0,0,0
O=C1C=CC=CC1=NC1=Nc2ccccc2N2NNN=C12,1,0,0,0
CCOc1ccc(-c2n[nH]cc2-c2ccc(OC)c(OC)c2)c(O)c1,0,0,0,0
CC(/C=C/[C@@]1(C)[C@H](C)CCC(=O)[C@@H]1C)=C\Cc1c(O)c(C=O)c(C)c(Cl)c1OC(=O)Cc1ccccn1,0,0,0,0
CCOC(=O)C(CC)n1cnc2sc3c(c2c1=O)CCC3,0,0,0,0
CC(C)(C)c1ccc(/C=N/N2C(=O)CSC2=S)cc1,0,1,0,0
Cc1nc(SCC(=O)NCc2ccco2)c2oc3ccccc3c2n1,1,0,0,0
COc1ccccc1NC1=NCCS1,0,0,0,0
COc1cc(CCCN2C(=S)NC[C@@H]2CCCCN)cc(OC)c1OC,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(C(N)=O)c(Nc3cccnn3)n2)CC1,0,0,0,0
CSc1n[nH]c(N)c1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
O=S(=O)(c1cccc2ccccc12)N1CCC(CNCc2ccc3ccccc3c2)CC1,0,0,0,0
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C,0,0,0,0
COC(=O)Cc1c(C)c2ccc(OCC(=O)N3CCC(C)CC3)c(C)c2oc1=O,1,0,0,0
CN(C)CCNC(=O)C(=O)C1C(=O)Nc2ccccc21,0,0,0,0
CCOC(=O)N=S(C)(=O)Cc1cccc(Nc2ncc(F)c(-c3cccc4c3OCCC4)n2)c1,0,0,0,0
Nc1nc2ccc(NCc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)c(Cl)c2c(=O)[nH]1,0,0,0,0
COC1=CC(=CCc2ccc3cccc(O)c3n2)C=CC1=O,0,0,0,0
CCCCOc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1,1,0,0,0
CCOC(=O)c1ccc2ncc(C(=O)OCC)c(NCCc3ccc(OC)c(OC)c3)c2c1,0,0,0,0
C[C@]12C=CC(=O)C(Sc3ccccc3)=C1C=C[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
COc1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1,0,1,0,0
C[C@@H]1CN(c2ccc(O)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@H](C)N1,0,0,0,0
CC1=CC(C)(C)n2c(O)c(N=NC(=N)S)c3cc(C)cc1c32,1,0,0,0
COc1ccccc1C1C(C(=O)C(C)(C)CO)C(=O)C(=O)N1c1ccc(SC)cc1,0,0,0,0
CCOC(=O)Cc1csc(SCC(=O)/C(C#N)=C(\C)N)n1,0,0,0,0
CN(C)C(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1,0,0,0,0
COc1ccccc1N1CCN(C(=O)NCc2cccc(C(F)(F)F)c2)CC1,1,0,0,0
O=C(O)c1cccc(CN2C(=O)C(=C(c3ccccc3)c3ccc(Cl)cc3)c3ccccc32)c1,0,0,1,0
CSc1ncccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1,1,1,0,0
NC(=O)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1,0,0,0,0
O=C(C=Cc1c(Cl)cccc1Cl)N1CCN(c2ncccn2)CC1,1,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3ccc(F)cc3)ccc21,0,0,0,0
COc1cccc(C2NC(=O)NC(C)=C2C(=O)OCCSC)c1OC,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NCC(C)c1ccccc1,0,0,0,0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccc(F)cc2)c2cc(F)ccc2N1,0,0,0,0
C[C@H]1CN(c2ncc(C(=O)N3CCCCC3)cc2Cl)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1,0,0,0,0
Cc1nc(-c2ccccn2)nc(NC2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1Cl,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccc(C(=O)C2CCN([C@H]3CN(Cc4ccccc4)CC[C@@H]3O)CC2)cc1,0,0,0,0
CCCCOC(=O)C1=C(C)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,0,0,0
COc1cccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)c1,0,0,0,0
O=C1CC[C@@H](CN[C@H]2CC[C@@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)N1,0,0,0,0
CCOC(CC(=O)NNC(=O)c1c(-c2ccccc2Cl)noc1C)OCC,0,0,0,0
CCNc1nc(C)c2cc(-c3cccc(OC)c3)c(=O)n(C3CCCC3)c2n1,0,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(O)cc4)cc32)cc1C,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12,0,0,1,0
Cc1cccc(C)c1-c1ccccc1CN(C(=O)c1ccc(-c2ccc(C#N)cc2)o1)c1ccc(N2CCNCC2)cc1,0,0,0,0
NC(=O)c1ccc2c(=O)c(O)c(-c3cc(Cl)c(N)c(Cl)c3)[nH]c2c1,0,0,0,0
O=[N+]([O-])c1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1,0,0,0,0
CC1(C)CN=C(c2cccc(Oc3cc(C(=O)O)cc(Oc4cc(C(=N)N)ccc4O)n3)c2)N1,0,0,0,0
CCc1nc2nc(C)cc(Nc3ccc(Br)cc3F)n2n1,0,0,0,0
Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(Br)n1-2,0,0,0,0
COc1ccc(NC(=S)Nc2ccc3c(c2)C(=O)OC3)cc1,0,0,0,0
O=C(c1cccs1)N1CCCC(N2CCN(c3ccc(F)cc3)CC2)C1,0,0,0,0
NC(=O)c1cccc2c(NCCc3c[nH]c4ccccc34)ncnc12,0,0,0,0
COC(=O)c1ccc(Nc2nc(Nc3cc(C)[nH]n3)cc(N3CCOCC3)n2)cc1,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)O)cc3)cc2n(CCC)c1=O,0,0,0,0
C(=N/Nc1nc2ccccc2s1)\c1ccc2c(c1)OCO2,0,1,0,0
CO[C@H]1[C@@H](OC)C[C@H](C)CC2=C(NCCN3CCC3)C(=O)C=C(NC(=O)/C(C)=C/C=C\[C@H](OC)[C@@H](OC(N)=O)/C(C)=C/[C@@H]1C)C2=O,0,0,0,0
Cn1c(SCCS(=O)(=O)c2ccc(OC(F)(F)F)cc2)nnc1C(F)(F)F,0,0,0,0
CN1C(=CC(=O)C[n+]2cccc(Br)c2)C(C)(C)c2ccccc21,1,0,0,0
Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCC(F)(F)C4)nn3C)nn12,0,0,0,0
N#Cc1ccc(-c2nccnc2OC2CC(Nc3ccc4ccccc4n3)C2)cn1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2ccccc2)c[nH]1,0,0,0,0
Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(C(F)(F)F)c1,0,0,0,0
CC1=C(N2CCC3(CCN(CC(NC4CC4)c4ccc5c(c4C)COC5=O)CC3)C2=O)COC1=O,0,0,0,0
O=C(c1ccccc1)N1CCN(C2CC(=O)N(CCc3ccccc3)C2=O)CC1,0,0,0,0
COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4cc(C)on4)c4ccccc43)CC2)C(C)C)c1,0,0,0,0
COc1cc(CNCc2ccccn2)ccc1OCc1cccc(Cl)c1,1,0,0,0
Cc1ccccc1NC(=S)NCc1ccc2c(c1)cc(C)n2C,1,0,0,0
C/C(=N\NC(=O)c1cccc(Br)c1)c1ccccn1,0,1,0,0
CCn1nc(C)cc1CCOC(=O)N1CCc2ncsc2C1c1cc(Cl)ccc1OCC(=O)O,0,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3ccc(F)c(F)c3)ccc21,0,0,0,0
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cn(C)c2ccccc12,0,1,0,0
COc1ccc(F)cc1C(C)(C)Sc1ccc(F)c(-n2c(=O)[nH]c3csc(C(=O)O)c3c2=O)c1,0,0,0,0
CS(=O)(=O)Nc1ccc2ccc3ncc(Cl)cc3c(=O)c2c1,0,0,0,0
Cc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])cc1C,0,0,0,0
Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4CCO)cn1,0,0,0,0
CC1c2[nH]c3ccccc3c2CC2C(=O)N(CCCO)CC(=O)N21,0,0,0,0
CCOC(=O)C(C)n1cnc2sc(C)c(C)c2c1=O,0,0,0,0
CCNC(=S)NNC(=O)c1csc2c1CCC(C)C2,0,0,0,0
CCc1ccc(-c2csc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c23)cc1,0,0,0,0
CC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O,0,0,0,0
N#Cc1ccccc1NC(=O)C1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
Cc1cc(N=S2(=O)CC(C)(C)C2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC(F)(F)F)c12,0,0,0,0
O=C(O)CC1SC(=NN=CC=Cc2ccccc2[N+](=O)[O-])NC1=O,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1nc2cncnc2n(C2CC2)c1=O,0,0,0,0
O=c1[nH]c2ccc(-c3ccncc3)cc2c(OCc2ccccn2)c1-c1cccs1,0,0,0,0
Cc1ccccc1-n1nc(-c2ccc(N)cc2)cc1N,0,0,0,0
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NCCc4ccccc4)c(=O)c3c2)c1,1,0,0,0
O=C(NC(=S)Nc1ccccc1)c1cccs1,0,1,0,0
NC1=NCC(Cc2ccccc2)N1CCc1cc(C(F)(F)F)cc(C(F)(F)F)c1,1,0,0,0
CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1ncc3ccccc3n1)c(=O)n2C,0,0,0,0
Cn1ncc2c1ncn1nc(COc3ccc4ccccc4c3)nc21,0,0,0,0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCOCC1,0,0,0,0
CC(=O)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
CC(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1,0,0,0,0
Cc1ncoc1-c1nnc(SCCCN[C@@H]2CC[C@]3(c4ccc(C(F)(F)F)cc4)CC23)n1C,0,0,0,0
CCOCCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1,0,0,0,0
CCCC1Cc2c(sc(NC(=S)NC(=O)c3ccccc3)c2C#N)CO1,1,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2cccc(Cl)c2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(F)cc3)c(F)c2)CC1,0,0,0,0
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CC(c3ccc(OC)c(OC)c3)C2)C1c1coc2ccccc2c1=O,1,0,0,0
COCCNc1nc(-c2ccccc2C)nc2ccccc12,0,0,0,0
O=C(OCC1CCCO1)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1ccccc1S2(=O)=O,0,0,0,0
CS(=O)(=O)c1ccc(-c2cccn3nc(Nc4cnn(C5CCNCC5)c4)nc23)cc1,0,0,0,0
COc1ccc(-c2cc3ccccc3[nH]2)cc1,0,1,0,0
CCCCC1(N(C)C)CCC(NC)(c2ccccc2)CC1,0,0,0,0
Clc1ccc2[nH]c(-c3ccccc3)cc2c1,1,1,0,0
Cc1nc(-c2ccc(S(=O)(=O)Oc3ccc(Cl)cc3Cl)s2)cs1,0,0,0,0
C=CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
CCCc1cc(=O)oc2cc(OCc3ccc(C(=O)O)cc3)ccc12,0,0,0,0
COc1cccc(CN2CCN(Cc3ccc(OC)c(OC)c3)CC2CCO)c1,0,0,0,0
CCOC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)c(OC)c1,0,0,0,0
Cc1c(NS(=O)(=O)c2ccc(-c3cccc(CN(C)C)c3)cc2)c(CCc2ccccc2)nn1C,0,0,0,0
O=C(O)Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CC[C@@H](Nc1ccc(C)c(CN(C)CCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1,0,0,0,0
COc1cc2c(cc1OC)[C@@H]1Cc3ccc(O)c(OC)c3CN1CC2,0,0,0,0
COc1cccc2cc3c(c(OC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)c12)C(C)OC3=O,0,0,1,0
COc1cc(NC(=O)CN2CCN(c3ccccc3)CC2)c(C)cc1[N+](=O)[O-],1,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C(C)(C)C)cc1,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)c1,0,0,0,0
CCc1cc2c(N3CCN(C)CC3)ncnc2s1,0,0,0,0
Cc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1C,0,0,0,0
Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2cc(F)cc(F)c2)n1,0,0,0,0
COc1ccc(OC)c(C2C(C(=O)c3cccs3)=C(O)C(=O)N2CCN(C)C)c1,0,0,0,0
CCOCCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
O=S(=O)(Nc1ccncn1)c1ccc(Oc2ccc(Cl)cc2C2CCNCC2)c(Cl)c1,0,0,0,0
C[C@]1(C#N)CC[C@H](O)C[C@@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
Cc1ccc2c(O)c(C)c(=O)[nH]c2n1,0,0,0,0
Oc1ccc(/C=N/NC2=NCCCCC2)c(O)c1,0,1,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1,0,0,0,0
Cc1nc(N)cc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,0,0,0,0
Cc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Br)c3)OC2=S)cc1,0,0,0,0
COc1ccc2c(=O)cc(-c3ccccc3)n(C)c2c1,0,0,0,0
COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C)cc3)N3CCC[C@@]23C1=O,0,0,0,0
COc1ccc([C@H](O)C[C@@H]2c3cc(OC)c(OC)cc3CCN2C)cc1,0,0,0,1
C/C(=N/OC(=O)CC(C)C)c1cc(-c2ccc(Cl)cc2)no1,0,0,0,0
Cc1nn(Cc2ccccc2)c(C)c1C=NNC(=O)CNc1cccc(C(F)(F)F)c1,1,0,0,0
O=C(O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)CCc1ccccc1,0,0,0,0
Cc1nn(-c2nc3ccccc3s2)c(N)c1-c1ccc(Cl)cc1,1,1,0,0
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,0,0,0,0
COc1ccccc1N1CCN(c2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)CC1,0,0,0,0
COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(OC)nc21,1,0,0,0
CCc1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,0,0,0,0
[C-]#[N+]c1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1c(C)cc(C)cc1C,0,0,0,0
O=C1NC(=S)NC1=Cc1cccnc1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(-c2ccccc2C(F)(F)F)cc1,0,0,0,0
CCCOc1ccccc1C1NC(=O)NC(C)=C1C(=O)OCCOC(C)C,0,0,0,0
O=C(O)CCNC(=O)c1ccc(C(Nc2ccc(-n3cnc(C(F)(F)F)c3)nc2)C(F)(F)F)cc1,0,0,0,0
NCCc1cc2cc[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12,0,0,0,0
C[C@H]1O[C@@H](n2cc(I)c3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN)CC2,0,0,0,0
CC(=O)Nc1cccc(-n2nnc(SCC(N)=O)n2)c1,1,0,0,0
COc1ccc2c(c1)C1(CCC2)CCN(Cc2ccccc2)CC1,0,0,0,0
Cn1cc(-c2ccc(-c3cncc(Cl)c3N3CCC4(CC3)NC(=O)NC4=O)cc2)cn1,0,0,0,0
Oc1ccc([C@H](O)[C@@H]2CCCCN2)cc1O,0,0,0,0
CCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1CC,0,0,0,0
CCCC(=O)Nc1nnc(Cc2ccccc2)s1,0,0,0,0
COc1ccc(-n2c(C)cc(C)c(C(C)=O)c2=S)cc1,0,0,0,0
CC(C)(N)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O,0,0,0,0
N#Cc1cccnc1N1CCC(C(N)=O)CC1,0,0,0,0
CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2N)cc1,0,0,1,0
CCOC(=O)CNC(=O)CN1C(=O)CC(c2ccco2)Sc2ccccc21,0,0,0,0
Cc1cc(O)cc(-c2nn(C)cc2-c2cc(N3CC(O)C3)nc(-c3cccnc3)n2)c1,0,0,0,0
Cc1coc2c(C)c3oc(=O)c(CCC(=O)NC(C)C(=O)NC(Cc4ccccc4)C(=O)O)c(C)c3cc12,0,0,0,1
CCOc1ccc(NN=C(C(C)=O)C(=S)Nc2ccccc2)cc1,0,0,0,0
COc1cc(C)c(-c2ccc(C(=O)O)cc2C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
CCOC(=O)CSc1nc(C)nc2c1sc1nc(C)c(C(C)=O)c(-c3ccc(OC)cc3)c12,0,0,0,0
Oc1cccc(-c2ccc(-c3ccc(O)c(F)c3)cc2)c1,0,0,0,0
COc1cc(NC(=O)c2cnc(N)s2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,0,1,0,0
NC(=O)c1ccc2nc(-c3ccc(OCCC4CCNCC4)cc3)[nH]c2c1,0,0,0,0
CC1CC(=O)NN=C1c1ccc2nc(-c3cccc(C#N)c3)oc2c1,0,0,0,0
CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2ccc(N3CCCCC3)c(C(F)(F)F)c2)n1,0,0,0,0
O=S(=O)(c1ccccc1)n1ccc2c(N3CCN(CCCCOc4ccccc4)CC3)cccc21,0,0,0,0
COc1ccc(C=C2C(=O)C(C)(C(C)C)CCC2C)cc1,0,0,0,0
Cc1c(-c2cn(C(C)C)c(=O)c3c2CCCC3)c2cc(F)ccc2n1CC(=O)O,0,0,0,0
COc1ccc(-c2c(C(=O)O)nc3ccccc3c2C(=O)O)cc1,0,0,0,0
O=C(Nc1nccs1)c1ccc(-c2ccc(F)cc2)o1,0,1,0,0
Fc1ccccc1OCCCCCN1CCCC1,0,0,0,0
Nc1[nH]ncc1S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5cccc(F)c5)CC4)c23)cc1,0,0,0,0
CC(C)c1ccc(/C=C/c2nc(NCCCN(C)C)c3ccccc3n2)cc1,0,0,1,0
CCOC(=O)CSc1nc2c(sc(=S)n2-c2ccccc2OC)c(=O)n1Cc1ccco1,0,0,0,0
CC(C)c1nc2n[nH]c(N)c2c2c1CCC2,0,0,0,0
COc1ccc(-c2cnc3cc(OC)c(OC)cc3c2)cc1F,0,0,0,0
COc1ncc2nc(-c3ccccc3)c(=O)n(CCC#N)c2n1,0,0,0,0
Cc1cccc(F)c1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)cc1,0,0,0,0
COc1ccc(N2C(=O)/C(=C/c3cc(F)c(O)c(F)c3)OC2=S)cc1,0,0,0,0
CCOC1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O,0,0,0,0
COc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCC(C)CC2)c1,1,0,0,0
O=C(O)c1cccc(NC2=Nc3cccc4cccc2c34)c1,0,1,0,0
CCCCOC(=O)Nc1ccccc1C(=O)N1CCCC1,0,0,0,0
CCCC(=O)Oc1c(Sc2ccc(C)cc2)c(C)nn1-c1ccccc1,0,0,0,0
CC(C)(C)C(=O)C(Oc1cccc2nonc12)n1cncn1,0,0,0,0
COc1ccccc1CCNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O,0,0,0,0
Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(CCCN2CCN(C)CC2)cc1Cl,0,0,0,0
CC(C)c1ccc(/C=C/c2ccc(=O)n(C)n2)cc1,0,1,0,0
CN(C)c1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)cc1,0,0,0,0
O=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccnc1,0,0,0,0
Cn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0,0,0
COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1,0,0,0,0
CC1=C2C(=O)NC(N)N=C2N(CC(C)C)C=C1,0,0,0,0
O=C(N/N=C/c1cccc2ccccc12)c1ccc(CN2CCOCC2)cc1,0,1,0,0
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=O)CCC(=O)O,0,1,0,0
COc1ccc(-c2noc(-c3nnn(-c4ccc(C)cc4C)c3C)n2)cc1,0,0,0,0
COCCn1c(=S)[nH]c2ccc(N(C)C)cc2c1=O,0,0,0,0
CC(C)(C)C(=O)N(Cc1ccc2nc3c(cc2c1)C[C@@]1(C3)C(=O)Nc2ncccc21)C[C@@H]1CCc2ccccc21,0,0,0,0
O=C1C=CC(=O)c2c(OCc3ccccc3)cccc21,0,0,1,0
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2/C=N/O)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCC(NCCO)CC1,0,0,0,0
CC(CN1CCCC1)OC(=O)c1ccc(F)cc1,0,0,0,0
NC1=NC(=O)CC(C(=O)Nc2cccc3ccccc23)S1,0,0,0,0
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n1cncn1,0,0,0,0
CC1(OC(=O)CCc2ccccc2)C(=O)C=C2C=C(C3CC3)OC=C2C1=O,0,0,0,1
COc1ccc(C(=O)C=Cc2cn(CC(O)CN3CCN(C)CC3)c3ccccc23)cc1OC,1,0,0,0
CC(C)(C)C(=O)N1CCN(c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2C#N)CC1,0,0,0,0
OCCC1CN(Cc2nc3ccccc3s2)CCN1C1CCCC1,0,0,0,0
CCOc1ccc(NC(c2ccccc2)P(=O)(OC)OC)cc1,0,0,0,0
Cc1sc2nc(CN3CCOCC3)nc(N3CCN(S(=O)(=O)c4ccccc4)CC3)c2c1C,1,0,0,0
CCOC(=O)C1CCCN(C(=O)c2ccco2)C1,0,0,0,0
Cc1cnc2c(NCCN)nc3cc(-c4ncc[nH]4)sc3n12,0,0,0,0
COc1ccc(N2C(=Cc3cc(=O)[nH]c(=O)[nH]3)NN=C2SCC(=O)N2CCC(C)CC2)cc1,1,0,0,0
CS(=O)(=O)c1cc(C#N)ccc1[C@H]1C2=C(CCC2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1CC1COC1,0,0,0,0
CNC(=O)c1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1F,0,0,0,0
CCN(Cc1ccccc1)C(=O)Cn1c(=O)cc(C)c2c(C)nn(-c3cccc(F)c3)c21,1,0,0,0
CN1C(=S)CC[C@]2(C)c3ccc(Cl)cc3CC[C@@H]12,0,0,0,0
Nc1nc(-n2ncc3ccccc32)nc(NCC2CC2)c1Br,0,0,0,0
O=C(c1ccc(COc2ccccc2Br)cc1)N1CCCCCC1,1,0,0,0
CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C(=O)N1CCC(N)CC1,0,0,0,0
Cn1cncc1C(OCc1ccc(C#N)cc1-c1cc(F)cc(F)c1)c1ccc(C#N)nc1,0,0,0,0
O=C1c2ccccc2C(=O)N1CCOc1ccccc1Br,0,1,0,0
CC(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
CC(C)n1cc(-c2cnc3[nH]cc(-c4cc(N(C)c5ccccc5Cl)nc(N)n4)c3c2)cn1,0,0,0,0
O=C(c1c[nH]c2ccccc12)N1CCOCC1,0,0,0,0
O=C1COc2ccc(S(=O)(=O)CCC(=O)NC3CCCCC3)cc2N1,0,0,0,0
CN([C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1)S(C)(=O)=O,0,0,0,0
C=CC(=O)NCCNC(=O)c1sc2nccc3c2c1NC(=O)N3c1ccc(Oc2ccccc2)cc1C,0,0,1,0
CC(C)Oc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccc(F)cc1,0,0,0,0
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc2oc(C3CC3)nc2c1,0,0,0,0
CC(C)Cn1c(N)c(C(=O)COC(=O)c2nccnc2N)c(=O)n(C)c1=O,0,0,0,0
O=C1C=C(NCCN2CCOCC2)c2ccccc2C1=O,0,0,1,0
Cc1cc(NC[C@H](C)NS(=O)(=O)C(C)C)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1,0,0,0,0
CCc1ccc(C2C(C(=O)Nc3ccccc3OC)=C(C)Nc3c(C(=O)Nc4ccc(C)cc4)cnn32)cc1,1,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCCN(C)C,0,0,0,0
NC(=O)C1CCN(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)CC1,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)C(C)C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
CCNC(=S)NNC(=O)Cn1c(=O)c2c(ncn2CCOC)n(Cc2ccccc2)c1=O,0,0,0,0
COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1ccccc1Cl,1,0,0,0
Cc1cccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n12,1,0,0,0
Cc1nc2c(/C=C/C(=O)NO)cccc2c(=O)n1-c1ccccc1,0,0,0,0
O=C1CCC(=O)N1CCOc1ccc([C@@H]2Oc3cc(O)ccc3C3=C2c2ccc(O)cc2OCC3)cc1,0,0,0,0
CCn1nc(CC(C)C)cc1C(=O)N1CCCC(Nc2ccc(OC)cc2)C1,1,0,0,0
Nc1noc2ccc(-c3cc(Cl)ccc3Oc3cc(F)c(S(=O)(=O)Nc4ncccn4)cc3F)cc12,0,0,0,0
CN1CC(C)(C)N=C1c1cccc(Oc2cc(C(=O)O)cc(Oc3cc(C(=N)N)ccc3O)n2)c1,0,0,0,0
O=C1Nc2c(Cl)cccc2C2(CCCCC2)N1,0,0,0,0
Cn1cnc(-c2nc(N)c3cc(Cc4ccccc4)sc3n2)c1,0,0,0,0
Cc1cnc(-c2ccc(F)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
O=C(Oc1ccc2ccc(=O)oc2c1)c1ccco1,0,0,0,0
COC(=O)c1cc(C(=O)OC)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1cc(C)c2c(c1)c(C)cc1nnc(SCc3ccccc3C#N)n12,0,0,0,0
CC(C)[C@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O,0,0,0,1
COc1cc(CN(CCO)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
CC(=O)Oc1ccccc1C=C1CCOC1=O,0,0,0,0
CC(C)C1(c2cc(Cl)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O,0,0,0,0
CCCC1CC(c2ccc3nc(-c4ccccc4)oc3c2)=NNC1=O,0,0,0,0
Cc1ccc(-c2nc3ccccc3n3c(C)nnc23)cc1,0,0,0,0
O=S(=O)(NCCC1=CCCCC1)c1ccc(Br)cc1,0,0,0,0
CCc1noc(C)c1C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C,1,0,0,0
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc(NCCc3ccccc3)c3ccccc23)CC1,0,0,0,0
CCc1nc(C)c2c(NC(C)=O)nc3ccc(OC)nc3n12,0,0,0,0
Cc1cc(-c2ccccc2)n2nc(-c3cccc(Br)c3)cc2n1,1,0,0,0
O=C1CCN(Cc2ccccc2F)CC1C(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CC(C)CN1C[C@@H](c2ccc(C#N)cc2)[C@]2(C1)C(=O)N(c1cc(Cl)cc(Cl)c1)C(=O)N2C,0,0,0,0
Cn1c(=O)c(-c2ccc(F)cc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
CCCCN(CC)CCCNC(=O)CCN1N=C(c2ccc(OC)cc2)CCC1=O,0,0,0,0
CN(Nc1nc2c(c(=O)n1N(C)C)CN(C(=O)c1c(F)cc(F)cc1F)CC2)c1ccc(C(F)(F)F)cc1,0,0,0,0
Clc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1,0,0,0,0
CCCCCCCC/C=C\CCCCCCCCN1C(=O)C=CC1=O,0,0,1,0
N#Cc1cc(-c2ccnc(Nc3cnn(C4CNC4)c3)c2)ccc1OC1CCOCC1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)c(C)c1,0,0,0,0
COc1ccc(C2=NN(CCCCCNCC(O)c3ccc(O)c(CO)c3)C(=O)C3CCCCC23)cc1OC,0,0,0,0
CC(C)(C)NC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,1,0,0,0
Cc1ncc(CO)c(/C=N/NC(=S)Nc2ccc(Cl)c(Cl)c2)c1O,0,0,0,0
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2cccs2)nc1,0,0,0,0
O=C(CCCN1C(=O)c2ccccc2C1=O)OC1CSCC1NC(=O)c1ccccc1,1,0,0,0
Cc1c(C(=O)NCCN(C)C)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,0,0,0,0
COc1cccc(C(=O)OCC(=O)c2ccc(Br)s2)c1OC,0,1,0,0
COc1ccc(/C=C/C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
CCOC(=O)c1csc(NNC=O)n1,0,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3ccccc3C)CC2)c1,0,0,0,0
COc1cc(C(=O)N2CCN(C)CC2)ccc1Nc1ncc2ccnc(NCC(C)(C)OC)c2n1,0,0,0,0
CC(C)(C)OC(=O)N1CCN(c2ncc(OCc3ccc(S(C)(=O)=O)cc3)cn2)C(C)(C)C1,0,0,0,0
COc1cc(CCc2cc(Nc3ncnc4cc(N5CCNC(C)(C)C5)ccc34)n[nH]2)cc(OC)c1,0,0,0,0
C=C1C(C(C)=O)=[N+](O)c2cc(C)ccc2N1O,1,0,0,0
Cn1c(=O)c2c(nc(N3CCCCC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,1,0,0,0
CC(=O)c1ccc2noc(-c3ccc(C)cc3)c2c1,0,0,0,0
Cc1ccc(-c2nnc(Cc3ccccc3)[nH]2)cc1,0,0,0,0
C[N+]1(C)C2CCC1CC(OC(=O)c1ccccc1)C2,0,0,0,0
CCOC(=O)C1(CC2CC2)CCN(Cc2cn[nH]c2-c2cccc(F)c2)CC1,0,0,0,0
COc1ccc(-c2nnc(C(=O)N3CC(Oc4ccc(CN5CC6(CCCO6)C5)cc4)C3)o2)cc1,0,0,0,0
O=S(=O)(c1ccc(F)c(F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
C/C(=N\NC(=O)c1cc2ccccc2cc1O)c1ccc(C)o1,1,1,0,0
c1ccc(Nc2ccccn2)nc1,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,0,0,0,0
Cc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2C)c1,0,0,0,0
COC(=O)C(OC(C)=O)C1C(C)(C)C(=O)C2CC3=C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,0,0,0,0
CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCN(C)C,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCc3ncnn3C)c(C(=O)O)c2)c1,0,0,0,0
C[C@H](Nc1nc(Nc2cn(C)cn2)c2cc(F)cnc2n1)c1ncc(F)cn1,0,0,0,0
CCOC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N,1,0,0,0
O=S(=O)(Nc1nccs1)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,0,0,0
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)CP(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)n1,0,0,0,0
COc1cccc(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c1,1,0,0,0
CC[C@H](C)[C@H](NC(=O)CC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1,0,0,0,1
CCNc1nc(-c2ccco2)c2sccc2n1,0,0,0,0
CCOc1ccccc1CN1CCN(S(C)(=O)=O)CC1,0,0,0,0
CC(=O)c1cccc(CN2CCN(Cc3ccc(C)cc3)C(CCO)C2)c1,0,0,0,0
CN(C)CCC(=O)Nc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
O=C(NCCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1,0,0,1,0
C=CCCC(=O)C1=CCCC(C)(C)C1,0,0,1,0
COc1ccccc1CNC(=O)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O,0,0,0,0
Clc1cccc(-c2ccc(C=Nn3cnnc3)o2)c1,1,0,0,0
CCN(CC)c1ccc(C2=NNC(=O)CC2C)cc1[N+](=O)[O-],0,0,0,0
Cc1ccc(-c2nnc(N(N=C(S)C(=O)Nc3ccccc3)c3ccccc3)n2-c2ccccc2)cc1,1,0,0,0
COc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1NC=C1C(=O)N(C)C(=O)C(C#N)=C1C,0,0,0,0
COc1ccc2c(=O)c3c(=O)n(-c4ccc(C)cc4)c(-c4ccccc4)nc3oc2c1,0,0,0,0
CCn1c(COc2ccc3c(c2)OCO3)nnc1SCC(=O)O,0,0,0,0
C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c(=O)c(C#N)cn1c23,0,0,0,0
CC[C@H](C)[C@H](C(=O)O)N1C[C@H](CN2CCC(c3cc(Cc4ccc(S(=O)(=O)c5ccccc5)cc4)nn3CC)CC2)[C@@H](c2cccc(F)c2)C1,0,0,0,0
Cc1nc(N2CCC(C)CC2)c2c(C)c(C(=O)O)sc2n1,0,0,0,0
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccc(C(F)(F)F)cc4F)C3C2)n1C,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)F)cc3)n2)CCC(N)CC1,0,0,0,0
CC(=O)N1CCCn2nc(COc3cccc(F)c3)cc21,0,0,0,0
Cn1c(=O)c2c(nc(Oc3cccc(Br)c3)n2C)n(C)c1=O,0,0,0,0
CCOC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCN1CCCC1,0,0,0,0
Cc1cc(C(=O)CN2C(=O)NC3(CCCCC3C)C2=O)c(C)n1Cc1cccs1,1,1,0,0
c1ccc(C2CC(c3ccccc3)n3c(nc4ccccc43)N2)cc1,1,0,0,0
O=C1N=CC=C2N=C(c3ccc(CN4CCC(c5nc(-c6ccccn6)n[nH]5)CC4)cc3)C(c3ccccc3)=CC12,0,0,0,0
Cc1cc(OC(=O)N2CCCCC2)c(C(C)C)cc1[N+](C)(C)C,0,0,0,0
CCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,0,0,0,0
CCOC(=O)N1CCN(Cc2ccccc2F)CC1,0,0,0,0
CC(C)(C)NC(=O)C1(C)CCCC2(C)C3CCC4(C)CC3(CCC12)CC4=O,1,0,0,0
c1cc2c(cc1CN1CCNCC1)OCO2,0,0,0,0
CC(C)(O)COc1ncc(C(F)(F)F)cc1-c1ccc(S(C)(=O)=O)cc1,0,0,0,0
CN(CCOc1ccc(Br)cc1)CC(O)COc1ccc(C#N)cc1,1,0,0,0
COc1cc(Nc2cc(C)nc3ncnn23)cc(OC)c1,0,0,0,0
Cc1cc(-c2c(C3=CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1,0,0,0,0
CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN4CCCCC4CC)CC3)s2)cc1,1,0,0,0
CCOc1cccc(Cl)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O,0,0,0,0
Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2cccnc2)CC2CC2)c1,0,0,0,0
COc1ccc(CN2CCC(=O)NC2=O)cc1,0,0,0,0
O=c1cc(N2CCOCC2)nc2n(Cc3ccc(Cl)c(Cl)c3)ccn12,0,0,0,0
CC(=O)C1(Cc2ccccc2C)C(=O)Oc2ccc3ccccc3c2N1C,0,0,0,0
CCN(CC)C1CCN(C(=O)c2ccc(OC3CCN(C(=O)CCOC)CC3)cc2)C1,0,0,0,0
Cc1ccc(/C=N/NC(=O)c2ccccn2)o1,0,1,0,0
CC(C)Cn1c(-c2ccc(F)cc2)n[nH]c1=S,0,0,0,0
Cc1ccc2nc(-c3ccncc3)[nH]c2c1,0,1,0,0
Cc1ccncc1-c1cccc2c1ncn2-c1cccc(C(F)(F)F)n1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2c(Cl)cccc2Cl)CC1,0,0,0,0
Cc1ccc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc1,0,0,0,0
Cc1cc(/C=C(/C#N)c2cccc(F)c2)c(C)n1-c1cccnc1,0,1,0,0
CCC(CN1CCCS1(=O)=O)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
CN1CCC(c2ccc(Nc3nc4c(NCc5cccc(S(C)(=O)=O)c5)cccn4n3)cc2)CC1,0,0,0,0
COc1ccc(C(=O)OCC2(CO)C/C(=C\c3ccccn3)C(=O)O2)cc1,0,0,0,0
COc1ccc(OC)c(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)c1,0,0,0,0
O=C1OCc2ccc(OCCCc3ccccc3)cc21,0,0,0,0
Nc1[nH]nc2nnc(-c3ccccc3)cc12,0,0,0,0
CCN(CC)c1ccc(/C=N/N2CCOCC2)c(O)c1,0,1,0,0
CN1CCN(Cc2ccc(-c3ccccc3)cc2)[C@@H](CCO)C1,0,0,0,0
C[C@@H]1CN(CC(F)(F)F)CCN1c1cc2nc(SC(C)(C)C)[nH]c2cc1Cl,0,0,0,0
Cc1ccc(-c2cnc(NCc3ccc(C(C)C)cc3)n2C)cc1,0,0,0,0
Cc1ccc(-c2ccn(-c3ccc4c5c(n(C)c4c3)CCN3CCCC53)c(=O)c2)cn1,0,0,0,0
COC(=O)N[C@H]1CN(c2cc(C(F)F)cc(Nc3nc(NC4CC4)c4ncc(C#N)n4n3)c2Cl)C[C@H]1OC,0,0,0,0
O=C(C=Cc1cccc([N+](=O)[O-])c1)NCC1CCCO1,1,0,0,0
Cc1ccc(-c2ccc(C3C4C=CCC(C)C4C(=O)N3Cc3ccccc3)c(F)c2)cc1,0,0,0,0
O=C(c1ccccc1)N1CCC(O)(c2cccnc2)CC1,0,0,0,0
CSc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
O=C1N[C@H](c2cccc(C#Cc3ccccc3)c2)[C@@H](c2cccc(F)c2)O1,0,0,0,0
CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
Cc1nn(-c2ccccc2)c(N)c1Sc1ccccc1[N+](=O)[O-],0,0,0,0
Cc1cc(C)[n+](-c2ccn[nH]2)c(-c2ccccc2)c1,0,0,0,0
Fc1ccc(/C=N/NC(=S)Nc2ccc(Cl)cc2)cc1F,1,0,0,0
CC1(C)Oc2cccc(CN3CCC4(CC3)CCN(C(=O)c3ccnc(N)c3)CC4)c2O1,0,0,0,0
CCn1nc(C)cc1Nc1ccccc1,1,0,0,0
CC(C)N(C)CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C,0,0,0,0
Nc1nc(-c2cccs2)cs1,0,0,0,0
COCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(OC)nc21,0,0,0,0
COc1ccc(S(=O)(=O)NCc2ccncc2)cc1OC,0,0,0,0
O=c1ccc(-c2ccc([N+](=O)[O-])cc2)nn1-c1ccccc1,0,0,0,0
COc1ccc(-c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4n3C)cc2)cc1,0,0,0,0
CC(C)Nc1nccc(-c2cc3n(c2)CCN(Cc2ccccc2)C3=O)n1,0,0,0,0
O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1Cl,0,0,0,0
O=C(NCCc1ccccn1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12,0,1,0,0
COc1ccccc1N1CCN(CCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,1,0,0,0
C=C(C)Cn1c[n+](Cc2ccccc2)c2ccccc21,0,0,0,0
FC(F)(F)c1cc(C(F)(F)F)c2ccc3nc(-c4nnco4)cn3c2n1,0,0,0,0
Clc1ccc2c(N3CCCC3)cc[n+](Cc3ccc(CCc4ccc(C[n+]5ccc(N6CCCC6)c6ccc(Cl)cc65)cc4)cc3)c2c1,0,0,0,0
CSc1ccc(C2CN(C)Cc3cc(Oc4ccnc(CN5CCCCC5)c4)ccc32)cc1,0,0,0,0
Cc1nnc(CN(C)Cc2c[nH]nc2-c2ccc(-c3ccccc3)cc2)o1,1,0,0,0
COc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1,1,1,0,0
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3CC[C@H](O)C=C3Br)cc2)cc1,0,0,0,0
Cc1cccc(CSc2nc(=O)c3c(n2C)NC(=O)CC3c2cc(F)cc(F)c2)c1,0,0,0,0
CCn1c(C)cc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c1C,1,0,0,0
Cc1cccc(-c2ccc(/C=C/[C@H]3[C@@H]4CCCC[C@H]4C[C@H]4C(=O)O[C@H](C)[C@@H]34)nc2)c1,0,0,0,0
Cc1ccc2ccc(-c3nn(C(C)C)c4ncnc(N)c34)cc2n1,0,0,0,1
N#Cc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
Cc1ccccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,0,0,0
COCCn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0,0,0
COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)c(OC)c1OC,0,0,0,0
Cc1cc(-c2ccc(OCC(C)(C)C(=O)O)nc2)ccc1-c1ncc(C(F)(F)F)[nH]1,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(C(=O)O)C(O)CC(=O)O)cc1,0,0,0,0
O=C1C(Cl)=C(N2CCN(CCOCCO)CC2)C(=O)N1c1ccc(Cl)c(Cl)c1,0,0,0,0
O=c1cc(-c2ccccc2)[nH]c2ccc(F)cc12,0,0,0,0
CCOc1cc(/C=C2/C(=O)ON=C2C)cc(Br)c1O,0,1,0,0
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(=O)NCC(C)(C)O)cc1,0,0,0,0
CC[C@]12CC[C@H]3[C@@H]([C@H](C4CC4)CC4=CC(=O)CC[C@@H]43)[C@@H]1CC[C@@]21C=CCO1,0,0,0,0
O=C(CCCCCN1C(=O)c2ccccc2Cc2ccccc21)NO,0,0,0,1
COc1cc(C=NNC(=S)Nc2cccc(C(=O)O)c2)ccc1O,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(Cc3nc4ccccc4n3C)CC2)cc1,1,0,0,0
N#Cc1cc(Nc2nc(NC3CC3)c3ncc(C#N)n3n2)c(Cl)c(N2CCC(O)C2)c1,0,0,0,0
COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)c(OC)c1,0,1,0,0
O=C1C(c2ccc(F)cc2)=COC12CCN(CC1CCCCC1)CC2,0,0,0,0
O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc4c(c3)OCCO4)cc(-c3ccc4c(c3)OCCO4)c2)c1CCC(=O)O,0,0,0,0
CC(=O)c1nc(OCCCN2CCCCC2)sc1C,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl,0,0,0,0
CC(C)C1(C)NC(c2nc3ccccc3cc2C(=O)O)=NC1=O,0,0,0,0
[C-]#[N+][C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(/C=N/OC)cc2)n1,0,0,0,0
CCCCOC(=O)NS(=O)(=O)c1ccc(CC(C)C)cc1-c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1,0,0,0,0
CNS(=O)(=O)c1ccc(OCC(F)(F)F)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)C(CF)NCC3,0,0,0,0
CC1=C(C(=O)OCc2ccccc2)C(c2cccc(Cl)c2Cl)CC(=O)N1,0,0,0,0
Cc1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,0,0,0,0
Cc1cc(C=C(C#N)C#N)ccc1N1CCCC1,0,0,0,0
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N(Cc2ccccc2)Cc2ccn[nH]2)cc1,0,0,0,0
COc1cc(/C=N/N2C(=O)CSC2=S)cc(Br)c1O,0,0,0,0
Cc1cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl,0,0,0,0
CCN1C(=O)N(CC)C2NC(=S)NC21,0,0,0,0
CC(c1ccc2c3c(c(=O)[nH]c2c1)CCCN3)N(C)C,0,0,0,0
Cc1ccc(NC(=O)[C@@H](C)n2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1,0,0,1,0
COc1cc(CCc2cc(Nc3ncnc4cc(N5C[C@@H](C)N(C)[C@@H](C)C5)ccc34)n[nH]2)cc(OC)c1,0,0,0,0
CCOC(=O)CCC(=O)N(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,0,0,0,0
Cc1ccc(NC(=O)C(C)OC(=O)c2cc(=O)[nH]c3ccccc23)cc1S(=O)(=O)N1CCOCC1,0,0,0,1
CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(CC)(C(=O)OC)c1ccccc1,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1,0,0,0,0
CC/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1,0,0,0,0
CC(C)c1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1,0,0,0,0
O=C1C(=O)N(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)CCN1Cc1ccc(F)cc1,0,0,0,0
O=C(NCC1CCCO1)c1ccc2nc(N3CCCCC3)sc2c1,0,1,0,0
OC1CN(C(=S)SSC(=S)N2CC(O)C2)C1,0,0,1,0
COC(=O)c1ccc(COc2ccccc2C=NNS(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
Cc1nc2cnc(OCc3ccccc3)nc2n(CCc2ccccc2)c1=O,1,0,0,0
CCOc1ccccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cc1ccnc(NC(=S)N2CC3CN(c4ncc(C(F)(F)F)cc4Cl)CC3C2)c1,0,0,0,0
COc1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1-n1cnnn1,0,0,0,0
Oc1cccc(-c2cc(N3CCOCC3)nc(NCCc3ccccn3)n2)c1,0,0,0,0
COc1cc2c(-c3cnc(N4CCC(O)(c5ccc(F)nc5)CC4)c(C)c3)cnnc2cc1OCCCF,0,0,0,0
Clc1ccc(OCc2nnc(SCCN3CCCCC3)n2Cc2ccco2)cc1,1,0,0,0
O=C1c2cc(OCCN3CCOCC3)ccc2COc2cc(Nc3ccc(F)cc3F)ccc21,0,0,0,0
O=C(O)CCCNC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
Cc1ccsc1C(=O)N1CCN(S(=O)(=O)c2cccs2)CC1,0,0,0,0
Fc1ccc(C=Nn2c(-c3cccs3)n[nH]c2=S)cc1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3nccs3)cc2)c1C,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(NCCS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
CCCCNc1nc(SC)nc2nc[nH]c12,0,0,0,0
NC(=O)CSc1nnc(CSc2ncccn2)n1-c1ccccc1,0,0,0,0
CNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,0,0,0,0
O=C(Oc1cn(-c2ccccc2)c(CSc2nc3ccccc3s2)cc1=O)c1ccccc1,0,0,0,0
O=C(O)C1(Sc2ccnc3ccccc23)CCC1,0,0,0,0
O=C(O)c1c[nH]c2cc(F)c(-c3ccc(OCCC4CCOC4)cc3)c(F)c12,0,0,0,1
Cc1cc(C)nc(N2CCC3(CCCN(Cc4nn(C)nc4-c4ccccc4)C3=O)CC2)n1,0,0,0,0
O=C1CC(c2ccccc2)C(C(=O)Nc2ccccc2F)N1,0,0,0,0
COc1ccc(C(=O)N(Cc2cc(-c3ccccc3)on2)C2CCCCC2)cc1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)NC(=O)CC2c1cc2c(cc1Br)OCO2,0,0,0,0
Cc1ccc2nc(NC(=O)CSCC(=O)OCC(=O)c3ccccc3)sc2c1,0,1,0,0
Nc1cc(=O)[nH]c(=S)n1-c1cccc(C(F)(F)F)c1,0,0,0,0
Cc1cc(Nc2cc(C(F)F)ccn2)nc(-c2ccc(C(C)(O)C3CCC(C(=O)OC(C)OC(=O)OC4CCCCC4)CC3)nc2)c1,0,0,0,0
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1,0,1,0,0
Cc1ccc(NC(=O)C(c2ccc(Cl)cc2)N2CCOCC2)cc1,1,0,0,0
O=[N+]([O-])c1ccc2c(c1)N([O-])C1(CCCCC1)[N+]2=O,0,1,0,0
C[C@H](N)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
c1ccc(-c2cccc(N3CCCC4(CCNCC4)C3)c2)cc1,1,0,0,0
CCC(C)S(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccccc1CN1CC2CC(c3cccc(C)c3)N3CCCC23C1=O,0,0,0,0
OC[C@H]1O[C@@H](n2cnc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@H]1O,0,0,0,0
CNc1ncc2ncnc(Nc3cccc(Br)c3)c2n1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2ccc(-c3cnc(C4CC4)o3)cc2)CC1,0,0,0,0
COc1cc2nccc(Oc3ccc(NC(=S)Nc4ccc(F)cc4)cc3)c2cc1OC,0,0,0,0
FC1(c2ccc(-n3ccnc3-c3ccc(-c4ccc(Cl)cc4)o3)cc2)CCNCC1,0,0,0,0
c1cc2c3c(c1)c1c(n3CCNC2)CCCCC1,0,0,0,0
COc1ccc(-n2c(=O)c(-c3ccc(F)cc3)nc3cnc(OC)nc32)cc1,0,0,0,0
O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccccc1F,1,0,0,0
CC(C)CC(Nc1ccc2ccccc2n1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
CNS(=O)(=O)c1ccc(O)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
CCC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1ccc(C(F)(F)F)cc1,0,0,0,0
CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(NC3(C(=O)O)CC3)c2C#N)cc1,0,0,0,0
Cc1ccccc1N1CCN(C2=NC(=O)/C(=C/c3cn[nH]c3-c3ccccc3)S2)CC1,0,0,0,0
CCC(=O)CN(c1ccc(Cl)cc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1,0,0,0,0
OC1(CCCc2cccnc2)CCN(C[C@H]2CN(CC3CCCCC3)C[C@@H]2c2ccccc2)CC1,0,0,0,0
Cc1cccc2c1-c1ccc(C(=O)NC(=N)N)cc1C2(C)O,0,0,0,0
CCOc1cc(/C=C2\N=C(C)OC2=O)cc(Br)c1OCC(=O)OC,0,0,0,0
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(C)(=O)=O)CC1,1,0,0,0
OC1(c2ccco2)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
Oc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
Oc1ccccc1CNc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cc1ccc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)nc1,0,1,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
CCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(CC)c(=O)c21,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(Br)ccc2Br)CC1,0,0,0,0
Cc1cc(O)cc(-c2c(-c3cc(N4CC(O)C4)nc(-c4cccnc4)n3)cnn2C)c1,0,0,0,0
NNC(=O)COc1ccc(-c2n[nH]c(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1,1,0,0,0
Cc1ccc(C)c(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2sccc23)c1,1,0,0,0
N#Cc1ccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)cc1,0,0,0,0
Cc1[nH]c2ccccc2c1/C=C/c1nc2ccccc2c(=O)n1-c1cccc([N+](=O)[O-])c1,1,0,0,0
CN(C)CC1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1,0,0,0,0
Oc1ccc(C(=S)N2CCCC2)cc1,0,0,0,0
O=C(c1ccc2ccccc2n1)N1CC[C@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21,0,0,0,0
CN1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1,0,0,0,0
CN1CCC(c2cc3c(-c4cccc(N(C)CCc5ccccc5)n4)ccnc3[nH]2)CC1,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)cc5)nc4=O)cc31)CCNCC2,0,0,0,0
CCCC(NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)O)c1ccccc1,0,0,1,0
C=C(C)CC1(C(C)=O)C(=O)Oc2ccc3ccccc3c2N1C,0,0,0,0
CC(=O)NCCNc1nc(-c2ccccc2)nc2nc(C(=O)N3CCN(CCCc4ccccc4)CC3)[nH]c12,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12,0,0,1,0
CC(=O)N1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1,0,0,0,0
Nc1ccccc1SCCS(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
COc1cc(/C=N/NC(=O)c2cccnc2)ccc1OS(=O)(=O)c1cc(C)ccc1C,1,0,0,0
COC(=O)c1ccc(CSc2nc3sc(C(=O)O)c(C)c3c(=O)[nH]2)cc1,0,0,0,0
COc1ccc(Cc2cc3ccccc3cc2-c2cncc3ccccc23)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cncc(F)c2)CC1,0,0,0,0
O=[N+]([O-])c1ccccc1-c1ccc(C=Nn2cnnc2)o1,1,0,0,0
COCCNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12,0,0,0,0
c1ccc2nc(-c3nc4ncccc4[nH]3)cnc2c1,0,0,0,0
Cc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])c(C)c1,0,0,0,0
O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(OCc3ccccc3)cc1)C1c3ccccc3[C@@H]2[n+]2ccccc21,0,0,0,0
CNC(C)c1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1cc(=O)c2c(O)c3c(O)cc(O)c4c5c(O)cc(O)c6c(O)c7c(=O)cc(C)c8c1c2c(c34)c(c65)c78,0,0,0,1
COc1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCCO)CC(=O)N32)cc1OC,1,0,0,0
COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ncccn3)CC2)cc1,1,0,0,0
CCC(c1nnnn1C(C)(C)C)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O,1,0,0,0
CCc1ccc2oc(C(=O)Nc3nc(-c4ccccc4)ns3)c(C)c2c1,0,1,0,0
COc1ccc(N2C(=O)CC(n3c(CCCCO)nc4ccccc43)C2=O)cc1,0,0,0,0
N#Cc1cc2ccccc2nc1SCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,1,0,0,0
CCN1C(=O)/C(=C2/C=Cc3cc(C)ccc3N2CC)N(C)C1=S,0,0,0,0
C[S+]([O-])c1ccccc1-c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@]3(O)CC[C@@H](C(=O)O)C(C)(C)C3)s2)c1,0,0,0,0
Cc1ccc(S(=O)(=O)Cc2nc(=O)c3ccccc3[nH]2)cc1,0,0,0,0
CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Br)cc1,1,0,0,0
CC(=O)NC1c2ccccc2-c2ccc(C(=O)NC(=N)N)cc21,0,0,0,0
COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Br,1,0,0,0
[C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CCC(NC[C@H](C)O)CC4)c3Cl)nn12,0,0,0,0
COc1cccc(C2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3c(C(=O)Nc4ccccc4)cnn32)c1OC,1,0,0,0
CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(F)cc12,0,0,1,0
O=C(O)Cn1c(SCc2cccc3ccccc23)nc2ccccc21,0,1,0,0
O=C(N/N=C/c1ccc(Br)s1)c1ccccn1,0,1,0,0
CN1C(=CC(=O)c2ccccc2Cl)c2ccccc2CC1(C)C,1,0,0,0
CC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1,1,0,0,0
Cc1ccc(S(=O)(=O)NC(=Nc2cccc(C)c2)Nc2nc(C)cc(C)n2)cc1,0,0,0,0
Oc1ccc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2c1,0,0,0,0
Nc1ncnc2c1ncn2[C@H]1CC[C@H](C(=O)NO)C1,0,0,0,0
N#Cc1cc(-c2ccccc2)nn1-c1ccccc1,0,0,0,1
NC1(c2ccc(-c3nc4ccc(-c5cnc[nH]5)cn4c3-c3ccccc3)cc2)CCC1,0,0,0,0
COc1cc(CNCc2ccccn2)ccc1OCc1ccccc1Cl,0,0,0,0
COCCOc1ccc(S(=O)(=O)N2C/C(=N\OC)C[C@@H]2C(=O)NO)cc1,0,0,0,1
CN1CCN(C2CC(c3c(-c4ncn5ccnc(N)c45)ccc4ccc(-c5ccccc5)nc34)C2)CC1,0,0,0,0
C=CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,0,0,0,0
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0,0,0
O=C(c1cc2c(cc1F)OC(c1ccccc1)(c1ccccc1)O2)N1CCCCC1,0,0,0,0
c1ccc(Oc2cc(-n3cccn3)ncn2)cc1,0,1,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1cccc([N+](=O)[O-])c1)NC2,0,0,0,0
COc1ccccc1C(=O)N(C1=NC(C)CS1)c1ccc(Cl)cc1,0,0,0,0
O=C(O)Cc1sc(-c2ccc(C(=O)O)cc2)nc1-c1ccccc1,0,0,0,0
COc1cc(O)ccc1C1CC(=O)Nc2c1c(=O)nc(SCc1ccccc1C)n2C,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1,0,0,0,0
CN(C)CCCNC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)c(Cl)c1,0,0,0,0
CC(=O)N1CCCN(C2(c3ccc(Oc4ccccc4)cc3)C(=O)NC(=O)NC2=O)CC1,0,0,0,0
Cc1ccc2c(c1)[nH]c1c2ccc2c(C=O)c[nH]c21,0,0,0,0
CCCc1cc(C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cs1,0,1,0,0
COc1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(C(=O)N(C)C)CC1,0,0,0,0
COc1cc(Nc2ncnc(-c3cccnc3Nc3ccccc3)n2)cc(OC)c1OC,0,0,0,0
COc1ccc(-c2nc(-c3ccc(Br)cc3)c(CC(=O)O)s2)cc1,0,0,0,0
O=C1C2C3CCCN3C3(C(=O)Nc4ccccc43)C2C(=O)N1c1cc(Cl)cc(Cl)c1,1,0,0,0
O=C1C=C(c2ccccc2)C[C@H](c2cccs2)[C@H]1n1nnc([N+](=O)[O-])n1,1,0,0,0
Nc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CCOCCCn1cnc2c3cc(F)ccc3n(C)c2c1=O,0,0,0,0
CCOP(=O)(OCC)C(Nc1ccc(F)cc1)c1ccccc1,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCN(CC)C4)cc2)CC1,1,0,0,0
O=c1n(-c2ccccc2)c(=O)n2n1CCCC2,0,0,0,0
COc1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)cc1OC,0,0,0,0
CC(C)CC(C)c1cc(N)nc2nc3ccccc3n12,0,0,0,0
COc1cccc2cc(CC(=O)c3cc(C)ccc3C)c(=O)oc12,0,1,0,0
CC(C)C=CCN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1,0,0,0,0
CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCc1ccccc1,0,0,0,0
N/C(=N\OC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccn1,0,1,0,0
c1ccc(Cc2ccc(OCCn3cnc4ncncc43)cc2)cc1,0,0,0,0
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O,0,0,0,1
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)CC(F)(F)F)C2CC2)C1=O,0,0,0,0
Cc1nnc(SCC(=O)Nc2nc3c(s2)CC(C)CC3)s1,1,0,0,0
O=c1c2ccccc2ncn1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1,0,0,0,0
Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1cccnc1,0,0,0,0
CCOc1cc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(C)CC,0,0,0,0
Cc1ccncc1-c1cccc2c1cnn2-c1nccs1,0,0,0,0
CNC(=O)c1ccc(COc2ccc(S(=O)(=O)C3(C(=O)NO)CCC4(CCNCC4)C3)cc2)cc1,0,0,0,0
Cc1cc(Cl)c(OCCCSc2nc(C)cc(=O)[nH]2)c(Br)c1,0,0,0,0
CNS(=O)(=O)c1ccc(C)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
Clc1cccc(OCc2nnc(-c3ccncc3)[nH]2)c1,0,0,0,0
O=C(C1CCCN(S(=O)(=O)c2cccs2)C1)N1CCN(C2CCCCC2)CC1,1,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(Oc5ccc(Cl)cc5)ccc4c3=O)cn2)C1,0,0,0,0
NCCCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(N)=O,0,0,0,1
Nc1nc(-c2ccco2)cs1,0,0,0,0
CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(C(C)C)cc1,1,0,0,0
C=CCNC(=O)C1CSC2c3ccc(OC)c(OC)c3C(=O)N12,0,0,0,0
Cc1cc(/C=N/NC(=O)c2ccsc2)c(C)n1-c1cnccn1,0,1,0,0
COC(=O)CSc1nc(-c2cccs2)ccc1C#N,0,0,0,0
O=c1cc(O)n(-c2ccccc2F)c(=S)[nH]1,0,0,0,0
CC1CCC2[C@@H](C)C(=O)OC3O[C@]4(C)CCC1C32OO4,0,0,0,0
CCOC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CC(C)Oc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
COc1cc2[nH]c(C)cc(=O)c2cc1-c1cnco1,0,0,0,0
Cn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3F)ccc21,0,1,0,0
Cc1ccc(-n2[nH]c(C)c(/C=N/NC(=O)c3cccc([N+](=O)[O-])c3)c2=O)cc1C,1,1,0,0
Cc1ccccc1-c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc([C@]3(O)CC[C@@H](C(=O)O)C(C)(C)C3)s2)c1,0,0,0,0
CCOc1ccc(-c2csc(NC(=O)CSCC(=O)O)n2)c2ccccc12,0,0,0,0
O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(Br)cc2)c1O,0,0,1,0
COc1cccc(-c2nc3ccc(-c4ccc(CN(C)C)o4)cc3c(=O)n2CC(=O)NC(C)C)c1,0,0,0,0
COCCNC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3cnc4ccncc43)nc2n1C,0,0,0,0
O=C(O)COc1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,0,0,0,0
Oc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1,0,0,0,0
Cc1cc(C)n(-c2nc3c(c(=O)n(Cc4ccc(Cl)c(Cl)c4)c(=O)n3C)n2C)n1,0,0,0,0
Cn1c(-c2ccccc2)cc2ccccc21,0,0,0,0
COc1ccc(/C=N/Nc2nc(NCc3ccco3)nc(Nc3ccc(OC)cc3)n2)cc1,1,0,0,0
CCc1nc(-c2ccccn2)c2sccc2n1,0,0,0,0
C[C@@H](OC[C@@]1(c2ccccc2)CC[C@]2(CCCC(=O)N2)CN1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
CCCCN1CC(=O)C(c2nc(-c3ccc(Cl)cc3)cs2)=C1N,1,0,0,0
O=C(O)c1ccc(-c2nc(C(=O)c3c(Cl)cccc3C(F)(F)F)n3ccccc23)cc1O,0,0,0,0
CCc1ccc2nc(Nc3ncc(C(C)=O)c(C)n3)nc(C)c2c1,0,0,0,0
COc1ncc(-n2ncc3c(NC[C@H](C)NS(=O)(=O)c4c(C)nn(C5CCCC5)c4C)cccc32)cn1,0,0,0,0
O=c1c(-c2ccc(Cl)cc2)coc2c(CN3CCOCC3)c(O)ccc12,0,0,0,0
Cn1c(N2CCCN(CCCN3c4ccccc4COc4ccc(C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,0,0,0,0
Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OC(C)C)cc1,1,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(C)C(=O)C4)ncn3)c2c1,0,0,0,0
Cn1c(-c2ccco2)n[nH]c1=S,0,0,0,0
CC1CCC(=O)C1=O,0,0,1,0
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)CSCC(=O)Nc2cccc(C)c2)c1,1,0,0,0
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2nn(C(F)F)cc12,0,0,0,0
CCC(=NCC1CCCO1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0,0,0
FCCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1,0,0,0,0
O=Cc1ccc(OCC(=O)N2CCc3ccccc32)c(Br)c1,0,1,0,0
Cc1ccc(CN2CCN(Cc3cc(=O)c4ccccc4[nH]3)CC2CCO)o1,0,0,0,0
CN1CCN(c2ccc(CNc3ncc(Br)c(Nc4cc(C5CC5)[nH]n4)n3)cc2)CC1,0,0,0,0
O=c1c2ccccc2ncn1-c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0,0,0
C=CCn1c(O)c(/C=C2/C=c3ccccc3=N2)c(=O)[nH]c1=S,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2c2ccc(OCCN3CCCC3)cc2)cc1,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccccc12,0,0,1,0
CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)SCCCS3)CC2)CC1,0,0,0,0
CCn1nnc(-c2ccccc2NS(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1,0,0,0,0
Cn1cc(-c2ccc(-c3cnc(N)c(Cl)c3N3CCC4(CC3)NC(=O)NC4=O)cc2)cn1,0,0,0,0
Cc1ccc(NC(=O)Cn2ncc(Cl)c(Cl)c2=O)cc1S(=O)(=O)NCCc1ccccn1,0,0,1,0
COC[C@H]1OC(=O)/C(=C/N2CCN(CCCN(C)C)CC2)C2=C(O)C(=O)C3=C([C@H](OC(C)=O)C[C@]4(C)[C@@H](O)CC[C@@H]34)[C@]21C,0,0,0,0
O=C(CCC(=O)Nc1ccccc1)N/N=C/C=C/c1ccccc1,1,0,0,0
O=C(Nc1ccc(Cl)cc1)Nc1cccnc1Cl,0,1,0,0
CCCC1C(c2ccco2)NC(c2ccco2)CC1(C)O,0,0,0,0
COc1cc(OCCN2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
CCCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0,0,0
COc1ccc(NC(=O)c2sc3nc(N4CCCC4)c4c(c3c2N)CC(C)(C)OC4)cc1,1,0,0,0
Cc1ccc(-c2nc(NCCCO)c3ccccc3n2)cc1,0,0,0,0
COC(=O)C1=C(C(=O)OC)C2N(C)c3ccccc3C23CC(C(=O)OC)N(C(=O)CC(C)C)C3=N1,1,0,0,0
CNS(=O)(=O)c1cccc(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
CC12CCC3C(C)(OC(=O)CC4C(C)(C)C(O)C=CC34C)C1=CC(=O)OC2c1ccoc1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(N)cc3)cc2N)cc1,0,0,1,0
Oc1ccc(C=Nc2ccc3ncccc3c2)c(O)c1,1,0,0,1
CCCCCC(C)(C)c1ccc([C@H]2CCC[C@H](O)C2)c(OC)c1,0,0,0,0
Cc1ccc(N(Cc2ccccc2O)C(=O)c2ccccc2F)cc1,0,0,0,0
COc1ccc(CCNC(=O)CN2CCN(c3ccccc3Cl)CC2)cc1,1,0,0,0
O=C1CC(c2ccc(OCCCCCOc3ccc(C4CC(=O)NC4=O)cc3)cc2)C(=O)N1,0,0,0,0
COc1ccc(-c2nc(CN3CCCCC3CCc3ccccn3)c(C)o2)cc1,0,0,0,0
Nc1ncccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2ncns2)cc1Cl,0,0,0,0
O=c1c(-c2ccc(F)c(F)c2)nc2cncnc2n1-c1ccccc1,0,0,0,0
N#CCC(=O)NN=Cc1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1,0,0,0,0
COCC(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)C2CCCCC21,0,0,0,0
CC[C@H]1CC2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21,0,0,0,0
Nc1ccnc2c1C(=O)N(c1ccc(C3CCC(CC(=O)O)CC3)cc1)CCO2,0,0,0,0
CCC1(CCCCN2CCN(c3ccccc3Cl)CC2)C(=O)Nc2ccccc21,0,0,0,0
O=C1CC(c2ccccc2)CC(O)=C1C=NCc1ccncc1,0,0,0,0
C=CCn1c(S)nnc1-c1csc(-c2ccc(Cl)cc2)n1,1,0,0,0
CCOC(=O)C(=O)N(Cc1cc(F)cc(F)c1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
COc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC,0,0,0,0
CC(C)(O)CC(=O)N1CCN(c2ccc(Cl)c(-c3ccccn3)n2)CC1,0,0,0,0
CC(C)OC(=O)c1sc2nc(-c3ccccc3)ccc2c1N,0,1,0,0
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3n2Cc2cccnc2)cc(-n2nc(C)nc2C)n1,0,0,0,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4sc(N)nc4C)cs3)cc2)no1,1,0,0,0
COc1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,0,0,0,0
COc1ccc(-n2c(Cn3nnc4ccccc43)n[nH]c2=S)cc1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)cc1,0,0,0,0
O=C(c1ccccc1F)N1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,0,0,0,0
CCc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0,0,0
O=C(O)c1cc(-c2cccnc2)nn1-c1ccccn1,0,0,0,0
CC1=C(C(=O)OC2CCCCC2)C(c2ccco2)n2ncnc2N1,0,0,0,0
NC(=O)COC(=O)c1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
Cc1ccc2[nH]c(=O)c(C(c3nnnn3C(C)(C)C)N3CCN(C(=O)c4ccco4)CC3)cc2c1,0,0,0,0
CN(C)C=Cc1onc(-c2ccccc2Cl)c1C#N,0,0,0,0
C=CCn1c(-c2ccc(C)cc2)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0,0,0
CCCn1c(-c2ccc(F)cc2)nc2c(N3CCC(N(C)C)C3)nc(C)nc21,1,0,0,0
COCC1CCN(Cc2cn[nH]c2-c2cc3ccccc3o2)C1,0,0,0,0
COc1cc(CN(Cc2ccc(-c3nn[nH]n3)cc2)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
O=c1cc(CSc2ccc(Cl)cc2)nc(N2CCOCC2)[nH]1,0,0,0,0
COc1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1,0,0,0,0
CCC(C)NC(=O)CC1Oc2ccc(Cl)cc2NC1=O,0,0,0,0
CCOC(=O)CC(=NN(C)c1ncc(C(F)(F)F)cc1Cl)NC(=O)Nc1ccc(Cl)cc1Cl,1,0,0,0
COc1cccc(Oc2coc3cc(OC(=O)N4CCOCC4)ccc3c2=O)c1,0,0,0,0
Nc1c(Cl)cc(-c2[nH]c3cc(C(=O)NCCO)ccc3c(=O)c2O)cc1Cl,0,0,0,1
O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12,0,0,0,0
Cc1ccccc1-n1c(CF)nc2ccc(N)cc2c1=O,0,0,0,0
COc1ccc(C(=O)Oc2ccc(C=NNC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,1,0,0,0
C=CCC1/C=C(\C)CCOC(=O)OC(=O)C2CC[C@@H](O2)C(=O)C(=O)C(=O)OC(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H](CCc2cccnc2)[C@H](C)CCC1=O,0,0,0,0
CCN1CCCN(C(c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1,0,0,0,0
COc1ccc(CNc2cc(-c3cccnc3)ncn2)c(OC)c1,0,0,0,0
CCOC(=O)c1cnc2c(ccc3ccccc32)c1N,0,0,0,0
Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)sc21,0,0,0,0
O=C(c1csc2c1CCCCC2)N1CCN(c2ncccn2)CC1,0,0,0,0
CCCn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2F)c1-c1ccc(O)cc1F,0,0,0,0
Cc1cc(C2=NCC(C)(C)N2)cc2[nH]c(-c3c(NCC(O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0,0,0,0
O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2ncccn2)CC1,0,0,0,0
CN1CCC[C@H]1c1ccc[n+](CCCCCNCC2CCc3ccc(O)cc3O2)c1,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCc2cccc(Cl)c2)c1C,0,0,0,0
C=CCOCCc1cc(Cl)c(Cc2ccc(CC)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
O=C(NO)[C@@H]1[C@H](c2ccccc2)[C@H]1c1ccc2ncc(C3CC3)nc2c1,0,0,0,0
CCN(Cc1ccccc1)c1ccc(C=NNC(=S)NC(C)C)cc1,0,0,0,0
COc1cc(Nc2c(C#N)cnc3cc(OCCCCN4CCOCC4)c(OC)cc23)c(Cl)cc1Cl,0,0,0,0
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCC(OC)CC1)C2=O,0,0,0,0
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CNC4=O)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1,0,0,0,0
CC1(C)C[C@](O)(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(-c4cccc(F)c4F)c3)s2)CC[C@H]1C(=O)O,0,0,0,0
Cn1ccc2c(-c3ccc(OCCC4C5CCC4CNC5)c(C(F)(F)F)c3)nc(C#N)nc21,0,0,0,0
CCCCCOc1ccc(-c2ccc(OCC(CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1,0,0,0,0
S=C(Nc1ccc2nsnc2c1)N1CCCCC1,0,0,0,0
COc1ccc(C2=NN(CCCCC(=O)Nc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)C3CC=CCC23)cc1OC,0,0,0,1
C=CCOc1c(Br)cc(CNc2ccc(NC(=O)C(C)C)cc2)cc1OCC,1,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3cccc(C(F)(F)F)c3)CC1=O)C2,0,0,0,0
Nc1cc(CNCc2cnc(Oc3ccc4c(c3)CCC(c3ccccc3)O4)s2)ccn1,0,0,0,0
CSc1ccccc1OCc1cc(C(=O)N2CCN(c3ncccn3)CC2)no1,0,0,0,0
Cc1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1,0,0,0,0
NC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3Cc2cccnc2)c1,0,0,0,0
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCCN(C)C,0,0,0,0
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c1C,0,0,0,0
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(C(F)(F)F)cc2)o1,0,0,0,0
NNC(=O)/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CCSC(=S)SCC(=O)c1ccc(CC(=O)NCc2ccccc2)s1,0,0,0,1
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(OS(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0,0,1,0
CC(C)(O)CN[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cc1ccc(-c2csc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c23)cc1C,0,0,0,0
C=CCNC(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1,0,0,0,0
CCOC(=O)c1cnc(NCc2ccc(Cl)cc2)c2ccccc12,0,0,0,0
COc1cc2c(cc1S)O[C@@H](C[C@H](c1ccc3c(c1)OCO3)C(C)O)C2,0,0,0,0
Cc1ccc2nc(CCc3nc(N4CCCC4)nn3C)nn2c1C,0,0,0,0
CC1(C)CN=C(Nc2ccccc2C(F)(F)F)S1,0,0,0,0
CNC(=O)[C@@H]1CSc2ccccc2NC(=O)CO[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N1,0,0,0,0
CCOC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
O=C(O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0,0,0,0
N#CC1(NC(=O)[C@@H]2Cc3ccc(c(Cl)c3)OC/C=C\CCc3ccccc3C(=O)N2)CC1,0,0,0,0
Cc1ccc(CN2CCSc3ccc(C(=O)N4CCN(c5ccccc5)CC4)cc32)cc1,0,0,0,0
CC(=O)C(=CNc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)C(C)=O,0,0,0,0
CNc1ccc2c(Nc3cccc(Br)c3)ncnc2n1,0,0,0,0
Cc1ccc(C2=NC(=Cc3cccs3)C(=O)N2Nc2ccccc2)cc1,1,0,0,0
CCn1c(C)c(C)c2cc(C(=O)Nc3cccc(Cl)c3)ccc21,1,0,0,0
COc1ccc(C2(c3ccc(Cl)cc3Cl)Oc3cc(F)c(C(=O)N4CCCCC4)cc3O2)cc1,0,0,0,0
COc1cccc(-c2csc(N3CCN(CC(=O)Nc4ccc5c(c4)OCO5)CC3)n2)c1,1,0,0,0
Cc1ccccc1OCCCCn1c(CO)nc2ccccc21,1,0,0,0
COc1ccc(-c2ccccc2Cn2cnc3c(SCc4ccc([N+](=O)[O-])cc4)ncnc32)cc1,0,0,0,0
CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C(=O)OCC)CC1,1,0,0,0
CCS(=O)(=O)NCCc1csc(C)n1,0,0,0,0
CCN1CCC(N(C)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0,0,0,0
Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1,0,1,0,0
CC(C)CCn1cnc2c1c(=O)n(CC(=O)NC(N)=O)c(=O)n2Cc1ccccc1,0,0,0,0
CCn1c(-c2cccc(Br)c2)n[nH]c1=S,0,0,0,0
CN(Cc1c2c(=O)n(-c3ccccc3Cl)[nH]c2cc(=O)n1Cc1ccncc1)c1ccccc1,0,0,0,0
CC1(C)C[C@](O)(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(-c4ccccc4Cl)c3)s2)CC[C@H]1C(=O)O,0,0,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Oc1ccc(C(=O)OC)cc1,0,0,0,0
CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccnc2OC)cc1,0,0,0,0
Brc1ccc2[nH]c3c(ccc4cc[nH]c43)c2c1,0,0,0,0
Cc1nc(NCCOc2ccccc2)nc(N[C@@H](C)c2ccccc2)n1,0,0,0,0
O=C(c1ccc2c(c1)OCO2)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CC(C)NC(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n([C@H]5CCN(CC#N)C[C@@H]5F)c34)c(Cl)c2)n1,0,0,0,0
Cc1ccc(-c2csc3[nH]c(CSc4nnc(-c5ccc(Cl)cc5)n4C)nc(=O)c23)cc1,0,0,0,0
COc1cc(CN(C(=O)c2cccc(Cl)c2)c2ccccn2)cc(OC)c1OC,0,0,0,0
COc1ccc2[nH]c3c(=O)n(Cc4ccc(C(=O)N5CCCCCC5)cc4)c(=S)[nH]c3c2c1,0,0,0,0
CCc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1,0,1,0,0
N#C/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1,1,0,0,0
N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccncc1)C(=O)O,0,0,0,0
Cc1ccccc1C(=O)NC(=S)NCC(=O)c1ccccc1,1,0,0,0
CC(C)(c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1F)[C@H](O)C(F)(F)F,0,0,0,0
COc1ccc(CC(C)(C)NC[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1,0,0,0,1
O=C1NC(=NC23CC4CC(CC(C4)C2)C3)OC12CCCC2,0,0,0,0
CC(=O)Nc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0,0,0,0
CCOc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21,0,0,0,0
COc1ccc(-c2nnc3sc(-c4ccccc4OC)nn23)cc1,1,0,0,0
CC(=O)N1CCCc2cc(S(=O)(=O)N(Cc3ccccc3)C(C)C)ccc21,1,0,0,0
O=C(O)c1cc(C(=O)C2CC2)c[nH]1,0,0,0,0
O=C1c2oc3ccccc3c(=O)c2C(c2cccnc2)N1Cc1ccco1,0,1,0,0
Cc1cc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)on1,0,0,0,0
CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)s1,1,1,0,0
CCCOc1ccc(OCCN2CCCC(C)C2)cc1,0,0,0,0
Cc1cccn2c(=O)c3c(nc12)N1CCc2ccccc2C1C1(C3)C(=O)NC(=O)N(C)C1=O,0,0,0,0
COc1ccccc1C(=O)C1CCCN(C(=O)c2ccccn2)C1,0,0,0,0
O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1,0,1,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(CN2CCN(C)CC2)cc1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1NC12CCC(O)(CC1)C2,0,0,0,0
CN(C)CCN(Cc1ccccc1)c1ccccc1,0,0,0,0
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccnc1Sc1ccccc1,0,1,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccc(C(C)(C)C)cc4)C3)c2cc1OC,0,0,0,0
Cc1nc(N)c2ccc(-c3cccc(S(=O)(=O)NC(=O)[C@@H](N)[C@@H](C)O)c3)cc2n1,0,0,0,0
O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1,1,0,0,0
COCCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3,1,0,0,0
Cc1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1,0,0,0,0
COc1ccc(-c2csc(N3CCC(c4ccccc4)CC3)n2)cc1,0,0,0,0
CC(=O)c1sc(NC(=O)c2ccc(C(C)(C)C)cc2)nc1C,0,1,0,0
Cc1cc(-c2nccnc2OC2CC(Nc3nc4ccccc4s3)C2)ccn1,0,0,0,0
Cc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1,0,0,0,0
Cc1cccc(N(C)c2cc(C)nc3nc(C)nn23)c1,0,0,0,0
CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(CO)cc2)c1,0,0,0,0
CCc1ccc(N[C@H](CC)c2ccc(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1,0,0,0,0
N#CC1CCN(c2ncccc2[N+](=O)[O-])CC1,0,0,0,0
O=C(O)C(CCc1ccccc1)NC1Cc2ccccc2[C@H]2CCC[C@@H](C(=O)O)N2C1=O,0,0,0,0
O=C(c1ncc(-c2ccccn2)o1)[C@H]1CCc2cc(Oc3ccccc3)ccc2C1,0,0,0,0
Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2ccccc2o1,0,0,0,0
CCN(CC)CCCNc1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1cc(/C=N/Nc2nc(N)ncc2[N+](=O)[O-])c(C)n1-c1ccccc1F,0,1,0,0
Cc1ncsc1CCCl,0,0,0,0
FC(F)(F)c1ccc(N2CCOCC2)c(NC2=NCCCCC2)c1,0,0,0,0
CC(C)c1ccc2[nH]c(O)c(N=NC(S)=NCCc3ccccc3)c2c1,1,0,0,0
Cc1cc(S(=O)(=O)N2CC(F)(F)C[C@@H]2c2ccc(F)cc2)cc(C)c1F,0,0,0,0
O=C(c1cc(F)ccc1-c1ncccn1)N1CCOC1Cn1cc(-c2ccc(F)cc2)cn1,0,0,0,0
CC(=O)Nc1cccc(-c2cnc3n[nH]c(C)c3c2)c1,0,0,0,0
OCCN1CCN(Cc2cc(Br)cc(Br)c2O)CC1,0,0,0,0
Cc1cc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)ccc1-c1nc(Cl)ncc1C,0,0,0,0
CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c3)nc2c1,0,1,0,0
Nc1nc(F)nc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O,0,0,0,0
Brc1ccc(C2CC(c3ccccc3)=Nc3ccccc3N2)cc1,1,1,0,0
CC(=Cc1ccccc1)C=C1SC(=S)N(CCCC(=O)O)C1=O,0,0,0,0
CCOC(=O)Cn1nc(C=Cc2ccc(C(C)C)cc2)ccc1=O,1,0,0,0
CCCS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1,0,0,0,0
Cc1cc(N2CCCC2=O)ccc1S(=O)(=O)NC1CCCCC1,0,0,0,0
CC(=O)NC(c1ccccc1)c1cc([N+](=O)[O-])c2cccnc2c1O,0,0,0,0
C[C@@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
O=C(CC(SCCO)c1ccc2c(c1)OCO2)c1cccs1,0,1,0,0
COc1cc(-c2c(-c3cc(OC)c(OC)c(OC)c3)noc2C)ccc1F,1,0,0,0
C=CC(=O)NCCCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1,0,0,1,0
CCOC(=O)CN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1,0,0,0,0
CCC1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
O=C(c1ccccc1)n1c(=S)nc2ccccn21,0,1,0,0
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N(C(C)(C)C)CC2,0,0,0,0
O=C1N(c2ccccc2)C(=Nc2ccccc2)SC12CC2,0,0,0,0
Nc1ncnc2nc(Cl)[nH]c12,0,0,0,0
COCc1cc(C)nc2sc(C(=O)Nc3cccc(OC)c3)c(N)c12,1,1,0,0
CCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(C)c(=O)c21,0,0,0,0
CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1N,0,0,0,0
CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(-c3cccc(F)c3)c(C(N)=O)c2C1,0,0,0,0
CC(Cc1ccccc1)NCCn1cnc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C(\F)S(=O)(=O)Oc1ccccc1)CCc1ccccc1)OCc1ccccc1,0,0,1,0
O=C1CCC(=O)N1OCCCOc1ccccc1,0,0,0,0
Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CCN(C)CC2)cc1Cl,0,0,0,0
C#Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,0,0,0,0
CCC(Nc1nc(-c2ccccc2)nc2ccccc12)C(=O)O,0,0,0,0
CCCCOc1c(C(=O)c2c(F)cc(OC)cc2F)cnc2n[nH]cc12,0,0,0,1
O=C(c1ccccc1C(=O)N1CCN(c2ccccc2F)CC1)N1CCN(c2ccccc2F)CC1,1,0,0,0
CC(C)(O)CC(=O)C(CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13,0,0,0,0
O=C(O)CCc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CC(CO)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
OCCC1CN(Cc2nc3ccccc3s2)CCN1CCc1ccccc1,1,0,0,0
O=C(O)c1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1O,0,0,0,0
O=C(CC1Oc2ccccc2NC1=O)NCCCN1CCN(C2CCCCC2)CC1,1,0,0,0
Cn1c(C(=O)c2ccncc2)cc2ccccc21,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccccc1[N+](=O)[O-],0,0,0,0
Cc1nc2ccc(C(=O)N3CCCC(CO)(Cc4ccc(F)cc4F)C3)cc2nc1C,1,0,0,0
COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1,1,0,0,0
CCC1CN(C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2cc(C(F)(F)F)ccc2N1C(=O)OCC(C)C,0,0,0,0
Cc1cc(Nc2nn(-c3ccc(C(C)(C)C)cc3)c(=O)c3ccccc23)n[nH]1,0,0,0,0
O=C(CCc1nnc(Cc2ccc(-c3ccccc3)cc2)o1)NCC1CC1,1,0,0,0
Cn1c2c(c(=O)n(C)c1=O)CN(CCc1ccccc1)CN2,0,0,0,0
CCSC1=NC(=Cc2ccc(C)s2)C(=O)S1,0,0,0,0
Cc1ccc(S(=O)(=O)NN2C(=O)/C(=C/c3ccccn3)SC2=S)cc1,0,0,0,0
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCOCC3)c3ccccc3c2=O)cc1OC,0,1,0,0
CCc1c(C)c(C#N)c2nc3ccccc3n2c1Nc1cccc(C(F)(F)F)c1,0,0,0,0
CC(C)c1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1,0,0,0,0
Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccccc3)ccc21,0,0,0,0
C[C@H](O)C(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(C(N)=O)c1)C2)CC1CCC1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)[C@H](C)O)C[C@@H]1F,0,0,0,0
CC(=O)c1ccc(S(=O)(=O)NCC2(N3CCOCC3)CCCCC2)cc1,0,0,0,0
NS(=O)(=O)c1cc(C(=O)N=Nc2c(O)[nH]c3ccccc23)ccc1Cl,0,1,0,0
N#Cc1cccc(C#N)c1Oc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1,0,0,0,0
Nc1nc(-c2ccn[nH]2)c2nnn(Cc3ccccc3F)c2n1,0,0,0,0
CC(C)C(O)P(=O)(OCc1ccccc1)c1ccc(N(C)C)cc1,0,0,0,0
Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1F,0,0,0,0
C=CCS/C(=N\n1cnc2ccccc2c1=O)N1CCCCC1,0,0,0,0
COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1c(OC)cccc1OC,0,1,0,0
COc1ccc(N2CCN(C)CC2)cc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
CCCOc1ccc(/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])c(O)c1,1,1,0,0
Cc1nn(C)cc1C=NNC(=S)Nc1ccc(Cl)cc1Cl,0,0,0,0
Cc1cc(C)c(S(=O)(=O)NCC2CCC(C(=O)N3CCC4(CC3)OCCO4)CC2)c(C)c1,1,0,0,0
COc1cc2c(Nc3c(F)ccc(O)c3C)ncnc2cc1OCCN1CCOCC1,0,0,0,0
CC(=O)Nc1ccc2nc(SCCOc3cc(C)cc(C)c3)sc2c1,1,0,0,0
Cc1noc(C)c1-c1nncc2nc(Nc3ccc(F)cc3F)ccc12,0,0,0,0
C=CC(=O)Nc1cc(Nc2cc(-c3cccc(NC(=O)c4ccc5c(c4)OCO5)c3C)cn(C)c2=O)ccc1C(=O)N1CCOCC1,0,0,1,0
Clc1cc(Cl)cc(NC2=NCCS2)c1,1,0,0,0
O=C1N(c2ccc(C3CCC(N4CCCC4)CC3)cc2F)CCC12CCNCC2,0,0,0,0
Nc1ncc(-c2cc(C3[C@H]4COC[C@@H]34)nc(N3CC4CC3C4)n2)cc1OC(F)F,0,0,0,0
CS(=O)(=O)c1ccc(-c2cnc(Nc3ccccc3)nc2-c2ccc(F)cc2)cc1,0,0,0,0
CCOc1cc(/C=N/n2cnnc2)ccc1OS(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1,1,0,0,0
Cc1nn(-c2ccccc2)c2c1c(C)c(CCC(=O)N1CCOCC1)c(=O)n2C,1,0,0,0
CCOC(=O)c1sc2nc(C)nc(N3CCCCC3C)c2c1C,0,0,0,0
Cc1cc(N2C(=O)C3CCCN3C2c2sccc2C)no1,0,0,0,0
Cc1ccc(O)c(C(=O)c2cnc3c(c2)c(C)nn3-c2ccccc2)c1,1,0,0,0
Cc1nc2ccc3nc(NC(=O)C4COc5ccccc5O4)sc3c2s1,1,0,0,0
CCc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,1,0,0,0
COc1ccc2nc3c(nc2c1)CCCC3,0,0,0,0
Cc1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,0,0,0,0
O=C(Nc1cccnc1)N1C[C@@H]2CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)[C@@H]2C1,0,0,1,0
COc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2OC)cc1OC,0,0,0,0
COc1nn2cc(-c3ccc(F)cc3F)nc2s1,0,0,0,0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NC(C)(C)CO,0,0,0,0
CCOC(=O)C1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CC)C1,0,0,0,0
Cc1ccc(C)c(-n2c(-c3csc(C)c3)n[nH]c2=S)c1,0,0,0,0
CN(C)c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc([C@H](O)C(F)F)cc2)c1,0,0,0,0
Cc1ccc(OCC(=O)O)c(C)c1NCc1cc(O)cc(-c2cccc(F)c2)c1,0,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccc(OC)cc5)CC4)ccc3c2=O)cc1,0,0,0,0
O=C(O)c1cc(S(=O)(=O)Nc2ccc(Br)cc2Br)c2ccccc2c1O,0,0,0,0
Cc1ccc(C)c(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CCN4C(=O)C3CC3)CC2)c1,1,0,0,0
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C(F)(F)F)cn5)n4)c3CO)ncc2c1,0,0,0,0
CCOC(=O)N1CCC(Nc2cc(C)ccn2)CC1,0,0,0,0
Cc1cc(C)cc(NC(=O)c2sc3nc(C)cc(C)c3c2N)c1,1,1,0,0
Cc1cc(=O)oc(C)c1C(=O)N1CCCCC1,0,0,0,0
Cc1cccc(NC(=S)NC(C)CCc2ccccc2)c1,0,0,0,0
Cc1[nH]c2ccccc2c1C(c1ccncc1)N1CCN(c2ccccn2)CC1,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1NCCCN1CCOCC1,0,0,0,0
COc1ccc(NC(=O)CN2CCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1OC,1,0,0,0
CCOc1ccc(/C=C2/C(=O)N(c3ccc(OC)cc3)C(=S)N2CC(=O)OC)cc1OCC,0,1,0,0
CN(C)CCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccc(Cl)cc12,0,0,1,0
CC(C)Oc1cc2c(-c3cc(N4CCOC(C(F)(F)F)C4)ncn3)n[nH]c2cc1F,0,0,0,0
CSc1nn2cc(-c3nc4cc(C(C)(C)C)ccc4o3)nc2s1,0,0,0,0
Cc1csc2nc([C@H](C)Nc3ncnc4nc[nH]c34)c(-c3cccc(F)c3)c(=O)n12,0,0,0,0
COc1ccc(C(c2c(O)[nH]cnc2=O)c2c(O)[nH]cnc2=O)cc1,0,0,0,0
O=c1c2c(F)cc(C3CC3)cc2ccn1-c1cccc(-c2ncnc3[nH]c(C4=CCN(C5COC5)CC4)cc23)c1CO,0,0,0,0
COc1ccc(OC)c(Cc2sc3nc(N)nc(N)c3c2C)c1,0,0,0,0
COc1ccc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cn1,0,0,0,0
CC1=C(C(=O)Nc2cc(C)ccn2)C(c2cnn(C)c2)C2=C(CC(c3ccccc3)CC2=O)N1,1,0,0,0
Cc1cccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c12,0,0,0,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1NC12,0,0,0,0
Cc1ccc(Nc2cc(C)nc3ncnn23)c(C)c1,0,0,0,0
COCC(C)Nc1cc(-c2ccc3ncsc3c2)nc(C)n1,0,0,0,0
COc1ccc(N(C(=O)CCCl)C(C#N)c2ccc(Br)cc2)cc1,0,0,0,0
O=C(OCC(=O)N1CCN(C(=O)c2ccco2)CC1)c1cc(-c2cccc(Br)c2)nc2ccccc12,1,1,0,0
O=Cc1ccccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1,0,0,0,0
CC(C)(C)c1ccc(OC(=O)N2CCCCC2)cc1,0,1,0,0
O=C(c1ccccc1)c1cc(Br)ccc1Cn1ccnc1,0,0,0,0
CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,0,0,0,0
c1cc2nnnn2nc1N1CCCCC1,0,0,0,0
C[n+]1c(-c2ccccc2)cc(-c2ccc(O)cc2)cc1-c1ccccc1,0,0,0,0
O=C(NCCc1ccccc1)c1cc2ncc(Br)cn2n1,0,0,0,1
OCCCCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cn1cc(-c2nn([C@H]3CCCN(C(=O)/C(C#N)=C/C4CC4)C3)c3ncnc(N)c23)c2ccccc21,0,0,1,0
CC(=NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)C1=C(O)CC(c2ccccc2)CC1=O,0,0,0,0
Cc1cc(C2=NN=C(NC3CC3)SC2)c(C)n1-c1ccccc1F,1,0,0,0
O=[N+]([O-])c1cc([N+](=O)[O-])c2c(=Nc3ccccc3)n(-c3ccccc3)n(O)c2c1,0,0,0,0
Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2)c1O,0,0,0,0
Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2cccc(C(F)(F)F)c2)n(C)c1=O,1,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)o2)c1C,1,0,0,0
N#Cc1ccc(Nc2nn([C@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
Clc1ccccc1CNC1C2C3CCCC2CN(C3)[C@H]1C(c1ccccc1)c1ccccc1,0,0,0,0
N=C(N)c1ccc2[nH]c(-c3cc(Br)cc(Br)c3O)cc2c1,0,0,0,1
O=C(c1cc(Cc2c[nH]c(=O)c3c(Cl)cc(Cl)n23)ccc1F)N1CCCNCC1,0,0,0,0
CCOc1ccc(-c2cc3c(ncn3C)c(C#N)n2)cc1C(F)(F)F,0,0,0,0
Nc1ncnc2nc(-c3cccs3)c(-c3ccccc3)c(-c3ccccc3)c12,0,0,0,0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)C(=O)CC3)n2CCC1CCN(C=O)CC1,0,0,0,0
O=C(CCCCCCC(=O)Nc1ccccc1)NOCc1ccccc1,0,0,1,0
COc1ccc(NC(=O)N2CCC(=Cc3cccc(Oc4ccc(C(F)(F)F)cn4)c3)CC2)cn1,0,0,1,0
CN1CCN(c2nccc3c2ncn3C)CC1,0,0,0,0
CC(=O)N[C@@H](CCN1C[C@@H]2CN(C(=O)c3c(C)cccc3C)C[C@@H]2C1)c1ccccc1,0,0,0,0
Cc1sc2[nH]cnc(=O)c2c1-c1ccc(Cl)cc1,0,0,0,0
COc1ccccc1NN=C(C(C)=O)C(=S)Nc1ccccc1,0,0,0,0
CCOc1ccc(CNC(=S)NN=Cc2ccc([N+](=O)[O-])cc2)cc1,0,0,0,0
O=S(=O)(c1ccccc1F)N1CCN(Cc2nc3ccccc3[nH]2)CC1,0,0,0,0
O=C1C=C(c2ccccc2)CC(c2cccs2)C1n1nnc([N+](=O)[O-])n1,1,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12,0,0,1,0
COc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1,0,0,0,0
CC1CCN([C@@H](C)COc2ccc(Cl)cc2)CC1,0,0,0,0
N#Cc1ccccc1S(=O)(=O)N1CCC(CCc2ccc(F)cc2F)CC1,0,0,0,0
COc1ccc(OC)c(C(C)NC(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1,0,0,0,0
COc1ccccc1C(O)P(=O)(OCC(C)C)c1ccc(N(C)C)cc1,0,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1cccc(Br)c1,0,0,0,0
COc1cc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)cc(OC)c1OC,0,1,0,0
Cc1ccc(Cl)cc1NC(C#N)c1ccccc1,0,0,0,0
CCOC(=O)C1CCN(C(=O)CCc2nnc3ccc(N4CCC(C)CC4)nn23)CC1,1,0,0,0
COc1cc(C(=O)N2CC3(CCOC3)C2)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1,0,0,0,0
CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(N)c([N+](=O)[O-])c3)CC2)cc1,0,0,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)c1C,0,0,1,0
Cc1cnc(CO)c2nc(CCc3cn4c(n3)-c3ccccc3C4)nn12,0,0,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccco2)cc1CN1C(=O)c2ccccc2C1=O,1,0,0,0
CC#CC(=O)N1CCCC(Cc2cccc(OC)c2)(C(=O)OCC)C1,0,1,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc(Cl)c1,0,0,0,0
CCCNC(=O)COC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(CN2CC(CO)(CO)C2)c1,0,0,0,0
Cc1cccc(OCc2nnc(SCC(=O)O)n2Cc2ccccc2)c1,0,0,0,0
O=c1[nH]c(O)c(C=NC2CCN(Cc3ccccc3)CC2)c(=O)[nH]1,0,0,0,0
Nc1cccc(-c2nc(N3CCOCC3)c3ncccc3n2)c1,0,0,0,0
CC(=O)c1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1,1,0,0,0
O=C(c1ccco1)N1CCN(C(c2ccccc2F)c2nnnn2Cc2cccs2)CC1,0,0,0,0
CC(C)C[C@H]1CN(c2ccc(C3CC3)c(C(=O)c3cccnc3N)n2)CCN1,0,0,0,0
CCCCn1c(O)c(C=C2C=NN=C2c2ccccc2)sc1=S,0,0,0,0
COc1ccc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)NCCCn2ccnc2)cc1OC,1,0,0,0
O=C1C(NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)CCCN1c1ccc(N2CCCCC2)cc1F,0,0,0,0
CC(C)OC(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F,0,0,0,0
Cc1ccc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OCC4CCCO4)cc32)c1,0,0,0,0
Cc1ccc2cc(CN(C(=O)c3cccnc3)C(C)C)c(=O)[nH]c2c1,1,0,0,0
Cn1c(N2CCCN(CCCN3c4ccccc4CCc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,0,0,0,0
C=CC(=O)Nc1cc(F)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
CNCC(CC1CCCCC1)NCC(CC(C)C)NCCc1cccc(C(F)(F)F)c1,1,0,0,0
CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,0,0,0,0
Cc1cc(=O)nc(-c2cccs2)[nH]1,0,0,0,0
O=C(O)CCC(=O)Nc1ccccc1N1CCOCC1,0,0,0,0
COc1cc2ncc3c(c2cc1CCc1ccsc1)n(-c1ccc(C#N)cc1F)c(=O)n3C,0,0,0,0
CN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3)c2)N=C1N,0,0,0,0
COc1ccc2nc(N/C(=N/S(=O)(=O)c3cccs3)c3ccccc3Cl)sc2c1,0,0,0,0
CC(=O)n1c(-c2ccccc2)c(CO)c2ccccc21,0,0,0,0
CC1CCCN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CCSc2nc3ccccc3s2)C1,1,0,0,0
COc1ccc2c(c1)Cc1ccccc1CCCN(C)CC2,0,0,0,0
Cc1noc(CNc2nc(N3CCN(C)CC3)nc3ccc(Cl)cc23)n1,0,0,0,0
Cc1ccc(Cn2c(=O)[nH]c3c(N)nc(OCC4CCOC4)cc32)cn1,0,0,0,0
O=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CCN(Cc3ccccc3)CC1)c1ccccc12,0,0,0,0
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(CC4NCCc5cc(O)c(O)cc54)cc3)c2)cc1,0,0,0,0
O=C(O)c1cc(-c2ccccc2)nc2nc(N3CCCCC3)sc12,0,1,0,0
COC(=O)CSc1nc(C)c2c(n1)CCCC2,0,0,0,0
CC1(C)CC(=O)C2C(=Nc3ccccc3NC2c2ccccn2)C1,0,0,0,0
Nc1nc(NC(=O)c2cccs2)nn1-c1ccccc1,0,1,0,0
Cc1cc(C)cc(Oc2nn[nH]n2)c1,0,0,0,0
CCOC(=O)Cc1csc(/N=C/c2c(O)n(-c3ccccc3C(F)(F)F)c(=O)c3ccccc23)n1,0,1,0,0
Cc1cc(Nc2nc(SCCN(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
COC(=O)C(C)(C)C(c1ccc(Nc2ccc3c(c2)OCO3)cc1)n1ccnc1C,0,0,0,0
O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Nc1ccccc1,1,0,0,0
CN[C@@H](C)C(=O)Nc1ccc2c(n1)OC1(Cc3ccccc3C1)C(=O)N2c1ccc(Cl)cc1,0,0,0,0
Cc1c(CC(=O)O)cc2ccc(F)cc2c1Oc1ncc(S(C)(=O)=O)cc1Br,0,0,0,0
COc1ccc(Cc2c(-c3ccccc3)nn(CC(=O)O)c2C)c(S(=O)(=O)c2ccccc2)c1,0,0,0,0
Cc1ccc(NC2CCCN(C(=O)c3snnc3C)C2)cc1C,0,0,0,0
Cc1ccccc1Nc1oc(-c2ccccc2)nc1CCc1ccccc1,0,0,0,0
c1cnc(Oc2ccc(Nc3nc4ccccc4s3)cc2)c(-c2cccc3ncccc23)c1,0,0,0,0
CNC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1ccnc(SC2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)n1,0,0,0,0
Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc12,0,0,0,0
CCCNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
Cc1nc(N)nc2c1C(=O)CC(c1ccccc1)C2,0,0,0,0
CC(=O)NC(c1ccc(C(C)C)cc1)c1ccc2cccnc2c1O,1,0,0,0
CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C)c2n1,0,0,0,0
CCOC(=O)c1oc2c(c1C)-c1nn(Cc3ccccc3Cl)cc1CC2,0,0,0,0
CC1CC(O)(CCc2cccc3ccccc23)C(C)CN1C,0,0,0,0
Cc1ccc(/C=C2\Oc3cc(OCC(=O)NN)ccc3C2=O)o1,0,1,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C1=O,0,0,0,0
CCCc1nc(C)c2c(NS(=O)(=O)C(F)(F)F)nc3ccc(OC)nc3n12,0,0,0,0
O=C(Nc1cccc(F)c1)Nc1ccccn1,0,1,0,0
O=S(=O)(c1ccccc1)N1CCN(C(=S)Nc2ccc(Br)cc2)CC1,0,0,0,0
O=C(c1n[nH]c2c1CCN(C1COC1)C2)N1CCC(c2cc(F)cc(F)c2C(F)(F)F)CC1,0,0,0,0
CC(C)(C)c1ccc(CNc2ccc(C(=O)O)cc2)cc1,0,0,0,0
CCN(CC)CCSc1nc(-c2cc(OC)c(Cl)cc2Cl)c2c(C#N)c[nH]c2n1,0,0,0,0
COc1cccc(Cn2c(NCc3cccnc3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0,0,0
COc1nn2cc(-c3ccc(C)cc3)nc2s1,0,0,0,0
CCC1=CC(=CN(C)c2ccccc2)C(=O)S1,0,0,0,0
Cc1nn(C)c(C)c1N(CC(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CCCN(C)CC2)cc1Cl,0,0,0,0
CCOc1ccc(CN2CCN(Cc3cccn3-c3ncccn3)CC2CCO)cc1,0,0,0,0
CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc3ccccc3o2)c1,1,0,0,0
O=S(=O)(c1ccc(Nc2nccn3c(-c4cn[nH]c4)cnc23)cc1)N1CCOCC1,0,0,0,0
CCOC(=O)NC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,0,0,0,0
CC1(C)C(=O)NCCN1C(=O)c1ccc2nc(Cc3ccccc3F)oc2c1,0,0,0,0
CCCCCCSc1nc2nc(-c3ccccc3)[nH]c2c(=O)[nH]1,0,0,0,0
COc1cc(C)c(C(=O)OC2C(CO)OC(n3ccc(=O)[nH]c3=O)C2OC(C)=O)c(OC)c1,0,0,0,0
CO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc4cc(F)c(-c5ccc(OCCCN(C)C)nc5)cc4c32)C1,0,0,0,0
CCC(=O)Oc1ccc2c(c1)O/C(=C\c1ccco1)C2=O,0,1,0,0
CCNc1cc(-n2ncc3cnc(N)nc32)ncc1C(=O)NC[C@H](F)C(C)(C)O,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccc(OC)cc23)C1,0,0,0,0
COc1ncc(-c2cc3c(C)nc(N)cc3n(C3CCCC3)c2=O)cn1,0,0,0,0
COc1ccc(C2CC2C(=O)c2ccccn2)cc1,0,1,0,0
COc1ccccc1-c1nc2ccccc2nc1-c1ccccc1OC,0,0,0,0
CC(C)CCn1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
CNc1nc(Nc2cc3c(cc2Cl)C(=O)N(C)C3)ncc1C(F)(F)F,0,0,0,0
O=C(O)CSC(CCCc1ccccc1)(CCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1,0,0,0,0
Cc1ccc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,0,0,0,0
COC(=O)Cc1c(C)nc2nc(-c3ccc(Cl)cc3)[nH]n2c1=O,0,1,0,0
O=C1CC(c2cccnc2)=NN1c1ccc(Cl)cc1Cl,0,0,0,0
CC(=O)c1ccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1,0,0,0,0
CCOc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1,1,0,0,0
CC(C(=O)O)c1ccc(C=C2CCCCC2=O)cc1,0,1,0,0
NNC(=O)c1ccc(CN2CCCCC2)o1,0,0,0,0
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4)c(Cl)c3)cc12,0,0,0,0
O=c1[nH]c(C2CC2)nc2sc3c(c12)CCCC3,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1Cl,0,0,0,0
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCC(=O)O,0,1,0,0
Cc1ncc(C#Cc2c(C)ncnc2N2CCCCC2)cc1NS(=O)(=O)c1ccccc1,0,0,0,0
Cc1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)o1,0,0,0,0
O=S(=O)(NCCc1ccc(Cl)cc1)c1ccc(N2CCCCS2(=O)=O)cc1,0,0,0,0
CCOC(=O)C1CCCN(c2c(NCCCN(CC)c3cccc(C)c3)c(=O)c2=O)C1,0,0,0,0
COc1ccc(S(=O)(=O)c2ccc(F)cc2)c(Cc2c3c(n(CC(=O)O)c2C)CC(C)(C)NC3=O)c1,0,0,0,0
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,0,0,0,0
COC(=O)c1ccc(COC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)cc1,1,0,0,0
COc1ccc(-c2csc(-c3ccc(C(=O)O)cc3)n2)cc1,0,1,0,0
C[C@](O)(c1ccc(C(=O)N(C2CC2)C2CCN(CC3(C(N)=O)CC3)CC2)cc1)C(F)(F)F,0,0,0,0
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)oc5ccccc5c4s3)CC2C)c1,0,0,0,0
CCOc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccc(Cl)cc2)cc1OC,0,0,0,0
N#CC1=C2SCN(c3ccccc3)CN2C(=O)CC1c1cccs1,1,0,0,0
O=S(=O)(c1ccc(C(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
CN1CCC(n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1,0,0,0,0
O=C1C=C(NCCc2ccccc2)c2ccccc2C1=O,0,0,1,0
Cc1nc(NC(C)c2ccccc2C)cc(-c2ccc3occ(C)c3c2)n1,0,0,0,0
O=C1NC(=O)C(=Cc2cccc(OCCCC3CCCCC3)c2Cl)S1,0,0,0,0
CC(C)(C)n1nnnc1C(c1cc2cc3c(cc2[nH]c1=O)OCCO3)N1CCSCC1,1,0,0,0
Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCN3CCCC3)CC2)cc1,0,0,0,0
Cc1cc(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)ccc1Cl,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCCF)c12,0,0,0,0
Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3ccccc3)cn12,0,0,0,0
CCCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCCOC)[nH]c(=O)c2nn1C,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@H](C[C@@H](F)C(=O)O)C(=O)O)cc1,0,0,0,0
CC(C)(C)NC(=O)CN(C(=O)C[S+]([O-])CC(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1,1,0,0,0
COC(=O)CCCC1=CC2=CC(=O)C(C)(OC(=O)c3cccs3)C(=O)C2=CN1CC(C)C,0,0,0,0
Cc1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4F)CC3)C2)s1,1,0,0,0
O=c1cc(CSc2ccccn2)c2ccccc2[nH]1,0,0,0,0
O=C(Sc1ncccn1)c1ccc2ccccc2n1,0,0,1,0
Clc1ccc(CCNc2nc3ccccc3s2)cc1,0,0,0,0
COCCn1nnnc1CN1CCN(c2cccc(C(F)(F)F)c2)CC1,1,0,0,0
COc1ccccc1C(Cc1coc2nc(N)nc(N)c12)C(C)C,0,0,0,0
CCN1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1,0,0,0,0
CCOc1ccccc1C(=O)Nc1cc(-c2nc3cccnc3s2)ccc1C,1,1,0,0
COc1c(O)ccc2c(=O)c3c(O)cc4c(c3[nH]c12)C=CC(C)(C)O4,0,0,0,1
CCOC(=O)C1=C(COC(=O)CCc2ccc(CC)cc2)NC(=O)NC1C,0,0,0,0
CNc1nc(SC)nc2c1ncn2[C@@H]1O[C@H](COP(O)(=S)OP(=O)(O)C(Cl)P(=O)(O)OP(O)(=S)OC[C@H]2O[C@@H](n3cnc4c(NC)nc(SC)nc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2F)CC1,0,0,0,0
O=Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](O)CO3)C1=O,0,0,0,0
CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl)C(CO)c1ccccc1,0,0,0,0
COc1ccc(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)cc1,0,0,0,0
N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@@H](Cc1ccccc1)CN2Cc1ncc[nH]1,0,0,0,0
CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
O=c1[nH]c(=O)n(Cc2ccccc2Cl)c(O)c1/C=C1/C=CC=N1,0,0,0,0
CC(C)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,0,0,0,0
CCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1O)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1ccccc1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C[C@@H]3C)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCN(CC)C(=O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1ccc(F)cc1,0,0,0,0
COc1ccc(CNc2cc(OC[C@@H]3C[C@H]3c3ccn(C)n3)nn(C)c2=O)cc1,0,0,0,0
CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
COC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
CN(Cc1cccc(-c2cnc(N3CCS(=O)(=O)CC3)nc2)c1)C(=O)CN,0,0,0,0
CCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)c(Cl)cc12,0,0,0,0
N=C(N)NC(=O)c1cccc2c1-c1ccccc1C2,0,0,0,0
Cc1ccc(CC2CC(=O)N(c3ccc(C)cc3)C2=O)cc1,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)c(F)c1,0,0,0,0
CN1C[C@H]2CCN(c3ccc(Br)cc3)[C@H]2C1,0,0,0,0
C=CCNc1nc(C(=O)OCC)nc2ccccc12,0,0,0,0
CC(C)(C)n1cc(CN2CC3(C2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1,0,0,0,0
Clc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,0,0,0,0
COc1ccc(-c2ccc3cc(C(C)=O)c(=O)oc3c2)cc1,0,0,0,0
COc1ccc(-c2csc3[nH]cnc(=O)c23)cc1,0,0,0,0
CC(C)(C)CCNc1cc(N[C@@H]2CCNC2)ncn1,0,0,0,0
Cc1cccc(C(=O)OCC(=O)N2CCCCCC2)c1O,0,0,0,0
Cc1nc2ncnn2c(N2CCN(C(=O)Cc3cccs3)CC2)c1C,0,0,0,1
O=C(COC(=O)CCCNC(=O)c1ccc(Cl)cc1)NCc1ccccc1Cl,1,0,0,0
Oc1c(Br)cc(Br)cc1CN1CCN(Cc2ccccc2)CC1,0,0,0,0
CCCCCNC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1,0,0,0,0
Cc1ccccc1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn12,1,1,0,0
NCCCCC1CNC(=S)N1CCCCC1CCCCC1,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2C2CCCCC2)C1,0,0,0,0
Cc1cc(C(=O)Nc2ccc(Br)cc2)cs1,0,1,0,0
O=C(Nc1ccc(Cl)cc1)Nc1cccnc1,0,1,0,0
CN1C(=O)N(C)C(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCc4ccccc4C32)C1=O,0,0,0,0
Cc1cc(Nc2ccc3c(c2)OCCO3)c2cc(Cl)ccc2n1,0,0,0,0
CCOC(=O)C1=NNC2(c3ccccc3)C(=O)N(c3cccc(Br)c3)C(=O)C12,0,0,0,0
COc1ccc(C)cc1NS(=O)(=O)c1cccc2nonc12,0,0,0,0
COC(=O)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
CC1Cc2cc(S(=O)(=O)N3CCC(C(=O)N4CCCCC4)CC3)ccc2N1C(=O)C1CC1,1,0,0,0
CC(CN(C)Cc1ccccc1)OC(=O)c1ccc2c(c1)OCCO2,0,0,0,0
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3nccc(-c4ccco4)n3)CC2C1,0,0,0,0
CCOC1=CC(=CC(C#N)c2nc(-c3cccs3)c(NC(C)=O)s2)C=CC1=O,1,0,0,0
O=C(CSc1nccc(=O)[nH]1)c1cc2ccccc2o1,0,1,0,0
O=C(O)CCCCCCN1C(=O)CC[C@@H]1/C=C/C(O)CCc1ccccc1,0,0,0,0
COCCCn1c(-c2ccc(Cl)cc2)n[nH]c1=S,0,0,0,0
CNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)nc(Cl)nc32)[C@H](O)[C@@H]1O,0,0,0,0
Cc1ccccc1NC(=S)N/N=C/c1ccc(O)cc1O,0,1,0,0
c1cc(C2CC2)nc(-c2c[nH]c3ccc(-c4nnc(C5CC5)o4)cc23)n1,0,0,0,0
Cn1c(CO)cnc1SCc1ccc(F)cc1,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)cc3C)c12,0,0,0,0
CCOC(=O)C1CCCN(C(=O)CN2C(=O)/C(=C/c3ccc(OC)cc3)Oc3ccccc32)C1,0,1,0,0
CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3c(Cl)cccc3Cl)n2)cc1)c1ccccn1,1,0,0,0
COc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3,0,0,0,0
CC1CN(Cc2ncccn2)CC1c1nc(=O)c2cnn(C3CCOCC3)c2[nH]1,0,0,0,0
Cc1cccc(CC2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1,0,0,0,0
CC(=O)NC1C(=O)N(C)c2ccc(Br)cc21,0,0,0,0
CCC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccccc1,0,1,0,0
CC(C)OP(=O)(OC(C)C)C(Nc1ccccc1)c1cccc([N+](=O)[O-])c1,1,0,0,0
NC(=O)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOC(=O)c1cn2nc(Oc3ccc(OC)cc3)ccc2n1,0,0,0,0
C=CC(=O)Nc1ccccc1Nc1nc(Nc2ccc(N3CCN(C)CC3)cc2)ncc1-c1ccoc1,0,0,1,0
CC1=CC(=O)CC(C)(C)C1(O)CCC(C)OC1OC(CO)C(O)C(O)C1O,0,0,1,0
CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)C3(c4cccc(-c5cc(Cl)cc(Cl)c5)c4)CCC3)ccc2O1,0,0,0,0
C=CCOc1nc(-c2ccccc2Cl)nc2ccccc12,0,0,0,0
CCOc1cccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1O,0,0,0,0
Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1,0,0,1,0
CCOC(=O)C(Br)=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1cccc(F)c1,0,0,0,0
CS(=O)(=O)Oc1ccc(S(=O)(=O)CC2CS2)cc1,0,0,0,0
Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)c2c1,1,0,0,0
COc1cc(C[C@@H](C)[C@H](C)Cc2ccc(O)c(OC)c2)ccc1O,0,0,0,0
COCCNc1nc(-c2ccc(N(C)C)cc2)nc2ccccc12,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCN(Cc1ccccc1)C2=O,0,0,0,0
CNS(=O)(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1,0,0,0,0
CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)c(F)c4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
CCN(CC)S(=O)(=O)c1cc(NC(=O)C(C)OC(=O)c2[nH]c(C)c(C(C)=O)c2C)ccc1C,1,0,0,0
c1ccc(OCc2nc3c(OCCCN4CCCCC4)cccc3n2CCCC2CCN(CCCN3CCCCC3)CC2)cc1,0,0,0,0
COc1cc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc(OC)c1,0,0,0,0
COc1ccc(-c2nc3ccc(NCc4ccc(F)c(C)c4)cc3n(CCNC(C)=O)c2=O)cc1,0,0,0,0
C=CCn1c(O)c(N=Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)[nH]c1=S,0,0,0,0
Fc1cnccc1-c1cc(C(F)(F)F)cc2[nH]ncc12,0,0,0,0
COc1ccccc1N1CCN(C[C@@H](O)c2oc3ccccc3c2CCc2ccccc2)CC1,0,0,0,0
CCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,0,0,0,0
COc1ccccc1-n1c(SCC(=O)NC(C)(C)C)nc(O)c(Cc2ccccc2)c1=O,0,0,0,0
Cc1ccc(NC=C2C=CC=C(O)C2=O)c(C)c1,0,0,0,0
COc1cccc(C(=O)c2c[nH]c(C(=O)NCCCN3CCOCC3)c2)c1,0,0,0,0
CC(C)CC(CC(=O)NC(CC(=O)NC1CCNCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1ccccc1)C(C)C)NC(=O)C1CNCCC1N,1,0,0,0
Cc1ccc2c(c1)CCCN2C(=O)c1cc(C)c(C)s1,0,0,0,0
COc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cn3ccnc23)cc1OC,0,0,0,0
CN1CCN(C2=Nc3ccccc3Nc3sc(CO)cc32)CC1,0,0,0,1
OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cccc(Cl)c1Cl)C(F)(F)F,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(=O)CO)CC5)c34)c(Cl)c2)n1,0,0,0,0
Cc1cc(Cl)c2ccc3ccccc3c2n1,0,0,0,0
CSc1nn2cc(-c3nc4c(N)cccc4o3)nc2s1,0,0,0,0
O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)oc1ccccc12,0,0,0,0
Cc1ccc(S(=O)(=O)NC(N)=NCCc2ccccc2)cc1C,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CC(C)(O)c1cc(Cl)c(Nc2nc3ccncc3c3c(=O)[nH]ccc23)c(Cl)c1,0,0,0,0
Cn1nc(C(=O)N2CCN(c3ccccc3)CC2)c2c1-c1ccccc1S(=O)(=O)C2,0,0,0,0
Brc1cccc(Nc2ncnc3ncccc23)c1,0,0,0,0
CN1CC[C@]23CCCC[C@H]2[C@H]1Cc1cc(CNCc2ccccc2)c(O)cc13,0,0,0,0
CC1=Nc2ncnn2C(c2ccccn2)/C1=C(\O)OC(C)C,1,0,0,0
c1ccc(COc2nn3c(C4CC4)nnc3c3ccccc23)nc1,0,0,0,1
COc1ccc(N2CCN(C(=O)c3cn(CC(C)C)c(=O)c4c3c3ccccc3n4C)CC2)cc1,1,0,0,0
CCCC(C)C1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
c1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1,0,0,0,0
CCOc1cc(=O)n(C)cc1-c1cc(NCc2ccn(CC)n2)ccc1Oc1ccc(F)cc1F,0,0,0,0
COc1cccc(-c2nc(N(C)C)c3ccccc3n2)c1,1,0,0,0
C[C@H](NC(=O)[C@@H]1CCC(=O)N1)c1ccc(CN2Cc3ccc(OCC4CC4)cc3C(F)C2)cc1,0,0,0,0
O=C(Nc1ccc(Br)cc1)c1ccc(Br)c(S(=O)(=O)NCc2ccccc2)c1,1,0,0,0
Cc1ccc(CN2CCN(C3CCc4ccccc4NC3=O)CC2)cc1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1,0,0,0,0
COc1ccc2c(c1)[nH]c1c(=O)n(CCN(C)C)cnc12,0,0,0,0
Cc1cc(Nc2nc(S(C)(=O)=O)cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)c2ccccc2S3(=O)=O)CC1,1,0,0,0
CCc1ccc(-c2cc(C(=O)NN3CCOCC3)c3ccccc3n2)cc1,1,1,0,0
NS(=O)(=O)c1ccc(CNC(=O)Cc2cccs2)cc1,0,0,0,1
N#CCCCSc1nnc(Cc2ccc3c(c2)OCO3)o1,0,0,0,0
Fc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1F,0,0,0,0
Cc1[nH]c2ncnc(Nc3ccc(F)cc3)c2c1C,0,0,0,0
CCCC[C@@H]1CNC(=S)N1CCCc1cc(OC)c(OC)c(OC)c1,0,0,0,0
COc1cc2c(cc1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]2(O)Cc1ccc(C(C)(C)C)cc1,0,0,0,0
Nc1ncc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)cn1,0,0,0,0
COc1ccc(C(C(=O)NC(C)(C)C)N(Cc2ccc(F)cc2)C(=O)CCC(=O)Nc2cc(C)on2)cc1,1,0,0,0
CCOC(=O)c1ccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1,1,0,0,0
Cn1nnnc1NC(=O)N1CCC2(CC1)CC(c1ccc(F)c(Cl)c1)C2,0,0,1,0
c1cc2c3c(ccc2[nH]1)CCC(N1CCCCCC1)C3,0,0,0,0
CC(C)Cc1nc2sc3c(=O)nc[nH]c3c2c2c1CCC2,1,0,0,0
COc1cc(OC)c(NC(=O)Nc2ccc3c(c2)N(C)C(=O)c2ccccc2S3)cc1Cl,1,0,0,0
CC(C)c1nc(Cl)c(C#N)c2c1CCCC2,0,0,0,0
CCCCC(=O)N[C@H]1CC(=O)NCCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H]2Cc3ccccc3CN2C1=O,0,0,0,0
CCCc1cc(=O)nc(SCc2ccccc2Cl)[nH]1,0,0,0,0
COc1ccc(C=NNc2nc(=O)c(C#N)c(-c3ccc(C)cc3)[nH]2)cc1,0,0,0,0
CC12CCC3c4ccc(O)cc4CCC3C1CC(O)C2OC1OC(C(=O)O)C(O)C(O)C1O,0,0,0,0
COc1cc(F)ccc1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)cc1,0,0,0,0
Cc1ccc(-c2cc(-c3ccccc3)[nH]c(=S)c2C#N)cc1,1,0,0,0
O=CNc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2,0,0,0,0
Cc1cc(NC(=O)CCC(=O)N(CC2CCCO2)C(C(=O)NC2CCCC2)c2ccccc2C)no1,1,0,0,0
Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccc(C(F)(F)F)cc3)C[C@@H]1O2,0,0,0,0
COc1ccc2c(c1)C(NC(C)=O)C(=O)N2,0,0,0,0
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1cccc2ccccc12,0,0,0,0
COc1ccc(N2C(=O)Cc3c2nc(N)c(C#N)c3N)cc1,0,0,0,0
O=C(NCCCO)C(=O)c1c(-c2ccccc2)cc2ccccn12,0,0,0,0
Cc1nc(NCCC(C)C)cc(-c2ccc3ncsc3c2)n1,0,0,0,0
Cc1ccccc1N1C(=O)c2ccccc2N2C(=O)c3ccccc3C12,0,0,0,0
COc1cc2nc(=S)n(CCCN3CCOCC3)c(N)c2cc1OC,0,0,0,0
O=C(NC[C@@H]1CC(Br)=NO1)[C@@H]1C[C@@H](Cc2ccccc2)CN1C(=O)OCc1cnc2ccccc2c1,0,0,1,0
CC1CCN(C(=O)CC2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1,1,0,0,0
CN1CCN(CCCCOc2ccccc2-c2ccccc2)CC1,0,0,0,0
CCOc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OCC,1,0,0,0
CN1CCN(c2ncc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)cn2)CC1,0,0,0,0
COc1ccccc1CN1C(=O)C(=O)c2cccc(C)c21,0,0,0,0
OC(COc1ccc2ccccc2c1)CN1CCOCC1,0,0,0,0
CCN(c1ccccc1)c1c(Cl)nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c1Cl,0,0,0,0
Brc1cc2c(cc1Cn1c(-c3cncs3)nc3ccccc31)OCO2,1,0,0,0
COc1cc(-c2cccc(C(F)(F)F)n2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
COC(=O)C1=C(C)NC(C)=C(C(=O)NCCCN2CCC(c3ccccc3)(c3ccccc3)CC2)C1c1ccc2ccccc2c1,0,0,0,1
Cc1cc(C)cc(NC(=O)COC(=O)c2n[nH]c3ccccc23)c1,1,0,0,0
Cn1c2ccccc2c(=O)c2ccc(C#CC3(N)CCCCC3)cc21,1,1,0,0
CC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(C#N)cc4F)CC3)nc2C1,0,0,0,0
Cc1cc(-c2ccc(N(Cc3cccnc3)C(=O)c3ccc(O)cc3O)cc2)cnc1Cl,0,0,0,0
O=c1[nH]c(NCc2ccccc2)cc2ccccc12,0,0,0,0
CC(C)(C#N)CC1CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1,0,0,0,0
O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc2c(c1)OCCO2,1,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(Br)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
COc1cc(O)cc(C)c1C(=O)OC1C(CO)OC(n2ccc(=O)[nH]c2=O)C1O,0,0,0,0
Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3cccc(Cl)c3)ccc12,0,0,0,0
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccc(OC)c(OC)c2)c(O)c1,0,0,0,0
O=c1c2ccccc2[nH]c(=S)n1CCc1ccccc1,1,0,0,0
Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(C)CC1,0,0,0,0
CSc1nn2cc(-c3nc4ccc(OCCN5CCCC5)cc4o3)nc2s1,0,0,0,0
c1ccc(-c2nn3c(-c4ccncc4)nnc3s2)nc1,0,0,0,0
CCOC(=O)C(=CNc1ccc(N2CCOCC2)cc1)C(=O)OCC,0,0,0,0
O=C1CN(C(=O)COc2ccccc2F)c2ccccc2N1,0,0,0,0
O=C(CCl)Nc1cccc(Oc2cc(NC3CCCC3)ncn2)c1,0,0,1,0
CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)O,0,0,0,0
CCNc1ncc2nc(-c3cccc(C#N)c3)c(=O)n(CCC#N)c2n1,0,0,0,0
O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCC2(CC1)OCCO2,0,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(Cl)cc5)ccc4c3=O)cn2)C1,0,0,0,0
COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(OC)cc(OC)c32)cc1,0,0,0,0
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccccc2)ccc1Cl,1,0,0,0
CC=CC(=O)OCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1,0,0,0,0
O=S(=O)(c1ccccc1)N1CCC(O)(CN2CCN(c3ccccc3)CC2)CC1,0,0,0,0
COC(=O)C(C)(C)NC(=O)c1cccc(C2CCCCC2)n1,0,0,0,0
CSCCC(NC(C)=O)C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,1,0,0,0
Cc1nn(C)cc1/C=N/NC(=S)Nc1ccccc1,0,1,0,0
CN(C)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Br)cc12,0,0,1,0
COC(=O)C1(OC)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)N(C)C4,0,0,0,0
[C-]#[N+]c1cccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)c1,0,0,0,0
O=C1NC(=O)C2=C1c1cn(c3ccccc13)CCO[C@H](CN1CCCC1)CCn1cc2c2ccccc21,0,0,0,0
c1nc(Nc2ccc3[nH]ccc3c2)c2sccc2n1,0,0,0,0
NCC1CCC(CNc2nc(NCc3ccccc3-c3ccccc3)ncc2[N+](=O)[O-])CC1,0,0,0,0
CCc1c(C)nc2ncnn2c1Nc1ccc(C)cc1,0,0,0,0
CC(C)C1(c2cccs2)OCC(=S)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0,0,0,0
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)C1=Cc1cccs1,1,0,0,0
Cc1csc(=Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1Cc1ccccc1,0,0,0,0
CC1=C(C(=O)N2CCN(c3cc(C)ccc3C)CC2)C2(CCCCC2)OC1=O,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)N(C)c4ccc(Cl)cc4)c(=O)c23)CC1,1,0,0,0
C=C(C)CN(CC)C(=O)CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1,1,0,0,0
CSCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,0,0,0,0
CCNC(=O)c1c(NC(C)=O)sc2c1CCCC2,0,0,0,0
CCc1cc2c(cc1N1CCN(CC3(CO)COC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CN1CCCCC1C2,0,0,0,0
COc1cccc(C(=S)N2CCCC2)c1OC,0,0,0,0
Cc1ccccc1N(C(=O)C[S+]([O-])CC(=O)Nc1ccc(F)cc1)C(C)C(=O)NC(C)(C)C,1,0,0,0
CN1C(=CC=C2C(=O)Oc3ccccc3C2=O)C(C)(C)c2ccccc21,1,0,0,0
O=C(c1ccc(Oc2ncccc2N2CCOCC2)cc1)c1nc2ccccc2[nH]1,0,0,0,0
CCOC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
CC(Nc1ccc(Cl)cc1)c1cc(Cl)ccc1O,0,0,0,0
COc1ccc2nc(NC(=O)C34CC5CC(CC(NC(C)=O)(C5)C3)C4)sc2c1,1,0,0,0
COc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CNc1cc(-c2c(C)noc2C)ncn1,0,0,0,0
CCOc1cc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(C)cc4)n3)cc2)ccc1OCC(=O)O,1,0,0,1
O=C(c1ccco1)N1CCN(C(=O)c2sccc2-c2ccccc2)CC1,0,0,0,0
COc1ccc(NCc2ccc(OC)c(OC)c2)cc1,0,0,0,0
COC[C@@H]1C[C@]12N=C(c1ccc(Cl)cc1)c1c(sc(C)c1C)-n1c(C)nnc12,0,0,0,0
O=C(OCC(=O)N1CCCCC1)c1cc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O,1,0,0,0
O=C(Cc1ccc(O)c(O)c1)OCc1ccccc1,0,0,1,0
O=C(N/N=C\c1ccccn1)c1ccccc1O,0,1,0,0
Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CCCN(C)CC2)cc1Cl,0,0,0,0
COc1ccccc1-n1nc(OC2CCN(C(C)=O)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
Cn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0,0,0
Cc1cc(C)c(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C,0,0,0,0
Cc1ccc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(C)n1,0,0,0,0
CCc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1,0,1,0,0
Cc1ccc(S(=O)(=O)/N=C(/c2ccc(F)cc2)N2CCCCC2)cc1,0,0,0,0
Cc1cc2c(s1)c1cnn(Cc3ccccc3F)c(=O)c1n2Cc1ccccc1F,0,0,0,0
CCC(C(=O)N1CCN(c2cc(C)ccc2C)CC1)n1nc(C)n2c(cc3occc32)c1=O,1,0,0,0
NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccccc2)cc1,0,0,0,1
CC(C=CC=C(C)C=CC1=C(C)C(O)C(=O)CC1(C)C)=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(O)C(=O)CC1(C)C,0,0,0,0
O=c1cc(NC2CCN(C/C=C/c3ccccc3)CC2)c2cc(Cl)ccc2o1,0,0,0,0
O=C(Nc1ccc2sccc2c1)c1cccc(N2C(=O)CCC2=O)c1,0,1,0,0
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc1,0,0,0,0
COC(=O)c1ccccc1OP1(=O)COc2ccccc2OC1,0,0,0,0
COc1ccc(-n2nc(S(C)(=O)=O)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,0,0,0,0
CC1(C)CC(=O)C2C(=Nc3ccccc3NC2c2nc3ccccc3[nH]2)C1,0,0,0,0
CN1C(=O)N(c2ccnc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1CCCC1,0,0,0,0
CC1=CN(C)C2=NC(N)NC(=O)C2=C1,0,0,0,0
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CC(=O)O,1,0,1,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(OC)c(OC)c(OC)c2)CC1,1,0,0,0
CC(=O)C1=CCCCC1,0,0,1,0
COc1ccccc1N1CCN(C(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1,1,0,0,0
CC(C)Oc1ccc(Nc2nc(=O)n(Cc3cccc(C(=O)O)c3)c(=O)n2Cc2ccc(Cl)cc2)cc1F,0,0,0,0
COc1ccc2c(c1)CC/C2=N\OC(=O)c1ccccc1OC,0,1,0,0
Cc1cc(C=C2NC(=O)NC2=O)c(C)n1-c1sc2c(c1C#N)CCCC2,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC(F)(F)F)c12,0,0,0,0
Cc1cccc(-c2ccc(NCC3CCC4(CC3)CN(c3cccnn3)C(=O)O4)nc2)n1,0,0,0,0
COc1ccc2c(c1)CC(=O)NC=C2,0,0,0,0
C[C@@H]1CC[C@@H](Oc2nccc3ccccc23)CN1C(=O)c1ccccc1-n1nccn1,0,0,0,0
CC(C)=CCCC(C)(OC1OC(CO)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)CCC(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3C(O)CC12C,1,0,0,0
O=C(NN=Cc1ccc(OCc2cnc(Cl)s2)cc1)c1ccncc1,0,0,0,1
CCOc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(NC)o2)cc1,0,0,0,0
c1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,0,0,0,0
O=C1NC(=O)c2cc(Nc3cccc(O)c3)c(Nc3cccc(O)c3)cc21,0,0,0,0
O=c1ccoc2ccc(CCN3CCC(Cc4ccc(Br)c(OCCO)c4)CC3)cc12,0,0,0,0
Cc1ccc(-n2[nH]c3c4c(ccc3c2=O)C(=O)c2ccccc2C4=O)cc1,1,0,0,0
COc1ccc(N2CCC(CNC(=S)Nc3cc(C)cc(C)c3)C2)cc1,0,0,0,0
O=C(OCCCCN1CCC(c2ccccc2)CC1)C1(c2ccccc2)CCCC1,0,0,0,0
CCN(CC)c1ccc2c(C)c(CN3CCOCC3)c(=O)oc2c1,0,0,0,0
C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@]5(C)[C@@H](CO[C@@]16O[C@@]32[C@H]5C6=O)C(=O)O4,0,0,0,0
COc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1,0,0,0,0
CCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CCN(CC)CC3)cc2n1,0,0,0,0
COc1ccc(CNC2=NC(=O)CC(C(=O)Nc3ccc([N+](=O)[O-])cc3C)S2)cc1,0,0,0,0
CC(C)Oc1ccccc1OC(C)C1=NCCN1,0,0,0,0
Cc1cccc(C)c1Oc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1,0,0,0,0
O=C(N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12)OCCl,0,0,0,0
NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
Cn1c(=O)c2c(nc(N3CCC(C(N)=O)CC3)n2CCSc2nc3ccccc3s2)n(C)c1=O,0,0,0,0
Cc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)oc2ccccc12,1,0,0,0
COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12,0,0,1,0
Cc1ncn(CC(=O)NC(C)(C)CN)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
CCOC(=O)c1c(-c2cccc(Cl)c2)[nH]c2c1cc(O)c1ccccc12,0,0,0,0
FC(F)(F)Oc1ccc(Nc2cc(-c3ccc4[nH]ccc4c3)ncn2)cc1,0,0,0,0
O=C1OC(c2ccccc2)=NC1=CNc1ccccc1,0,0,0,0
COC(=O)Nc1nc2ccc(Oc3ccc(NC(=O)Nc4cccc(C(=O)O)c4)cc3)cc2[nH]1,0,1,0,0
C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(C(=O)Nc4ccccn4)cc3)n2)c1,0,0,1,0
Cc1cc(C)c(-c2nc(CO)[nH]c2C)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
Cc1cc(Br)ccc1NCc1ccccn1,0,0,0,0
Oc1ccc(OCCNCCCOc2ccccc2)cc1,0,0,0,0
CC(C)(N)C(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC(F)(F)F)cc1,0,0,0,0
Cc1cccn2nc(CCc3ncc(-c4cccs4)[nH]3)nc12,0,0,0,0
CCOC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1,0,0,0,0
CCOc1cccc(/C=N/NC(=S)Nc2ccccc2[N+](=O)[O-])c1O,0,0,0,0
CCOC(=O)c1c(-c2ccccc2Cl)cn2ccccc12,0,0,0,0
COc1ccc(CN=Cc2c(C(F)(F)F)[nH][nH]c2=O)cc1,0,0,0,0
FC(F)(F)c1cnc(Oc2ccccc2-c2nnco2)c(Cl)c1,0,0,0,0
Cc1cc(=O)n(Cc2ccccc2)c2ccccc12,0,0,0,0
CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)cc1,1,0,0,0
COC(=O)CCc1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
CC(C)NCc1ccc(-c2cc(-c3cccc(C(=O)N[C@H](C)C#N)c3)no2)cc1,0,0,0,0
Cc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(C)cc2)cc1,0,0,0,0
O=c1ccc2nc(-c3ccccc3)n(-c3ccccc3)c2[nH]1,0,0,0,0
O=C1OC(C[n+]2ccn3ccccc32)CC1(c1ccccc1)c1ccccc1,0,0,0,0
CN1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2C1,0,0,0,0
O=S(=O)(c1ccc(F)cc1)N1CCC(N2CCN(c3ccccc3)CC2)CC1,0,0,0,0
COC(=O)c1ccc(CSc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1,0,0,0,0
c1cc(-c2nc(N[C@@H]3CCNC3)c3sccc3n2)cc(Nc2ccc(-c3ccsc3)cc2)n1,0,0,0,0
COc1ccc(CN2CCNCC2)c(OC)c1OC,0,0,0,0
CCOc1ccc(N2C(=O)CC(Cc3ccccc3OC)C2=O)cc1,0,0,0,0
COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1,0,0,0,0
Cc1ccc(CSCC(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,1,0,0,0
CC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,0,0,0,0
CC1(C)CC(=O)C2=C(C1)N(N1CCOCC1)C(N)=C(C#N)C2c1cccnc1,0,0,0,0
Nc1nc(=O)c2c(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c[nH]c2[nH]1,0,0,0,0
Cc1cccc2c1nc(COc1ccc(Cl)cc1)n2CCCC1CCN(CCC(C)C)CC1,0,0,0,0
O=C(OC[C@H]1CC[C@@H](c2ccccc2)N1S(=O)(=O)c1ccc(Cl)cc1)N1CCN(CCO)CC1,0,0,0,0
CCOc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CN1CCC(O)(C#Cc2cc3c(cc2F)OCCc2sc(C(N)=O)nc2-3)C1=O,0,0,0,0
Cc1cccc(-c2nnc3sc(-c4ccccc4C)nn23)c1,1,0,0,0
Cc1cccc(Cn2c(C(C)(C)C)cc3cccnc32)c1,1,0,0,0
S=c1[nH]nc(-c2cccnc2)n1Cc1ccccc1,0,0,0,0
CCc1ccccc1NS(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2,0,0,0,0
Cc1cc(-c2c(F)cc3c(=O)c(Cc4cccc(O)c4O)cn(C4CC4)c3c2F)cc(C)n1,0,0,0,0
CCn1c(-c2ccc(OC)cc2)c(C)c2cc(OC)ccc21,0,0,0,0
c1ccc(-c2ccccc2-n2cnnn2)cc1,0,0,0,0
COC(=O)C(NC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1)C(F)(F)F,0,0,0,0
C[C@@H]1CCCN1CCCOc1ccc(-c2ccc(=O)n(-c3ccccc3)n2)cc1,0,0,0,0
CN1CCN(Cc2cc3cc(-n4cnc5cc(-c6ccc(Cl)cc6)sc5c4=O)ccc3s2)CC1,0,0,0,0
O=C(Cc1cccnc1)Nc1ccc2[nH]c(=S)sc2c1,0,0,1,0
Cc1c(Nc2c(C#N)cncc2-c2ccc(CN3CCOCC3)o2)ccc2[nH]ccc12,0,0,0,0
COc1ccccc1N1CCN(CC(=O)Nc2cc(F)ccc2C)CC1,1,0,0,0
Cc1cc(C)cc(-n2cccc2/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)c1,0,1,0,0
Cn1cc(-c2ccc3[nH]ccc3c2)c(-c2ccncc2)n1,0,0,0,0
Cc1ccccc1Oc1ccc(S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1,0,0,0,0
CN(C)CC1CCC(Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(c23)NC(c2ccccc2)NC4=O)cc1,0,0,0,0
O=C1CSC2=NCN(c3ccccc3)CN12,0,0,0,0
O=C(c1ccc(F)cc1)c1c[nH]c(C(=O)NCCCN2CCOCC2)c1,0,0,0,0
COC1CCN(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1,0,0,0,0
O=c1[nH]nc(-c2ccccc2)c2nn(-c3ccccc3)cc12,0,0,0,0
CS(=O)(=O)c1ccc(-c2cnc(N)c(-c3cc4ccccc4[nH]3)n2)cc1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(C)cc3C)CC2)n[nH]1,0,0,0,0
CCOc1cc(CNCCSc2nnnn2-c2ccccc2)ccc1OC,0,0,0,0
COC(=O)c1c(/N=C/N(C)C)sc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2,0,0,0,0
COc1ccccc1CNc1cc(C)ccc1C,0,0,0,0
CC[C@H]1C(=O)N[C@@H](C(=O)O)[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](/C=C/C(C)=C/[C@H](C)[C@H](Cc2ccccc2)OC)[C@H](C)C(=O)N[C@@H](C(=O)O)CCC(=O)N1C,0,0,0,0
CC1CCN(c2nc3ccc(C(=O)O)cc3s2)CC1,0,1,0,0
CC1=C(C(=O)OCc2ccc(C)cc2)C(c2c(Cl)cccc2Cl)CC(=O)N1,0,0,0,0
O=P(O)(O)C(Nc1cncc(Cc2ccccc2)c1)P(=O)(O)O,0,0,0,0
N#Cc1cc(-c2ccccc2)nnc1Sc1ccc(Cl)cc1,0,0,0,0
COc1cccc(/C=N/NC(=O)CN2CC(c3ccccc3)CC2=O)c1O,0,1,0,0
CN1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1,0,0,0,0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCc1ccccc1Br,0,0,0,0
O=C(c1cn2ccccc2n1)N1CCN(CCc2ccc(F)cc2F)CC1,0,0,0,0
CCCCCCCCNc1ncnc2ccccc12,0,0,0,0
Nc1cccc(Cl)c1N1CCOCC1,0,0,0,0
COc1ccccc1-n1nc(OC2CCN(C(=O)N(C)C)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
Cc1c(C(=O)OCc2nc(=O)c3sccc3[nH]2)oc2ccccc12,0,0,0,0
C=C(CC)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CC(NC(=O)[C@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(Cl)c12)C(F)F,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(C(=O)O)c2C)c1,0,0,0,0
NS(=O)(=O)c1ccc(N2N=C(c3ccccc3)CC2c2ccc(F)cc2)cc1,1,0,0,0
CCOC(=O)c1ccc(C2CCCc3cncn32)cc1,0,0,0,0
Cc1cc(OCC(=O)N(C)C2CCCCC2)ccc1Cl,0,1,0,0
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc(N)c2)cc(OC)c1OC,0,0,0,0
CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(NC(=Nc2ccccc2Br)NC#N)c1O)N1CCC(N)CC1,0,0,0,0
CC(CNS(C)(=O)=O)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CCN(C)C)CC2,0,0,0,0
Cn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)c(C)c1,0,0,0,0
OCCOCCNc1ncnc2nc[nH]c12,1,0,0,0
Nc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2c(C(F)F)c(-c3cccc4nnsc34)oc12,0,0,0,0
c1cnc(Oc2ccc3oc4ccccc4c3c2)nc1,0,0,0,0
COc1cccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)c1,0,0,0,0
N=C(N)c1ccc(Oc2ccc(NS(=O)(=O)c3cccc4cccnc34)c(Oc3ccc(C(=N)N)cc3)n2)cc1,0,0,0,0
CCC(C)NC(=O)[C@H](CSCc1ccccc1)N1Cc2ccccc2C1=O,0,0,0,0
Cc1c(OC(=O)N(C)C)ccc2c1OC(=Cc1ccco1)C2=O,0,0,0,0
Cc1noc2c1-c1sc(C)c(C)c1C(c1ccc(N)nc1)=N[C@H]2CC(N)=O,0,0,0,0
CCOc1cc(C(=O)N2CCCC2)cc(OCC)c1OCC,0,0,0,0
Cc1nc(NC(C)c2ccc(Cl)c(O)c2)cc(-c2ccc3occ(C)c3c2)n1,0,0,0,0
OC[C@@H]1O[C@H](c2ccc(Cl)c(Cc3ccc(OCC4CN(c5ccc(F)cc5)C4)cc3)c2)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
CC(C)CC(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,0,0,0,0
CCn1c(C)c(C(C)=O)c(SC)nc1=S,0,0,0,0
COCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1,0,0,0,0
CNC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C1CC1)C1CC1,0,0,1,0
CC(C)N1Cc2c(Nc3ccc(Cl)cc3)nc(N3CCOCC3)nc2C1=O,0,0,0,0
O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2,0,0,1,0
CCC(=O)Nc1nc(C)c(Oc2ccccc2)c(=O)[nH]1,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@@H](O)[C@@H](COCP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc3c(c2)CCN3)CC1,0,0,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)nc1,0,0,0,0
NCCCC(CC(=O)NC1CCNCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)CC(CO)NC(=O)C1CNCCC1N,1,0,0,0
Clc1ccc2c(c1)C(c1ccccc1)=NCc1nncn1-2,0,0,0,0
O=C1c2ccccc2CN1CCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
COCC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
N#Cc1c(-c2ccccc2)cc(C2CC2)nc1SCC(=O)c1cccs1,1,0,0,0
Cc1ccc(/C=C2\SC(N3CCN(C(c4ccccc4)c4ccccc4)CC3)=NC2=O)o1,1,0,0,0
COCc1cc(=O)n2nc(-c3cccs3)cc2[nH]1,0,0,0,0
COc1ccc(OCc2ccc(/C=N\NC(=O)c3sccc3C)o2)cc1,0,1,0,0
COc1ccccc1-c1ccc(C=C2C=CC(=O)O2)o1,0,0,0,0
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@](C)(CS2)C(=O)N[C@@H](C(C)C)C(=O)O1,0,0,0,1
Oc1ccc(C2=NN(c3cccc(Cl)c3)C(c3ccc(O)c(F)c3)C2)c(O)c1,0,0,0,0
Clc1ccc(C2=NCCn3nc4ccccc4c32)cc1,0,0,0,0
Nc1ccc(C#Cc2ccc3c(=O)c4ccccc4oc3c2)cc1,0,0,0,0
O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(Br)cc2)C1,0,0,0,0
CCOc1ccc(-c2n[nH]c(C)c2Oc2ccc(OC)cc2)c(O)c1,0,0,0,0
O=c1c2oc3ccccc3c2n(Cc2cccc(Cl)c2)c(=O)n1Cc1ccc2c(c1)OCO2,1,0,0,0
O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(-c3ccsc3)cc12,0,0,0,0
Cc1ccc(/C=N/NC(=S)N2CCOCC2)cc1,0,1,0,0
Cc1c(Cl)ccc2c1NC(=O)C21NC(CCC(N)=O)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0,0,0
Cc1cc2c(N3CCCCC3C)ncnc2s1,0,0,0,0
Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCC(C)CC3)c(Cl)cc12,0,0,0,0
CCN(CC)CCC(=O)Nc1cccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc12,0,0,0,0
CC(Nc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccsc12)C12CC3CC(CC(C3)C1)C2,0,0,0,0
CCCN1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,0,0,0,0
CN(C)c1c(N)nc2c(c1O)c(=O)n(C)c(=O)n2C,1,0,0,0
N#Cc1cc(Oc2ccc(-n3cc(C[C@H]4COC(=O)N4)c4ccccc43)cc2)ccc1C(F)(F)F,0,0,0,0
CCc1ccc(S(=O)(=O)N2CCCC(N3CCN(c4ccc(OC)cc4)CC3)C2)cc1,1,0,0,0
C=CCc1cccc(CNc2ccc(Br)cc2)c1O,0,0,0,0
COCc1c(C(=O)OCc2nc(=O)c3sccc3[nH]2)oc2ccccc12,0,0,0,0
Cc1ccc(Nc2nnc(SCc3nc4ccccc4c(=O)[nH]3)s2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)n2c(C)nc3cc(C)ccc32)cc1,0,0,0,0
NC(=O)CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccccc1,0,0,0,0
COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCN1CCN(C)CC1,0,0,0,0
CCCCCCCC(=O)SCC/C=C/[C@@H]1CC(=O)NCc2nc(cs2)C2=N[C@@H](CS2)C(=O)N[C@@H](C(C)C)C(=O)O1,0,0,0,0
Cc1ccc(F)c([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)n1,0,0,0,0
CC(C=Cc1ccccc1)=NNC(=O)CCC(=O)Nc1ccccc1C,1,0,0,0
COc1cc(C(=O)OC(C)C(=O)Nc2ccc3c(c2)OCO3)ccc1OCc1c(C)noc1C,1,0,0,0
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)/C1=C\Nc1cccc(F)c1,0,0,0,0
Cc1nc2ccccc2cc1NC(CC(C)C)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
COc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1,0,0,0,0
Cc1[nH][nH]c(=O)c1C=NCc1ccc(Cl)cc1,0,0,0,0
CC1(C)CC(=O)CC(=NNC(=O)Cc2ccccc2)C1,0,0,0,0
O=C(O)c1cc(O)c2c(c1)[C@H]([C@H]1c3cc(C(=O)O)cc(O)c3C(=O)c3c(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)cccc31)c1cccc(OC3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c1C2=O,0,0,0,1
Cc1ccc2oc(=O)n(CCCOc3ccccc3Cl)c2c1,0,0,0,0
Cc1ccc(C)c(N2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C(=O)Nc3ccccc3F)CC2)c1,1,0,0,0
C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccc(OC)cc2)c(O)c1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCN(CC(C)C)CC(C)C)cc3)oc2c1,0,0,0,0
CCOc1ccccc1Oc1coc2cc(OC)ccc2c1=O,0,0,0,0
NC(=O)c1cc2ccc(O)cc2oc1=NCc1ccccc1,0,0,0,0
CCCc1cccc(-c2cc(NC(=O)[C@@H]3CNC(=O)C3)nn2CCc2ccccc2)c1,0,0,0,0
COc1cc(OCc2csc(C3(c4ccccc4F)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CC(C)C[C@H](N)C(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
O=C(CCl)Nc1cc(-c2ccccc2)nn1-c1ccccc1,0,0,0,0
CCC(C)(C)n1nnnc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
N=C(N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1,1,0,0,0
Cc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1C,0,0,0,0
O=C(O)CCn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CCCc1cc(=O)oc2cc(OCc3ccc(OC)cc3)c(Cl)cc12,0,0,0,0
COC(=O)C1=C(C)NC(=Cc2ccc(O)c(OC)c2)C1=O,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(COCC(C)O)cc2Cl)cc1,0,0,0,0
C#CCSc1nc2sc3c(c2c(=O)n1C)CCC3,0,0,0,1
O=C1C[C@H](NC(=O)[C@@H]2CCc3nc4cc(-c5ccccc5)[nH]c4c(=O)n32)C(O)O1,0,0,0,0
COc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1,0,1,0,0
COc1nc(C2=NN(c3ccc(C#N)c(C)n3)[C@@H](C3CCCC3)C2)ccc1C(N)=O,0,0,0,0
Cc1ccc2c(c1)NC(=O)CC(c1ccccc1)=N2,0,1,0,0
O=C1Nc2ccccc2/C1=C/c1cccnc1,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cn2)c1C,0,1,0,0
COc1ccc(C(=O)OCC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1OC,1,0,0,0
COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c(OC)c1,1,0,0,0
O=C1CCc2ccc(OC3CCN(C[C@@H]4COc5c(ccc6c5CC(=O)N6)O4)CC3)cc2N1,0,0,0,0
Cc1ccc2oc(=O)c3cnn(CC(=O)N4CCN(c5ccccn5)CC4)c3c2c1,1,0,0,0
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(C#N)cc3)[C@@H](C)C2)CC1,0,0,0,0
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNC(CO)C2,0,0,0,0
COc1ccc(C=C(NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc3c(c2)OCO3)cc1OC,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(=N)N)CSSC[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc4ccccc4)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc4ccc(O)cc4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC3=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC1=O,0,0,0,0
CC1(C)Oc2ncnc(N)c2NC1c1ccc(C2CCC(CC(=O)O)CC2)cc1,0,0,0,0
CCCCCCCCOc1ccc(C2CC(=O)NC2=O)cc1,0,0,0,0
CC(=O)c1c(COC(=O)c2ccc(Cl)cc2)nc2ccccc2[n+]1O,0,0,0,0
CSc1nn2cc(-c3nc4ccc(OCCF)cc4o3)nc2s1,0,0,0,0
O=C(c1ccc(=O)[nH]c1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1,0,0,0,0
CCOC(=O)c1c(C)sc2c1N(C(=O)CCl)c1cc(Cl)ccc1S2,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cccc12,0,0,1,0
C=CCN1c2ccccc2C23CC(C(=O)OC)N(C(=O)c4cccs4)C2=NC(C(=O)OC)=C(C(=O)OC)C13,1,0,0,0
NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-n2nccn2)n1,0,0,0,0
O=c1cc(CN2CCN(c3ccc(F)cc3)CC2)nc2sccn12,0,0,0,0
Cc1nnc(SCc2nc3ccccc3[nH]2)s1,0,0,0,0
Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)c(F)c(-c2cccc(F)c2)c1,0,0,0,0
CC1CCCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)C1,0,1,0,0
COc1cc(/C=N/NC(=S)Nc2cccc(C(=O)O)c2)ccc1O,0,1,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1c(Cl)cccc1Cl,0,0,0,0
CCC(C)(C)NC(=O)c1ccc2c(c1)N(CC(=O)OC)C(=O)C(C)(C)O2,0,0,0,0
C/C(=N\NC(=S)Nc1ccccc1C)c1ccc(O)cc1,0,1,0,0
CN(C)/C=N/c1nc2nccc(-c3cccnc3)n2n1,0,0,0,0
O=C(CC(c1cccs1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1,0,1,0,0
CCC(C)NC(=O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1,0,0,0,0
Cc1ccc(CNCC2(F)CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)nc1-n1cccn1,0,0,0,0
Cc1nc2ncc(Oc3ccc(Br)cc3F)cc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,0,0,0,0
COc1ccc2nc(Nc3nc(-c4cc5ccccc5oc4=O)cs3)sc2c1,0,1,0,0
N#Cc1c[nH]n2c(NC3CCCCC3)c(-c3cccc(Cl)c3)nc12,0,0,0,0
O=C(c1ccc(C[S+]([O-])c2ccccc2Cl)o1)N1CCN(c2cccc(Cl)c2)CC1,1,0,0,0
COc1cccc(N(CCC2CCN(Cc3ccccc3)CC2)C(C)=O)c1,0,0,0,0
CC(=O)N(Cc1ccccc1)c1ccc(C(=O)O)cc1,0,0,0,0
NS(=O)(=O)c1nnc(NC(=O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)Nc2nnc(S(N)(=O)=O)s2)s1,0,0,0,1
COc1ccc(C2SCC(=O)Nc3c2c(=O)[nH]n3C2CCCCC2)cc1,1,0,0,0
COc1ccc(CN)cc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O,0,0,0,0
Cc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4ccccc4C)CC3)C2)n1,1,0,0,0
Cc1c(C2(N3CCCCC3)CCC(c3ccccc3)(N(C)C)CC2)[nH]c2ccccc12,0,0,0,0
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1,1,0,0,0
Clc1ccc(CON=C(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,0,0,0,0
CCOC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
Cc1ccc(-c2nnc(N(NC(=S)C(=O)Nc3ccccc3)c3ccccc3)n2-c2ccccc2)cc1,1,0,0,0
Cn1c(O)c(C(=NCCN2CCCCC2)c2ccccc2Cl)c(=O)n(C)c1=O,0,0,0,0
O=c1ccc2c(OCCCCOc3ccc(Cl)cc3)c3ccoc3cc2o1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc12,0,0,1,0
Cc1cc2ncc3c(n2n1)CN([C@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3,0,0,0,0
CC(=O)NNc1ncnc2ccccc12,0,0,0,0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCC1CCC(F)(F)CC1,0,0,0,0
Cc1cc(Nc2c(C)cccc2C)n2nc(C)nc2n1,0,0,0,0
COC(=O)c1ccc(S(=O)(=O)N2CCN(CCO)CC2)n1C,0,0,0,0
O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N(Cc1ccccc1)c1ccc(F)cc1,1,0,0,0
COC(=O)c1c(NC(C)=O)sc2c1CCCC2,0,0,0,0
COc1cc(-c2nc3cnccn3c2Nc2ccc(C(C)C)cc2)ccc1O,0,0,0,0
O=[N+]([O-])c1ccc(N2CCN(c3ccc(O)cc3)CC2)c(Cl)c1,1,0,0,0
C=C(COc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(OCC(=C)C(=O)OC)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4)C(=O)OC,0,0,0,0
Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2cccnc2)c2cc[nH]c2c1=O,0,0,0,0
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCCO,0,0,0,0
Cc1ccc(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,0,0,0,0
CCOc1ccc(C(=O)Nc2cccc(C(=O)OCc3cc(=O)n4nc(C5CC5)sc4n3)c2)cc1,0,1,0,0
COc1cccc(CN(C)Cc2ccc(-c3cc4cc(OC)c(OC)cc4oc3=O)cc2)c1,0,0,0,0
O=[N+]([O-])c1cccc(C(=S)N2CCCC2)c1,0,0,0,0
Cc1noc(C)c1C(=O)N1CCC2(CCN(Cc3nccs3)CC2)CC1,0,0,0,0
Cc1sc2ncn(CC(=O)N3CCN(c4ccc(F)cc4)CC3)c(=O)c2c1S(=O)(=O)N1CCN(c2ncccn2)CC1,1,0,0,0
O=C(OCc1cc(=O)n2nc(-c3cccs3)sc2n1)c1ccc(F)cc1,0,0,0,0
O=S(=O)(c1cccc(F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccccc3)C(=O)C(=O)O)ccc21,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2ccn(CC(C)(C)C)n2)CC1,0,0,0,0
CCC1CCc2c(sc(NC(C)=O)c2C#N)C1,0,0,0,0
COc1cc(C=C2SC(=Nc3ccc(N4CCOCC4)cc3)N(C)C2=O)ccc1OC(C)C(=O)O,0,0,0,0
COCCNC(=O)C(c1ccc(C)o1)N(Cc1ccco1)C(=O)c1snc(C(N)=O)c1N,0,0,0,0
Cc1ccc(C)c(CN2C(=O)C(O)(c3c(C)[nH]c4ccccc34)c3ccccc32)c1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccc(=O)[nH]2)CC1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1ccccc1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)C3COc4ccccc4O3)CC2)cc1,0,0,0,1
O=C(CCl)Nc1noc2ncccc12,0,0,1,0
Nc1nccc2cc(C[C@H](C(=O)O)N3CC[C@H](NS(=O)(=O)c4cnc(N5CCC5)s4)C3=O)c(OC(F)(F)F)cc12,0,0,0,0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0,0,0,1
CCCCNC(=O)C(=O)NCCCC/C=C\CCCCCCc1nn[nH]n1,0,0,0,0
CCc1ccc(S(=O)(=O)c2nnn3c2nc(NC(C)C)c2cc(Cl)ccc23)cc1,0,0,0,0
Cc1nc(N)nc2c1CCCC2,0,0,0,0
CCN(CC)C(=O)CSc1nc(C)cc(-c2cccs2)c1C#N,0,0,0,0
O=C(Nc1ccc(N2CCCC(O)C2)cc1)c1snc2c(=O)[nH]cnc12,0,1,0,0
COCC(=O)Nc1ccc(F)c([C@@]23COC[C@@H]2S(=O)(=O)C(C)(C)C(N)=N3)c1,0,0,0,0
Cc1c(C(=O)N(C)C(C)c2ccccn2)oc2c(F)cccc12,1,0,0,0
CCn1cc(C(=O)O)c(=O)c2ccc(-c3ccncc3)cc21,0,0,0,0
CCOC(=O)C(=O)C(=CN(C)C)c1onc(-c2c(Cl)cccc2Cl)c1C(=O)OC,0,0,0,0
CC(C)CC(=O)CC1(O)C(=O)Nc2ccccc21,0,0,0,0
O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)NC1CCS(=O)(=O)C1,0,1,0,0
CNc1nc(C)c(-c2nc(Nc3cccc(C(=O)NC4CCN(C)CC4)c3)ncc2C#N)s1,0,0,0,1
Fc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
Cc1cccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
C[C@H]1CCCN1c1cccc(Nc2cc(-c3ccc4ncsc4c3)nn3ccnc23)n1,0,0,0,0
Nn1cnc2sc3c(c2c1=O)CCC3,0,0,0,0
O=C(O)C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1,0,0,0,0
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CCNCC1,0,0,0,0
COc1cc(-c2nc3ccccc3nc2-c2ccc(O)c(OC)c2)ccc1O,0,0,0,0
CN1C(=O)[C@]2(C)O[C@](C)(C1=O)[C@H]1C(=O)N(c3ccc(C#N)c(C(F)(F)F)c3)C(=O)[C@H]12,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(C(N)=O)cc2)S1)c1ccc(F)cc1,0,0,0,0
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1cccs1,0,0,0,0
O=c1cc(-c2ccccc2)nc2n1Cc1ccccc1-2,0,0,0,0
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc12,0,0,0,0
CCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0,0,0
COc1ccc(C=C2N=C(C(C)(C)C)OC2=O)c(OC)c1,0,0,0,0
CCN1C(=O)C2C(C1=O)N1C(c3ccccc3)C3C(=O)N(CC)C(=O)C3N1C2c1ccccc1,0,0,0,0
CCN1C(=O)C2C(N=C(N=[N+]=[N-])N2Cc2ccc(O)cc2)N2C1=N[C@@H]1CCC[C@@H]12,0,0,0,0
COc1cc(CNC(=O)c2ccc(NC(=O)N3CCCCc4ccccc43)cc2)cc(OC)c1OC,1,0,0,0
COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc23)cc1Cl,0,0,0,0
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@@H](n3ccnc3)C[C@@H]12,0,0,0,0
Cc1c(N[C@H]2CCCNC2)nc2ccnn2c1Nc1ccc(OCCN2CCOCC2)cc1,0,0,0,0
CCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1,0,0,0,0
CCCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4,0,0,0,0
Cc1nc(C)n(-c2ccc(Nc3cc(-c4ccn(-c5cccc(C#N)c5)n4)ccn3)cc2)n1,0,0,0,0
COCCCn1c(Cc2csc(Nc3cccc(Cl)c3)n2)nnc1SCC(=O)OC1CCCCC1,0,0,0,1
CC1(C)CC2(CCCN(C3CCN(C(=O)c4c(N)sc5ccccc45)CC3)C2)C(=O)O1,0,0,0,0
CC1=C(C(N)=O)C(c2ccc(Cl)cc2)NC(=O)N1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(C#N)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
CCn1nc(C)c2c(-c3ccccc3)cc(=O)n(C(C)C(=O)Nc3ccc(OC)c(OC)c3)c21,1,0,0,0
N#Cc1nc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)ccc1N1CC[C@H](F)C1,0,0,0,0
CCOc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)cc1OC,0,0,0,0
COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCCc3cccc(C)c3)c(C)n2n1,1,0,0,0
COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
Cc1ccccc1-n1c(C=Cc2c(C)n(C)c3ccccc23)nc2ccccc2c1=O,0,0,0,0
Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1,0,0,0,0
Nc1cc(Cl)c2nonc2c1[N+](=O)[O-],0,0,0,0
O=c1[nH]nc(-c2ccccc2)c2nn(-c3ccc(Br)cc3)cc12,0,0,0,0
COc1ccc(NC(=O)CSc2nc3c(cc2C#N)CN(C)CC3)cc1,1,0,0,0
Fc1ccc(CN(Cc2ccccc2)C(c2cccs2)c2nnnn2C2CCCCC2)cc1,1,0,0,0
COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,1,0,0,0
Cc1cc(C(=O)OCCN2C(=O)c3ccccc3C2=O)c2ccccc2n1,1,0,0,0
COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cn(C)nc3C)c(=O)n12,0,0,0,0
COc1ccccc1N1CCN(CCCCN2C(=O)N3CCCC3(CCCCCCCNS(=O)(=O)c3cccc4c(N(C)C)cccc34)C2=O)CC1,0,0,0,0
COc1ccc(-c2c(-c3ccc(OC)c(C)c3O)n[nH]c2C)cc1,0,0,0,0
CCN(c1cccc2c1C/C=C/CCc1cc(C)[nH]c(=O)c1CNC2=O)C1CCNCC1,0,0,0,0
Fc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1,0,1,0,0
CS(=O)(=O)NC1CCN(c2ncc(Cl)c(-c3ccccn3)c2F)CC1,0,0,0,0
CCNC(=O)Nc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1,0,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(F)c3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
CN(C)CCn1cnc(-c2ccc(F)cc2)c1-c1ccc2[nH]ncc2c1,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(C=Nn2cnnc2)cc1,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(Cl)cc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2cccc(O)c2)CC1,0,0,0,0
O=C1C2CC=CCC2C(=O)N1C1=NN2C(=NC(c3ccccc3)CC2c2ccccc2)N1,1,0,0,0
COc1cc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCO)ccc1OCC(C)C,0,0,0,0
COc1ccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)cc1OC,0,0,0,0
Cc1ccc2nc(SCc3cccc([N+](=O)[O-])c3)nc(C)c2c1,0,0,0,0
Cc1noc(C)c1-c1cc(N)c2ncn(Cc3ccc(C4CO4)cc3)c2c1,0,0,1,0
FC(F)(F)c1cc(COCC(c2ccccc2)N2CCN(Cc3nn[nH]n3)CC2)cc(C(F)(F)F)c1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C/C(C)=O)c3)c12,0,0,0,0
COc1cc(C=C2CCCc3c2nc2ccccc2c3C(=O)O)cc([N+](=O)[O-])c1O,0,0,0,1
O=S1(=O)c2ccccc2N(Cc2ccccc2Cl)c2ccccc21,0,0,0,0
Cc1c(N(Cc2ccc(OCC3CCC3)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)ncc2ccccc12,0,0,0,0
C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(OC)cc2)c(O)c1,0,0,0,0
CCn1c(=O)c2cc(C(N)=O)c(N)nc2n(CC)c1=O,0,0,0,0
Cc1nc2cc(-c3ccn4c(-c5cccc(NC(=O)NCC(F)(F)F)c5)cnc4c3)ccc2s1,0,0,0,0
CCN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1,0,1,0,0
O=C(O)CCNc1ncnc2nc[nH]c12,0,0,0,0
Brc1cccc(OCCN2CCCCC2)c1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@H]2CCN(c3ccc(OC4CC4)cc3)C2)cc1,0,0,0,0
CCCC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
Cc1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1C,0,0,0,0
COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4)cc3)c(=O)oc2cc1OC,0,0,0,0
Clc1cc2c(cc1Cl)Oc1cc(Br)c(Cl)cc1O2,0,0,0,0
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CCN)NC1=O,0,0,0,0
COC(=O)CC1C(=O)NC2CCCCC2N1C(=O)c1ccccc1,0,0,0,0
Cc1cccc(CSc2nnc(-c3ccco3)n2C)c1,0,0,0,0
CC1CCCN1C(=O)c1cc(N)c2nc(-c3ccc(Br)o3)nn2c1,0,0,0,0
O=c1[nH]sc2cc(F)ccc12,0,0,0,0
Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1,1,0,0,0
COc1ccc(-c2nc3c(c(SC)n2)Cc2c(CO)cnc(C)c2O3)cc1,0,0,0,0
C[C@@]1(O)CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)c(F)c3)n2)[C@H](C#N)C1,0,0,0,0
O=S(=O)(Nc1cc(-c2ccc3ncc(N4CCCCC4)nc3c2)cnc1Cl)c1ccc(F)cc1,0,0,0,0
Cc1cc(C(=O)O)nc(N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)c1,0,0,0,0
O=C(c1cc2cc(Nc3nccc(-c4ccccn4)n3)ccc2[nH]1)N1CCN(C2CC2)CC1,0,0,0,0
COc1cc(/C=N/NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc([N+](=O)[O-])c1O,1,0,0,0
C=CCSc1nnc2c(n1)OC(c1ccccn1)N(C(C)=O)c1ccccc1-2,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4cccc(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
COc1cc2nc(-c3ccsc3)c(CNCCc3ccc(Br)cc3)cc2cc1O,0,0,0,0
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCCN2C(C)CCCC2C)c(C)o1,1,0,0,0
Nc1ncc(-c2cc(-n3cccn3)nc(N3CCC(F)(F)C3)n2)cc1OC(F)F,0,0,0,0
CN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C2=O)CC1,0,0,0,0
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(c2nc(N3CCOCC3)ncc2Br)CC1,0,0,0,0
CC(=O)N(C)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1,0,0,1,0
CCOC(=O)c1c(-c2ccc(Cl)cc2)[nH]c2c1cc(O)c1ccccc12,0,0,0,0
COc1nn2cc(-c3ccc(OC(F)F)cc3)nc2s1,0,0,0,0
COc1ccccc1CNCC(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
CCCCC(=O)NC(c1ccc(N(C)C)cc1)c1ccc2cccnc2c1O,0,0,0,0
CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,1,0,0,0
O=c1[nH]nc(Cc2cccc(CNCCc3ccc(C(F)(F)F)cc3)c2)c2c1CCCC2,0,0,0,0
NC(=O)c1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
C=C(Br)CC1(C(C)C)C(=O)NC(=O)N(C)C1=O,0,0,0,0
CNc1nc(-c2ccc(C(=O)N(C)C)cc2)nc2ccccc12,0,0,0,0
C=CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,0,0,0,0
COc1ccccc1C(c1ccccc1OC)N1CCC(O)(c2ccccc2)CC1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(N(C)C)CC1,0,0,0,0
CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3cccc(F)c3)cc(N3CCOCC3)nn12,0,0,0,0
CC[C@@H]1CN(c2ccc(C#N)nn2)CC[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(CC)c3)nc12,0,0,0,0
Cc1ccc([C@@H](C)N2[C@@H]3CC[C@H]2CC(Oc2cccc(C(N)=O)c2)C3)cn1,0,0,0,0
Cc1ccccc1CN1CCN(c2nc3ccccc3s2)CC1,0,1,0,0
O=C(N/N=C/c1ccc2c(c1)OCO2)c1cccc(NC(=O)c2ccccc2Cl)c1,0,1,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc(NC(C)=O)cc3)CC2)cc1,0,0,0,0
CC1CCC(C(=O)c2c(O)c3ccccc3oc2=O)CC1,0,0,0,0
COc1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)c(OC)c1OC,0,1,0,0
CCOc1nc(N=C(N)N)nc2c(C)cccc12,0,0,0,1
CCS(=O)(=O)C[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
COc1cc(CNCCN2CCOCC2)ccc1OCc1ccc(Cl)cc1,0,0,0,0
O=C1CCC(c2cccc(C(=O)O)c2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1,0,0,0,0
C=CC(=O)NCc1cc(-c2cncnc2Nc2ccc(OCc3ccccn3)c(Cl)c2)on1,0,0,1,0
CCOc1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0,0,0
c1ccc2c(c1)ncn2CCCOc1ccc2c(c1)CCC2,1,1,0,0
CC(=O)NC(CC(=O)N(Cc1ccccc1)c1ccc(C)cc1)c1ccccc1,1,0,0,0
O=S(=O)(CC(F)(F)F)Nc1cccc2c1CCCC2c1cnc[nH]1,0,0,0,0
COc1cccc(C(NC(C)=O)c2ccc3cccnc3c2O)c1,0,0,0,0
CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(N)cc3)cc2N)cc1,0,0,1,0
COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NCC3CC3)n1)C(C)(C)CN2,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c2c(n1CC(=O)O)CC(C)(C)NC2=O,0,0,0,0
O=c1cc(CN2CCOCC2)c2cc(Cl)c(O)cc2o1,0,0,0,0
Cn1nnnc1SCc1ccc(C(=O)Nc2nccs2)cc1,0,1,0,0
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(c2cccnc2)CC1,0,0,0,0
CC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3ccc(=O)n(C)c3)cc12,0,0,0,0
NC(=O)c1cccc(OC2C[C@H]3CC[C@@H](C2)N3Cc2ccc3c(c2)OCO3)c1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1cccc(F)c1,0,0,0,0
O=C(O)CCC/C=C\C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1NS(=O)(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)cc1,0,0,0,0
OCCC1CC(O)C(O)C2(CCc3ccccc3O2)O1,0,0,0,0
CCS(=O)(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
COc1cc(CNc2ccccc2SC)ccc1O,0,0,0,0
COc1ccccc1C(=O)NC(C)C(c1cccs1)N1CCOCC1,1,0,0,0
CN(Cc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0,0,0,0
CCOC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2sc3nc(-c4ccccc4)cn3c2C)CC1,1,0,0,0
COC(=O)c1cc2ccsc2n1CC(=O)Nc1ccc(N(C)C)cc1,1,0,0,0
COc1cc(OC)cc(C(=O)Nc2ccc(-n3cnnn3)c(C)c2)c1,0,1,0,0
CCN(CC)C1=NC(=Cc2ccco2)C(=O)N1c1ccccc1,0,0,0,0
CCOCCCNc1c2c(nc3cc(-c4ccc(F)cc4)nn13)CCC2,0,0,0,0
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(O)c(Cl)c1,0,0,0,0
Cn1c(-c2ccccc2)c(CCO)c2ccccc21,0,0,0,0
O=C(O)c1ccc(Cn2cnc3scc(-c4ccccc4)c3c2=O)cc1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3O[C@H]3CCCNC3)cc2F)cn1,0,0,0,0
C=CCN1CC(=O)N2Cc3[nH]c4ccccc4c3CC2C1=O,0,0,0,0
CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4c(F)cc(F)cc43)ccc2=O)c1,0,0,0,0
CC(CO)N=C(N)c1c(Nc2ccc(S(=O)(=O)c3ccccc3)cc2)s[nH]c1=O,0,0,0,0
COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3ncn2c31,0,0,0,0
CCC1(c2ccc(F)cc2)c2c(ccc(F)c2F)N(CCOC)C(=O)N1CC(F)(F)F,0,0,0,0
COc1c(O)ccc2c1[C@]13CCN(C)[C@H](C2)[C@]1(O)Cc1c([nH]c2ccccc12)C3,0,0,0,0
CCCCc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1,0,0,0,0
c1ccc(-c2csc(NN=C3CCCC3)n2)cc1,0,0,0,0
Cc1cc(=O)nc(SCc2ccccc2)[nH]1,0,0,0,0
COc1ccc(C=NN2C(=O)CSC2=S)cc1Br,0,0,0,0
CCN(CC)CCNC(=O)Cc1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
Cc1nc(-c2ccn3c(-c4cccc(NC(=O)NCC(F)(F)F)c4)cnc3c2)cc(N2CCN(CCO)CC2)n1,0,0,0,0
COc1cccc(NC(=O)N(C)C[C@H]2OCc3cn(nn3)CCCC(=O)N([C@@H](C)CO)C[C@@H]2C)c1,0,0,0,0
CC(=O)Nc1cccc(NC(=O)c2csc(C)c2)c1,1,0,0,0
CC(C)CNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0,0,0
CCOC(=O)C1=C(N)OC2=C(C(=O)CC(C)(C)C2)C1C1CCCCC1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccc(Cl)cc2)c2cccc(F)c2)CC1,0,0,0,0
COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1c(C)cc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
CC(C)CCC(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1)C(C)C,0,0,0,0
CC12CC(NC(=O)N1CCc1ccccc1)c1cc(Cl)ccc1O2,0,0,0,0
CCCCn1c(SCC(=O)NCCCOC)nc2c(sc3ccccc32)c1=O,0,0,0,0
Cc1nc(Nc2ccc(S(N)(=O)=O)cc2)sc1-c1ccccc1,0,1,0,0
CCON=C(C)c1c(O)cc(C(C)(C)C)n(-c2ccccc2)c1=O,0,0,0,0
CCOC(=O)C1C(C(=O)OCC)C1(c1ccccc1)c1ccccc1,0,0,0,0
COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccccc5F)n(C)c4=O)cc3F)c2cc1OC,0,0,0,0
CCN(CC)C[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,0,0,0,0
COC(=O)c1scc(S(=O)(=O)C(C)(C)C)c1-n1cccc1,0,0,0,0
O=C1/C(=C/c2ccccn2)SC(=S)N1NS(=O)(=O)c1ccccc1,0,0,0,0
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1N1CCCCC1,1,0,0,0
CC(C)Cn1cnc2c1c(=O)[nH]c(=O)n2Cc1ccccc1,0,0,0,0
COc1ccc(-n2c(SC)nc3ccccc3c2=O)cc1,0,0,0,0
COc1cccc(N2CCN(C(=O)c3ccc(C[S+]([O-])c4ccc(C)cc4)o3)CC2)c1,1,0,0,0
CCCc1cc2c(c(C(F)(F)F)c1)C(=O)N1CCNC[C@@H]21,0,0,0,0
COCCn1nnnc1C(c1cccs1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,1,0,0,0
CCCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2C)C1=O,0,0,0,0
O=C(O)Cc1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,0,0,0,0
CCN(C)C1CCCc2ccncc21,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)NCC(F)(F)F)CC1,0,0,0,0
O=C1c2ccc(Oc3ccc(F)cc3F)cc2CCc2ccc(OCCN3CCOCC3)cc21,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(F)c(Cl)c3)cncc21,0,0,0,0
Nc1nccc2cc(C[C@H](C(=O)O)N3CC[C@H](NS(=O)(=O)c4cnc(N5CCC5)s4)C3=O)c(C(F)(F)F)cc12,0,0,0,0
Clc1cccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c1,0,0,0,0
COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1,0,0,0,0
C=C(C)CC1(C(=O)OCC)C(=O)Oc2ccc3ccccc3c2N1C,0,0,0,0
Cc1cc(Oc2ccc(=O)n(C)n2)nc(Oc2ccc(=O)[nH]n2)n1,0,0,0,0
CCOc1cc(OCC)cc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)c1,0,0,0,0
O=S(=O)(c1cccs1)n1cc(C2CCCNC2)c2ccccc21,0,0,0,0
COc1ccc2c(c1)S(=O)(=O)C(S(N)(=O)=O)C2,0,0,0,0
CCOC(=O)C1(Cc2ccccc2)CCCN(Cc2ccccn2)C1,0,0,0,0
CCOc1ccc(OCC)c(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1,1,0,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CC(C)C,0,0,0,0
COC(=O)[C@H](Cc1ccccc1)N(C(=O)c1ccccc1)C1CCN(Cc2cncn2Cc2ccc(C#N)cc2)CC1,0,0,0,0
NCCOc1ccc(C2CCCCC2)cc1,1,0,0,0
COc1ccccc1-c1ccc2c(c1)sc1c(N)ncnc12,0,0,0,0
CCCN(CCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4CC)cc3o2)cc1)C(C)C,0,0,0,0
CC(=O)Cc1ccc(-c2n[nH]c3c2Cc2cc(CNC4CCC(C)CC4)ccc2-3)cc1,0,0,0,0
COc1ccccc1-c1cc(C(=O)NN=Cc2sccc2C)c2ccccc2n1,1,0,0,0
CCOc1ccc2nc(SCC(=O)c3ccccc3)sc2c1,0,1,0,0
CC(C)n1nc(-c2cc(Cc3ccccc3)on2)c2c(N)ncnc21,0,0,0,0
COc1ccccc1C1C(C(=O)C2(CO)CCCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1,0,0,0,0
Cn1c(=O)c2c(nc(SCCN3CCCCC3)n2C)n(C)c1=O,0,0,0,0
CCN(c1ccccc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1,0,0,0,0
O=C(O)c1cccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)c1,0,1,0,0
CCOc1c([N+](=O)[O-])cc2c(C)c(C(=O)N3CCN(C)CC3)oc2c1OCC,1,0,0,0
COC(=O)c1ccc(/C=C2/C(=O)Oc3ccccc32)cc1,0,1,0,0
Cc1cc(NCC2CCCO2)n2c(nc3ccccc32)c1C#N,0,0,0,0
COc1ccc(C(=O)C2CCCN(C(=O)c3ccc(F)cc3)C2)cc1OC,0,0,0,0
O=C(Nc1ccc2c(c1)OCO2)c1cccn(Cc2cccc(F)c2)c1=O,0,1,0,0
O=C(Nc1ccc(F)cc1)Nc1cccnc1Cl,0,1,0,0
CC(C)c1ccc(N(CC(=O)NCCCN2CCOCC2)S(=O)(=O)c2ccccc2)cc1,1,0,0,0
O=C(c1csnn1)N1CCC2(CC1)CCN(c1ncccn1)CC2,0,0,0,0
CCOC(=O)c1sc2c(c1C)C(c1cccs1)C1=C(CCCC1=O)N2,0,0,0,0
COC1CCC2(CC1)Cc1ccc(C3=CCN(C)C(=O)C3)cc1C21N=C(N)N(C)C1=O,0,0,0,0
CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2c(F)cccc2F)C(=O)O)cc1,0,0,0,0
N#C[C@@H]1CCNC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(OCCN(CC)C(C)C)c3)oc2c1,0,0,0,0
Cc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)c(C)c1,1,1,0,0
COc1ccc(-c2noc(-c3nnn(-c4ccc(C(C)C)cc4)c3C)n2)cc1OC,0,0,0,0
Cn1c(=O)c(NCCO)c2c3c(cccc31)C(=O)c1ccccc1-2,0,0,0,1
COc1cc(/C=N/Nc2nncn2/N=C/c2ccc(O)c(OC)c2)ccc1O,0,1,0,0
COC(=O)c1cc(=O)nc(SCc2cccc(C)c2)[nH]1,0,0,0,0
CCSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1,0,0,0,0
CCOC(=O)c1c[nH]c(N2CCN(C)CC2)nc1=O,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Nc2ccc(C(=O)O)cc2)cc1,0,1,0,0
Cc1cc(C=C(C#N)c2cccc(F)c2)c(C)n1-c1cccnc1,1,0,0,0
CCOC(=O)c1ccc(Nc2nc(N)c3cc(OC)c(OC)cc3n2)cc1,0,1,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccccc3)c2=O)cc1,0,0,0,0
O=C(CC1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1)NO,0,0,0,0
Cn1c(=O)n(C)c2cc(-c3nc[nH]c3-c3ccccc3)ccc21,0,0,0,0
COc1ccccc1N1CCN(Cc2nc3c4cccc(OC)c4nc(N)n3n2)[C@H](C)C1,0,0,0,0
Cc1nnc(CC2CCC(c3ccc(N4CCOc5ncnc(N)c5C4=O)cc3)CC2)o1,0,0,0,0
O=C(O)C1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1,0,0,0,0
Cc1nc2cccnc2n2c(-c3cc(OC4CCC(O)CC4)ccc3Cl)nnc12,0,0,0,0
CC#CCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C,0,0,0,0
COC(=O)/C=C1/SC(=NC(=O)c2ccc(OC)cc2)NC1=O,0,1,0,0
COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@@H](C[C@@H]3CCNC3=O)C(=O)CCl)cc12,0,0,1,0
OCCC1CN(Cc2cccc(F)c2F)CCN1CCc1ccccc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C4CC4)ncc3F)C2)cc1,0,0,0,0
O=C1c2ccccc2C(=O)c2c1ccc1c(=O)n(-c3ccccc3)[nH]c21,0,0,0,0
CC(C)(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1,0,0,0,0
CC(C)c1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1,0,0,0,0
COC(=O)COc1ccc2c(c1C)O/C(=C\c1ccco1)C2=O,0,1,0,0
COc1ccccc1-c1nc(NCCNC(C)=O)c2ccccc2n1,0,0,0,0
O=c1cc(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
Cc1cc(Nc2nc(NCc3ccccn3)ncc2Br)n[nH]1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)C)c(C)c3)c2=O)cc1,0,0,0,0
CN(C)Cc1cc(C(=O)N2CCC(N3CC(CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)nc(C(F)(F)F)c1,0,0,0,0
COCCCNc1nc2nonc2nc1N1CCN(Cc2cccc(C)c2)CC1,1,0,0,0
C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)CCN1c1cc(C(F)F)on1,0,0,0,0
CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c([N+](=O)[O-])nn(C)c(=O)c21,0,0,0,0
Cc1nc2c(C)cccc2c(N2CC(C)(C)c3ccc(N4CCOCC4)cc32)c1C,0,0,0,0
CCCCCC(=O)Nc1c(-c2cccs2)c(=O)c2ccccc2n1C,0,0,0,0
CC(C)CNC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O,0,0,0,0
O=S(=O)(c1ccc(CO)cc1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
CCCCn1c(=O)n(Cc2cccc(F)c2)c(=O)c2c1ncn2Cc1ccco1,0,0,0,0
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cc(F)cc(S(C)(=O)=O)c2)ccc1Cl,0,0,0,0
COc1ccc(CNC(=O)c2cc(-c3ccc(C)c(C)c3)n[nH]2)cc1,0,1,0,0
O=c1nc(SCc2ccc(F)cc2Cl)[nH]c2ccccc12,0,0,0,0
COC(=O)c1nc(N)sc1C,0,0,0,0
Cn1c(=O)c([N+](=O)[O-])c(NCC2CCCO2)c2ccccc21,0,0,0,0
O=C(c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3OC(F)(F)F)c2)s1)c1c(F)ccc(O)c1F,0,0,0,0
CC(=O)N1CCC(Nc2ccc3[nH]nc(-c4cc5ccc(C)cc5[nH]4)c3c2)CC1,0,0,0,0
Cn1cc(-c2cc(OCCNC(=O)CCC(=O)C(F)(F)F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Brc1cccc(-c2nnc3sc(CNC4CCCC4)cn23)c1,0,0,0,0
CCc1c(C)noc1NC(=O)N1CCC2(CC1)CC(c1cccc(OC(F)(F)F)c1)C2,0,0,1,0
NS(=O)(=O)c1cccc(NC(=O)COC(=O)Cc2ccc(S(=O)(=O)N3CCCCC3)s2)c1,1,0,0,0
COc1cccc(N2CCN(S(=O)(=O)c3ccc(-c4cnc(C5CC5)o4)cc3)CC2)c1,0,0,0,0
COCc1cc(C)nc2sc(C(=O)N3CCN(c4ccccc4)CC3)c(N)c12,1,0,0,0
CCc1nc2nc(C)cc(Nc3cc(Cl)ccc3C)n2n1,0,0,0,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(OC)cc1,0,0,0,0
CC(C)[C@H](CO)NCc1nc(C2CCC(F)(F)CC2)ccc1F,0,0,0,0
CCCN(CCc1ccccc1)Cc1c(C(F)(F)F)nc2n(-c3c(C)cc(C)cc3C)c(Cl)cn12,0,0,0,0
Nc1nc(N2CC[C@@H](N)C2)c2c(n1)C1(CCCC1)CCC2,0,0,0,0
O=C(O)c1cc(NCc2ccc(F)cc2)ccc1N1CCOCC1,0,0,0,0
O=C1C=CC(=O)N1O,0,0,1,0
Cc1noc(C)c1-c1cc(C)c2nc(Nc3ccc(OCCN4CCN(C)CC4)cc3)nnc2c1,0,0,0,0
CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCCN=C(N)N)C(=O)c1nccs1,0,0,0,0
Cc1cc(O)cc2c1C(=O)C(=Cc1ccco1)O2,0,0,0,0
CCN1c2ccccc2-n2cccc2C12CCN(C(=O)Nc1ccccc1Br)CC2,1,0,0,0
Cc1ccc(Cl)cc1-c1cn(-c2ncnc3[nH]ccc23)cc1C(N)=O,0,0,0,0
CCOc1ccc(Oc2c(/C=N/NC(N)=O)c(C)nn2-c2ccccc2)cc1,0,0,0,0
C=CCn1c(/N=C/c2ccc3c(c2)OCO3)nc2ccccc21,0,1,0,0
CC(C)c1cccc2c1C(=O)N(COc1c(Cl)cccc1Cl)S2(=O)=O,0,0,0,0
COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4nc(C(N)=O)[nH]c4c3)CC1)O2,0,0,0,0
COc1ccc(C(=S)N2CCCC2)cc1,0,0,0,0
CCSCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(OC)ccc1OC,1,0,0,0
CCN(C)CC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1,0,0,0,0
O=C1CCC(c2ccc(F)cc2F)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1,0,0,0,0
Cc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1,0,1,0,0
CCn1cnc2c1c(=O)n(CC(=O)N1CCc3ccccc31)c(=O)n2Cc1ccccc1,1,0,0,0
CCCCOCC(CN1C(=O)N(CC(COCCCC)OC(N)=O)C(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O,0,0,0,0
COc1cccc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)c1,1,1,0,0
COc1cc(-c2cnc(OCC(C)(C)C(=O)O)cc2C)ccc1-c1ncc(C(F)(F)F)[nH]1,0,0,0,0
CN(CC1CCCCC1)c1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12,0,0,0,0
CC(C)N1CCc2c(sc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)c2C(N)=O)C1,1,0,0,0
CC1=CSC2=NS(=O)(=O)CCN12,0,0,0,0
COc1ccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)nn(C)c3C)C2)cc1,1,0,0,0
Cn1cc([C@@]2(c3noc(=O)[nH]3)N[C@@H](c3ncc(-c4ccc(F)cn4)[nH]3)Cc3c2[nH]c2ccccc32)cn1,0,0,0,0
CC[C@@H]1C(c2ccc3nc(-c4ccc(OC(C)C)cc4)oc3c2)=NNC(=O)[C@H]1C,0,0,0,0
COc1cccc(CNc2nc3[nH]c(C)cc(=O)n3n2)c1,0,0,0,0
CCOC(=O)c1cnc2ccccc2c1Nc1ccc2c(c1)OCCO2,1,0,0,0
Cc1ccnc(NC(=S)NC(=O)c2cccs2)c1,0,1,0,0
C=CC(=O)NCCCC[C@H](NS(C)(=O)=O)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
Cc1ccc(C(=O)COC(=O)c2cccc([N+](=O)[O-])c2)s1,0,1,0,0
CN(Cc1ccccc1)c1ccc2cc(C(=O)O)c(=O)oc2c1,0,0,0,0
CN1CCN(C(=O)c2ccc(CN3CCCCC3)cc2)CC1,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)N)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](C)C(N)=O)[C@@H](C)O,0,0,0,0
Cc1cc2c(cc1-c1cc(CCC(=O)O)ccc1OCC(F)(F)F)N(C(C)C)C(=O)CC2(C)C,0,0,0,0
COC(=O)c1ccc(N2CCOCC2)c(F)c1,0,0,0,0
NC(=O)c1ccc(OCC2NC(=O)C3CCCN3C2=O)cc1,0,0,1,0
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2cccc(F)c2c1=O,0,0,0,0
CCCCCCCCCCCCCCCCN1C(=O)C=CC1=O,0,0,1,0
COc1ccc([C@@H](CCCNS(=O)(=O)c2c(C)n[nH]c2C)N2C(=O)c3cccc(N4CCN([C@H](C)c5ccccc5)CC4)c3C2=O)cc1OC,0,0,0,0
CSc1nn2cc(-c3cc4c(OCc5ccc(F)cc5)cccc4o3)nc2s1,0,0,0,0
Cc1n[nH]c(Nc2ccc(O)cc2)c1[N+](=O)[O-],0,0,0,0
O=C(O)CCC(=O)NNc1ncnc2ccccc12,0,0,0,0
COc1cccc2c1OCC1COc3c(c(=O)n(C)c(=O)n3C)C21,0,0,0,0
CN1C(=O)C2(N=C1N)c1ccccc1CC21CCc2ccccc2CC1,0,0,0,0
COc1cc2nccc(Oc3ccc(-c4cnc(Nc5cccc(F)c5)n(C)c4=O)cc3F)c2cc1OC,0,0,0,0
CC(=O)[C@@H]1CN(Cc2ccc(-c3ccccc3S(N)(=O)=O)cc2)C[C@H]1c1cccc(C(=N)N)c1,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1,1,0,0,0
Cl.O=C(Nc1cccc(Cl)c1)N1CCN(Cc2ccccc2)CC1,0,1,0,0
CCOc1ccc(/C=N/NC(=S)Nc2c(C)cccc2C)cc1,0,0,0,0
Cc1cccc(C(=O)O)c1Oc1nc(Oc2cccc(-c3cccc(CN)c3)c2)c(F)cc1F,0,0,0,0
N[C@@H]1C=CCC[C@@H]1C(=O)O,0,0,1,0
Nc1ncc2cc(Cc3nnc4ccc(-c5ccccc5)nn34)ccc2n1,0,0,0,0
COc1ccc(-c2noc(=O)n2Cc2ccc(C#N)cc2)cc1,0,0,0,0
CCOc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3)C2)nc(OC)c1F,0,0,0,0
Cc1c(-c2cn(CC(F)(F)F)c(=O)c3c2CCCC3)c2cc(F)ccc2n1CC(=O)O,0,0,0,0
CCSC1=C(c2ccc(O)cc2)C(=O)c2cc(O)ccc21,0,0,0,0
Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O,0,0,0,0
CCN(CC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2CN)CC1,0,0,0,0
NS(=O)(=O)c1cc2c(cc1Cl)N=CNS2(=O)=O,0,0,0,0
Cc1cc(S(=O)(=O)c2cccc(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CCOC(=O)c1c(C#N)c(SCC(=O)Nc2ccc(OC)cc2)nc2c1CN(CC)CC2,1,0,0,0
COc1ccc2c(c1)CC/C(=C/c1ccccn1)C2=O,0,1,0,0
CC(C)(C)CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1,1,0,0,0
CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1,1,0,0,0
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)C[C@H](CCCCCCN)[C@@]43C)[C@@H]1CC[C@@H]2O,0,0,0,0
O=C1OC[C@@H](c2cccnc2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(F)c3)c2n1,0,0,0,0
COc1cc(Cl)c(-c2nc(SCC(=O)N(C)C)nc3[nH]cc(C#N)c23)cc1OC,0,0,0,0
CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(COCC(=O)OC)c1ccccc1,0,0,0,0
O=C(N/N=C/c1ccc(OC2CSC2)cc1)c1ccccc1,0,1,0,0
CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cc(F)cc(F)c1OC[C@H]2CCN,0,0,0,0
Cc1cc2c(N)nc(N)nc2cc1-c1ccccc1C(C)C,0,0,0,0
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)NC(C)(C)C)cc1Cl,0,0,0,0
COc1ccc(C(=O)Nc2onc3c2CCCC3)cc1,0,1,0,0
CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCCP(=O)(F)OC)nn3)cc2c1,0,0,1,0
O=C(OC(CCCc1ccccc1)Cc1ccccc1)C1CCCCN1S(=O)(=O)Cc1ccccc1,0,0,0,0
CC(=O)Nc1ccc2nc(SCCOc3ccc(C)cc3)sc2c1,0,0,0,0
CC(C)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](N)Cc2ccc3ccccc3c2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC1=O,0,0,0,1
COc1ccc(-c2cc(OC3CC(C)(C)OC(C)(C)C3)nn2-c2ccccc2OC)cc1,0,0,0,1
Cc1cc(C(=O)NC2CC(C)(C)Cc3c2cnn3-c2cccc(F)c2)n(C)n1,1,0,0,0
CSc1nn2cc(-c3nc4cc(Cl)ccc4o3)nc2s1,0,0,0,0
CN1CCC(N(C)c2nc(-c3ccc([N+](=O)[O-])cc3)nc3ccccc23)CC1,1,0,0,0
CCOC(=O)COC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12,0,0,0,0
O=c1[nH]c2ccccc2n1C1CCN(C2(CO)CCCCCCC2)CC1,0,0,0,0
O=C(c1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1,1,0,0,0
Cc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)cc2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1cccc(C)c1NC(=O)COc1cccc(/C=N/NC(=O)C(=O)NCc2ccccc2)c1,1,0,0,0
COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O,0,0,0,0
COC(=O)c1ccc(COc2ccccc2/C=N/NS(=O)(=O)c2ccccc2)cc1,0,0,0,0
Cc1ncccc1N1CC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)OC1=O,0,0,0,0
CC(C)Nc1nc(-c2ccc(CN3CCOCC3)cc2)cc2ncn(C)c(=O)c12,0,0,0,0
Cc1ccccc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)N(C)C)cc4)cc23)c1F,0,0,0,0
COc1cc(COc2ccc3c(C)c(CCC(=O)O)c(=O)oc3c2)cc(OC)c1OC,1,0,0,0
CC(=O)c1c(-c2ccc(Cl)cc2Cl)noc1C,0,0,0,0
CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(OC(=O)c2ccco2)c1,0,0,0,0
O=C(c1ccc2nc(Cc3cccc(Cl)c3)oc2c1)N1CCC(O)CC1,0,0,0,0
COc1cccc(C(=O)N2CCN(c3ccc(N4CCOCC4)nn3)CC2)c1,0,0,0,0
C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(CC1CC1)CC2,0,0,0,0
COC(=O)[C@@H]1C(c2ccccc2)(c2ccccc2)[C@@]1(C)C(=O)OC,0,0,0,0
COc1ccc(N2CCN(C(c3ccco3)C3Sc4nc(C)nn4C3=O)CC2)cc1,0,0,0,0
CC(=O)NCCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(Cc4cc5c(cc4Cl)OCO5)cc3)[nH]c2c1,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1Cl,0,0,0,0
COc1ccc(C(Nc2cccc([N+](=O)[O-])c2)P(=O)(OC(C)C)OC(C)C)cc1,1,0,0,0
COc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0,0,0,0
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(OC(F)(F)F)cc3)[C@@H](C)C2)CC1,0,0,0,0
COc1cccc(-c2cc3c(C)nc(N)nc3n(C3CCCC3)c2=O)c1,0,0,0,0
C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2)cn1,0,0,0,0
O=C1CCCC2=C1C(c1ccc(Cl)cc1)N1C(=O)CCSC1=N2,1,0,0,0
Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,0,0,0,0
CN(Cc1ccccc1)C(=O)c1nc2ccccn2c1CN1CCc2sccc2C1,1,0,0,0
Cc1cn(-c2ccc(Cl)cc2Cl)c2c1C(=O)N(C1CCCCC1)CC2,0,0,0,0
O=C(c1ccc(Nc2cc(=O)[nH]c3ccc(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)cc23)cc1F)N1CCCC1,0,0,0,0
CC1(C)CC(=O)C=C(c2ccc(-c3ccccc3)cc2)C1,0,0,0,0
Cc1cccc2c1N(CCCOc1ccccc1)C(=O)C2=O,1,0,0,0
CC(C)N(C(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)n1C)C(C)C,0,0,0,0
Fc1ccc(-c2n[nH]c3ccc(-c4n[nH]c(C5CCCN5)n4)cc23)cc1,0,0,0,0
COc1ccc(C2CCN(C(=O)c3ccc(C)c(-c4nc(C)[nH]c4C)c3)CC2)cc1,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccccc2F)CC1,0,0,0,0
Nc1ncc(-c2cc(C3CCOCC3)n(C3CC(F)(F)C3)n2)cc1Cl,0,0,0,0
COc1ccc(Br)cc1CNc1ccc(O)cc1,1,0,0,0
CCC(C(=O)Nc1cc(-c2cn3cccnc3n2)ccc1C)c1ccccc1,1,0,0,0
CCC1CCCCN1C(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1,0,0,0,0
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(OCC)cc3)n2)CC1,0,0,0,0
O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccs1,1,0,0,0
CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1,0,0,0,0
CN(C)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23,0,0,0,0
N#Cc1nc(COc2ccccc2Cl)oc1NCc1ccco1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=NO)cc1OC,0,0,0,0
COC(=O)C1=C(C)N(CCCC(=O)O)C(=O)NC1c1ccc(C(F)(F)F)cc1,0,0,0,0
CC(=O)c1cccc(CN2CCN(CC=C(C)C)C(CCO)C2)c1,0,0,0,0
N=C(N)c1ccc(CNC(=O)[C@@H]2Cc3ccc(cc3)NC(=O)CCN3CCCN(CCC(=O)Nc4ccc(cc4)C[C@@H](NS(=O)(=O)Cc4ccccc4)C(=O)N2)CC3)cc1,0,0,0,0
CCCCN1C(=O)C(C)(CCCC)C(=O)N1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1,0,0,0,0
N#CC1(c2ccc(F)cc2)c2c(ccc(F)c2F)NC(=O)N1CC(F)(F)F,0,0,0,0
CC(=O)N1c2ccc3ccccc3c2C2C=CCC2C1c1ccc(Br)cc1,1,0,0,0
COc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(-c3ccccc3)c1-2,0,0,0,1
CS[C@H]1CC[C@@](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1,0,0,0,0
S=c1[nH]nc(C2CCCCC2)n1/N=C/c1ccccn1,0,0,0,0
Cc1n[nH]c(Nc2ccc(Br)cc2)c1[N+](=O)[O-],0,0,0,0
CCN(CC)CCOCNC(=O)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,0,0,0,0
N#Cc1cccc2c1C(=O)N1CCNCC21,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1c(OC)ccc2ccccc12,0,0,0,0
CCC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,1,0,0,0
O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(N2C(=O)CCC2=O)c1,0,1,0,0
CC1=Nc2ccc(Cl)cc2S(=O)(=O)N1,0,0,0,0
O=S(=O)(NC1=NN2C(=NC(c3ccccc3)=CC2c2ccc(F)cc2)N1)c1ccc(Cl)cc1,1,0,0,0
COc1cc2c(C(=O)N3CCCc4ccccc43)cn(C)c(=O)c2cc1OC,0,0,0,0
CC(C)n1cc(C=C(C#N)S(=O)(=O)c2ccccc2)c2ccccc21,0,0,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccc(F)cc3)cc2)CCOCC1,0,0,0,0
Cc1cc(NCC(c2ccccc2)c2ccccc2)n2ncnc2n1,0,0,0,0
CC[C@H]1CN(c2nc(N)c(-c3nnc(C)o3)nc2Cl)CCN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
Oc1ccc2ccccc2c1/C=C\c1ccc2c(Br)cc(Br)c(O)c2n1,1,0,0,0
COc1cc(Br)cc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12,0,0,0,0
c1ccc(Cn2nnnc2C(c2ccc(N3CCOCC3)cc2)N2CCCN(C3CCC3)CC2)cc1,0,0,0,0
CCOc1ccccc1N(C)C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1,1,0,0,0
CC(C)NC(=O)C1CSC2c3ccccc3C(=O)N12,0,0,0,0
O=C1CC(c2ccccc2)C(=O)N1c1cccc(O)c1,0,0,0,0
CCOC(=O)c1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,0,0,0,0
Cc1nc2nc[nH]n2c(=O)c1CCOC(=O)c1ccccc1F,0,1,0,0
Fc1ccccc1CCC1(F)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1,0,0,0,0
CSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3,0,0,0,0
O=C(COc1ccc2ccccc2c1)NNC(=O)c1cccs1,1,0,0,0
Cn1c(=NC(=O)COc2ccccc2)sc2ccccc21,0,1,0,0
O=[N+]([O-])c1ccc(Cl)c(C[n+]2cccc3ccccc32)c1,0,0,0,0
O=C(c1cc2c(ccc3ccccc32)oc1=O)N1CCN(CCO)CC1,0,0,0,0
O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1ccc(Br)cc1,1,0,0,0
CCc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1,0,0,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@@]2(CO)C(=O)CC[C@@]3(O)[C@H]1C5,0,0,0,0
CC(C)(C)OC(=O)n1c(-c2ccc(CCCO)cc2)cc2ccccc21,0,0,0,0
O=C(COC(=O)c1cnccn1)c1ccc2c(c1)CCCC2,0,1,0,0
Cc1ccc2c(C)c(C(=O)N(C)C(C)c3ccon3)oc2c1C,0,1,0,0
Oc1ccccc1-c1cc(-c2ccccc2)no1,1,1,0,0
CCC(=C(c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,1,0,0,0
CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)N2CCCC2)cc1,0,1,0,0
COc1cc2nncc(-c3cnc(N4CCC(O)(c5ccc(Cl)nc5)CC4)c(C)c3)c2cc1OC,0,0,0,0
COc1ccc(OCC(=O)O)c(C2CCCCC2)c1,0,0,0,0
CC(=O)Nc1sc2c(c1C(c1ccc(F)cc1)N1CCOCC1)CCCC2,1,0,0,0
O=c1c2cccnc2n(Cc2ccccc2F)c(=O)n1Cc1ccc(F)cc1,0,0,0,0
O=C1[C@@H](NS(=O)(=O)c2ccc3c(Cl)c[nH]c3c2)CCN1c1ccc2c(c1)CCNC2,0,0,0,0
O=C(O)c1cc(O)c2c(O)c3c(OC4OC(CO)C(O)C(O)C4O)cccc3c(-c3c4cc(C(=O)O)cc(O)c4c(O)c4c(OC5OC(CO)C(O)C(O)C5O)cccc34)c2c1,1,0,0,0
CCCCn1c(-c2csc3ccccc23)n[nH]c1=S,0,0,0,0
COc1cc(OC)c(OC)cc1/C=C/C(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
Cc1nc(C)c(CNc2nc(CCCCc3ccccn3)nc(Cl)c2C)s1,0,0,0,0
O=[N+]([O-])c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1,0,0,0,0
COc1ccc(OC)c(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,0,0,0,0
N#Cc1c2c(c(SCc3c(Cl)cccc3Cl)[nH]c1=O)CCCC2,0,0,0,0
CCOC(=O)C1CCN(C(c2ccc(C)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1,0,0,0,0
Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)n(C)n1,1,0,0,1
COc1ccc(S(=O)(=O)c2ccccc2Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)cc1,0,0,0,0
Cn1c2ccccc2c2cc(C=NNC(=O)c3ccc(O)cc3O)ccc21,0,0,0,1
NC(=O)c1cc(Cl)cn(Cc2ccccc2)c1=O,0,0,0,0
COc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,1,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C)cc3C#N)c12,0,0,0,0
COc1cccc(CN2CCN(Cc3cc(OC)c(OC)cc3[N+](=O)[O-])CC2)c1,0,0,0,0
COc1ccc(-c2nc(CCOc3cccc(C[C@@H]4C(=O)N(c5ccc(C(C)(C)C)cc5)[C@@H]4C(=O)O)c3)c(C)o2)cc1,0,0,0,0
CCOC(=O)N1N=C(c2ccccc2)CC1(O)C(F)(F)F,0,1,0,0
CCOc1cc2[nH]c(=S)n(Cc3ccc(C)o3)c(=O)c2cc1OCC,0,0,0,0
Cc1nn(-c2cccc(C#N)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
COC(=O)C1(c2ccccc2)CCN(CCCCN2C(=O)c3cc(Cl)ccc3S2(=O)=O)CC1,0,0,0,0
CCCn1c(=S)[nH]c2ccccc2c1=O,0,1,0,0
Fc1ccc2[nH]cc(C3CCCN(c4ncnc5cc(N6CCOCC6)ccc45)C3)c2c1,0,0,0,0
COc1cc2c(Nc3ccc(Cc4ccsc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1,0,0,0,0
CC(C)(C)ONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
COc1ccc2c(c1)C1=NN(/C(C)=C\C(C)=O)C(c3ccccc3)C1CC2,1,1,0,0
C[C@@H]1CN(CCCN(c2ccc(F)cc2)c2ccc(F)cc2)C[C@@H](C)N1,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2cc(F)cc(Cl)c2)n1,0,0,0,0
CC(C=Nn1c(-c2n[nH]c3c2CCC3)n[nH]c1=S)=Cc1ccco1,0,0,0,1
CSc1nc2c(c(C(F)(F)F)n1)CC(C)CC2,0,0,0,0
O=C(CO)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1,0,0,0,0
C#CCN1CCCC(CN(CCOC)S(=O)(=O)c2ccc3ccccc3c2)C1,0,0,0,0
N#CC1(c2ccccc2Cl)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
Brc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1,1,0,0,0
Cn1cccc1C(=O)OCc1cc(Cl)cc2c1OCOC2,0,1,0,0
CCN(CC)c1ccc(/C=C2/C(=O)ON=C2C)cc1,0,1,0,0
CCOC(=O)c1cc(S(=O)(=O)NC2CCCCC2)cn1C,0,0,0,0
COc1cc2c(cc1OC)C(CCc1ccccc1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2,0,0,0,0
O=C(Oc1ccccc1)c1cccc2cccc(C(=O)Oc3ccccc3)c12,0,0,0,0
CCCOc1ccc(C(=O)N(Cc2cccs2)c2ccc(C)cc2)cc1,0,0,0,0
CCc1cc(OC)cc2nc(-c3cccnc3N3CCC[C@@H](C(=O)O)C3)oc(=O)c12,0,0,0,0
CC(C)(C)NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12,0,0,0,0
CCOc1ccc(/C(O)=C2\C(=O)C(=O)N(c3ccc(OC)cc3)C2c2ccccc2[N+](=O)[O-])cc1,0,1,0,0
O=C1NC2CCc3nc4ccccc4c(=O)n3C2=Nc2ccccc21,0,0,0,0
CCC(CN(C)C)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1,0,0,0,1
N#Cc1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,0,0,0,0
Cn1ccc(-n2cc(C(=O)OC3CC4COCC(C3)N4)c3ccccc32)cc1=O,0,0,0,0
COc1cc2ncc3c(c(-c4ccc(-c5ccn[nH]5)cc4)nn3C)c2cc1-c1cn[nH]c1,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1CCC(N2CCOCC2)C1,0,0,0,0
O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccnc1,0,1,0,0
CCCCNC(=O)C(CSCc1ccccc1)N1Cc2ccccc2C1=O,0,0,0,0
CN1[C@@H]2CC[C@H]1CC(CC(C(=O)O)(c1ccccc1)c1ccccc1)C2,0,0,0,0
CCC(=O)NC(c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)ccc21,0,0,0,1
CCCCCCCCCCCCc1ccc(C(=O)N2CCC[C@H]2C(=N)N)cc1,0,0,0,0
O=C1NC(C(=O)O)=CC(c2cccc(Cl)c2Cl)N1,0,0,0,0
Cc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])cc1,0,0,0,0
CCCCCCC(=O)N(CCCC/C=C\CCCCCCc1nn[nH]n1)C(C)C,0,0,0,0
CCOc1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12,0,0,0,0
CCOC(=O)C1=C(C)NC(=S)NC1c1ccc(-c2cccc(Cl)c2C)o1,0,0,0,0
NC(N)=NCCC[C@@H]1NC(=O)[C@H](CC(=O)O)NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O,0,0,0,0
CCCN1CCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0,0,0
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCCC(=O)NCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O,0,0,0,0
CN(Cc1nc(-c2cnccn2)no1)Cc1[nH]nc2c1CCCC2,0,0,0,0
COc1ccccc1COc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1C,0,1,0,0
O=c1c(-c2ccc(Cl)cc2)nc2cnc(N3CCNCC3)nc2n1CCc1ccccc1,1,0,0,0
Cc1nonc1C1CCCN1Cc1cn[nH]c1-c1ccc2c(c1)OCO2,0,0,0,0
c1cncc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)c1,0,0,0,0
O=c1[nH]c(=O)c2c(CCCC(F)F)cc(=O)oc2[nH]1,0,0,0,0
CCc1ccc(N(CC(=O)NCc2cccnc2)S(=O)(=O)c2ccccc2)cc1,0,1,0,0
CCOC(=O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1,0,0,0,0
CC(C)CCNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,1,0,0,0
O=C(Nc1ccccc1)/C(=C/c1ccccc1)c1ccccc1,1,0,0,0
CC(C)C(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12,0,0,0,0
O=[N+]([O-])c1c(Nc2ccccn2)cc(Cl)c2nonc12,0,0,0,0
O=c1nc(SCCN2CCOCC2)[nH]c(O)c1-c1ccccc1,0,0,0,0
CN1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1,0,0,0,0
CC(=NNC(=S)Nc1c(C)cccc1C)c1ccc(OC(F)F)cc1,0,0,0,0
O=C(O)C(Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,0,1,0,0
c1cc(-c2ccc(CNC3CCCCC3)cc2)ccc1CNC1CCCCC1,0,0,0,0
CCC(Sc1nnc2c3ccccc3n(CC)c2n1)C(=O)Nc1sc2c(c1C#N)CCCC2,1,0,0,0
CCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0,0,0,0
COCCOc1cccc2c(NCc3ccccc3)nc(-n3c(N)nc4ccccc43)nc12,0,0,0,0
CCc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cc1,1,0,0,0
CC(C)CN(Cc1ccc(N2CC(C3CCOCC3)C2)cc1)S(=O)(=O)Cc1ccccc1,0,0,0,0
CN(C)S(=O)(=O)c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1,0,0,0,0
COc1cc(C2CCN(CC(N)=O)CC2)ccc1Nc1ncc2c(C)cc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
Cc1nc(-c2c(F)cc(Cl)cc2-c2ccc(CNC(=O)N(C)O)c(F)c2)no1,0,0,0,0
c1cncc(CCN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1,0,0,0,0
Cn1c(Nc2ccc(C(F)(F)F)cc2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0,0,0,1
c1ccc(-c2nc3nonc3c3nc4ccccc4n23)cc1,1,0,0,0
COc1ccc(Cl)cc1-c1ccc2cccc(-c3cc4c([nH]3)CCNC4=O)c2n1,0,0,0,0
CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccn[nH]2)CC1,0,0,0,0
COc1cc(CNC2CCCCC2OC)cc(OC)c1,0,0,0,0
CCOC(=O)C(C)n1cnc2sc3c(c2c1=O)CCC3,0,0,0,0
O=C(O)C1(Cc2nc3cc(OCc4ccc5ccccc5n4)ccc3n2Cc2ccc(-c3ccoc3)cc2)CCCC1,0,0,0,0
CCN(CC)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCC2c1ccccc1N,0,0,0,0
CN1CCN(CCNc2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2S(C)(=O)=O)CC1,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C)cc3)cc2)nn1,1,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](N)Cc2ccccc2)CSC[C@@H](C(=O)O)NC1=O,0,0,0,0
O=S(=O)(NCCn1ccc2ccccc21)c1ccccc1,1,0,0,0
COCCCNC(=S)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
Cc1cccc(C)c1NC(=S)NN=Cc1ccccc1C(=O)O,0,0,0,0
COc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1,0,0,0,0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCCC4)c(O)cc3c21,0,0,0,0
C=CC(=O)N1CC[C@H](N2C(=O)N(C)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)C1,0,0,1,0
CCN1CCN(CCCNC(=O)c2ccc(C=C3Sc4ccccc4N(Cc4ccccc4F)C3=O)cc2)CC1,1,0,0,0
CC1CCN(C(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)CC1,1,0,0,0
COc1ccc(C(=O)Nc2nc(C)c(C)s2)cc1OC,0,1,0,0
CCN1CCN(C2=C(NS(=O)(=O)c3ccc(NC(C)=O)cc3)C(=O)c3ccccc3C2=O)CC1,0,0,0,0
NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(I)c1,0,0,0,0
Cc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1,0,0,0,0
OCCC1CN(Cc2cccc3nccnc23)CCN1C1CCCC1,0,0,0,0
Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccc(Cl)c(Cl)c1,0,0,0,0
Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCCCCC2)CC1,0,0,0,0
COc1ccc(-c2cc(C3CC3)nc(SCC(=O)c3cccs3)c2C#N)cc1,1,0,0,0
CN1C[C@@H](c2cccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1=O,0,0,0,0
CCCCc1nc2nc[nH]c2c2nc(-c3ccco3)nn12,0,0,0,0
Cn1ccc2c(C#N)nc(-c3ccc(OCCN4CCCC4=O)c(C(F)(F)F)c3)cc21,0,0,0,0
CC(C)Cn1cnc2c1c(=O)n(CC(=O)N(C)C)c(=O)n2Cc1ccccc1,0,0,0,0
Cc1cccnc1-c1ccccc1NCC1=NCCN1,0,0,0,0
Cc1ccc(OCC(=O)OC2CN3CCC2CC3)cc1,1,0,0,0
CN1OCC(S(=O)(=O)c2ccccc2)C1c1ccccc1,0,0,0,0
CC(=O)N1CCCN(c2cncc(-c3cccc(/C=C/C(=O)O)c3)n2)CC1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(Cl)cc1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1OC,0,0,0,0
N#Cc1ccc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)cc1,0,0,0,0
CCOC(=O)N1CCN(c2c(F)cc3[nH]c(=S)[nH]c3c2Br)CC1,1,0,0,0
CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(CCC#N)c2n1,0,0,0,0
C[C@H](Nc1ncc(F)c(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1cc(F)c(-c2cnn(C)c2)cc1F,0,0,0,0
CCOc1c(Nc2ccccc2O)c(=O)c1=O,0,0,0,0
CCC(=O)NCCn1c(-c2ccccc2)cc2ccc(OC)cc21,0,0,0,0
OC(c1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1)(C(F)(F)F)C(F)(F)F,0,0,0,0
CC1(C)CC(=O)C(C=NCCc2ccccc2)=C(O)C1,0,0,0,0
Fc1ccc(OCCCCCN2CCCC2)cc1,0,0,0,0
OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]nc2-c2ccc(F)cc2)CC1,0,0,0,0
O=C(O)c1ccc2c(c1)nc(N1CCc3ccccc31)c1ccsc12,0,0,0,0
Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)nc(N3CCC3)n2)cc1OC(F)F,0,0,0,0
Cn1cc(-c2ccc(Cc3[nH]nc4ccc(C(N)=O)cc34)cc2)cn1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(NCC4(O)CCC4)c3Cl)C2)cc1,0,0,0,0
Cc1ccc(CNC(=O)/C=C/c2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1,1,0,0,0
Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cccc(Cl)c3)C2)nc(C)c1F,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H](C)c3ccccc3)C2=O)cc(OC)c1,0,0,0,0
Cc1ccc(S(=O)(=O)c2c(Nc3ccc(C)c(C)c3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,1,0,0,0
CC(C(=O)NCCCCCC(=O)O)n1nnc2ccccc2c1=O,0,0,0,0
C[C@H](Nc1nccc(N2C(=O)OC[C@]2(C)C2CC2)n1)c1ccc(CN2CCC(N)CC2)c(F)c1,0,0,0,0
O=[N+]([O-])/C=C\c1ccc(N2CCCC2)c(F)c1,0,0,0,0
O=S(=O)(C=Cc1ccccc1)NCc1ccccc1Cl,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCC(=O)OC)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
Cn1c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc2ccccc21,0,0,0,0
Cc1cc(Nc2cccc(C)c2C)n2ncnc2n1,0,0,0,0
C/C(N)=C(/C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(Cl)c1,0,0,0,0
C=CC(=O)Nc1ccc2ncnc(Nc3ccc4ccccc4c3)c2c1,0,0,1,0
CCSSc1nccs1,0,0,1,0
Cn1ccc(-c2ccc(C3(N4CCC(CC(C)(C)O)(c5ccccc5)OC4=O)CC3)cc2)cc1=O,0,0,0,0
Fc1ccc(Nc2ccc3c(-c4cn[nH]c4)nncc3n2)c(F)c1,0,0,0,0
CCc1cc2c(cc1N1CCC(N(C)C)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
CC1CN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC(C)O1,0,0,0,0
CCc1ncc(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12,0,0,0,0
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccc([N+](=O)[O-])cc2)cc1,0,0,0,0
CS(=O)(=O)N1CCC(CN(c2nc3cc(Cl)c(Cl)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1,0,0,0,0
COc1cc2c(cc1OC)-c1c3c(cc4c1[C@@H](C2)N(C)CC4)OCO3,0,0,0,0
FC(F)(F)C(=S)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12,0,0,0,0
Cc1nc(N)c2c(-c3ccc4oc(N)nc4c3)nn(C(C)C)c2n1,0,0,0,0
CCN(CC)CCC(=O)Nc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,0,0,0,0
O=c1cc(CSc2ccccc2)nc(-c2ccncc2)[nH]1,0,0,0,0
CC(C)(C)Sc1ccc([N+](=O)[O-])c2nonc12,0,0,0,0
CC1(C)Nc2c(cc(-c3cccn4nccc34)c3c2CCC3)C(C)(C)C1=O,0,0,0,0
NC1CCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(Cl)c(O)c(Cl)c5)cc34)cn2)CC1,0,0,0,0
C/C(=N\NC(=S)Nc1c(C)cccc1C)c1ccc(OC(F)F)cc1,0,0,0,0
COc1ccc(N2CCN(C3CCCN(S(=O)(=O)c4ccc(C)cc4C)C3)CC2)cc1,0,0,0,0
COc1ccc(C=CC(=O)Oc2cccc(/C=N/NC(=O)COc3c(C)cccc3C)c2)cc1,1,0,0,0
Cc1cc(-c2cccc(F)c2)cc(CNc2c(C)ccc(OCC(=O)O)c2C)c1F,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Br)cc12,0,0,1,0
CC(C)(C)OC(=O)[C@@H](C1CC1)N1C(=O)[C@H](CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
COc1ccc(Sc2nnc(-c3ccccc3)cc2C#N)cc1,0,0,0,0
NC(=O)c1c(N)sc2c1CCCC2,1,0,0,0
CSC1=NCCN1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1,0,1,0,0
COc1ccc2c(c1)CC/C(=C\c1ccc(C)o1)C2=O,0,1,0,0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(C)c(C)c4)n3)c2)CCOCC1,0,0,0,0
CC1Cc2ccccc2N1C(=O)CN1C(=O)CN(C)C(=O)c2ccccc21,0,0,0,0
CC#CC(=O)N1CCC[C@@H]1c1nc(-c2ccc(C(=O)Nc3ccccn3)cc2)c2c(N)nccn12,0,0,1,0
Cc1ncc(C#Cc2c(C)ncnc2N2CCCCC2)cc1NS(=O)(=O)c1ccc(F)cc1F,0,0,0,0
CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1)S(=O)(=O)CCCCl,0,0,0,0
Cc1cccc(N(C)c2ccnc(Nc3cc(N4CCOCC4)cc(N4CCOCC4)c3)n2)c1,0,0,0,0
CCCCC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1,1,0,0,0
COc1cc(OCc2cccc(-c3cncnc3)c2)c2cc(-c3cn4nc(C(C)(F)F)sc4n3)oc2c1,0,0,0,0
Fc1ccc(-c2csc(NN=C3CCCCCC3)n2)c(F)c1,0,0,0,0
Cc1c(N/C(=N/S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
Cc1ccccc1S(=O)(=O)N=C(Nc1c(C)n(C)n(-c2ccccc2)c1=O)c1ccccc1,0,0,0,0
COc1ccc(-c2cc(C(=O)N3CCN(C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4[nH]ccc4c3)n2)cc1,0,0,0,0
CC1(C)OC2=C(C(=O)c3ccccc3C2=O)C(NCc2ccccc2)C1O,0,0,0,0
O=C(O)CCCN1CC(c2nn[nH]n2)Oc2c(CCc3ccc(OCCCCc4ccccc4)cc3)cccc21,0,0,0,0
Cn1c(=O)c2c(nc(Oc3ccccc3Cl)n2C)n(C)c1=O,0,0,0,0
NC(=O)c1cnc(NC2CCCCC2)c2c1[nH]c1ccc(-c3ccccc3)cc12,0,0,0,0
Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccs2)c1,0,0,0,0
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)cc1,1,0,0,0
O=C(NO)c1ccc(-c2ccccn2)s1,0,0,0,1
CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccccc1F,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(CC2C(=O)N(c3ccc(F)cc3)C2C(=O)O)c1,0,0,0,0
CSc1ccccc1OCc1cc(C(=O)N2CCc3c(Cl)cccc3C2)no1,0,0,0,0
COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3C)c2=O)c(OC)c1,0,0,0,0
CCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)c2ccccc12,0,0,0,0
O=C(O)CC(Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(-c2ccc(Cl)cc2)s1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
C=CCC1(c2ccccc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
O=C(O)CCCn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
O=c1nc(CS(=O)(=O)c2ccccc2)[nH]c2ccccc12,0,0,0,0
CCOCCSc1c(C)cnc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
C[C@]12CCC(=O)C(O)=C1CCC1C2CC[C@]2(C)OC(=O)CCC12,0,0,0,0
Cc1ccc(NC(=O)c2cc(-c3cccs3)on2)cc1,1,1,0,0
CN(C)Cc1ccccc1-c1nc(NC2CCNCC2)c2ccccc2n1,0,0,0,0
CCC1(CCCCN2CCN(c3ccccc3OC)CC2)C(=O)Nc2ccccc21,0,0,0,0
O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2cccnn2)C1,0,0,0,0
O=C1C(=Cc2ccco2)CCc2ccccc21,0,0,0,0
Cc1ccc(N2CCN(c3cc(C)nc4c(-c5ccc(Cl)cc5)c(C)nn34)CC2C)cc1,0,0,0,0
O=S(=O)(c1ccccc1)C1CON(Cc2ccccc2)C1c1ccccc1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(CC(C)O)CC1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C#N)cc21,0,0,0,0
Cc1ccsc1C(=O)N1CCCC(CO)(Cc2ccccc2F)C1,0,0,0,0
N#Cc1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1,0,0,0,0
Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccc(F)cc4)oc3C)CC1)OC(=O)N2,0,0,0,0
CN1C[C@@H]2CN(C(=O)c3nc4cc(F)c(F)cc4[nH]3)C[C@@H]2C1,0,0,0,0
Cc1ccc(-c2csc(NC(=O)CSc3nc4ccccc4o3)n2)cc1,1,0,0,0
CCCCCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
COc1cccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c1OC,0,0,0,0
OCCCNc1nccc(-c2[nH]c(-c3c(Cl)cc(OCCO)cc3Cl)nc2-c2cccc(OCc3ccccn3)c2)n1,0,0,0,0
CC(=O)c1sc2c(c1OC(=O)c1ccc(Cl)cc1Cl)c(=O)n(-c1ccccc1)c(=S)n2-c1ccccc1,0,0,0,0
COc1cc2c(C(=O)NCc3ccc4c(c3)OCO4)cn(CC(C)C)c(=O)c2cc1OC,1,0,0,0
CN(N=CC=Cc1ccccc1)c1cc(=O)n(C)c(=O)[nH]1,0,0,0,0
c1cc2c(c(OCCCN3CCCCC3)c1)NCCC2,0,0,0,0
Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1C(F)(F)F,0,0,0,0
COc1ccc(C(NC(=O)C=Cc2ccco2)c2ccc(OC)c(OC)c2)cc1OC,1,0,0,0
CC(=O)NC(C)CCc1ccc(C2CN(c3ccc(OC4CC4)cc3)C2)cc1,0,0,0,0
CCCc1cc(=O)n2nc(NCc3ccc(CC)cc3)nc2[nH]1,0,0,0,0
CNC(=O)c1cc(C)cc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
CCCCN1C(=O)C(=O)N(CC(=O)N2N=C3C(=Cc4ccco4)CCCC3C2c2ccco2)C1=O,0,0,0,0
CCOc1cc2c(cc1OCC)C(c1ccccc1)N(c1ccccc1)C(=O)C2,1,0,0,0
CS(=O)(=O)Cc1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
COc1ccc(-c2c(C)oc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1OC,0,0,0,0
CC1=C(C(=O)N2CCCC2CN2CCCC2)C(C)C(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4c(Cl)cccc4Cl)cc32)=N1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)Nc1ccccc1NC2c1cccs1,0,0,0,0
NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
Cc1ccccc1S(=O)(=O)NCC(CCCCCC(=O)O)c1cccnc1,0,0,0,0
COC(=O)CCSc1cc(NCCOC(C)=O)c([N+](=O)[O-])c2nonc12,0,0,0,0
Cc1cccc(-n2c(C=Cc3c[nH]c4ccccc34)nc3ccccc3c2=O)c1,0,0,0,0
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)cc1O,0,1,1,0
c1ccc(-c2cnn3c(-c4ccccc4)c(-c4ccccc4)nc3n2)cc1,1,0,0,0
Cc1ccc(S(=O)(=O)c2c(Nc3ccccc3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,1,0,0,0
Oc1ccc(C=NNc2cccc3cccnc23)c(O)c1,1,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)NCCCCCCCCCC(=O)NO)cc3)nc2c(=O)[nH]1,0,0,0,0
CSc1ccc(CN2CCN(CC=C(C)C)C(CCO)C2)cc1,0,0,0,0
CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NC(C)c3ccccc3)c2)[nH]1,0,0,0,0
CCCc1nc(Nc2cc(CCc3cc(OC)cc(OC)c3)[nH]n2)c2ccc(N3CCN(CC)CC3)cc2n1,0,0,0,0
Cc1cccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)c1,0,0,0,0
CC(=O)OCC=C(C)C(CC1C(C)=C(OC(C)=O)C(=O)C2C(C)(C)C(O)CCC12C)OC(C)=O,0,0,0,0
COc1ccc(-c2cc3nc(C)cc(-c4ccc(OC)cc4)n3n2)cc1,0,0,0,0
CCn1cc(C=C(NC(=O)c2ccccc2F)C(=O)NCCN2CCOCC2)c2ccccc21,1,0,0,0
CCOC(=O)N1CCN(C2=C(NS(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)CC1,0,0,0,0
O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cccc2nonc12,0,0,0,0
CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(F)cc4)oc3c2)[C@H]1C,0,0,0,0
C=CCNC1=C2C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@H](OC(N)=O)[C@@H](OC)/C=C\C=C(/C)C(=O)NC(=CC1=O)C2=O,0,0,0,1
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C(F)(F)F)cc2)n1,0,0,0,0
CC[C@H](C)[C@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(N)=O,0,0,0,0
O=C(O)CC1Oc2ccc(Cl)cc2NC1=O,1,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)NCCCCCNC(=O)CS,0,0,0,0
COC(=O)c1sccc1N/N=C/c1ccc(OC)c(OC)c1OC,0,1,0,0
Cc1ccc2nc(Nc3ccc(C)c(F)c3)c3nncn3c2c1,0,0,0,0
Cn1cc(-c2cc(OCC(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
[C-]#[N+][C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(/C(C)=N/OC)cc2)n1,0,0,0,0
O=C1CN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)CCN1,0,0,0,0
Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCN(CC(F)(F)F)CC2)n1,0,0,0,0
CN1C(=O)CC(N2CCN(Cc3ccc(Cl)cc3)CC2)C1=O,0,0,0,0
Cc1ccc2c(c1)C(=O)N1[C@H]3c4cc(Cl)ccc4OC[C@@H]3[C@H](c3ccccc3)[C@]1(C)C(=O)N2,0,0,0,0
CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccccc2)c(O)c1,1,0,0,0
COC(=O)Nc1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1,0,0,0,0
CCc1cc2c(cc1NC(=O)N1C[C@@H]3C(CO)[C@@H]3C1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
CCOc1ccccc1N1C(=O)c2cccnc2C1=O,0,0,0,0
COc1ccccc1C=C1N=C(C(C)(C)C)OC1=O,0,0,0,0
COc1ccc(S(=O)(=O)N=C2C=CC(=O)C(C)=C2C)cc1,0,0,0,0
Clc1ccc(-n2c(-c3ccccc3Cl)nc3c(N4CCCCC4)ncnc32)cc1,0,0,0,0
COc1ccc(OC)c(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
CCOc1cc(CNCc2cccnc2)cc(Br)c1OCC(N)=O,0,0,0,0
c1ccc(Cc2nc3ccccc3n3c(-c4ccccc4)nnc23)cc1,0,0,0,0
NC(N)=NCCC[C@H](N)C(=O)N(Cc1ccc2ccccc2c1)Cc1cccc2ccccc12,0,0,0,0
CC(C)(NS(=O)(=O)c1ccc(Nc2cccnc2Cl)cc1C(F)(F)F)C1CC1,0,0,0,0
Cc1cc(-c2cnn(CCCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Nc1nc2c(ncn2CC[C@@H]2C[C@H]2C(F)(F)P(=O)(O)O)c(=O)[nH]1,0,0,0,0
O=[N+]([O-])c1cccc(-c2cc3ccccc3[nH]2)c1,0,0,0,0
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CC)CC)cc1,0,0,0,0
CCn1c2ccccc2c2nnc(N3CCN(c4ccc(F)cc4)CC3)nc21,0,0,0,0
CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0,0,0,0
CCOC(=O)CSc1nc(=O)n2cccc(C)c2n1,0,0,0,0
CCNCc1cc(OCC)c2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1ccc(CNS(=O)(=O)c2c(C)nc3sc(C)cn3c2=O)cc1,0,0,0,0
Cc1c(C(=O)N(C)c2ccccc2)sc2nc(-c3ccc(F)cc3)cn12,0,1,0,0
Cn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCC3,0,0,0,0
c1ccc(OCc2cnc3c(c2)OCCN3)cc1,0,0,0,0
Cc1cnc(Nc2cc(N3CCOCC3)nc(N[C@@H](C)c3ncc(F)cn3)n2)s1,0,0,0,0
O=C1NC(=Nc2ccccc2Cl)S/C1=C\c1ccc2ncccc2c1,0,0,0,0
CC1(C)NC(=O)N(CC(O)COc2ccc(-c3ccccc3)cc2)C1=O,0,0,0,0
CCCN1C(=O)C(=CNc2ccccc2)SC1=S,0,0,0,0
CCc1cccc(C)c1NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C,0,0,0,0
O=C(O)c1ccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)cc1,0,0,0,0
COc1cccc([C@H]2O[C@H](CC(=O)NCC(=O)O)C(=O)N(CC(C)(C)CO)c3ccc(Cl)cc32)c1OC,0,0,0,0
COc1ccc2c(c1)C1C(CO2)C(c2ccccc2)C2(C)C(=O)Nc3cc(Cl)ccc3C(=O)N12,0,0,0,0
COc1cnc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1C,0,0,0,0
COC(=O)N(C)CCCC1(C)C(=O)N(C)c2ccc(O)cc21,0,0,0,0
CC(C)(C)C(=O)Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1,0,0,0,0
CC(/C=N/NC(=O)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)=C\c1ccccc1,0,1,0,0
C=CCN1CCC23c4c5ccc(O)c4OC2C(=O)CCC3(O)C1C5,0,0,0,0
C=CC(=O)N1CCCC(n2c(NC(=O)c3cccc(C(F)(F)F)c3)nc3cc(C)ccc32)C1,0,0,1,0
Cc1cccc(C)c1Nc1nnc(SC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)s1,1,0,0,0
O=C(c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F)N1CCN(CCO)CC1,0,0,0,0
CN(CCN1CCCCC1)c1ccc(C(=O)c2c(-c3ccc(O)cc3)sc3cc(O)ccc23)cc1,0,0,0,0
NS(=O)(=O)NCC1CCC(CNc2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CCCNCC2)cc1Cl,0,0,0,0
COc1ccccc1OCCCCN1CCN(c2ccccc2OC)CC1,0,0,0,0
CCOc1ccc(C2c3cc(OCC)c(OCC)cc3CC(=O)N2c2ccc(C(=O)O)cc2)cc1OCC,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COC(=O)Cc1c[nH]c2ccc(OCCCN(Cc3cccc(C(F)(F)F)c3Cl)CC(c3ccccc3)c3ccccc3)cc12,0,0,0,0
NC(=O)c1csc([C@@H]2O[C@H](COP(=O)(O)C(F)(F)P(=O)(O)OC[C@@H]3O[C@H](n4cnc5c(N)ncnc54)[C@@H](O)[C@H]3O)[C@@H](O)[C@H]2O)n1,0,0,0,0
COc1ccc(OC(F)(F)F)cc1CN1C(=O)C(C)CC1c1c(OC)cccc1OC,0,0,0,0
CC(C)Oc1ccc(Oc2ccc(S(=O)(=O)C3(C(=O)NO)CCOCC3)cc2)cc1,0,0,0,1
CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(Cl)cc4Cl)c3c2)CC1,0,0,0,0
COc1cc(S(=O)(=O)c2ccc3sccc3c2)cc2c3c(oc12)CCNC3,0,0,0,0
CCCN(CC)C(=O)C1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,0,0,0,0
O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1/C=N/N1CCCCC1,0,0,0,0
c1ccc2c(CCCCN3CCN(C4CCCCC4)CC3)cccc2c1,0,0,0,0
COc1cccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)c1,0,0,0,0
Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1,1,0,0,0
COc1cc(C(=O)N2CC[C@H]2c2nc(-c3ccccc3OC(F)(F)F)n[nH]2)c(-n2nccn2)cc1C,0,0,0,0
COc1cccc(OC)c1-c1ccc(CC(Nc2ccncc2)C(=O)O)cc1,0,0,0,0
COCCCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1,0,0,0,0
CCOC(=O)c1cc(C#N)c(N2CCN(C)CC2)nc1-c1ccccc1,0,0,0,0
CC1CC(C)CN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)C1,0,0,0,0
O=C(O)c1ccc(N/N=C/c2ccc(-c3ccc(Br)cc3)o2)cc1,0,1,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)c(Br)c4)nn3C)c2cc1OC,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)C2CCc3cc(Cl)c(F)cc32)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
Cc1cnc(NC2CCN(C)CC2)nc1-c1cn[nH]c1C(C)C,0,0,0,0
CC1(C)Oc2ccc3ccc(=O)oc3c2CC1=O,0,0,0,0
Cc1cc(C(=O)N2CCCC(CN3CCN(c4cnccn4)CC3)C2)no1,0,0,0,0
Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1.Cl,0,1,0,0
O=C1C2N=C(c3ccccc3Cl)N(c3ccc(Cl)cc3)C2N=CN1CC(F)(F)F,0,0,0,0
CCCCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
COc1cccc(N2C(=O)N(C3CCCCC3)C3(CCN(Cc4ccc(-c5cccc(C#N)c5)cc4)CC3)C2=O)c1,0,0,0,0
O=c1c2ccccc2oc2ccc(NCCCN3CCOCC3)cc12,0,1,0,0
CCOC(=O)C1CCCN(c2cc(=O)n(Cc3ccc(F)cc3)c(=O)[nH]2)C1,0,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)C(C)C)cc1,0,0,0,0
OCCC1CN(Cc2ccccc2OC2CCCC2)CCN1Cc1ccsc1,1,0,0,0
CCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,0,0,0,0
FC(F)(F)c1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1,0,0,0,0
COc1ccc(C2C=CCN(S(=O)(=O)c3ccc(C)cc3)CC(=O)N2Cc2cccc(F)c2)cc1,0,0,0,0
COc1cc(OC)c(OC)cc1CNCCSc1nnnn1C,0,0,0,0
NC(c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)(F)F,0,0,0,0
CCCCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,1,0,0,0
COc1cccc(N/C(SCc2ccccc2C)=C(/C#N)C(=O)NCc2cccs2)c1,1,0,0,0
Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)C,0,0,0,0
Cc1cc(C)nc(SCC2COc3ccccc3O2)n1,0,0,0,0
CC1(C)C2CCC1(CS(=O)(=O)Nc1ccc(S(=O)(=O)N3CCCCC3)cc1)C(=O)C2,0,0,0,0
COc1ccc(C2C(CC(=O)O)=C(O)C(=O)N2c2ccccc2)cc1,0,0,0,0
NC(=O)c1ccc(Oc2ccc(CNCCc3ccccc3)cc2)cn1,0,0,0,0
CCC1CCc2sc(C(=O)O)cc2C1,0,0,0,0
CCCc1nc(C)c2c(N(C(=O)OC)C(=O)OC)nc3ccc(OC)nc3n12,0,0,0,0
CN(C[C@@H](CCN1CCC(NC(=O)OC(C)(C)C)CC1)c1ccccc1)S(=O)(=O)c1ccccc1,0,0,0,0
CCn1cc(C(=O)NCc2ccncc2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,1,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cc(C(=O)O)ccc3o1)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
CN1CCN(CCNc2nc(-c3ccccc3)nc3nc(N4CCN(C)CC4)cnc23)CC1,0,0,0,0
COc1ccc2c3c(c(=O)oc2c1OCC(N)=O)CCCC3,0,0,0,0
CC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccn5)CC4)ccc3c2=O)cc1,0,0,0,0
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
[C-]#[N+][C@@H]1C[C@@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)(F)F)cc2)n1,0,0,0,0
CCCCCS(=O)(=O)N(CCC)CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(F)c1,0,0,0,0
O=C1CC2CS(=O)(=O)CC2N1c1ccc(Cl)cc1Cl,0,0,0,0
CC1N(C)c2cc(NC(=O)c3ccco3)ccc2C1(C)C,0,1,0,0
Cn1cccc1C(=O)N1CCCc2cc(C(=O)NO)ccc2C1,0,0,0,0
COc1ccc2c(c1OC)C(=O)OC2c1c(O)nc(SC)n(-c2ccccc2)c1=O,0,0,0,0
CN1C(=O)C(Nc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)c2ccccc21,0,0,0,0
COC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(F)cc3Br)cccc2c1,0,0,0,0
COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3c2c(=O)n(C)c(=O)n3C)c1,0,0,0,0
[O-][S+](c1ccccc1O)[S+]([O-])c1ccccc1O,0,0,0,0
Clc1ccc2nsnc2c1NC1=NCCN1,0,0,0,0
Cc1cc(C)c(C(=O)COC(=O)c2ccc(NC(=O)CC#N)cc2)cc1C,1,0,0,0
COc1ccc(C=CCN2CCN(Cc3cccc(OC)c3)C(CCO)C2)cc1,1,0,0,0
COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)C(C)CN2,0,0,0,0
O=C(CC1C(=O)NCCN1Cc1ccc(F)cc1Cl)NC1CCCCCCC1,1,0,0,0
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CCN(c1ccncc1)CC2,1,0,0,0
CS(=O)(=O)N1CCN=C1SCc1ccccc1,0,0,0,0
CC(=O)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1,0,0,0,0
CC(C)OC(=O)CC(=O)CSc1nc2c(cc1C#N)CCCCCC2,0,0,0,0
COc1cccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCCCCO)CC(=O)N32)c1,1,0,0,0
COc1cc2c(Nc3ccc(Br)c(Cl)c3F)ncnc2cc1OC[C@@H]1CN2CCOC[C@H]2CO1,0,0,0,1
CCOC(=O)c1sc2ncn(C(CC)C(=O)OC)c(=O)c2c1C,0,0,0,0
S=C(NC1CCCCC1)NC1CCCCC1,0,0,0,0
CN(C)C(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1,0,0,0,0
O=C(O)CC1SC(=NN=Cc2ccccn2)NC1=O,0,0,0,0
Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NC3CCC(C(N)=O)CC3)c2c1=O,0,0,0,0
CCN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cn2)CC1,0,0,0,0
O=C1NC(=O)c2c1c1c(c3sc4ccccc4c23)Cc2ccccc2-1,0,0,0,0
CCc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
COc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
COc1ccc(Nc2c(-c3ccc(Cl)cc3)nc3cnccn23)cc1OC,1,0,0,0
CN1CC2CN(c3ccc(-c4ccccc4)nn3)CC2C1,0,0,0,0
Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O,0,0,0,0
Cc1ccccc1-c1cc(C(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C#N)c2ccccc2n1,1,0,0,0
CC(C)N1CC(C(=O)Nc2ccc(F)c(Cl)c2)CC1=O,0,0,0,0
C#CCOc1c(Cl)cc(C=C2C(=O)ON=C2C)cc1OCC,0,0,0,0
O=C(c1cc(Sc2cccc(Cl)c2)nc2ccccc12)N1CCN(c2ccccn2)CC1,1,0,0,0
COc1cccc(COC(=O)c2nn(-c3ccccc3)nc2N)c1,0,0,0,0
Cc1ccc2[nH]c3c(N4CCOCC4)ncnc3c2c1,0,1,0,0
COc1cc(Cl)c(-c2nc(SCC(=O)NCC(F)(F)F)nc3[nH]cc(C#N)c23)cc1OC,0,0,0,0
COc1ccc(-c2nc(-c3ccccc3)c(NCc3ccccc3)o2)cc1,0,0,0,0
COc1ccc(Oc2c(C)oc3c(CN(C)C)c(O)ccc3c2=O)cc1,0,0,0,0
CC(C)Cc1nccs1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(C)(C)C)c1,0,0,0,0
CCCCCNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O,1,0,0,0
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCO2,0,1,0,0
CCCN1C(=O)C(O)(CC(C)=NO)c2ccccc21,0,0,0,0
c1ccc2sc(N3CN(CCN4CCOCC4)CN(c4nc5ccccc5s4)C3)nc2c1,0,0,0,0
O=C1CSC(c2cnccc2-c2ccc(Br)cc2)N1C1CCCC1,0,0,0,0
CC(Sc1cc(-c2ccc(C(=O)N3CCC(N4CCCC4)CC3)c(F)c2)cnc1N)c1c(Cl)ccc(F)c1Cl,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(Cc2cccnc2)CC1,0,0,0,0
CS(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1cc(Cl)cc(C)c1OCCCCn1ccnc1,1,0,0,0
CCCCCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0
N=C(N)NCC1COC2(CCCCC2)O1,0,0,0,0
CCOC(=O)C(C)Oc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0,0,0,0
Cc1c(N[C@H]2C[C@@H]2C)nc(C2CC2)nc1N1CCCCCC1,0,0,0,0
CCOc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2ccc(F)cc2)cc1,1,0,0,0
Cc1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1C,0,0,0,0
CSc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
CC(=O)Nc1nc(-c2ccc3[nH]cc(-c4cncc(OC(C)C)n4)c3c2)no1,0,0,0,0
CCCCn1nnnc1NCc1cccnc1,0,0,0,0
Cn1cncc1C(OCc1ccc(C#N)cc1-c1cccc(OC(F)(F)F)c1)c1ccc(C#N)nc1,0,0,0,0
Clc1ccc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1ccc(C)cc1,0,0,0,0
O=C(/C=C/c1ccc2c(c1)OCO2)c1ccco1,0,1,0,0
Cc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1C,0,0,0,0
Cc1cnc2ccccc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,0,0,0,0
c1cc(OCCN2CCCCC2)ccc1CN1CCCCC1,0,0,0,0
CSc1nc2ccsc2c(=O)n1-c1ccccn1,0,0,0,0
COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1,0,0,0,0
C=CCn1c(-c2cccc([N+](=O)[O-])c2)n[nH]c1=S,0,0,0,0
CCCc1nc(C)c2c(NC(=O)OC)nc3ccc(OC)nc3n12,0,0,0,0
CC(C)n1nc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c2ccccc2c1=O,1,0,0,0
CCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)CC(=O)NC(C)(C)C,0,0,0,0
O[C@@H]1[C@H](O)[C@@H]2C[C@@H]2[C@H]1n1cnc2c(NC3CC3)nc(Cl)nc21,0,0,0,0
CC(=C\c1ccccc1)/C=C1/SC(=S)N(C(C(=O)O)C(C)C)C1=O,0,1,0,0
C=CCc1cc(OC)ccc1OCCON1C(=O)CCC1=O,0,0,0,0
COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1OC,0,0,0,0
CCc1cc(C(=O)Nc2ccc(C)cc2Br)cs1,0,1,0,0
CNS(=O)(=O)c1ccccc1Nc1nc(Nc2ccc(-n3ccnc3C)cc2OC)ncc1Br,0,0,0,0
O=C(Nc1nc(-c2ccc(F)cc2)cs1)C1CCCO1,0,1,0,0
COc1cc2c(cc1OC)C(C(=O)O)C(c1cccc(Cl)c1)N(C)C2=O,0,0,0,0
NC(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1ccc(COc2ccc3c(C4=C(c5cn(C)c6ccc(Br)cc56)C(=O)NC4=O)coc3c2)cc1,0,0,0,0
CC(C)(F)Cn1cc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
CCOC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCOC)cc1,0,0,0,0
Cc1ccc([C@@H]2C[C@H]2COc2cc(NCc3cc(C)nn3C)c(=O)n(C)n2)nc1,0,0,0,0
CCC(CC)Sc1nc2cc(N3CCNCC3)c(C#N)cc2[nH]1,0,0,0,0
CC[C@@H](C)OC(=O)Nc1c(-c2ccc(-c3ccc(C4(C(=O)O)CC4)cc3)cc2)cnn1C,0,0,0,0
N#Cc1ccc(-c2ccc(-c3nccn3-c3ccc(C4(F)CCNCC4)cc3)o2)cc1,0,0,0,0
COc1ccc(OCCF)cc1-c1nc(CSc2nc(N)nc(N)n2)cs1,0,0,0,0
O=S(=O)(NCc1ccccc1)c1ccc(NC(=S)NCc2ccco2)cc1,0,0,0,0
COc1cc(OC)c(C2C(C(=O)O)c3ccccc3C(=O)N2C)cc1OC,0,0,0,0
CC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1,0,1,0,0
CCC(c1nnnn1CCOC)N1CCN(c2cccc(C(F)(F)F)c2)CC1,1,0,0,0
CN1CCN(C(=O)C2=CC(C3CCCCC3)CC(OCCCCO)O2)CC1,1,0,0,0
Cc1cc(F)ccc1NCc1ccccc1[N+](=O)[O-],0,0,0,0
NCCCCN(Cc1nccc2c3ccccc3n(CCCN3CCNCC3=O)c12)[C@H]1CCCc2cccnc21,0,0,0,0
CC1(C)CC2(C)OCCN2C(=S)N1,0,0,0,0
C/C(=N\OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1)C(=O)O,0,0,0,0
N#Cc1c(/N=C/c2cccs2)sc2c1CCC2,0,1,0,0
Nc1ccc2nonc2c1[N+](=O)[O-],0,0,0,0
CCOc1ccc(-c2nnc3sc(-c4c(OC)cccc4OC)nn23)cc1,0,0,0,0
COC(=O)C1CCN(C(=O)COC(=O)c2cc(-c3ccccc3)nc3ccc(OC)cc23)CC1,1,0,0,1
Cn1c(N/N=C\c2cccc(O)c2)cc(=O)n(C)c1=O,0,0,0,0
Clc1ccc(-c2cn3ncsc3n2)cc1,0,1,0,0
NC(=O)c1ccc2nc(-c3ccc(Cc4ccc5c(c4)OCCO5)cc3)[nH]c2c1,0,0,0,0
COc1cc([C@@H]2[C@@H](C)[C@@H](C)[C@@H]2c2ccc(O)c(OC)c2)ccc1O,0,0,0,0
CC(=CCNc1ncnc2nc[nH]c12)CO,0,0,0,0
Cc1cc(F)cc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)c1,0,0,0,0
COc1ccc(N(C(=O)c2ccccc2)C(C(=O)NC[C@@H](C)O)c2ccccc2F)c(OC)c1,0,0,0,0
Cc1csc(Nc2nc3c(c(Nc4ccccc4S(=O)(=O)NC(C)C)n2)CCN3)n1,0,0,0,0
O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1ccc(F)cc1,0,0,0,0
O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(c2nc(-c3ccccc3)cs2)CC1,1,0,0,0
N/C(=N\OC(=O)COc1cc(Cl)c(Cl)cc1Cl)c1ccncc1,0,1,0,0
N=C(N)S[C@H]1c2ccccc2-c2cc([N+](=O)[O-])ccc21,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)C2CCc3c2ccc(Cl)c3C)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
O=S(=O)(Nc1cc(O)nc(SCc2ccc(Cl)cc2)n1)c1ccccc1,1,0,0,0
CC(=O)N1Cc2c(n(C)c3nc(-n4ccc(OCc5ccccc5)cc4=O)ccc23)CC1C,0,0,0,0
CCN(C(=O)c1cnc(NC(C)C)cc1C(F)(F)F)c1ccc(Cl)cc1,1,0,0,0
CCN(CC)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2)c(=O)n1Cc1ccco1,0,0,0,0
CCn1c(=NCCC2CCN(Cc3ccccc3)CC2)sn(C)c1=O,0,0,0,0
CCN(/N=C/c1ccc(Cl)cc1)c1cc(=O)n(C)c(=O)[nH]1,0,0,0,0
CC(=O)OC1C(C)OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C=O)C5CCC4(C)C2(C)CC3O)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C1OC1OC(CO)C(O)C1O,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CC(O)CC2C(=O)OC)c1,0,0,0,0
Cc1ccc2nc(-c3ccc(N(C)C)cc3)c(NC3CCCCC3)n2c1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)C(C)c1ccccc1,0,0,0,0
Cc1ccc2c(c1)OC(C1=NCCN1)CN2C,0,0,0,0
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccc(C#N)cc1)c1ccccc1)C(=O)[C@@]1(C)CO1,0,0,0,1
COCCCN(CCC#N)C(=O)c1c(-c2c(Cl)cccc2Cl)noc1C,0,0,0,0
COc1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)ccn1,0,0,0,0
CC1(C)c2cc(Cl)ccc2C(=O)N1c1cncc(C2CCCN(S(C)(=O)=O)C2)n1,0,0,0,0
CC(=O)N1CCN(C(=O)C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)CC1,1,0,0,0
CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(N(C)C)cc1,1,0,0,0
Cc1c(Cc2cc(F)ccc2S(=O)(=O)c2ccccc2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
CC(C)n1c(-c2ccccc2F)n[nH]c1=S,0,0,0,0
Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1C.Cl,0,1,0,0
Cc1cccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)c1,0,0,0,0
C[C@H](Nc1ncnc2nc[nH]c12)c1cc2cccc(Cl)c2nc1-c1cscn1,0,0,0,0
O=C(NC1CCCCC1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,1,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2ccc(COC)s2)C1,1,0,0,0
CCOC(=O)c1ccc(S(=O)(=O)NNS(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc(F)cc1F,0,1,0,0
COC1CN(C2CCN(C(=O)c3cc4cc(Nc5nccc(-c6cn(C)cn6)n5)cc(Cl)c4[nH]3)CC2)C1,0,0,0,0
COCCCn1c(-c2ccccc2Cl)n[nH]c1=S,0,0,0,0
CCOc1ccccc1CN1CCN(CC=Cc2ccc(OC)cc2)CC1CCO,1,0,0,0
CCOC(=O)Cn1cnc2sc(C(=O)OC)c(C)c2c1=O,0,0,0,0
c1cn(C23CC4CC(CC(C4)C2)C3)cn1,0,0,0,0
CCCCNC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
CC1CCCN(S(=O)(=O)c2ccc3c(c2)c(=O)nc2ccc(Cl)cn23)C1,0,0,0,0
c1ccc2c(-c3nc(C4CCCCC4)no3)cc(-c3ccncc3)nc2c1,0,0,0,0
COc1cccc2c1nc(N)n1nc(CN3CCN(c4cccc(F)c4)C[C@H]3C)nc21,0,0,0,0
CC(=O)N1CCN(C(=O)c2oc3ccccc3c2C)CC1,0,0,0,0
COC1(c2cc(F)cc(OCc3ccc4c(c3)n(C)c(=O)n4C)c2)CCOCC1,0,0,0,0
Nn1c(SCc2ccc(Br)cc2)nnc1-c1cccnc1,0,0,0,0
OC(COCc1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCCCCn1cnc2sc(CC)cc2c1=O,0,1,0,0
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1,0,0,0,0
O=C(NC(=S)Nn1cnc2c(cnn2-c2ccccc2)c1=O)c1ccc(Oc2ccccc2)cc1,1,0,0,0
N#Cc1c(N)sc2c1CCCCCC2,0,0,0,0
COc1ccc2c(Nc3cccc(Br)c3)ncnc2n1,0,0,0,0
CCCOc1nc2ccc(OC)nc2n2c(CC)nc(C)c12,0,0,0,0
Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H]2CSSC[C@@H]3NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](Cc4c[nH]c5ccccc45)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N2)NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H](Cc2c[nH]c4ccccc24)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC3=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C1=O,0,0,0,0
CCc1ccc(NC(=O)C2CCN(C(=O)N3CCOc4ccccc43)CC2)cc1,1,0,0,0
CCC(C(=O)O)N1C(=O)C(=CC(C)=Cc2ccccc2)SC1=S,0,0,0,0
O=C(O)c1ccc(CCN2CCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)CC2)cc1,0,0,0,0
CCOC(=O)CSc1nnc(NC(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)s1,1,1,0,0
Cc1cc(S(=O)(=O)n2cnc3ccccc32)c(C)cc1Cl,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc(Cl)cc1,0,0,0,0
CCn1c(SC)nnc1C1CCCN(CC(=O)Nc2ccccc2N2CCOCC2)C1,1,0,0,0
Cc1ccc(SCc2cc(=O)nc(N3CCN(Cc4ccc5c(c4)OCO5)CC3)[nH]2)cc1,0,0,0,0
CCc1cc(C(=O)OC)c(NC(=O)CN2CCN(C(=O)C3CCCO3)CC2)s1,1,0,0,0
N#CC1=C(N)Oc2c(c(=O)oc3ccccc23)C1c1ccc([N+](=O)[O-])o1,0,0,0,1
COc1ccccc1CN1CCC2(CCCN(C(=O)c3c(C)noc3C)C2)C1,0,0,0,0
COc1cc(C(=O)OCCc2c(C)nc3nc[nH]n3c2=O)cc(OC)c1OC,0,0,0,0
CC(C)c1nc(C2CCCCC2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0,0,0,0
O=C(O)C1CN(Cc2ccc(-c3nc4cc(Cc5ccccn5)ccc4s3)c(F)c2)C1,0,0,0,0
Cc1ccc(CNc2ccc(O)cc2)cc1,0,0,0,0
Nc1nc(-c2ccc(F)cc2)c2c(n1)-c1c(CN3CCCC3)cccc1C2=O,0,0,0,0
Cc1csc(C(C#N)C(=O)c2cc3ccccc3o2)n1,0,1,0,0
C[C@@H]1CN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CCN1,0,0,0,0
N#CCCn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
N#Cc1ccc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3nc(C(=O)O)cc23)nc1,0,0,0,0
C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2cccc(C(N)=O)c2)n1)c1ccccc1,0,0,0,0
O=C(O)C1(Sc2ccnc3ccc(F)cc23)CCC1,0,0,0,0
COc1cccc(/C=N/NC(=S)Nc2cccc(C(=O)O)c2)c1,0,1,0,0
COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(-c2ccccc2)noc1C,1,0,0,0
c1ccc(CCCCN2C3CCC2c2c([nH]c4ccccc24)C3)cc1,0,0,0,0
Cc1ccc(C(Nc2ccccn2)c2c(C)[nH]c3ccccc23)cc1,0,0,1,0
CC1=C(C(=O)OC(C)C)C(c2cccs2)NC(=S)N1,0,0,0,0
C=CCc1ccccc1OCCSc1nc2ccc([N+](=O)[O-])cc2s1,1,0,0,0
CCOc1ccc(C2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc1,0,0,0,0
CC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccccc3C(=O)O)cn2)cc1,0,1,0,0
CCCCn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
CCCCc1ncc(/C=C2/C(=O)N(CCCC)C(=O)N2Cc2cnc[nH]2)n1Cc1ccc(C(=O)OC)cc1,0,0,0,0
CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(OC)cc4)cnc3c2c1-c1ccc(OC)cc1,0,0,0,0
CNC(=O)NC(=O)CSc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1,0,0,0,0
CCOc1ccc(C2NC(=O)C(C#N)C(=S)N2c2ccc(C)cc2)cc1OC,0,0,0,0
CC1CN(C(=O)c2ccc(COCC(F)(F)F)o2)CC(C)O1,0,0,0,0
O=C(O)CCCCCCCCc1cn(CC2CCCCC2)nn1,0,0,0,0
COc1ncc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,0,0,0,0
CN1CC[C@@]2(C)C(=CC1=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(n3ccnc3)=CC[C@@H]12,0,0,0,0
O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(Br)cn1)c1ccco1,1,0,0,0
NNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1,0,0,0,0
COc1cc(C=C2C(=O)ON=C2C)ccc1OCc1ccccc1F,1,0,0,0
O=C1c2ccccc2C(=O)C12C(c1ccc(O)cc1)=Cc1cc(O)ccc12,0,0,0,0
CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1Cl,0,0,0,0
COc1cccc(-c2nnc(NC(=O)c3ccc(S(=O)(=O)N4CCOCC4)cc3)o2)c1,1,0,0,0
Cc1cccc(N2CCN(C(=O)c3cc4c(=O)oc5ccccc5c4s3)CC2)c1C,0,0,0,0
COC(=O)c1ccc(COc2ccccc2/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
CCNC(=O)C(C)c1ccc(O[C@H]2CCN(c3ccnc(OCc4ccccc4)c3)C2)cc1,0,0,0,0
COC(=O)c1cccc(Cn2c(=O)nc(Nc3ccc(OC(C)C)c(F)c3)n(Cc3ccc(Cl)cc3)c2=O)c1,0,0,0,0
CC(C)Oc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N,0,0,1,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)CC(C)C)c2)n1,0,0,0,0
c1ccc2c(c1)nc1n2CCN1CCNC1CCCCC1,0,0,0,0
CN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc(Cl)cc2)C1=O,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](NO)NC1,0,0,0,0
CNC(CC(C)C)C(=O)NC1C(=O)NC(CC(N)=O)C(=O)NC2C(=O)NC3C(=O)NC(C(=O)NC(C(=O)O)c4cc(O)cc(O)c4-c4cc3ccc4O)C(OC3CC(C)(N)C(O)C(C)O3)c3ccc(c(Cl)c3)Oc3cc2cc(c3OC2OC(CO)C(O)C(O)C2OC2CC(C)(NCc3ccc(-c4ccc(Cl)cc4)cc3)C(O)C(C)O2)Oc2ccc(cc2Cl)C1O,0,0,0,0
CC(=O)O[C@H]1[C@H](OC(C)=O)[C@H](OC(C)=O)CO[C@H]1n1nncc1-c1ccc(S(N)(=O)=O)cc1,0,0,0,0
Cc1nc(N)nc(-c2cc(CN3CCN(S(C)(=O)=O)CC3)cnc2Nc2ccn[nH]2)n1,0,0,0,0
O=C(NCCc1ccccc1Cl)C1CCC(=O)N(CC2CCCCC2)C1,1,0,0,0
Cc1ccc(Sc2ccc(N3CCCC(C(=O)Nc4ccc(Br)cc4)C3)nn2)cc1,1,0,0,0
CCN1CCCn2c1nc1c2c(=O)n(C)c(=O)n1C,0,0,0,0
COc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N,0,0,1,0
CCOC(=O)CN(c1cc(C)cc(OCCc2ccc(C(=N)N)cc2)c1)S(=O)(=O)c1ccccc1Cl,0,0,0,0
Cc1cc(C)c(S(=O)(=O)/N=C2/C=C(SCC(=O)O)C(=O)c3ccccc32)cc1C,1,1,0,0
COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4C)cc3)c(=O)oc2cc1OC,0,0,0,0
CC(C)[C@H](CO)NCc1nc(C2CCC(C)(C)CC2)ccc1F,0,0,0,0
CCOc1ccccc1C1CCC(=O)N1Cc1ccc(F)cc1,0,0,0,0
Cn1nc(C(=O)N2CCN(c3ccccc3F)CC2)c2c1-c1ccccc1S(=O)(=O)C2,0,0,0,0
C=NNc1nc2ccccc2nc1Cc1ccccc1,0,0,0,0
CC(C)CCNC(=O)CC1Nc2c3ccccc3nc(=S)n2C1=O,0,0,0,0
Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccccc2F)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(c4ccccn4)CC3)CC2)cc1,1,0,0,0
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(c3nc4ccccc4o3)CC2)cc1,0,0,0,0
COc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)(F)F,0,0,0,0
CC(C)(C)C(=O)OCOC(=O)C1N2C(=O)C(N=CN3CCCCCC3)C2SC1(C)C,0,0,0,0
CC(C)Cn1c(O)c(/C=C2\C=NN=C2c2ccccc2)sc1=S,0,0,0,0
Cn1nccc1C(=O)NC1CCCc2c1cnn2-c1ccc(C(C)(C)C)cc1,1,0,0,1
Cc1sc2nc(CN3CCCC3)nc(N3CCN(S(=O)(=O)c4cccs4)CC3)c2c1C,1,0,0,0
Cc1cc(C)cc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)NC4CCCCC4)c(=O)c3c2)c1,1,0,0,0
NC(=O)c1nnsc1Sc1c(C(N)=O)nnn1-c1cccc(N)c1,0,0,0,0
COc1ccc(C(OC2OC(CO)C(O)C(O)C2O)C(CO)Oc2ccc(C=CCO)cc2OC)cc1O,0,0,1,0
COc1ccccc1CNc1nc2[nH]c(C)cc(=O)n2n1,0,0,0,0
COc1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1,0,1,0,0
N#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1,0,0,0,0
COc1ccccc1CN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1,0,0,0,0
CCC[C@@H]1C[C@@H]2C[C@]13Cc1cc(O)ccc1C3=C(C)C2=O,0,0,0,0
O=C(O)Cc1cn(C2OCC(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c2ccccc12,0,0,0,0
CC(=O)N=c1sc(S(N)(=O)=O)nn1C,0,0,0,0
COc1ccc(-c2cccc3cnc(Nc4ccc(-n5cnc(-c6ccccn6)n5)cc4)nc23)cc1F,0,0,0,0
COC(=O)C1=C(c2ccc(F)cc2OCc2ccccc2)CC2CCC1N2C(=O)N1CCOCC1,1,0,0,0
CCOc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)n1,0,0,0,0
CCC(CO)n1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2)c1,0,0,0,0
CCOc1ccc(CCNC(=O)COC(=O)COc2ccc(Br)cc2)cc1OCC,1,0,0,0
CNC(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
Cc1nc(CSc2ccc(Cl)cc2)cc(N2CC(C)OC(C)C2)n1,1,0,0,0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCc1cnnn1-c1ccccc1,0,0,0,0
Cc1cccc(OCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1,0,0,0,0
CCOC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,0,0,0,0
O=C(OCC#CCSc1nnc(-c2ccccc2)o1)c1ccco1,0,0,0,0
Nc1cccc2c1CCCC2c1cnc[nH]1,0,0,0,0
O=C(OCCOCCNC1=NS(=O)(=O)c2ccccc21)c1ccccc1Br,0,0,0,0
Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccccc4F)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1C,0,0,0,0
CCOP(=O)(OCC)C(Nc1cc(Cl)cc(Cl)c1)c1cccc(O)c1,1,0,0,0
CCN(CC)CCCC(C)Nc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12,0,0,1,0
CCCCC1(Cc2ccc([N+](=O)[O-])cc2)C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0,0,0,0
O=C1CN=C(n2cnc(-c3ncco3)c2)C=C2c3cccc(-c4cccnc4F)c3CCN12,0,0,0,0
CN(C)/C=C/c1onc(-c2ccccc2Cl)c1C#N,0,1,0,0
Nc1c(S(=O)(=O)O)cc(Nc2ccc(Nc3nc(Cl)nc(Nc4ccc(S(=O)(=O)O)cc4)n3)c(S(=O)(=O)O)c2)c2c1C(=O)c1ccccc1C2=O,0,0,0,0
CN(C)C(=O)CCc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CC(c1cc2c3c(c1)CCN3C(=O)CC2)(n1ccnc1)n1ccnc1,0,0,0,0
CCCCC(c1nnnn1CCOC)N1CCN(c2cccc(OC)c2)CC1,1,0,0,0
COc1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)nn1-c1ccc(Br)cc1,0,0,0,0
CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2c1=O,1,0,0,0
CC[C@H](CC(=O)O)n1c(=O)c2cnccc2n(Cc2cn(C)c3cccc(C)c23)c1=O,0,0,0,0
CC(C)Oc1ccccc1N1CCN(CC2=NOC(CN3CCCCC3=O)C2)CC1,0,0,0,0
CCCCC1CNC(=S)N1CCCc1cc(OC)c(OC)c(OC)c1,0,0,0,0
CC(C)(C)c1nc2scc(-c3ccc(Br)cc3)c2c(=O)o1,0,0,0,0
C=CCC1=CC(=CC=C2NC(=O)C([N+](=O)[O-])C(=O)N2)C=C(OC)C1=O,0,0,0,0
COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CC[C@@H](O)C5)cc4)c(=O)c32)cc1,0,0,0,0
CC1CCCCC12NC(=S)N(c1ccccc1)N2,1,0,0,0
Cc1ccc(S(=O)(=O)N2CC(C)N(S(C)(=O)=O)C2)cc1,0,0,0,0
COc1cc(S(=O)(=O)c2ccc(C(C)O)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
Cn1c(CN2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21,0,0,0,0
COc1ccc(C2C(C#N)=C3Sc4ccccc4N3C(=N)C2C#N)cc1,1,0,0,0
O=C(O)/C=C/c1cccc(-c2cncc(N3CCCNCC3)n2)c1,0,0,0,0
O=C(Nc1cccnc1)N1C[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21,0,0,1,0
O=C(c1ccc2nc(Cc3cccc(Cl)c3)oc2c1)N1CCC(CO)CC1,1,0,0,0
COCCn1c(=O)c(-c2cn(C)c3ccccc23)nc2cnc(N3CCOCC3)nc21,0,0,0,0
CC(C)N(c1ccccc1)c1ncnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,0,0,0,0
COc1ccc(C2CC(=O)C3=C(C2)NC(C)=C(C(=O)Nc2ccccc2C)C3c2coc3ccc(C)cc3c2=O)cc1OC,1,0,0,0
Cc1nnc(NC(=O)c2ccc3ccccc3n2)s1,0,1,0,0
C/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1,0,0,0,0
c1ccc(C2c3[nH]c4ccccc4c3CCN2CCCN2Cc3ccccc3C2)cc1,0,0,0,0
O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1N=Cc1cccc([N+](=O)[O-])c1O,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)c(F)c1,0,0,0,0
O=Cc1c[nH]c2c1ccc1c3ccc(Br)cc3[nH]c12,0,0,0,0
Cc1cc2[nH]c(CSc3ccccc3)cc(=O)n2n1,0,0,0,0
CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1cccc(Cl)c1,0,0,0,0
O=S(=O)(NCC1CCN(CCOc2cccc(F)c2)CC1)c1ccc(F)cc1,0,0,0,0
COc1cc(SC)ccc1C(=O)Nc1nc(C)cs1,0,1,0,0
CC(=O)NCCNc1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1,0,0,0,0
Cc1c(Cl)cc(S(C)(=O)=O)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
C/C=C(\C)C(=O)C(CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13,0,0,0,0
CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccc(F)cc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
COC1=CC(=Cc2c(N)n3nc(CC(=O)N4CCCCC4)sc3nc2=O)C=CC1=O,0,0,0,0
O=C(O)CCc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
CC1(C)[C@H](C(=O)OCc2ccccc2)N2C(=O)[C@H](NC(=O)C(F)(F)F)[C@H]2S1(=O)=O,0,0,0,0
S=C(NCCCN1CCOCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1,1,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(CO)CCN(C(=O)CN)CC5)c34)c(Cl)c2)n1,0,0,0,0
CCN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cc(=O)oc2cc(C)c(C)cc12,1,0,0,0
Cc1cc(Nc2nccc(C)n2)cc(-c2cccc(CCC(=O)O)c2)c1,0,0,0,0
Cc1[nH]n(-c2ccccc2)c(=O)c1C1(C(F)(F)F)C(=O)N(c2ccccc2)C2=C1C(=O)CC1(CCC1)C2,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(C(F)(F)F)cc1C(F)(F)F,0,0,0,0
CCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,0,0,0,0
COc1cc(-c2nc(-c3ccccc3)c(-c3cccc(Cl)c3)[nH]2)cc(OC)c1OC,0,0,0,0
CCCc1cc(C#N)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
O=C(Nc1ccc2c(c1)CCC2)c1ccccc1F,0,1,0,0
O=c1ccn(CCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2cccc(OCC3CC3)c2)c(=O)[nH]1,0,0,0,0
O=C(/C=C/Sc1ccccc1)c1ccccc1,0,1,0,0
O=C(NCCc1ccccc1)C1CCCN(S(=O)(=O)c2cccs2)C1,1,0,0,0
Cn1c(=O)c2c(nc(NCc3cccnc3)n2Cc2ccc(Cl)cc2)n(C)c1=O,0,0,0,0
COc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1OC,0,0,0,0
CCC(C)N1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc(OC)cc2OC)C1=O,1,0,0,0
COc1cccc(-c2c(-c3cc(OC)cc(OC)c3)n(C)c3ccc(-c4ccc5[nH]ccc5c4)cc23)c1,0,0,0,0
CS(=O)(=O)C1(c2nc(-c3cc(F)cc4[nH]ccc34)nc3c2OC[C@@H]2COCCN32)CC1,0,0,0,0
COc1ccc(CNc2nnc(NCc3cccnc3)c3ccc(C#N)cc23)cc1Cl,0,0,0,0
Cc1n[nH]c(NC=C2C(=O)CC(c3ccco3)CC2=O)c1-c1ccc(Cl)cc1,1,0,0,0
Cc1ccc(-c2csc(NN=Cc3ccco3)n2)cc1,1,0,0,0
O=c1cc(-c2ccccc2)c2ccc(O)c(CN3CCCCC3)c2o1,1,0,0,0
CCN(CC)C(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1,0,0,0,0
CN(c1ccccc1C(=O)N1CCCC1)S(C)(=O)=O,0,0,0,0
O=C1CCc2cc(C(c3ccco3)n3ccnc3)cc3c2N1CC3,0,0,0,0
C=CCN1C(=O)NC(=O)C(=C(C)NCCc2c[nH]c3ccccc23)C1=O,0,0,0,0
CCOC(=O)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1,0,0,0,0
O=S(=O)(N=C(Nc1cccc2ccccc12)c1ccccc1)c1cccs1,0,0,0,0
COc1cccc(-c2noc(N)c2C#N)c1,0,0,0,0
Cc1cc(-c2nc3cnc(N4CCOCC4)cc3n2Cc2ccncc2)cn(C)c1=O,0,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)NC(C)C)cc1,0,0,0,0
COc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
CCOC(=O)c1ccc(Nc2c(OCC)c(=O)c2=O)cc1,0,0,0,0
Cc1ccccc1-n1ncc2c(=O)[nH]c(CC3CCCC3)nc21,0,0,0,0
c1ccc2c(c1)CCc1snnc1-2,0,0,0,0
S=C(NCCCc1ccccc1)Nc1ccc(Cl)cc1,0,0,0,0
C[C@@H](OC[C@@]1(c2ccc(F)cc2)CN(C)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
O=c1[nH]ccc2c(NC3CC3)nc3ccc(F)cc3c12,0,0,0,0
O=C(c1ccc(Cl)s1)[C-](C(=S)Nc1ccc(SC(F)F)cc1)[n+]1cccc(CO)c1,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)N1CCC(N)CC1,0,0,0,0
COC(=O)C1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,0,0,0,0
COCCNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N,0,0,1,0
CCc1c(C)sc(NC(=O)c2cc(C)on2)c1C#N,0,1,0,0
COc1cccc(-n2c(=O)c3c(CN(C)Cc4ccccc4)c(-c4ccc(NC(=O)C(C)C)cc4)sc3n(Cc3c(F)cccc3F)c2=O)c1,0,0,0,0
CCOC(=O)CC1c2ccc(C(F)(F)F)cc2S(=O)(=O)N1c1cccc(OC)c1,0,0,0,0
O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(F)cc1)N2,0,0,0,0
CS(=O)(=O)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1,0,0,0,0
Cc1cc(SCc2sc(-c3ccc(C(F)(F)F)c(F)c3)nc2C)ccc1OCC(=O)O,1,0,0,0
CS(=O)(=O)Nc1ccc(-c2cnccc2Cl)c(OCCF)c1,0,0,0,0
CNc1nc(C)c2cc(-c3cccc(O)c3)c(=O)n(C3CCCC3)c2n1,0,0,0,0
N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(CCCN2CCOCC2)c1=O,0,0,0,0
Clc1ccc(-c2ccc(-c3nn4c(-c5ccco5)nnc4s3)o2)cc1,1,0,0,1
O=C1NC(=O)N(Cc2ccc(F)cc2)C(=O)C1=Cc1ccoc1,0,0,0,0
O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)Cc1nnnn1C1CCCC1)OCCO3,0,0,0,0
C=CCSc1nccc(-c2cc(Cl)sc2Cl)n1,0,0,0,0
CC(C)C1(C)OC(=N[C@@H](C)c2ccccc2C(F)(F)F)NC1=O,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC3(C(F)(F)F)COC3)CC2)c1F,0,0,0,0
CCOc1ccc2nc(N=Cc3nc(-c4ccccc4)oc3O)sc2c1,1,0,0,0
Cc1ccc(C(=O)NN2C(=O)/C(=C/c3cccn3C)SC2=S)cc1,1,0,0,0
COC(=O)C1(Cc2ccccc2)CCc2cnc3c(-c4ccc(S(C)(=O)=O)cc4)cnn3c21,0,0,0,0
COc1cccc(C(=O)N(c2ccc(NC(C)=O)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)c1,1,0,0,0
C#Cc1cn2c(-c3ccc(C(=O)NCC)c(C)c3)cnc2c(NCCC(F)(F)F)n1,0,0,0,0
O=c1[nH]c(CCl)nc2cc(-c3ccc(Cl)cc3)sc12,0,1,0,0
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCn1cc(COCCOCCOCCOCCOCCOCCOCCOCCNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nn1)C(=O)O)C(=O)O,0,0,0,0
CC(N)Cn1ccc2c1-c1cc(Cl)ccc1C2,0,0,0,0
Cc1cccc(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2C)c1,0,0,0,0
Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccc3O)cc2)o1,0,0,0,0
CN1C(=O)N(CCC(COc2ccc(-c3ccccc3)cc2)C(=O)NO)C(=O)C1(C)C,0,0,0,1
CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)cc1,1,0,0,0
COc1ccccc1N1CCN(CCCCNC(=O)c2cc3ccccc3o2)CC1,0,0,0,1
COc1ccc2c(c1)N(C)CC(C1=NCCN1)O2,0,0,0,0
CO[C@]12CC[C@@]3(C[C@]1(C)[C@H](O)c1ccoc1)[C@H]1Cc4ccc(O)c5c4[C@@]3(CCN1CC1CC1)[C@H]2O5,0,0,0,0
O=C(Oc1ccccc1-c1nnco1)c1ccccc1,0,0,0,0
O=C(Nc1nc(-c2ccccc2)cs1)c1cccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c1,1,0,0,0
COc1ccc(-c2nnc(SCC(=O)Oc3cccc(C)c3C)o2)cc1,1,0,0,0
CC(C)Oc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CCNCC2)n1,0,0,0,0
COc1ccc(N2C(=O)C(=Cc3ccco3)N=C2SCC(=O)NC(C)C)cc1Cl,0,0,0,0
CC(C)=CC(=O)C(CNCC=O)C1=CC(=O)c2nccc3c2c1nc1ccccc13,0,0,0,0
CC1CCc2nc(NCCO)nc(C(F)(F)F)c2C1,0,0,0,0
O=C(O)C1CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1,0,0,0,0
Cc1cc(C=C(C#N)C(=O)Nc2ccccc2)c(C)n1-c1ccc2c(c1)OCO2,1,0,0,0
Cc1ccc2n(cc[n+]2CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1,0,0,0,0
CC1C=CC2C(C1)C(=O)N(Cc1ccccc1)C2c1ccccc1Br,0,0,0,0
CC(C)n1cc(C(=O)c2cncc(NCCc3cccnc3)n2)c2c(N)ncnc21,0,0,0,0
Cc1[nH]nc2ccc(-c3cc(OC[C@@H](N)Cc4ccccc4)cnc3-c3ccc[nH]3)cc12,0,0,0,0
Cn1ccc2ccc3c4[nH]c5c(CCN6CCC(C(N)=O)CC6)cccc5c4c4c(c3c21)C(=O)NC4=O,0,0,0,1
CC(=O)NC(c1ccc(C)cc1)c1cc([N+](=O)[O-])c2cccnc2c1O,0,0,0,0
COc1ccc(Nc2cc(-c3ccc(C(=O)O)cc3)nn3ccnc23)nc1OC,0,0,0,0
Cc1ccccc1OCCNC=C1C(=O)N(C)C(=O)N(C)C1=O,0,0,0,0
CC(=O)NCCNc1nc(-c2ccc(N(C)C)cc2)nc2ccccc12,0,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccccc1Br,0,0,0,0
COc1cccc(-c2nc(NCCNC(C)=O)c3ccccc3n2)c1,0,0,0,0
c1cnc2nc(Oc3ccc4oc(CN5CCCCC5)cc4c3)sc2c1,0,0,0,0
Cc1ccc(CNC(=O)Cn2ccn(-c3cc(C)cc(C)c3)c(=O)c2=O)cc1,1,0,0,0
CC(C)C1NC(=O)C2CCCN2C1=O,0,0,0,0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)cc1,0,0,0,0
O=C1CCc2cc(S(=O)(=O)NCCC(=O)NC3CCN(Cc4ccccc4)CC3)ccc2N1,0,0,0,0
CCOc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1,0,0,0,0
NC(=O)n1ccc2ccc(-c3ccc(F)cc3)nc21,0,0,0,0
O=S(=O)(NCCO)c1ccc2c(c1)Cc1cc(S(=O)(=O)NCCO)ccc1-2,0,0,0,0
COc1cc(CN2CCN(C(=O)CC(C)C)CC2)cc(OC)c1OC,0,0,0,0
CCn1c(CCNS(=O)(=O)c2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21,0,0,0,0
Cc1ccnc2c(N3C(=O)C4C5C=CC(C5)C4(C)C3=O)cccc12,1,0,0,0
Cc1cccc(CCNC(=O)CC2C(=O)NCCN2Cc2ccccc2C)n1,1,0,0,0
Clc1ccc(N2CC3CC(C2)N3)cn1,0,0,0,0
CN(C)CCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1,0,0,0,0
Cc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1,0,1,0,0
NC(=O)N(O)C1CC(c2cccc(Oc3ccc(F)cc3)c2)C1,0,0,0,0
CN(CCNC(=O)c1ccc(CS(=O)(=O)c2ccc(Br)cc2)o1)CCc1ccccc1,1,0,0,0
C[C@](O)(c1ccc(C(=O)N(C2CCC(CCC#N)CC2)C2CC2)cc1)C(F)(F)F,0,0,0,0
CCC(CC)n1ccc2c(Cc3c(C)cc(C)cc3C)nc3ccnn3c21,0,0,0,0
O=C1C(Nc2ccccc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc21,0,0,0,0
Cc1cc2c(cc1C)C(c1ccsc1)CC(=O)N2,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCC(F)(F)F)ccn2)cc1,0,0,0,0
CCC(=NC1CCN(Cc2ccccc2)CC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0,0,0
CCOc1ccc(CN2CCC(=O)NC2=O)cc1,0,0,0,0
Cc1ccc(C(=O)NNC(=O)C2(C(=O)N[C@H]3CC(=O)OC3O)CCC2)cc1,0,0,0,0
CN1CCN(CCCOc2cnc(-c3cccc(Cn4nc(-n5ccc6ccc(F)cc65)ccc4=O)c3)nc2)CC1,0,0,0,0
CC(C)CCSc1cc(NCCO)c([N+](=O)[O-])c2nonc12,0,0,0,0
CCc1c(C)nc2ncnn2c1Nc1ccc(C(C)=O)cc1,0,1,0,0
CC1=NCCN1S(=O)(=O)c1cccc([N+](=O)[O-])c1,0,0,0,0
Cc1cc(CN2CCN(c3c(Cl)cnc4nc(-c5cccc(N6CCN(C)CC6)c5)[nH]c34)CC2)no1,0,0,0,0
COc1ccc(Nc2ncc(C#N)c(Oc3cccc4c3C(=O)CC4)n2)cc1,0,0,0,0
COCC(=O)Nc1nc(-c2ccc3nccnc3c2)c(-c2ccc(F)c(C)n2)[nH]1,0,0,0,0
O=C1NC(=O)C(=CC=Cc2coc3ccc(Br)cc3c2=O)C(=O)N1,0,0,0,0
CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2cccc(C)c2)c2ccccc21,0,0,0,0
Nc1cc(N2CCN(C(CN3CCCC3)c3cccc(C(F)(F)F)c3)CC2)ncn1,0,0,0,0
C[C@@H](OC[C@]1(c2ccccc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
CS(=O)(=O)NC1CCN(c2cc(-c3ncc(Cl)cc3Cl)c(Cl)cn2)CC1,0,0,0,0
CC(C)CNC(=O)CSc1nnc2ccccn12,0,0,0,0
O=c1ccc2c(OCCCCOc3ccccc3)c3ccoc3cc2o1,0,0,0,1
CCSC1=NCCN1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1ccc(OCCCCn2ccnc2)c([N+](=O)[O-])c1,0,0,0,0
Cc1ccc(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1,0,0,0,0
C[C@@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CN2CCS(=O)(=O)CC2)cc1Cl,0,0,0,0
O=C(c1ccoc1)N1CCN(c2cc(-c3ccco3)nc3cc(-c4ccco4)nn23)CC1,0,0,0,0
CN(CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)CO,0,0,0,0
CCc1cc(-c2noc(-c3cc(C)nc(OC4CCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2cc(F)cc(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
CCOC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,1,0,0,1
NC(=O)c1nn(-c2ccccc2)c2c1CCc1[nH]ncc1-2,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@]2(C(=O)O)CCCO2)nc1,0,0,0,0
COc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,0,0,0,1
NC(=O)C1CC2(CC(c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)=NO2)CN1C(=O)c1ccccc1C(=O)c1ccccc1,1,0,0,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(O)(CNCc2cccc(-n3cccn3)n2)CC1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3nnnn3-c3ccccc3)CC2)cc1,0,0,0,0
O=C1CC(c2ccc(S(=O)(=O)NCc3ccccc3)cc2)CN1,1,0,0,0
CCSc1nc(-c2cccc(Cl)c2)nc2c1Cc1c(CO)cnc(C)c1O2,0,0,0,0
CCN(CC)C(=O)c1ccc(N(c2cccc(O)c2)C2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
CC1(O)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1,0,0,0,0
COC1CCC2(CC1)Oc1ccc(-c3ccccc3)cc1C21N=C(N)N(C)C1=O,0,0,0,0
CCc1nc2sc(C)cc2c(=O)n1CCO,0,0,0,0
CCCCN(C(C)=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)s1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1ccc(Br)cc1,0,0,0,0
CCOC(=O)c1cnc2c(cnn2CC(Cl)c2ccccc2)c1NCc1ccccc1,0,0,0,0
CC(OC(=O)COc1ccccc1Cc1ccccc1)C(=O)N(C)c1ccccc1,1,0,0,0
N#Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1,0,0,0,0
NC(=O)c1ccc(C(F)(F)F)n(Cc2ccccc2Cl)c1=O,0,0,0,0
COc1ccc(NC(=O)Nc2cccc(C)n2)cc1,1,1,0,0
COCc1c(C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)oc2ccccc12,1,0,0,0
Oc1cc2c(cc1CNCCCCCCNCc1cc3c(cc1O)[C@@]14CCCC[C@H]1[C@@H](C3)N(CC1CCC1)CC4)C[C@@H]1[C@@H]3CCCC[C@]23CCN1CC1CCC1,0,0,0,0
Nc1onc(-c2ccc(F)cc2)c1-c1ccncn1,0,0,0,0
O[C@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1,0,0,0,0
CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cc(F)c(F)cc1OC[C@H]2CCN,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
CCOP(=O)(OCC)C(C#N)=C1SCN(c2ccc(Cl)cc2)CS1,1,0,0,0
C=C1C(=O)OCC1C(O)c1cn(C(=O)c2cccnc2Cl)c2ccc(Cl)cc12,0,0,1,0
CCN(CC)P(=S)(c1c(C)nc2ccccn12)c1c(C)nc2ccccn12,1,0,0,0
CCCCCNC(=O)CC1Nc2c3ccccc3nc(=S)n2C1=O,0,0,0,0
CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2NC(=O)CC(C)(C)C)CC1,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(C)cc3)cc2n(CCC)c1=O,0,0,0,0
CCOC(=O)c1ncc2[nH]c3ccc(OCc4ccc5ccccc5c4)cc3c2c1CC,0,0,0,1
CCCOc1ccc(-c2ccc(OCC(CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1,0,0,0,0
COc1ccccc1NCCNCc1ccc(/C=C/C(=O)NO)cc1,0,0,0,1
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc3c(=O)oc4ccccc4c3s2)CC1,0,0,0,0
CCOc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@H](C)C(=O)N[C@@H](C)C#N)c12,0,0,0,0
Cc1sc(Nc2ccc([N+](=O)[O-])cc2)nc1-c1c(C)n(C)n(-c2ccccc2)c1=O,0,0,0,0
NNC(=O)C(=NNc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1,1,0,0,0
Fc1ccc2c(c1)-c1ncnn1Cc1c(C#Cc3ccccc3)ncn1-2,0,0,0,1
CCCCc1ccc(N2C(=O)C3C(CC(N)=O)NC4(C(=O)Nc5ccc(F)cc54)C3C2=O)cc1,1,0,0,0
Cc1ccc(-n2c(COc3c(C)cccc3C)nnc2SCC(=O)Nc2nccs2)cc1,1,0,0,0
CC(=O)Oc1nc(-c2ccccc2)sc1-c1ccccc1,0,0,0,0
CCCCCn1cnc2c(sc3nc4c(cc32)CSC(C)(C)C4)c1=O,0,1,0,0
NC(=O)C1(N2CCCCC2)CCN(C2CC(=O)N(Cc3ccc(N4CCCC4=O)cc3)C2=O)CC1,0,0,0,0
O=C(COC(=O)c1ccncc1)c1ccc(Br)cc1,0,1,0,0
CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5cccnc5)no4)cc3)cc2)C(=O)NC(=O)NC1=O,0,0,0,0
CC(C)(C)n1cc2c(n1)C(=O)NC1(CCN(C(=O)c3ccc4c(N)nccc4c3)CC1)C2,0,0,0,0
Cc1ccc(/C=N/NC(=O)c2cc3ccccc3cc2O)o1,0,1,0,0
Cc1ccc(NCc2ccccc2F)cc1,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(Cl)c2)cn1,0,0,0,0
CCc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)n2)cc1,0,0,0,0
COc1ccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)cc1OC,0,0,0,0
COc1ccc(/C=N/NC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1,1,0,0,0
Nc1ncnc2c1sc1cc(-c3cccc(C(=O)N4CCOCC4)c3)ccc12,0,0,0,0
FC(F)(F)c1cccc(CN(CCCOc2ccc3[nH]ccc3c2)CC(c2ccccc2)c2ccccc2)c1Cl,0,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2c(Cl)cc(C(F)(F)F)cn2n1,0,0,0,0
O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3cc(Cc4ccccc4)on3)CC2)[C@@H](c2ccccc2)C1,0,0,0,0
Cc1c(Cc2ccc(C(F)(F)F)cc2S(=O)(=O)c2ccccc2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
CCOC(=O)c1cnc(SC2CC(=O)N(c3ccc(OC)c(OC)c3)C2=O)nc1N,0,0,0,0
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)Nc1ccc2c(c1)CCC2,1,0,0,0
COc1ccc(N2CCC(CNC(=S)Nc3cc(C)ccc3C)C2)cc1,0,0,0,0
Nc1ncc2c(n1)CC(c1ccco1)CC2=O,0,0,0,0
CN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2cccc(Cl)c2)s1,0,1,0,0
CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCOC)c2n1,1,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@H](CO)CF)c12,0,0,0,0
CCc1ccc(NC(=O)C2CCN(C(=O)N3CC(CC)Oc4ccccc43)CC2)cc1,1,0,0,0
O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)C(Cc1ccc(Cl)c(Cl)c1)C(N1CCC(F)C1)CC2,0,0,0,0
COc1cc(N(CC2CC2)c2cccc3c(C)ccnc23)cnc1C(=O)C1CC1C(=O)O,0,0,0,0
COC(=O)[C@H]1[C@H](C(=O)OC)[C@@H](C(=O)OC)N(c2ccc(OC)cc2)[C@@H]1C(=O)OC,0,0,0,0
Nc1ncnc2c1ncn2CCNCCc1ccccc1,0,0,0,0
C=CCn1c(SC(C)C#N)nc2sc(CC)cc2c1=O,0,0,0,0
O=C(c1ccc(O)cc1O)N(Cc1cccnc1)c1ccc(-c2ccc(Cl)nc2)cc1,0,0,0,0
COC(=O)[C@@H]1C[C@H](OC(=O)c2cccs2)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@H](c3ccoc3)C[C@]21C,0,0,0,0
FC(F)(F)Oc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c(Br)c1,0,0,0,0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccsc4)c3)cc21,0,0,0,0
CC(NC(=S)NCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2,0,0,0,0
N[C@@H](CSC1(c2cccc(C(F)(F)F)c2)c2ccccc2CCc2ccccc21)C(=O)O,0,0,0,0
COc1ccc(C2=NN(CCCCOc3ccc(CC(C)NCC(O)c4ccc(O)c(NC=O)c4)cc3)C(=O)C3CCCCC23)cc1OC,0,0,0,0
Cc1cccc(N2C(=O)/C(=C/Nc3ccc4c(c3)OCO4)c3ccccc3C2=O)n1,1,0,0,0
CN(C[C@@H](CCN1CCC2(CC1)CS(=O)(=O)c1ccccc12)c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccs1,0,0,0,0
CCN(C)CCc1c(-c2ccc(C#N)cc2)[nH]c2ccccc12,0,0,0,0
COc1nc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12,0,0,0,0
CCOc1ccccc1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)cc1,0,0,0,0
c1ccc(Nc2nnc(-c3ccc4[nH]cc(-c5cncc(C6CC6)n5)c4c3)o2)cc1,0,0,0,0
C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(N4CCC(N5CCN(C)CC5)CC4)cc3OC)n2)c1,0,0,1,0
O=C(CN1CCN(C2CCCCC2)CC1)Nc1ccccc1-c1ccccc1,1,0,0,0
CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CCC)N2,0,0,0,0
c1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,0,0,0,1
Nc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
COc1cccc(C(CC(C)C)C2CCCCN2)c1,0,0,0,0
CC(C)N(CCCNC(=O)C1CCN(C(=O)c2cc3sccc3n2C)CC1)Cc1ccccc1,1,0,0,0
O=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1C(F)(F)F,0,0,0,0
COc1cc(CNc2ccc(N3CCOCC3)c(C(=O)O)c2)ccc1OCC(N)=O,0,0,0,0
CC(C)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,0,0,0,0
Cc1ccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(Cl)c2)cc1,1,0,0,0
COc1ccc(C2NC(=O)NC(C)=C2[N+](=O)[O-])cc1OC,0,0,0,0
CCOC(=O)C1CCN(C(c2cccc(F)c2)c2c(O)cc(C)n(CCOC)c2=O)CC1,0,0,0,0
C[N+](C)([O-])CCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23,0,0,0,0
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1,0,0,0,0
Cc1cn2c(-c3ccncc3)cnc2c(Nc2ccc(C(=O)N3CCNCC3)c(Cl)c2)n1,0,0,0,0
CC(NC(=O)N1CCn2c(C#N)c(-c3cccc(F)c3)c(C(N)=O)c2C1)C(F)(F)F,0,0,0,0
COC(=O)C(CSc1ccc([N+](=O)[O-])c2nonc12)NC(=O)OC(C)(C)C,0,0,0,0
O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2ncsc12)N1CCCCC1,0,0,0,0
COc1ccc(C=C2SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1,1,0,0,0
Cc1ccccc1OCCCCn1c(CCNC(=O)C(C)(C)C)nc2ccccc21,1,0,0,0
Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccccc2Cl)n1,0,0,0,0
CCOc1ccc(C(c2c(O)cc(C)n(CCOC)c2=O)N2CCC(C)CC2)cc1,1,0,0,0
O=c1[nH]sc2cc(Cl)ccc12,0,0,0,0
N#Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1,0,0,0,0
NC(N)=N/N=C/c1ccc(N2CCOCC2)cc1,0,0,0,0
C=CCn1c(Oc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
COc1ncnc(OC)c1S(=O)(=O)NCc1ccccc1,0,0,0,0
Cn1c(NCCO)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,1,0,0,0
CCc1ccc2c(O)c3c(cc2c1C(=O)OC)C(=O)c1c(O)ccc(O)c1C3=O,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)NCCCCCCC(=O)NO)cc3)nc2c(=O)[nH]1,0,0,0,0
CC(C)NC(=O)C1(C)CCCC2(C)C3CCC4(C)CC3(CCC12)CC4=O,1,0,0,0
O=c1c2c(nc3c(-c4cccc5ccccc45)c[nH]n13)CCC2,0,0,0,0
COCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21,0,0,0,0
O=C(Oc1ccccc1)c1ccc2ccccc2c1O,0,1,0,0
CC(C)(C(=O)O)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CC(F)(F)CN)C(=O)O)cc1,0,0,0,0
CCN(CC)CCCNC(=O)c1ccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Oc1ccc(-c2cnc(-c3cc(O)c(O)cc3Br)s2)cc1O,0,0,0,0
Cc1c(NS(=O)(=O)c2cccs2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
O=C1CC2(CCCC2)Oc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc21,0,0,0,0
CCCc1cc(Nc2cccc(OCC)c2)n2ncnc2n1,0,0,0,0
O=c1ccnc2ccc(-c3cnc4nc(N5CCC(N6CCCCC6)CC5)oc4c3)cn12,0,0,0,0
Cc1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1,0,0,0,0
CCOc1ccc2c(c1)-c1c(sn(-c3ccc(OC)c(OC)c3)c1=S)C(C)(C)N2,0,0,0,0
Cc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)c(C)c1,1,0,0,0
COc1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CC(C)C)CC(=O)N32)c(OC)c1,1,0,0,0
Cc1c2c(n(-c3ccc(Cl)cc3Cl)c1-c1ccc(Cl)cc1)CCN(N1CCCCC1)C2=O,0,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1cccc(C)c1,0,0,0,0
O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)c(F)c1,0,0,0,0
CCCCCCCC(=O)NCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
Cc1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1C,0,0,0,0
FCCn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1,0,0,0,0
Nc1onc(-c2ccc(Cl)o2)c1-c1ccccc1,0,0,0,0
CC(=O)N1CCN(CCOc2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)CC1,0,0,0,0
CC1C(=O)NC(=O)C1c1ccccc1,0,0,0,0
CCOC(=O)N1CCN(C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(C)c2)CC1,1,0,0,0
CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCC(=O)Nc1nccs1,1,0,0,0
COc1cccc(OC)c1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
CC1CCN(C[C@H](C)Oc2ccc(Cl)cc2)CC1,0,0,0,0
CCCn1c(=O)c2[nH]c(C3CCC(COCc4ccccc4)CC3)nc2n(CCC)c1=O,0,0,0,0
CCOC(=O)c1ccc(N2C(=O)Cc3cc(OCC)c(OCC)cc3C2c2ccccc2)cc1,0,0,0,0
CS(=O)(=O)N1CCCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1,0,0,0,0
Cc1cnc(CNc2cc(-c3ccccc3CN(C)C)ncn2)cn1,0,0,0,0
Cc1ccccc1Nc1nc(N)nc(CN(C)Cc2ccccc2Cl)n1,0,0,0,0
c1ccc2sc(Nc3ccc(Oc4nccnc4N4CCOCC4)cc3)nc2c1,0,0,0,0
CC(=O)NC(C)c1ccc(OC2CN(c3cnc(OC4CCC4)nc3)C2)cc1,0,0,0,0
COc1cc(C=C2SC(=S)N(N3CCOCC3)C2=O)cc(OC)c1OC,1,0,0,0
CCC(=O)N(Cc1ccco1)c1nc(-c2ccccc2)cs1,0,0,0,0
Cc1ccc(CNC(=O)C=Cc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1,1,0,0,0
C=CC(=O)Nc1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(OC4CCOCC4)cc3)nn21,0,0,0,0
O=C(OCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccco1,0,0,0,0
C[C@@H]1CCCN1CCc1ccc2nc(-c3ccc4nccnc4c3)ccc2c1,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3cccc(F)c3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,0,0,0,0
CCC(c1nnnn1C1CCCC1)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O,1,0,0,0
CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2,0,0,0,0
CC(NNc1ccc(C(=O)O)cc1)=C1C=CC(O)=C(O)C1=O,0,0,0,0
c1ncc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)s1,0,0,0,0
Cc1nccc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccc(N2CCN(CC(O)COC(c3ccccc3)c3ccccc3)CC2)cc1,1,0,0,0
CC[C@@H](Nc1cccc(CN2CC[C@@H](C(=O)O)C2)c1F)c1ccc(Cl)c(C)c1,0,0,0,0
O=C1NCCc2nc(C#Cc3cccc(F)c3)sc21,0,0,0,0
CCCCCCCCCCOCC1CN(C(=S)SSC(=S)N2CCCOC(COCCCCCCCCCC)C2)CCCO1,0,0,1,0
NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(-c3cccc4[nH]ccc34)sc12,0,0,0,0
C[C@@H](C(=O)NCCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1)C(=O)OC(C)(C)C,0,0,0,0
CCn1c(=O)n(CC)c2cc(-c3nc[nH]c3-c3ccc(F)cc3)ccc21,0,0,0,0
COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)c(Cl)c1.Cl,0,1,0,0
CCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F,0,0,0,0
CC(=O)c1cccc(Nc2nc3ccccc3n3cnnc23)c1,0,0,0,0
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1,0,0,0,0
COc1ccccc1Nc1cc(C(=O)NCCCN(C)c2ccccc2)c2ccccc2n1,1,0,0,0
COCCSc1ccccc1C(=O)N1CCCC1,0,0,0,0
O=c1[nH]c(-c2ccc(-c3cnc(N4CCOCC4)c4nc(/C=C/c5ccc6ccccc6n5)cn34)cn2)no1,0,0,0,0
Cc1cc(N=S2(=O)CC3(COC3)C2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC(F)(F)F)c12,0,0,0,0
COc1cncc(C(CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1,0,0,0,0
COc1cc(N2Cc3ccc(-c4ccc(Cl)cc4)nc3C2=O)ccc1OCCN1CCCC1,0,0,0,0
COc1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1,0,0,0,0
CCCc1cc(N2CCCNC(=O)C2)nc2sc(C(N)=O)c(N)c12,0,0,0,0
NC(=O)c1cnc(N[C@H]2CCNC2)c2cc(-c3ccc(Cl)cc3)sc12,0,0,0,0
Cc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)cc1,1,0,0,0
N#CCC(=O)N/N=C/c1ccc(Sc2nc3ccccc3s2)o1,1,0,0,0
COc1cccc(CNc2nc(N3CCNCC3)nc3c2ncn3C(C)C)c1O,0,0,0,0
Cn1cc(-c2cc(NS(C)(=O)=O)ccc2Oc2cccnc2)c2cc[nH]c2c1=O,0,0,0,0
COC(=O)C1(C)NC(c2ccccc2C)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
Cc1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ncc[nH]1,0,0,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NCCO,0,0,0,0
O=S(=O)(/N=C(\c1ccccc1F)N1CCCCC1)c1ccccc1,0,0,0,0
CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(C2CCC3(CC2)CC(C)=NO3)c2ncnn12,0,0,0,0
COc1cc2c(cc1OC)C1=C(C#N)CCC(=NS(=O)(=O)c3ccccc3)N1CC2,1,0,0,0
COc1cccc(CNc2ccc([N+](=O)[O-])cc2Cl)c1O,0,0,0,0
CCCc1cc(Nc2ccccc2)n2ncnc2n1,0,0,0,0
CCOC(=O)c1c(C)oc2nc(C)nc(NCCc3ccc(OCC)cc3)c12,0,0,0,0
O=C(O)Cc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
COc1ccc(OC)c(NC(=O)CSc2nnc(CNC(=O)COc3ccc(Cl)cc3)o2)c1,1,0,0,0
CCOc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3CCN(S(=O)(=O)Cc4ccccc4)CC3)s2)cc1,0,0,0,0
Nc1c(-c2ccccc2)nc(Cl)nc1-c1ccccc1,0,0,0,0
CC[C@H](C)[C@H](NC(C)=O)C(=O)N[C@H]1CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC1=O,0,0,0,0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3CC1CC1,0,0,0,0
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1nnc(-c2ccccc2)s1,1,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3F)C2)nc(C2CC2)c1Cl,0,0,0,0
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc(=O)[nH]c2ccccc12,1,0,0,0
N#Cc1cn(-c2ccccc2)c2c(N3CCN(Cc4ccccc4)CC3)ncnc12,0,0,0,0
CCOc1ccc([N+](=O)[O-])cc1CNC1CCCCCCC1,0,0,0,0
CNc1ncc(Oc2ccc(S(=O)(=O)Nc3ccc(F)cn3)cc2C#N)cc1Cl,0,0,0,0
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1OC1CCCCC1,0,0,0,0
O=C(O)c1cc(-c2c(-c3ccccc3)nn3ccccc23)n[nH]c1=O,0,0,1,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(F)(F)F)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1nc2cc(-c3ccc(Cl)cc3)nn2c(-c2ccc(Cl)cc2Cl)c1CN,0,0,0,0
Cc1cc(OCCn2cnc3ccccc3c2=O)ccc1[N+](=O)[O-],0,0,0,0
CCCn1nnc2ccccc2c1=O,0,0,0,0
CCOc1ccc(C2C([N+](=O)[O-])=C(C)N(C)C(=O)N2C)cc1OC,0,0,0,0
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=O)c3ccccc3[N+](=O)[O-])C1(O)CCC2C1=CC(=O)OC1,1,0,0,0
Cc1ccc(-c2csc(N)n2)s1,0,1,0,0
O=C(NO)c1ccc(-c2ccc(CNCc3ccc(-c4ccccc4)cc3)cn2)s1,0,0,0,0
CCOc1ccc2nc3ccc4[nH]onc4c3c2c1,0,0,0,0
C[C@@H]1CN(c2ccc(F)cc2C(F)(F)F)CCN1S(=O)(=O)c1ccc(-n2cncn2)cc1Cl,0,0,0,0
CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccccc3F)cc2)CC1,0,0,0,0
CN(CC(=O)N1CCc2ccccc21)S(=O)(=O)c1cccs1,0,1,0,0
Clc1ccc(-c2cc(-c3ccccc3)on2)cc1,0,1,0,0
COCCN1C(=O)COc2c1cnc1ccc(Sc3nnc4ccc(-c5cnn(C)c5)cn34)cc21,0,0,0,0
c1ccc(-c2nn3c(Cn4nnc5ccccc54)nnc3s2)nc1,0,0,0,0
O=C(O)C1CCCCC1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1,0,0,0,1
CN1CCC[C@H]1COc1cc(F)cc(Nc2ccc(I)cc2F)c1C(N)=O,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)NO)cc3)nc2c(=O)[nH]1,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(C#N)cn4)cc[nH]c3=O)nc12,0,0,0,0
O=S(=O)(Nc1ccccc1N1CCCCC1)c1ccc(Cl)s1,0,0,0,0
COc1ccc(CNC(=O)CCCN2C(=O)CSc3c2c(C)nn3-c2ccccc2)c(OC)c1,1,0,0,0
CCCCOc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1,1,0,0,0
Cc1ccc(-c2noc(C)c2-c2ccccc2)o1,0,0,0,0
O=c1cc(CN(c2cccc(Cl)c2)c2ncccn2)c2ccc(F)c(F)c2[nH]1,0,0,0,0
CN(C)CCN=C(N)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cccc(Cl)c2)CC1,0,0,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1Cl,0,0,0,0
Cc1nnc(SCc2cccc3ccccc23)s1,0,1,0,0
O=C(O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCC2,1,0,0,0
Fc1ccc(Nc2ncnc3nc(Nc4ccc(CN5CCOCC5)cc4)sc23)cc1Cl,0,0,0,0
Cc1n[nH]c(=O)c2c1nnn2Cc1ccccc1Cl,0,0,0,0
CC1CCCCC12NC(=O)N(CC(=O)Nc1sc3c(c1C(N)=O)CCC3)C2=O,0,0,0,1
CCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)NC2CCC(O)CC2)ccc1Cl,1,0,0,0
Cc1nn2ccc(C3CCOCC3)nc2c1Cc1cccc(C(F)(F)F)c1C,0,0,0,0
CC(C)COc1ncc(-c2nn(C)c3cc4c(NS(=O)(=O)C5CC5)noc4cc23)cc1Cl,0,0,0,0
CCn1c(C)cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1C,0,0,0,0
COc1cc(OC)c(-c2noc(C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C)c(OC)c1,1,0,0,0
CCCNC(=O)COc1ccc2c(=O)c(Oc3ccccc3F)coc2c1,0,0,0,0
c1nc(N2CCOCC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1,0,0,0,0
O=C(O)CNC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O,0,0,0,0
Cc1cc(N/N=C/c2ccccc2)nc(NCc2ccccc2)n1,0,1,0,0
c1cn2cc(CSC3CCCCC3)nc2s1,0,1,0,0
CN(Cc1ccccc1)Cc1c[nH]c2ccccc12,0,0,0,0
COc1ccc(CC2C(=O)OC(C)(C)OC2=O)cc1,0,0,0,0
COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccccc1F,0,0,0,0
CCOCC(=O)Nc1nnc(Cc2ccc(OC)c(OC)c2)s1,0,0,0,0
Cc1c(CCC(=O)N2CCC(C(=O)NCCCCCC(=O)O)CC2)c(=O)oc2cc3oc4c(c3cc12)CCCC4,0,1,0,0
NC(=O)c1ccc(NCc2cc(F)c(F)c(F)c2)c2cccnc12,0,0,0,0
Cc1c(NC(=O)NCCN2C(=O)C3C4C=CC(C4)C3C2=O)c(=O)n(-c2ccccc2)n1C,1,0,0,0
CCCCCCCCCCCCCCCC(=O)OCCOCCOCCNCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)[C@@H](C)CC)C(N)=O,0,0,0,0
CCN1CCC(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CC4)n3)cc2F)CC1,0,0,0,0
Nc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1S(=O)(=O)c1ccc(Cl)cc1,0,0,1,0
N/C(=N\c1nc2c(c(=O)[nH]1)CCC2)Nc1ccccc1C(F)(F)F,0,0,0,0
O=S(=O)(c1ccccc1)c1csc2c(N3CCNCC3)cccc12,0,0,0,0
O=C(O)c1ccc(N2CC3(CCN(Cc4nc(C5CC5)oc4-c4ccc(F)c(Cl)c4)CC3)OC2=O)cc1,0,0,0,0
CC(CCc1ccccc1)NC(=O)CN1CCc2ccccc2C1,1,0,0,0
COC(=O)C1=C(C)N(c2cccc(C)c2)C(=O)/C1=C\c1cccs1,0,0,0,0
CCSc1ccc(-c2cnccn2)c2c1C(=O)CC(C)C2,0,0,0,1
O=C1CC(S/C(=N/c2ccccc2)Nc2ccccc2)C(=O)N1c1cccc2ccccc12,0,0,0,0
NC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0,0,0,0
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)c2ccccc2S3(=O)=O)CC1,1,0,0,0
Cc1cc(C)cc(-n2ccnc(NCCc3ccccc3)c2=O)c1,0,0,0,0
C=CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(SCc4ncc(C(C)(C)C)o4)s3)C2)nc1,0,0,1,0
COc1cccc2c(NCc3ccccc3)nc(-n3c(OC)nc4ccccc43)nc12,0,0,0,0
COc1cccc(NC(=O)Cn2c3ccccc3c3nc4n(c(=O)c32)CCCS4)c1,1,0,0,0
O=S1(=O)CCC(COc2ccc3c(c2)CCC2(CCN(C4CCC4)CC2)O3)CC1,0,0,0,0
Cc1c(Oc2ccc(C#N)cc2F)ncnc1N1C2CC3CC1CC(C2)N3C(=O)OC(C)(C)C,0,0,0,0
CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(c2ncc(F)cn2)CC1,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccc(F)cc23)C1,0,0,0,0
Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(C#N)cc1,0,0,0,0
CCCCCN(C(=O)CCCCBr)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
Cc1c(N/C(=N/S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1ccc(C(C2Sc3nc(C)nn3C2=O)N2CCCCC2)cc1,0,0,0,0
NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3cccc(F)c31)C1CCC1)CO2,0,0,0,0
COc1ccc(CNc2ccc(-c3ccc(C[C@H](N)C(=O)O)cc3)nn2)cc1OC1CCCC1,0,0,0,0
Cc1cc(C)cc(C(=O)N2CCC(NCc3cccc4ccccc34)CC2Cc2ccccc2)c1,0,0,0,0
O=C(NC1CONC1=O)OCC(Cl)(Cl)Cl,0,0,0,0
CS(=O)(=O)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
CCOC(=O)c1c(C)oc2nc(C)nc(NCCc3ccc(S(N)(=O)=O)cc3)c12,0,0,0,0
N#CCSc1nc2c(cc1C#N)CCCCCC2,0,0,0,0
C[C@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(F)(F)C4CC4)cc32)[C@H](CN2CCCC2=O)CN1,0,0,0,0
Cc1cc(CSc2n[nH]c(Nc3ccccc3C)n2)no1,0,0,0,0
O=C(O)c1cc2c(s1)CCCC2,0,0,0,0
CC#CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccc(F)cc5)cc4)nn32)CC1,0,0,0,0
O=C(O)C=CC(=O)c1ccc2c(c1)NC(=O)CO2,0,0,0,0
CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1,0,0,0,0
COC(=O)C1=C(COc2ccccc2)NC(=O)NC1c1ccc(Br)cc1,0,0,0,0
Cc1ccc(N2CCN(C(=O)c3cc(COc4c(C)cccc4C)on3)CC2)c(C)c1,1,0,0,0
C=C1CCC2C(C)(CO)C(OC3OC(CO)C(O)C(O)C3O)CCC2(C)C1C(=O)CC1=CCOC1=O,0,0,1,0
Cc1c(CC(=O)O)cc2ccc(Cl)cc2c1-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1,0,0,0,0
COC(=O)c1ccc2c(=O)n(CCC3=CCCCC3)c(SCC(=O)N3CCCC3)nc2c1,1,0,0,0
COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccc(F)cc3)cnn2C1c1ccc(Cl)cc1,1,0,0,0
Fc1ccccc1[C@H](Nc1nnc(-c2c[nH]c3ncncc23)o1)C1CC1,0,0,0,1
Cc1ccc(/C=N/n2c(-c3cccs3)n[nH]c2=S)cc1,0,0,0,0
O=C1OCCC1Sc1nc2ccccc2n1Cc1ccccc1,0,0,0,0
O=C1NCCCC[C@H]1NC(=O)C12CC3CC(CC(C3)C1)C2,0,0,0,0
CCOc1c(Br)cc(CNc2nnc[nH]2)cc1OC,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(OCc5ccccc5)cc4=O)nc31)CNCC2,0,0,0,0
COCCN(CCOC)Cc1c(O)ccc2c1OC(=Cc1ccco1)C2=O,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12,0,0,1,0
CCOc1ccc2nc(N3CCCC(C(=O)NCCCOC)C3)sc2c1,1,1,0,0
COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(Cl)c1,0,0,0,0
Cc1ccc(SCCSc2ncccn2)cc1,0,1,0,0
CCc1nc2ccccc2c(C(=O)OCCN2C(=O)c3ccccc3C2=O)c1C,1,0,0,0
COC(=O)c1ccc(CN2CCN(CCC(C)C)C(CCO)C2)cc1,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1-c1ccccc1,0,0,0,0
C=CCSC(=Nn1cnc2ccccc2c1=O)N1CCCCC1,0,0,0,0
CC(C)n1c(Cn2nc(-c3cc(O)cc(F)c3)c3c(N)ncnc32)cc2cccc(F)c2c1=O,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4cc(F)ccc4n3)CC2)c1,0,0,0,0
Cc1ccc(OCC(=O)N/N=C\c2ccc(O)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1,0,1,0,0
Cc1ccccc1CNC(=O)CCCn1nc(C)c2sc3ccccc3c2c1=O,1,0,0,0
N#C[C@@H]1CCN(C(=O)OC(CF)CF)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
O=C(NC(=S)Nc1ccc(Cl)cn1)c1cccs1,0,1,0,0
CN(C)c1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12,1,0,0,0
C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccc(Br)cc2)c(O)c1,0,0,0,0
O=C(O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,0,0,0,0
COc1ccc(C(C#N)N(C(=O)CCCl)c2ccccc2C)cc1,0,0,0,0
CC(Nc1nccc(N2C(=O)OC[C@H]2C(C)C)n1)c1ccc2c(c1)OCCO2,0,0,0,0
Oc1ccc(C2CC(c3ccccc3O)=NN2c2ccc(Cl)cc2)cc1O,0,0,0,0
COC(=O)c1sccc1NC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12,1,0,0,0
O=C(O)COc1ccc(Cl)cc1N(C1c2scnc2CCN1C(=O)OCc1ccccc1)S(=O)(=O)C1CC1,0,0,0,0
COc1cc(NC(C)C(=O)N2CC(C)OC(C)C2)cc(OC)c1,1,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCCC[C@H]3CO)cc2F)cn1,0,0,0,0
CCn1cnc2c1c(=O)n(Cc1cccc(Br)c1)c(=O)n2Cc1ccccc1,0,0,0,0
COc1ccc(/C=N/NC(=O)c2sccc2OCc2ccc(F)cc2)cc1OC,1,1,0,0
OC(COc1cccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)c1)CN1CCc2ccccc2C1,0,0,0,0
O=C(O)/C=N/OC(c1ccc(OCc2ccc3ccccc3n2)cc1)C1CCCC1,0,0,0,0
CNC(c1nc2ncc(C#N)cc2[nH]1)(c1c(OC)cc(C)c2[nH]ccc12)C(F)(F)F,0,0,0,0
N=C1SC(=Cc2ccccc2F)C(=O)N1c1ccc(F)cc1,1,0,0,0
COCCOc1cc2ncnc(N3CCN(C(=S)NCc4ccc5c(c4)OCO5)CC3)c2cc1OC,0,0,0,0
[O-][n+]1ccc(CC(c2ccc(C(O)c3ccccc3)nc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1,0,0,0,0
Cc1ccc(C(=O)N(N=C2NS(=O)(=O)c3ccccc32)S(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ccccc2Cl)cc1,0,0,0,0
CCCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,0,0,0,0
COc1ccccc1NC(=O)C1=C(C)NC2=C(C(=O)CCC2)C1c1ccc(C)o1,0,0,0,0
COc1cccc(C(C)=NNc2ccc(S(=O)(=O)N3CCCCC3)cn2)c1,0,0,0,0
COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c(cc1F)ncc1ncn(C3(C)CCN(C(=O)CO)CC3)c12,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N,0,0,1,0
CC(=O)Nc1ccc(CN2CCN(Cc3ccc(C)cc3)C(CCO)C2)cc1,0,0,0,0
CCOc1cc(CNc2nnc[nH]2)ccc1OCC(=O)NC(C)(C)C,0,0,0,0
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3ccc4ccccc4c3)CCC1CC2)(c1ccccc1)N1CCCCC1,0,0,0,0
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=O)c3ccccc3F)C1(O)CCC2C1=CC(=O)OC1,0,0,0,0
NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCCN4CCN(Cc5ccccc5)CC4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
Nc1ccccc1-c1nnc(SCc2ccccc2Cl)[nH]c1=O,0,0,0,0
COC[C@H](O)Cn1c(=O)cnn(-c2ccc(C)c(NC(=O)C3=CN(C)C(=O)C[C@H]3c3ccc(F)cc3)c2)c1=O,0,0,0,0
Cn1ccc(-c2ccc3c(c2)c(C2CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1,0,0,0,0
COc1ccc(Cl)cc1NC(=O)c1cnc2sccn2c1=O,1,0,0,0
Cc1n[nH]c(N2CCc3ccccc3C2)nc1=O,0,0,0,0
CCCCn1ncc(C(=O)O)c1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CCOc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0,0,0
Cc1nc2ccc(NS(=O)(=O)c3ccc(F)c(C)c3)cc2[nH]1,0,0,0,0
COc1ccc(F)cc1CN1CCC(=O)C(C(c2ccc(F)cc2)c2ccc(F)cc2)C1,0,0,0,0
COCCn1c(=O)c2c(nc(Cc3c(F)cccc3F)n2C)n(Cc2ccco2)c1=O,0,0,0,0
O=C1CN(C(=O)CNC(=O)c2ccccc2Cl)c2ccccc2N1,0,0,0,0
CC#CCn1c(N2CCCC(NC(=O)OC(C)(C)C)C2)nc2c1c(=O)n(Cc1nc(NCc3ccccc3)c3ccccc3n1)c(=O)n2C,0,0,0,0
COc1ccc(C(=O)C(Cc2cc(C(C)=O)ccc2OC)N2CCCC2)cc1,0,0,0,0
CC1(C)[C@@H](Nc2c(C(N)=O)cnn3cc(-c4cccnc4)cc23)CC[C@@]1(C)N,0,0,0,0
CCCOc1ccc(S(=O)(=O)N2CCN(CCP(=O)(O)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1,0,0,0,0
CC#C[C@@H](CC(=O)O)c1ccc(OCc2cccc(CN(Cc3ccsc3)C3CCCC3)c2)cc1,0,0,0,0
Cc1nc2cc(-c3cccc(Cl)c3)nn2c(N2CCN(C(=O)c3ccsc3)CC2)c1C,0,0,0,0
COc1ccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(F)cc3)c(C)o2)cc1,1,0,0,0
C=CC(=O)N1CC[C@H](n2nc(-c3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1,0,0,1,0
CCOC(=O)C1=C(C)N(CCO)C(=O)NC1c1cccc(O)c1,0,0,0,0
O=C(c1nn(-c2ccc(CN3CCCCC3)nc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
Cn1cc(-c2cc(OCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1nc2ccc(NCCN(C)C)c3c(=O)c4cc(F)ccc4n1c23,0,0,0,0
Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2CC2CCCO2)c1,1,0,0,0
CCC(C)(C)C(NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)OCc1ccccc1)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1,0,0,0,1
CC1C=CC(Cc2ccccc2)(C(=O)O)N1C(=O)c1ccccc1,0,0,0,0
COCC1=C(C(=O)C(C)(C)C)N2C(=O)[C@H](Cl)C2S(=O)(=O)C1,0,0,0,0
COc1ccc(COC(=O)C2=C(C)NC(=O)CC2c2cccc(Cl)c2Cl)cc1,0,0,0,0
Cc1ccc(CN2CC(C(=O)Nc3cc(C)ccn3)CC2=O)cc1,0,1,0,0
COCC(C)(O)C#Cc1cc2c(cc1F)OCCn1c-2nc(C(N)=O)c1-c1n[nH]c(C2CC2)n1,0,0,0,0
COC(=O)c1c(-c2ccc(F)cc2)noc1N,0,0,0,0
C=CCn1nc(N)c2cc(-c3c(-c4ccccc4)nn4ccccc34)nnc21,0,0,0,0
CNS(=O)(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1,0,0,0,0
CCCc1nc(C)c2c(NS(=O)(=O)CCC)nc3ccc(OC)nc3n12,0,0,0,0
COc1cc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc(OC)c1OC,0,0,0,0
CCOc1c(O)ccc(C2NC(=O)N(C)C(C)=C2C(=O)OC)c1[N+](=O)[O-],0,0,0,0
O=C(c1cnccn1)N1CCC2(CC1)CN(Cc1nccs1)C2,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@@H](N)C(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1,0,0,0,1
O=C1NS(=O)(=O)Nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O,0,0,0,0
O=C1CC(Sc2ncccn2)C(=O)N1c1ccccc1,0,0,0,0
CCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4cccc(C(C)C)c4)C3)c2cc1OC,0,0,0,0
Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NCc1ccc(OC(C)C)cc1)C(=O)CS2,1,0,0,0
COc1ccccc1-c1cccnc1Oc1ccc(C(=O)c2nc3ccccc3[nH]2)cc1,0,0,0,0
COc1cc2c(cc1OC)-c1n[nH]c(-c3cnccn3)c1C2,0,0,0,0
CN1c2ccccc2C(C)(C)C12CC(c1cccc(S(=O)(=O)N3CCCC3)c1)=NO2,1,0,0,0
COc1ccc(CN2C[C@@H](C(C)C)N(c3ccn4ncc(-c5ccc(-c6ncc[nH]6)cc5)c4n3)C2=O)cc1,0,0,0,0
O=C(c1ccc(Cl)cc1)n1c(NCc2ccccc2)n[nH]c1=S,0,0,0,0
c1ccc2c(C[C@@H](COc3cncc(-c4ccc5nonc5c4)c3)Nc3ccc4nonc4c3)c[nH]c2c1,0,0,0,0
C(=N/N1CCOCC1)\c1cn(-c2ccccc2)nc1-c1ccccc1,0,1,0,0
Cc1ccc(Cn2cccc(NS(C)(=O)=O)c2=O)cc1,0,0,0,0
Oc1ccc2[nH]cc(CCC3CCNCC3)c2c1,0,0,0,0
CC1C(=O)CC(=O)C2C1(C)CCC1C23CCC2(C)C4CC(C)(C)CCC4(C)CCC12COC3C,0,0,0,0
Cc1nnc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(C(F)(F)F)c3)C2=O)o1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)/C(C#N)=C(\C)N)c1,1,0,0,0
CCN(CC)CCCOc1ccc(-n2c(C)nc3ccccc3c2=O)cc1,0,0,0,0
CCc1cc2c(C)cc(=O)oc2cc1OC(=O)C1CCCN1C(=O)OC(C)(C)C,1,0,0,0
O=C(c1ccc(OC2CCN(CCO)CC2)cc1)N1CCCC1,0,0,0,0
CCCSc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
N#Cc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
Cc1cccc(C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)c1,0,0,0,0
COc1ccc(-c2sc(-c3ccc(Cl)cc3)nc2O)cc1,0,0,0,0
NC(Cc1cccc2ccccc12)=NOC(=O)c1ccccc1F,0,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCC(CO[N+](=O)[O-])C2)C(=O)N1,0,0,0,0
C=C(/C=C/C)C1=C(C)CCCC1(C)C,0,0,1,0
Nc1ncnc2c1sc1cc(-c3cccc(CO)c3)ccc12,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3c(Cl)cccc3Cl)CC4)cn2)CC1,0,0,0,0
O=C(O)CCCCC1SCC2NC(=O)NC21,0,0,0,0
O=C1CCc2ccc(OCCCCN3CCC(c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)CC3)cc2N1,0,0,0,0
CCCCC(CCC(=O)Nc1nccs1)C(=O)O,0,0,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Br)cc1,1,0,0,0
CCc1cccc(CC)c1NC(=S)NCc1ccc2[nH]c(C)cc2c1,1,0,0,0
CC(=O)n1ccc2cc(-n3c(-c4cc(C(C)C)c(O)cc4O)n[nH]c3=O)ccc21,0,0,0,0
COc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1,0,0,0,1
Cc1ccc(CN(C(=O)c2c(F)cccc2F)C2CC(C)(C)NC(C)(C)C2)o1,0,0,0,0
O=[N+]([O-])c1cccc(-c2ccc3[nH]c(=S)n(Cc4ccccc4)c3c2)c1,0,0,0,0
CSc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1,0,0,0,0
CC(C)C1NC2(C(=O)Nc3ccccc32)C2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)C12,0,0,0,0
C=CCOc1c(CNc2nnc[nH]2)cccc1OC,0,0,0,0
CCCC1(C)SC(=NC23CC4CC(CC2C4)C3)NC1=O,0,0,0,0
Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,0,0,0,0
CCC(O)(c1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
CN1CCN(c2ccc(C(c3nnnn3Cc3ccccc3)N3CCCN(C4CCC4)CC3)cc2)CC1,0,0,0,0
Cc1nnc2ccc(N3CCC(C(N)=O)(N4CCCCC4)CC3)nn12,1,0,0,0
Cc1ccc(C2=NC(=O)/C(=C/C34CC5CC(CC(C5)C3)C4)S2)cc1,0,0,0,0
CN(C)C1CCC(Nc2nc(Nc3ccccc3)nc3[nH]ccc23)CC1,0,0,0,0
CN(C)c1nc(-c2ccccc2C(F)(F)F)nc2ccccc12,0,0,0,0
COc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1,0,0,0,0
C[C@H](O)[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
CC(O)C(=O)N1CCC(C)(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CC1,0,0,0,0
N#Cc1ccccc1CSc1nc(=O)cc(O)[nH]1,0,0,0,0
Cc1ccc(NC(=O)CN2C(=O)/C(=N\NC(=O)c3cc4ccccc4cc3O)c3ccccc32)cc1,1,0,0,0
Cc1nn(-c2ccccc2)cc1CN1CCC2(CC1)OCc1ccccc12,0,0,0,0
COc1ccc(SC[C@@H]2CCCC[C@H]2C(=O)NCC#N)cc1,0,0,0,0
CCS(=O)(=O)c1ccc2c(c1)NC(=O)C(CCO)O2,0,0,1,0
COc1ccc(N2CCN(C(=O)c3ccc(OCC4CCCO4)cc3)CC2)cc1,1,0,0,0
O=c1c([N+](=O)[O-])c(NCCN2CCCCCC2)c2ccccc2n1-c1ccccc1,0,0,0,0
CCN(CCCNC(=O)Cn1cc2c(n1)CCCC2)c1cccc(C)c1,1,0,0,0
CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc(C)cc1,1,0,0,0
CC(C)=CCn1c(N2CCC[C@@H](N)C2)nc2c1c(=O)n(Cc1nccc3ccccc13)c(=O)n2C,0,0,0,0
O=C1CCN(Cc2ccccc2)CCN1C(CO)c1ccccc1,0,0,0,0
N#CCC(=O)Nn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)CC(O)C(O)C(O)CC1,0,0,0,0
COc1cc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc(OC)c1OC,1,0,0,0
Cc1ccc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)nc1,0,0,0,0
CCOc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OCC,0,0,0,0
CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCC#N)c2n1,0,0,0,0
COP(=O)(OC)C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1,0,0,0,0
COc1ccc(OC)c(/C=N/Nc2nncn2/N=C/c2cc(OC)ccc2OC)c1,0,1,0,0
COCc1cc(C)nc(NCCc2ccccc2)c1C#N,1,0,0,0
Cc1[nH]c2ccccc2c1C(c1ccccn1)N1CCCC1,0,0,0,0
COc1ccc(-c2csc(=Nc3c(C)n(C)n(-c4ccccc4)c3=O)n2C(C)(C)C)cc1,0,0,0,0
COc1ccc(N2CCC(c3ccc(OC)c(OCCN4CCCCC4)c3)C2=O)cc1F,0,0,0,0
COc1cccc(OCC(O)CN2CCN(c3ncccn3)CC2)c1,0,0,0,0
CCCCN(CCCC)CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
Cc1ccccc1CN1C(=O)c2ccccc2Sc2ccc(C(=O)NC(C)c3ccccc3)cc21,1,0,0,0
CC(C)C(C(=O)N1CCN(C(=O)OC(C)(C)C)CC1)n1cc(-c2cn(C(C)C(=O)N3CCN(C(=O)OC(C)(C)C)CC3)nn2)nn1,1,0,0,0
C/C(CCN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCCCN1CCOCC1,0,0,0,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(CCO)CC4)ccc3OCC)nc12,0,0,0,0
Cc1nc(N)nc(-c2cccnc2Nc2ccc3oc(C)nc3c2)n1,0,0,0,0
O=S(=O)(NCCCSc1ccccc1)c1ccccc1F,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2F)cc1,0,0,0,0
NNC(=O)c1cc2c(N3CCC(Cc4ccccc4)CC3)ncnc2s1,0,0,0,0
CCc1sc(NC(=O)CN2CCC(C(N)=O)CC2)nc1-c1ccccc1,1,0,0,0
CC[C@@H](Nc1c(Nc2cc(C)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1,0,0,0,0
CCOC(=O)CN1C(=O)N[C@@H](c2ccccc2)C(C(C)=O)=C1C,0,0,0,0
CC(=O)N1CCN=C1SCc1ccc(F)cc1,0,0,0,0
O=C1CN(C(=O)COc2ccc(Br)cc2Br)c2ccccc2N1,0,0,0,0
Cc1c(Cl)cccc1Nc1nc(NCCO)c2ccccc2n1.Cl,0,1,0,0
Cc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1C,0,0,0,0
COc1ccc(CNC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC,1,0,0,0
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)cc1,1,0,0,0
[C-]#[N+][C@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccccc2)n1,0,0,0,0
CCc1ccc(-n2nnc(-c3nc(-c4ccc(C)cc4)no3)c2N)cc1,0,0,0,0
OC(CNCCNc1ncccc1C(F)(F)F)COc1ccc(F)cc1,0,0,0,0
COC(=O)N[C@H]1CCC[C@@H]1[C@](CN(C)C)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CN(C(=O)/C=C/CN(C)C)C4)cc3)C2)CC1,0,0,1,0
O=C(Nc1c(C(=O)N2CCN(c3ccccn3)CC2)oc2ccccc12)c1ccc([N+](=O)[O-])cc1,0,1,0,0
Cc1cccc(C(C#N)c2nc3ccccc3nc2C(F)(F)F)c1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(C(=O)N(C)C)CC1,0,0,0,0
Nc1nc(OC(c2ccc3ccccc3c2)C(F)(F)F)nc(-c2ccc(C[C@H](N)C(=O)O)cc2)n1,0,0,0,0
CNCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,0,0,0,0
COc1ccc(-c2cnc3c(N(C)C)snc3c2)cc1OC,0,0,0,0
Cc1cnc(Nc2cccc3[nH]ncc23)c(-c2nc(C)nc(N)n2)c1,0,0,0,0
COc1ccc(Cn2c(CCC(=O)NCCC(C)C)nc3ncccc3c2=O)cc1,0,0,0,0
Cc1ccc(-c2ccc(C(=O)O)c(NS(=O)(=O)c3ccc(OCCCN4CCOCC4)cc3)c2)c2ccccc12,0,0,0,0
CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2ccc(C(=O)C34CC5CC(CC(C5)C3)C4)c(C(=O)O)c2)nc1,0,0,0,0
CC(C)n1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21,1,0,0,0
CCCCOC(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1,0,0,0,0
O=C(O)c1nc2ccccc2n(C2C[C@H]3CCC[C@@H](C2)N3CCC2CCCCC2)c1=O,0,0,0,0
CNS(=O)(=O)c1ccc(OC(F)(F)F)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
CC(C)Oc1nc(-c2ccc(Cl)nc2)nc2c1CN(C(=O)c1cn(C)cn1)CC2,0,0,0,0
CCC(C)C(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
COCCn1nnnc1CN1CCC(Cc2ccccc2)CC1,1,0,0,0
COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccco2)cc1,0,0,0,0
COc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Br)cccc45)nc3c2)c1,1,0,0,0
N#Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
C[C@@H]1CN(CCCc2ccccc2)[C@H]2C[C@H](N(C)C)C[C@]1(c1cccc(O)c1)C2,0,0,0,0
Cc1cc(C)n(CC(=O)N2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)CC3)C2)n1,1,0,0,0
CC1CC/C(=N\Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)C1,0,0,0,0
CN1CCCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1,0,0,0,0
COC(=O)COc1ccc2cccc(-n3cnnn3)c2c1,0,0,0,0
CC(C)CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0,1,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccccc3)cs2)n1)C(=O)O,0,0,0,0
CCOC(=O)/C=C/c1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1,0,0,1,0
COc1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3,0,1,0,0
CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2cccc(O)c2)c1,0,0,0,0
CNC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1,0,0,0,0
CCCCCCC(c1c(C)n(C)n(-c2ccccc2)c1=O)c1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
CCN(CC)CCNC(=O)c1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
COc1ccc(CN2CCC(N3CC(CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)c(Cl)c1OC,0,0,0,0
O=c1[nH]c2ccc(N[C@H](COc3cncc(-c4ccc5[nH]c(=O)[nH]c5c4)c3)Cc3c[nH]c4ccccc34)cc2[nH]1,0,0,0,0
C[C@@H](Oc1nnc(-c2cn[nH]c(=O)c2)n1C)c1cc(-c2cccc(Cl)c2)on1,0,0,0,0
CCNC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0,0,0,0
CN(C)CCOCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1,0,0,0,0
Cc1cc(C2CC2)c(C(C)(O)c2nc3ncc(C#N)cc3[nH]2)c2cc[nH]c12,0,0,0,0
O=C(Nc1ccc(F)cc1)Nc1cccnc1,0,1,0,0
COc1cccc(Sc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)c1,0,0,0,0
Oc1ccc(C2NCc3ccccc3-n3cccc32)cc1Cl,0,0,0,0
Cc1ccc2nc(Cl)c3cc(C(=O)NCCCN4CCCC4)sc3c2c1,1,0,0,0
CCCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1,0,0,0,0
O=C(O)CC(Cc1csc(CCCc2ccc3c(n2)NCCC3)n1)c1cnc(-c2ccccc2)s1,0,0,0,0
COCc1cc(C)nc(SCC[N+](C)(C)CC(=O)Nc2cccc(C(F)(F)F)c2)c1C#N,1,0,0,0
Cc1cc([C@H](Nc2ccc(Cl)c(CN3CCC(C(=O)O)C3)c2)C(F)(F)F)ccc1Cl,0,0,0,0
Cc1ccc(OCCCN2C(=O)C(=O)c3cccc(C)c32)cc1,1,1,0,0
O=S(=O)(NN=CC=Cc1ccccc1)c1ccc(Cl)cc1,0,0,0,0
CN(C)c1ccc(CN2CCC(N3CC(CC#N)(n4cc(-c5ncnc6[nH]ccc56)cn4)C3)CC2)c(F)c1C#N,0,0,0,0
Cc1c(-c2ccc(O)cc2)[nH]c2nccnc12,0,0,0,1
COCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,1,1,0,0
C=C(C)COc1ccc(-c2[nH]ncc2-c2ccccc2)c(O)c1,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3ccc(OC)c(OC)c3OC)c2C(=O)Nc2ccc(OC)cc2OC)C1,0,1,0,0
Cc1nc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(C(=O)CO)CC5)c34)c(Cl)c2)ncc1F,0,0,0,0
COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC,0,0,0,0
FC(F)(F)c1ccc(Cl)c(NC(=S)N/N=C/c2ccccc2C(F)(F)F)c1,0,0,0,0
COCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,0,0,0,0
C[C@H]1CO[C@@H]2Cn3cc(C(=O)NCc4ccc(F)cc4F)c(=O)c(O)c3C(=O)N12,0,0,0,0
Cc1ccc2c(c1)c1ncnc(N3CCOCC3)c1n2C,1,1,0,0
CCOC(=O)C1=C(CSc2nc(-c3ccccc3)ccc2C#N)OC(N)=C(C#N)C1c1cccnc1,1,0,0,0
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,0,0,0,0
Cc1cc(OCC(=O)OC(C)C)c2c3c(c(=O)oc2c1)CCCC3,1,0,0,0
Cc1nc(-c2cccc(S(=O)(=O)N3CC(C)CC(C)C3)c2)cs1,0,0,0,0
COc1ccc(CN2CCNC(=O)C2CC(=O)NC2Cc3ccccc3C2)c(OC)c1,1,0,0,0
Cn1nc(N2CCCC2)nc1CCc1nc2ccc(C#N)cn2n1,0,0,0,0
CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(OCC)cc3)C(=O)C21,1,0,0,0
C=CCNC(S)=NN=Cc1cn(-c2ccccc2)nc1-c1ccc(OC)cc1,1,0,0,0
C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N1CCC[C@H]1C(=O)O,0,0,0,0
CS(=O)(=O)c1cc(F)cc2c1c(C(=O)c1ccc(Cl)cc1)c1n2CCCC1CC(=O)O,0,0,0,0
COC(=O)c1ccccc1C(=O)N1CC(O)CO1,0,0,0,0
Oc1ccccc1C=Nn1c(-c2cccs2)n[nH]c1=S,0,0,0,0
C[C@@H]1CN([C@@H](C)CO)C(=O)CCCn2cc(nn2)CO[C@H]1CN(C)S(=O)(=O)c1ccc2ccccc2c1,0,0,0,0
CCSc1nnc2n(-c3ccc(OC)cc3)c(=O)c3c4c(sc3n12)CCCC4,0,0,0,0
O=C1Nc2cccc(Cl)c2/C1=C\C(=O)c1cccc(Cl)c1,0,0,0,0
Cc1csc2nc(CCNS(=O)(=O)c3ccccc3)cn12,0,0,0,0
O=C1c2ccccc2CN2C(=O)c3ccccc3CN12,0,0,0,0
O=C(/C=C/c1cccn(Cc2ccccc2Br)c1=O)NO,0,0,0,1
COC(=O)c1cnc2c(c1C(=O)OC)c(=O)n(C)c(=O)n2C,0,0,0,0
COc1cc(OCc2cc(F)cc(-c3cnc(OC)nc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3nc(C)n(C5CCN(CCO)CC5)c34)c(Cl)c2)n1,0,0,0,0
C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)n1)C(=O)O,0,0,0,0
C[C@H](Nc1nc(Cl)cc(N2CCOC2=O)n1)c1ccc(-c2cnn(C)c2)cc1,0,0,0,0
CCNC(=O)c1nnn(-c2cc(C(C)C)c(O)cc2O)c1-c1ccc(CN2CCCCC2CCO)cc1,0,0,0,0
CC(=O)NC1C(=O)Nc2c1cccc2C(F)(F)F,0,0,0,0
CCN1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)NC1=O,0,0,0,0
O=C(Nc1ccc2c(c1)CCC2)c1c(F)cccc1Cl,0,1,0,0
COc1cncc(CN[C@H]2CC2c2ccccc2)c1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ncccn2)cc1,0,0,0,0
CN(C)c1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1,0,0,0,0
NS(=O)(=O)c1nc2ccc(OC(=O)C3CCCCC3)cc2s1,0,0,0,0
CCCC(C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)C1CCCC1,1,0,0,0
CCC(CC)(COc1cc(C)c(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(Cl)c2)cn1)C(=O)O,0,0,0,0
COc1c(O)c(=O)n2c3ccccc3c3ccnc1c32,0,0,0,0
Cc1cc(C(F)(F)F)c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1,0,0,0,0
COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3ccccc3C)cc2c1,0,0,0,0
Cc1ccc(C(C)C)c(OCc2ccc(C(=O)N/N=C/c3cccc(O)c3O)cc2)c1,1,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccccc1F)NC2,1,0,0,0
O=C(O)c1ccccc1SCC(=O)N1CCc2ccccc21,0,1,0,0
Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1,0,0,0,0
NC(=O)C1(c2cccc(CCc3nc(Nc4cnn(C5CCNCC5)c4)ncc3C(F)(F)F)c2)CC1,0,0,0,0
CC1CCN(CCOc2cccc(Br)c2)CC1,0,0,0,0
CCOc1ccc(N2C(=O)c3cccnc3C2=O)cc1,0,0,0,0
Nc1nc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)cc(C2CCCNC2)n1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)CC1,1,0,0,0
COc1cc2c3c(-c4ccc(O)cc4)c[nH]c(=O)c3n(C)c2cc1OC,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2nccs2)cc1,0,0,0,0
S=c1[nH]nc(-c2cccs2)n1/N=C/c1cn(-c2ccccc2)nc1-c1cccs1,0,1,0,0
O=[N+]([O-])c1ccc(-n2nc(-c3ccccc3)cc2O)cc1,1,0,0,0
Cc1ccc(Oc2ccc(S(=O)(=O)Nc3ccc(C(=O)O)cc3)cc2)cc1,0,0,0,0
CNC(=O)/C=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
Cc1c(CC2=NN(Cc3ccccc3)C(=O)CC2)c2cc(F)ccc2n1CC(=O)O,0,0,0,0
CC1c2cccc(C(N)=O)c2C(=O)N1C1CCN(CC2CC=CCC2)CC1,0,0,0,0
Cc1cc(C(F)(F)F)nc(SCCN2CCOCC2)c1C#N,0,0,0,0
Cc1ccc(OCc2cc(C(=O)N3CCN(c4ccccc4)CC3)no2)cc1C,0,1,0,0
OCc1cccc([C@H]2C[C@@H]3CC[C@H]2N3)c1,0,0,0,0
CCNC(=O)n1cc(-n2cncn2)c(-c2ccccc2)n1,0,0,0,0
O=C(O)c1cc(Cc2ccc(O)cc2)n(-c2ccc(Cl)c(Cl)c2)n1,0,0,0,0
Cc1cc(NC(=O)CC(C)(C)C)nc2c1c(=O)oc1ccccc12,0,0,0,0
COC(=O)c1scc(C)c1-n1ccc(C(=O)C(=O)N(C)C)c1,0,0,0,0
NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1,0,0,0,0
CCOCCN(C[C@@H](O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,0,0,0,0
CCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
COc1cccc(-c2csc(NN=C3CCCC3)n2)c1,0,0,0,0
Cc1ccc(/C(O)=C/C=N/c2ccc([N+](=O)[O-])cc2Br)cc1,1,0,0,0
CO[C@@H](C)C(=O)N1Cc2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CC1C,0,0,0,0
O=c1onc(-c2ccc(Cl)cc2)n1Cc1ccc(F)cc1,0,0,0,0
COC(=O)[C@H](c1ccccc1)[C@H]1CCCCN1,0,0,0,0
CC1(C)CCC(n2cnc(C(Cc3ccc(N)nc3)C(=O)O)c2)CC1,0,0,0,0
Cc1c(C)c2ccc(OCc3ccc(C#N)cc3)cc2oc1=O,0,0,0,0
Cc1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cc2C(N)=O)nc1,0,0,0,0
CN1C(=O)N(CC(COc2ccc(-c3ccc(C#N)cc3)cc2)N(O)C=O)C(=O)C1(C)C,0,0,0,0
COc1cc(C2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2CCCO)ccc1OCCC(C)C,1,0,0,0
COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)C3CCCCC3)nc12,1,0,0,0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=N)NOC(=O)N(C)C,0,0,0,0
CCCCNS(=O)(=O)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,0,0,0,0
N#Cc1cc(-c2ccccc2)nnc1Sc1ccc(F)cc1,0,0,0,0
CC(=O)c1cccc(CN2CCN(CCc3ccccc3)C(CCO)C2)c1,0,0,0,0
Oc1cccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCNC3CCCCCC3)cc2)c1,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)CC1,1,0,0,0
O=[N+]([O-])c1cccc(-c2nnc3ccccn23)c1,0,0,0,0
Cn1c2ccccc2c2cc(C=NNC(=O)c3cc(O)ccc3O)ccc21,0,0,0,1
Cc1cc(=O)n2nc(N3CCC(C(=O)NCCc4ccc(Cl)cc4)CC3)sc2n1,1,0,0,0
CC(C)(C)NC(=O)C1CCN(C(=O)c2ccco2)CC1,0,0,0,0
O=C(O)C=CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
Cc1cc(C)n(CCc2nc(-c3ccc(C(C)(C)C)cc3)cs2)n1,1,0,0,0
Cn1ncc2ccc(-c3cc(OCc4ncccc4C(N)=O)c4cccnc4c3)cc21,0,0,0,0
O=C1CC(c2ccccc2)CN1C(=O)c1cccnc1,0,0,0,0
COc1ccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)c(OC)c1,1,0,0,0
c1ccc(Cc2nnc(N3CCCCC3)c3ccccc23)cc1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CCC#N)c2ccc(C)cc2)c1C,1,0,0,0
Fc1ccc(NC(=S)N/N=C/c2ccc(F)c(F)c2)cc1,0,0,0,0
COCCN1C(=O)NC(c2ccccc2)C(C(C)=O)=C1C,0,0,0,0
CN(C)c1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1,0,0,0,0
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)c(C)o1,0,0,0,0
O=C(CCN1C(=O)C(=Cc2cccc(Br)c2)SC1=S)NCCCN1CCOCC1,1,0,0,0
C=CCN1C(=O)C(=CNc2ccccc2)SC1=S,0,0,0,0
CSCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
C=C(C)COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(Cl)c(Cl)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
COc1cc2oc(-c3ccc(CN4CCCC4)cc3)cc(=O)c2cc1OC,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(CCCBr)cc4CC[C@H]3[C@@H]1C[C@H](Cc1cccc(C(N)=O)c1)[C@@H]2O,0,0,1,0
CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(Cl)cc4)n[nH]c2-3)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ncnc3sccc23)cc1C,0,0,0,0
O=C(NCc1ccccc1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)cc2c1=O,1,0,0,0
O=C(Nc1cnc2ccccc2c1)c1ccco1,0,1,0,0
C[C@H](NS(=O)(=O)CCc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(C#N)c1,0,0,0,0
COc1cccc(CN2CCN(Cc3ccc(O)cc3)CC2CCO)c1,0,0,0,0
CNC(=S)NNC(=O)c1oc2nc(-c3ccccc3)cc(C)c2c1N,0,0,0,0
Cc1nc(N[C@@H](C)c2cccc(-c3ccccc3)c2)cc(-c2ccc3occ(C)c3c2)n1,0,0,0,0
Oc1c(CN2CCOCC2)ccc2ccccc12,0,0,0,0
Cc1ccc2[nH]c3c(=O)n(N)c(C)nc3c2c1,0,0,0,0
COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c(OC)c1,0,1,0,0
Cc1noc2ncnc(Oc3cc(Cl)ccc3Cl)c12,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cnc(OC(F)F)c(Cl)c1,0,0,0,0
Clc1ccc(-c2ccc(-c3nccn3-c3ccc(C4CCNCC4)cc3)o2)cc1,0,0,0,0
Cc1ccc(-c2cc(N)n(-c3ccc(C)cc3)n2)cc1,0,1,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3ccc(F)c(F)c3)C(=O)C(=O)O)ccc21,0,0,0,0
CCCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N)=NC2=O)cc1C,0,0,0,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2cccc(OC3CCCCC3)c2)n1,0,0,0,0
CN1C(=O)/C(=C/c2ccc3c(c2)OCO3)NC1=NC1CCCC1,0,0,0,0
CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccccn4)CC3)ccc21,1,0,0,0
CC1COc2ccccc2CCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC(=O)[C@@H](C)N(C)C(=O)[C@H](C2CC2)N1,0,0,0,0
CN1CCCN=C1COC(=O)C(O)(c1ccccc1)C1CCCCC1,0,0,0,0
Cc1cc(Nc2c(-c3ncccn3)oc3cnccc23)c2cn[nH]c2c1Cl,0,0,0,0
Cc1cc(NC(=O)c2sccc2C)n(-c2cccc(Cl)c2)n1,0,1,0,0
O=C(NCC1c2ccccc2CCN1C(=O)CN1CCOCC1)C1CCCCC1,1,0,0,0
Clc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1Cl,0,0,0,0
O=C(O)C=CC(=O)Nc1ccc(N2CCN(c3cccc(Cl)c3)CC2)cc1,0,0,0,0
Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C,0,1,0,0
COCCN(CCOC)c1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
CC(=O)Nc1cccc(O[C@H]2c3ccccc3C[C@@H]2N2CCC[C@@H](N)C2)c1,0,0,0,0
O=C(NC1CCCC1)C(c1c[nH]c2ccccc12)N(C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1,1,0,0,0
COc1nn2cc(-c3nc4cc(C)c(C)cc4o3)nc2s1,0,0,0,0
Cc1cc(C)n2cc(CSc3nnnn3C)nc2n1,0,0,0,0
COc1ccccc1C(=O)Oc1c(Sc2ccccc2)c(C)nn1C(C)(C)C,0,0,0,0
Cc1ccc(C2CC(=O)N(Cc3ccc(F)cc3)c3c2c(C)nn3-c2nc(C)cc(C)n2)cc1,1,0,0,0
O=S(=O)(c1ccc(Br)cc1)c1nnn2c1nc(NCCc1ccccc1)c1sccc12,0,0,0,0
Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1cccc(O)c1,0,1,0,0
O=c1c2c(nc3cc(-c4ccc(F)cc4)[nH]n13)CCC2,0,1,0,0
COc1ccc2[nH]c(-c3ccccc3)c(CCNC(C)=O)c2n1,0,0,0,0
COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(F)cc1,1,0,0,0
O=C1OC2(O)C3C4C=CC(C4)C3C(=O)N2c2ccccc21,0,0,0,0
CCc1ncccc1Oc1cc(CCCOC)cnc1NC(=O)NC,0,0,0,0
CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(Cl)cc4Cl)C3)n2)c1,0,0,0,0
CC(C)Sc1nc(-c2ccnc(NC3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
Cc1ccnc(NC(=O)CNC(=O)Cc2cccc3ccccc23)c1,0,1,0,0
CCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,0,0,0,0
O=S(=O)(c1ccccc1)c1ccc2c(c1)CCCC2CNc1ncccn1,0,0,0,0
O=S(=O)(c1ccccc1)c1ccc(N2CCCCCC2)cc1,0,0,0,0
CC(C)C(=O)Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1,0,0,0,0
CCOc1ccc2ccccc2c1/C=N/NC(=O)c1ccc2c(c1)OCO2,0,1,0,0
N=C(N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)c1,0,0,0,1
COc1ccccc1NC(=O)CN1CCN(c2ccccc2OC)CC1,1,0,0,0
c1ccc(-c2[nH]ncc2-c2ccnc(-c3ccc(OCCn4ccnc4)cc3)c2)nc1,0,0,0,0
CC1=C(C(=O)N(C)C)C(c2ccc(C)s2)NC(=S)N1,0,0,0,0
COCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccccc2)C1=O,0,0,0,0
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCOCC3)c3ccccc3c2=O)c(OC)c1,0,1,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(C(=O)O)ccc2OC(F)F)c1,0,0,0,0
Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCC(N6CC(O)C6)CC5)cc4c3)n2)c1,0,0,0,0
O=C1CCCC(c2cccc3c2OCCO3)N1Cc1cccc(-c2ccccc2)c1,0,0,0,0
CCOC(=O)Nc1sc2c(c1C#N)CCCC2,0,1,0,0
Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3ccccc3C4C(C)(C)O)nc12,0,0,0,0
COc1ccc(Nc2nc(C)c(-c3ccccc3)s2)cc1,0,1,0,0
CCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1,0,0,0,0
C=CS(=O)(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1,0,0,1,0
O=C(Nc1cccc(NC(=O)c2ccccc2)n1)c1ccccc1,0,1,0,0
Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(NC(C)C)n1,0,0,0,0
CCCCCCCCCCCCCCCC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,0,0,0,0
Cc1c(Cl)nc(Cl)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C)cc3)n2)cc1,0,0,0,0
Clc1ccc(-c2cc(-c3cccc(Br)c3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
COc1ccccc1N1CCN(C(=O)NCc2ccc(Cl)cc2)CC1,1,0,0,0
Cc1ccc(C(O)P(=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1,1,0,0,0
CCCCCNC(=O)NCCCC/C=C\CCCCCCCc1nn[nH]n1,0,0,0,0
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(CN(C)CCO)c1,0,0,0,0
Cn1c(=O)c2c(ncn2CCCN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)n(C)c1=O,0,0,0,1
CCOC(=O)C1=C(C)C(c2ccc(OC)cc2)NC(=O)N1,0,0,0,0
Cc1nnc2c(NC(C)C)cc(-c3cn(C)nc3Cc3ccccc3)nn12,0,0,0,0
COc1ccc(C(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1,0,0,0,0
CC(C)Cn1c(-c2ccc(Br)o2)n[nH]c1=S,0,0,0,0
Nn1c(CCCCN2CCN(c3nc4ccccc4c4c3CCCC4)CC2)nc2c(c1=O)CCCC2,0,0,0,0
COc1ccc(NCC(=O)N/N=C(\C)c2cc3ccccc3o2)cc1,0,1,0,0
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)C1C=NN2C1=NC(c1cccs1)CC2C(F)(F)F,1,0,0,0
CCCCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4,0,0,0,0
COc1cc2c(cc1OC)CN(C(=O)c1cc(C3CC3)nn1-c1ccccc1)CC2,1,0,0,0
COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)oc3ccccc23)cc1F,0,0,0,0
CN(C)/N=C/c1ccc(N2CCOCC2)cc1,0,1,0,0
Cc1ccc(-n2c(-c3ccco3)n[nH]c2=S)cc1,0,0,0,0
CCCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O,0,0,0,0
Cc1c2c(n3c1CC(=O)N(C(C)C)CC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,0,0,0,0
CC(c1ccccc1)c1nnc(N)s1,0,0,0,0
COC(=O)C1C(=O)OC(C)(C)C1C(C)C(=O)c1ccc(C)cc1C,0,0,0,0
CCCNC(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1,0,0,0,0
NC(=O)c1cc(-c2ccccc2)cc(-c2ccc(S(=O)(=O)NNCCCN3CCOCC3)cc2)c1N,0,0,0,0
OCCC1CN(Cc2cccn2-c2nccs2)CCN1CCc1ccccc1,0,0,0,0
CC1CCCCN1Cc1cccnc1,0,0,0,0
CCNC(=O)O[C@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CC(C)CN(CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O)CC(C)C,0,0,0,0
COc1ccc2c(c1)c1c(-c3ccc(O)cc3)c[nH]c(=O)c1n2C,0,0,0,0
CC(C)C(CC(=O)OCC1(CO)C/C(=C\c2cccc(O)c2)C(=O)O1)C(C)C,0,0,0,0
N=C(N)c1cccc(OCCN2Cc3cc(-c4ccccc4S(N)(=O)=O)ccc3C2=O)c1,0,0,0,0
Cn1nccc1S(=O)(=O)N[C@@H]1C[C@H](NC#N)c2cc(-c3ncnc4[nH]ccc34)ccc21,0,0,1,0
CC(C)Oc1cc2c(-c3cc(N4CCN(C)C(=O)C4)ncn3)n[nH]c2cc1F,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(C(F)(F)F)cc1,0,0,0,0
COC[C@@H]1CCCN1CCc1c[nH]c2ccc(-c3cccs3)cc12,0,0,0,0
N#Cc1ccccc1-c1cc(-c2ccccn2)cn(-c2ccccc2)c1=O,0,0,0,0
O=C(O)Cc1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1,0,0,0,0
C=CS(=O)(=O)Nc1ccc(C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NC(CCCCn2cc(CNC(=O)[C@H](Cc3c[nH]c4ccccc34)NC3C(=O)c4ccccc4C(=O)C3Cl)nn2)C(=O)O)cc1,0,0,1,0
Cc1ccc(N2C(=O)NC(=O)C3(Cc4ccccc4N4CCN(c5ccccc5)CC43)C2=O)cc1,1,0,0,0
N#CCC(=O)N1CCN(c2cccc3c2ccn3-c2ccnc(NC3CCC(CN4CC[C@@H](O)C4)CC3)n2)CC1,0,0,0,0
CN(C)CCN(C)C(=O)c1ccc(C2=NN(c3ccc(C#N)cc3)C(c3ccc(F)cc3)C2)cc1,0,0,0,0
CC1=CC(=O)CC(C)(CO)C1(O)C=CC(C)OC1OC(CO)C(O)C(O)C1O,0,0,1,0
CC(=NNC(=S)Nc1cccc(C)c1)c1cccc(N)c1,0,0,0,0
CCOC(=O)c1c(Cl)c(C)nn1-c1nc(OC)cc(OC)n1,0,0,0,0
CC(C)(C)C(=O)Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1,0,0,0,0
CCn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21,1,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)c1ccc(F)cc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1,0,0,1,0
COc1ccc(N2Cc3cccc(C(=O)Nc4cc(C)cc(C)c4)c3C2=O)cc1,0,0,0,1
Oc1c(C(c2ccc(F)cc2)N2CCCCC2)ccc2nccnc12,0,0,1,0
O=C(c1cc(Cc2c[nH]c(=O)c3c(Cl)c(Cl)cn23)ccc1F)N1CCCNCC1,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(F)c2)n1,0,0,0,0
N#Cc1c[nH]n2c(NC3CCCC3)c(-c3ccc(Br)cc3)nc12,1,0,0,0
Cc1cn(CC(C)(COP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2OP(=O)(O)OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(N)nc43)[C@H](O)[C@@H]2O)COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2COP(=O)(O)O[C@H]2[C@@H](O)[C@H](n3cnc4c(=O)[nH]c(N)nc43)O[C@@H]2CO)c(=O)[nH]c1=O,0,0,0,0
COc1ccc(-c2c(-c3ccc(O)cc3O)n[nH]c2C)cc1OC,0,0,0,0
COc1cccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)n1,0,0,0,0
Nc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
CCn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1C(C)NC(=O)c1ccc(C)cc1,1,0,0,0
CC(C)(C)NC(=O)c1c[nH]c2ncc(-c3nn(CCCN4CCOCC4)c4ccc(OC(F)F)cc34)nc12,0,0,0,0
CC(=O)Nc1nc2ccc(S(=O)(=O)N3CCCC3)cc2s1,0,0,0,0
CCc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@](C)(c3ccc(OCCCC(F)(F)F)cc3)C2)cc1,0,0,0,0
CCCCOC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0,0,0
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc2)no1,1,0,0,0
CC1CCC(C(C)C)C(OC(=O)c2ccccc2)C1,0,0,0,0
O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)[nH]n1,1,0,0,0
COC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C,0,0,0,0
CNS(=O)(=O)c1ccc(F)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
C/C=C/c1ccc(OCCCCOc2ccccc2F)c(OC)c1,0,0,0,0
CC(CN1CCCCC1)OC(=O)c1ccc2c(c1)OCCO2,0,0,0,0
C[C@H]1CN2CC(=O)Nc3ccc(cc3)C[C@@H](NS(=O)(=O)Cc3ccccc3)C(=O)N[C@H](C(=O)NCc3ccc(C(=N)N)cc3)Cc3ccc(cc3)NC(=O)CN1C[C@@H]2C,0,0,0,0
O=C1NC(=O)N(c2cccc3ccccc23)C(=O)C1C=NN1CCCCCC1,0,0,0,0
CC(=O)c1ccc(NC(=O)C2=CC(c3ccc(C)cc3)=NS(=O)(=O)N2C)cc1,1,0,0,0
CC(C)NC(=O)C1N2C(=O)c3ccccc3C2SC1(C)C,0,0,0,0
O=S(=O)(Nc1cc(Cl)ccc1Cn1ccnn1)c1ccc(Cl)s1,0,0,0,0
O=c1[nH]c(CCl)nc2cc(-c3ccc(F)cc3)sc12,0,1,0,0
O=C(O)C1CCC(=O)N1C1c2ccccc2Oc2ccccc21,0,0,0,0
Cc1ccccc1NC(=S)N/N=C/C(C)c1ccccc1,0,0,0,0
COC(=O)c1ccc(OCC2c3cc(OC)c(OC)cc3CCN2C(=O)C2CC2)cc1,1,0,0,0
CCOc1ccc(N(C)S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1,1,0,0,0
O=[N+]([O-])c1cc(Cl)ccc1N1CCCC1,0,0,0,0
Cc1cnc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)nc1,0,0,0,0
CCN(CC)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1OC,1,0,0,0
CCCCCc1cc(=O)oc2c(C(CCN3CCCCC3)c3ccc4c(c3)OCO4)c(OC)cc(OC)c12,1,0,0,0
Cc1ccc(C(C)O)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,0,0,0,0
COc1ccc(-c2nc3cnc(OC)nc3n(-c3ccc(OC)cc3)c2=O)cc1,0,0,0,0
NC1(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)CCC1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCN4CCCC4C3)cc2F)cn1,0,0,0,0
CN1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,0,0,0,1
Cc1ccncc1-c1ccc(NS(C)(=O)=O)cc1OCC(F)(F)F,0,0,0,0
CC(=O)N1C[C@H]2CC[C@H](O[C@H](C)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H](c3ccc(F)cc3)[C@@H]2C1,0,0,0,0
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCc2ccccc21,0,0,0,0
Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ocnc2C)n1,0,0,0,0
O=C(Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3)[C@H]1C[C@H]1C(=O)Oc1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CCC1)CC3,0,0,0,0
Cc1nn(-c2ccccc2)nc1C(=O)c1c(C)[nH]n(-c2ccccc2)c1=O,0,0,0,0
Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
O=c1[nH]c(O)c(C=Nc2ccc(CN3CCCCC3)cc2)c2cc(-c3cccnc3)ccc12,0,0,0,0
CC1CCN(C(=O)Oc2ccccc2)CC1,0,0,0,0
CCCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2nc4ccccc4cc2C[C@@]3(O)[C@H]1C5,0,0,0,0
COc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1,0,0,0,0
O=C(c1cnccn1)N1CCC2(CCCN(c3ncccn3)C2)CC1,0,0,0,0
CS(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)C1CCN(c2ccncc2)CC1,0,0,0,0
CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4Cl)cc3c(=O)c2c1,0,0,0,0
O=S(=O)(c1ccc2c(c1)OCO2)N1CCN(c2nnnn2-c2ccccc2)CC1,0,0,0,0
CCOC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)CC)cc21,0,0,0,0
CO[C@H]1C(=O)[C@]2(C)[C@@H](OC)C[C@H]3OC[C@@]3(OC(C)=O)[C@H]2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c3ccccc3)C(C)=C1C2(C)C,0,0,0,0
CCN1C(=O)C(=C2SC(=S)N(CCCOC)C2=O)c2ccccc21,0,0,0,0
CCn1c(C)cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1C,1,0,0,0
CCc1nc(NC(=N)N)nc2ccccc12,0,0,0,0
Cc1cccc(C)c1C(=O)N1CCC(C)(N2CCC(/C(=N\Oc3ccccc3)c3ccc(Br)cc3)CC2)CC1,0,0,0,0
CC1=NCCN1S(=O)(=O)c1cc(Cl)ccc1Cl,0,0,0,0
COc1cccc(CCCNc2cc(Cl)cn3c(=O)[nH]nc23)c1,0,0,0,0
O=C(NCCCN1CCCC1=O)C1CCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)CC1,1,0,0,0
Cc1ccc(S(=O)(=O)Nc2ncnc3sccc23)cc1,0,0,0,0
Cc1c(NC(=O)CCC2CCCCC2)cc(C(=O)N2CCOCC2)cc1[N+](=O)[O-],1,0,0,0
CC(C)c1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,0,0,0,0
CCSc1nc2c([nH]c3ccccc32)c(=O)n1CC,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(OC)c2)cn1,0,0,0,0
COc1ccc(-c2cc(C(=O)N/N=C/c3sccc3C)c3ccccc3n2)c(OC)c1,1,0,0,0
O=c1c2[nH]c3ccc(F)cc3c2ncn1CCN1CCN(Cc2ccccc2)CC1,1,0,0,0
CC1CCc2sc(C(=O)OCC(=O)NC(N)=O)cc2C1,0,0,0,0
CN(c1ccc(C(O)(c2cccn2Cc2ccccc2)C(F)(F)F)cc1)S(=O)(=O)c1ccccc1,0,0,0,0
N#Cc1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3,0,1,0,0
c1ccc2c(c1)CN(C1CCC(c3ccc(OCCCN4CCCCC4)cc3)CC1)C2,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4ncc(Cl)c4C)cc[nH]c3=O)nc12,0,0,0,0
CC(=O)c1cnc(Nc2nc(C)c3cccc(C)c3n2)nc1C,0,0,0,0
CCOC(=O)c1cc(C)nc(N2CCCCC2)c1C#N,0,0,0,0
CCCc1ccc(-c2ccc(=O)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1,0,0,0,0
Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2,1,0,0,0
Cc1cccc(C)c1NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0,0,0
Cc1nc(S(=O)(=O)c2ccc(Br)cc2)nc2c1CCC2,0,0,0,0
O=C1CC(c2ccccc2)Sc2ccccc2N1Cc1ccc(F)cc1,0,0,0,0
O=C(c1ccc(N2CCN(C3CCCC3)CC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12,0,0,0,0
CCN1CCN(c2cccc3c2CN([C@H](CCCNCc2cccs2)c2ccc(OC)c(OC)c2)C3=O)CC1,0,0,0,0
Cc1cc2nc(NC(N)=NC(=O)C(C)C)nc(C)c2cc1C,0,0,0,0
O=C1CSc2cccnc2N1Cc1cccc(OC(F)(F)F)c1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccsc3)CC2)cc1,0,0,0,0
Nc1noc2ccc(-n3nc(C(F)(F)F)cc3C(=O)N3CCc4cc(-c5ccccc5S(N)(=O)=O)ccc43)cc12,0,0,0,0
Cc1cccc(NC(=S)N/N=C/c2cccc([N+](=O)[O-])c2)c1,0,0,0,0
O=C1Nc2cccc(Cl)c2C2(CCCCC2)N1,0,0,0,0
CC1CCN(CC(=O)N2c3ccccc3C(=O)Nc3cccnc32)CC1,0,0,0,0
Cc1cc([N+](=O)[O-])ccc1Nc1nc2ccccc2n2cnnc12,0,0,0,0
CCCCc1nc2ccn(Cc3cccc(Cl)c3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
COC1CCCCC1Nc1cccc(SC)c1,0,0,0,0
CCCSc1nc(O)c(C(c2ccc(OC)c(O)c2)c2c(O)nc(SCCC)n(C)c2=O)c(=O)n1C,0,0,0,0
CCOC(=O)C1CCCN(C(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)C1,1,0,0,0
Cc1ccc(NC(=O)Nc2cccc(F)c2)nc1,0,1,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3F)C2)nc(OC)c1F,0,0,0,0
CN(C)CCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c21,0,0,0,0
Fc1ccc(/C=N/NC2=Nc3cccc4cccc2c34)cc1,0,1,0,0
O=c1oc2ccccc2cc1-c1nc2c(s1)CCCC2,0,1,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cccc(C(=O)O)c3o1)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
O=C(Nc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc2c(c1)OCO2,1,0,0,0
N#Cc1cc(-c2ccnc(Nc3cnn(C4CCNC4)c3)n2)ccc1OC1CCOCC1,0,0,0,0
CN1CCN(CCCOc2ccc(-c3cccc(C#N)n3)cc2C(F)(F)F)CC1,0,0,0,0
Cc1cc(-c2ccc(F)c(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C,0,0,0,0
CC(C)(C)c1ccc(-c2noc(-c3ccno3)n2)cc1,0,1,0,0
COc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
Oc1ccc(N2CCN(C(c3cccnc3)c3nnnn3Cc3ccccc3)CC2)cc1,0,0,0,0
CC(C=CC1=C(C)CCCC1(C)C)=CC=CC(C)=CCO,1,0,0,0
O=c1[nH]c(Cc2ccccc2-n2ccc(C(F)(F)F)n2)nc2c1cnn2C1CCOCC1,0,0,0,0
CN1CCN(C(=O)OCCCC2CCc3ccccc3N2S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1ccc(O)c(NC(=O)CCC2CCCCC2)c1,0,1,0,0
O=C(O)CCNC/C=C/c1ccc(OCCCCc2ccccc2)cc1,0,0,0,0
Cn1cc(C=Cc2nc3ccccc3c(=O)n2-c2ccccc2)c2ccccc21,0,0,0,0
COC(=O)N1C(C)C=CC1(Cc1ccccc1)C(=O)NCCCNc1ncc(C(F)(F)F)cc1Cl,1,0,0,0
O=C(CN1CCN(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)CC1)Nc1ccccc1Cl,1,0,0,0
N#C[C@@H]1CCCCC1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)c(CO)c2)n1,0,0,0,0
C[C@@H](c1ccc(-c2ccc[nH]c2=O)cc1)N1CC[C@](CCCO)(c2ccc(F)cc2)OC1=O,0,0,0,0
CCOC(=O)c1sc(NC(=O)CCN2CCN(CC)CC2)c(C(=O)OCC)c1C,1,0,0,0
COc1ccccc1NC(=S)N(CCCN(C)C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0,0,0
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3)n2)CC1,0,0,0,0
CCN(CC)CCSc1nc(-c2cc(OC)c(OC)cc2Cl)c2c(C#N)c[nH]c2n1,0,0,0,0
C=CCn1c(S)nnc1-c1csc(-c2ccccc2)n1,1,0,0,0
CC(=O)Nc1cccc(OC(=O)c2ccoc2C)c1,0,0,0,0
COC(=O)c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
Cc1ccc2nc(-c3ccc(NC(=O)CN(C)S(=O)(=O)c4ccccc4)cc3)sc2c1,0,1,0,0
CC(=Nc1ccc(Br)cc1)c1sc2ccccc2c1O,0,1,0,0
N#Cc1c(N2CCCCC2)nc(N)c2c(N)nc3c(c12)CC(CCl)O3,0,0,0,0
c1ccc(-c2ccc(CN3CCN(c4ncccn4)CC3)cc2)cc1,1,0,0,0
N=C(N)c1ccc(C(=O)N2CCc3c(n(Cc4cccc(C(=N)N)c4)c4ccccc34)C2)cc1,0,0,0,0
CC(N)=C(C#N)C(=O)COc1ncnc2ccccc12,0,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c5c(C)csc5c4)nn32)CC1,0,0,1,0
Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCc3ccccc3C2)cc1,1,0,0,0
N#Cc1ccc(CSC2=NCCN2)cc1,0,0,0,0
Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OC(C)CCNS(C)(=O)=O)c12,0,0,0,0
CCOc1cc(C2NC(=O)N(C)C(C)=C2[N+](=O)[O-])ccc1OC(C)=O,0,0,0,0
N#Cc1ccc(NC(=O)N2CCCc3cc(CC(=O)O)c(C=O)nc32)nc1,0,0,1,0
CCCCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn12,0,0,0,0
Cc1ccc(-c2c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc3n2-c2cccc(O)c2)cc1,0,0,0,0
O=C(c1ccc(Cl)s1)[C-](C(=S)Nc1cccc2ccccc12)[n+]1cccc(CO)c1,0,0,0,0
COc1cc(C(F)(F)F)c(-c2ccc(C(=O)O)c(F)c2)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
CCN(CCCNC(=O)c1cc(Nc2ccc(OC)cc2)nc2ccccc12)c1cccc(C)c1,1,0,0,0
COc1cc(OC)c(NC(=O)c2ccc3nc(C(C)C)oc3c2)cc1Cl,1,0,0,0
Nc1cc(OC(=O)c2ccc(F)cc2)nn1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23,0,0,0,0
CC(=O)c1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1,0,0,0,0
CC(C)(C)OC(=O)NCc1nc(-c2nc(C(=O)NCCCCC(=O)NO)cs2)cs1,0,0,0,0
COc1cc(CN2CCN(CCOCCO)CC2)cc(OC)c1OC,0,0,0,0
COc1ccc(-c2onc3ccc(C(=O)C=CN(C)C)cc23)cc1,0,0,0,0
Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1Br,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Br)cc12,0,0,1,0
CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)C[C@@H]3F)C2=O)COC1=O,0,0,0,0
CC(C)C(CC(=O)OCC1(CO)C/C(=C\c2ccccc2O)C(=O)O1)C(C)C,0,0,0,0
COC(=O)/C=C/c1ccc(-c2nc(-c3ccc(N4CCCC4)cc3)c(-c3ccc(N4CCCC4)cc3)[nH]2)cc1,0,0,0,0
Cc1cccnc1N(c1ccccc1)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1,0,0,0,0
CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCC(F)CC5)cn4)ccc32)cc1,0,0,0,0
Nc1cc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)ncn1,0,0,0,0
Fc1cnc(Nc2ccc3cn[nH]c3c2)nc1Nc1ccc2c(c1)OCCO2,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C(=O)NCCO)cc3-4)cc2)C1,0,0,0,0
CC(C)Cn1c(N2CCN(C(=O)c3cccs3)CC2)nc2ccccc21,0,0,0,0
CNC(=O)c1cccc(Nc2nccc(N3CC(COc4ccc(C)cc4)C3)n2)c1,0,0,0,0
O=S(=O)(N=C(c1ccccc1)N1CCOCC1)c1ccc(Cl)cc1,0,0,0,0
O=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1cccc(O)c1,0,0,0,0
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)c(Cl)c3)CC2)c(C)o1,0,0,0,0
Cc1c(-c2ccc(OC(F)(F)F)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
CCCCCCn1c(CCCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N,0,0,0,0
O=c1c2cc3c(cc2nc2sc(Nc4ccc(F)c(Cl)c4)nn12)OCO3,0,0,0,0
Cc1cnc(CNc2cc(-c3ccc(C(=O)N(C)C)cc3)ncn2)cn1,0,0,0,0
Cc1ccc(Oc2nn[nH]n2)cc1,0,0,0,0
O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl)N1CCOCC1,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2cc(F)c(Cl)cc21,0,0,0,0
COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(N(C)C)nc1[C@@H]1C=C[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
Cc1ccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)cc1,0,1,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@@H]2CN(c3nccc(C(F)(F)F)n3)C[C@@H]2C(=O)O)c1,0,0,0,0
CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1ccc(Cl)c(C)c1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NC2CCC(C)CC2)cn1C,0,0,0,0
OC(COc1cccc2ncccc12)CN1CCN(C2c3ccccc3C3C(c4ccccc42)C3(F)F)CC1,0,0,0,0
O=C(CCN1C(=O)C(=Cc2ccccc2F)SC1=S)NCCc1ccc(O)cc1,1,0,0,0
CC(C)(C)C(=O)Nc1ncccc1C(O)c1cccc(C(F)(F)F)c1,0,0,0,0
Cc1cc(Nc2ccc3c(c2)OCCO3)c2cccc(C)c2n1,0,0,0,0
COc1cc(CN(CC2CCCCC2)C2c3ccc(Cl)cc3CC2C(=O)O)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C1=CCN(C(=O)OC(C)(C)C)CC1,0,0,0,0
CCOc1ccc(F)c(F)c1[C@@H]1C[C@@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COc1cc(C(c2c(O)cc(C)[nH]c2=O)c2c(O)cc(C)[nH]c2=O)ccc1O,0,0,0,0
CCCC(=O)Nc1nc(C)c(C(C)=O)s1,0,0,0,0
CCCCCCCCc1c(O)[nH]c(-n2[nH]c(C)c(CCO)c2=O)nc1=O,0,0,0,0
[O-][S+](c1ccccc1)c1ccc2nnnn2n1,0,0,0,0
CCCC(=O)C1=C(N2CCCCC2)CC(C)(C)C(C(=O)OC)C1=O,0,0,0,0
COc1ccccc1-c1cc(NCc2cnc(C)cn2)ncn1,1,0,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C(C)(C)CO)ns2)n1,0,0,0,0
CCCCC(=O)Nc1ncc([N+](=O)[O-])s1,0,0,0,0
O=C(O)c1ccc(-c2ccc(/C=N/Nc3ccc([N+](=O)[O-])cc3)o2)cc1,0,1,0,0
COc1ccc(CCN2C(=O)CC(Cc3ccc(C)cc3)C2=O)cc1OC,1,0,0,0
Oc1ccc2ccccc2c1Cc1c(O)ccc2ccccc12,0,0,0,0
COc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)cc3)[nH]2)c1,1,0,0,0
CCC(=NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)C1=C(O)CC(c2ccccc2)CC1=O,0,0,0,0
CC(CC(=O)Nc1cccc(Cl)c1Cl)=NNC(=O)C(=O)N1CCCC1,1,0,0,0
CC1C/C(=N/N2C(=O)CSC2=S)CC(C)(C)C1,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2)o1,1,0,0,0
CCOc1ncccc1-c1nc(-c2cccs2)no1,0,0,0,0
Cc1cc(Nc2nccn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3S(=O)(=O)C(C)C)n1)CCNCC2,0,0,0,0
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,0,0,0,0
O=S1(=O)CCC(NS(=O)(=O)c2ccc(-c3ccnc4[nH]c(Cn5ccnn5)cc34)cc2)CC1,0,0,0,0
OC1CC2CCCCC2CC1N1CCC(c2ccccc2)CC1,0,0,0,0
C[S+]([O-])c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
Cc1noc(C)c1C(=O)N1CCC[C@@]2(CCN(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)C2)C1,0,0,0,0
CCc1nc2nc(C)cc(Nc3cc(C)ccc3C)n2n1,0,0,0,0
COc1ccc(C=Cc2cc(C(F)(F)F)nc(=O)[nH]2)cc1OC,0,0,0,0
Cc1cc(Nc2nc(N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)c(-c3nc4ccccc4s3)c(=O)[nH]2)cc(C)n1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(N)=O)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,1
O=C(CN1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1)Nc1ccc2c(c1)OCO2,1,0,0,0
CCC1(CCCCN2CCN(c3ccc(Cl)cc3Cl)CC2)C(=O)Nc2ccccc21,0,0,0,0
Nc1cccn2cc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)nc12,0,0,0,0
CC1Oc2ccccc2OC1(O)c1ccc2ccccc2n1,0,0,0,0
O=[N+]([O-])c1ccc(Nc2n[nH]c3cc(Cl)c(-c4ccccc4)cc23)nc1,0,0,0,0
COc1ccc(N2C(=O)CC(c3ccc([N+](=O)[O-])cc3)C2=O)cc1,0,0,0,0
N#Cc1cc(-c2nc(N)[nH]c(=O)c2C#N)ccc1OCC1CC1,0,0,0,0
Cc1cc(Cl)c2oc(C(=O)N(C)Cc3ccon3)c(C)c2c1,0,1,0,0
Cc1ccc(O)c(C(=O)/C=C/c2ccc3c(c2)OCCO3)c1,0,1,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCCCCO)c(C(=O)O)c2)c1,0,0,0,0
Nc1ncnc2c1c(-c1ccc3occc(=O)c3c1)nn2C1CCCC1,0,0,0,1
CN(CCOc1ccc(-c2ccn(S(=O)(=O)c3cccc4ccccc34)n2)cc1)c1ccccn1,1,0,0,0
Cc1ccc(-c2nc(C(=O)N3CCN(c4ccc5ccccc5c4)CC3)cn2-c2cccc3c2OCCO3)cc1,0,0,0,0
O=C(C1CCC(CNS(=O)(=O)c2cccs2)CC1)N1CCN(c2ccc(F)cc2)CC1,1,0,0,0
O=c1oc2ccccc2c(O)c1C1c2ccc(O)cc2Oc2c1c(=O)oc1ccccc21,0,0,0,0
NC1CCCN(c2ccncc2-c2cc3c(-c4ccccc4F)n[nH]c3cn2)CC1,0,0,0,0
C=CCn1c(C)cc(C2=NNC(=Nc3ccc(C)cc3)SC2)c1C,0,0,0,0
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CCCSc1nnnn1-c1ccccc1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N(CCO)C3CCCCC3)cc2F)cn1,0,0,0,0
COC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4cc(F)ccc43)ccc2=O)c1,0,0,0,0
CC(N=Cc1c(O)n(C2CC2)c(=S)[nH]c1=O)c1ccccc1,0,0,0,0
CNC(=O)c1ccc2c(c1)CCOC2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(F)cc3)CC21,0,0,0,0
CC1CN(C(=O)N2CCC(C(=O)NC3CCCCCC3)CC2)c2ccccc2O1,1,0,0,0
CCOC(=O)C1CCN(C(=O)COC(=O)c2nn(C)c(=O)c3ccccc23)CC1,0,0,0,0
CCCCc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1,0,0,0,0
CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(C(C)=O)cc4)cnc3c2c1-c1ccc(Cl)cc1,0,0,0,0
CC(=O)c1ccc(C(=O)N2CCCC(CO)(Cc3ccccc3C)C2)s1,0,0,0,0
COc1ccc2c(c1)OCC1C2N2C(=O)c3cc(Cl)ccc3NC(=O)C2(C)C1c1ccccc1,0,0,0,0
Cc1cc(Br)c(S(=O)(=O)NCc2ccncc2)cc1C,0,0,0,0
COc1cccc(C=C2CCCCC2=O)c1,0,0,0,0
O=c1oc2ccccc2n1C1CCN(CC[C@H]2CCCN2S(=O)(=O)c2ccc3cc[nH]c3c2)CC1,0,0,0,0
CC(C)(C)c1ccc2c(c1)N(CC(=O)O)C(=O)CO2,0,0,0,0
Nc1ncc(C2CCC(=O)NC2)nc1-c1ccc(C(=O)NCc2ccccc2)c(F)c1,0,0,0,0
CN1C(=O)CCN(C2CCCC2)c2nc(Nc3ccc(N4CCC(O)CC4)cn3)ncc21,0,0,0,0
CN(C)c1ccc(Nc2ccc3c(c2)N(c2nc4c(s2)C(=O)NC(C)(C)C4)CCO3)nn1,0,0,0,0
O=P(NCc1cccnc1-c1cc(Cl)cc(Cl)c1)(c1ccccc1)c1ccccc1,0,0,0,0
Cn1c(C[S+]([O-])Cc2c(Cl)cccc2Cl)nnc1SCc1ccc(Cl)cc1,1,0,0,0
Cc1cnccc1-c1cc(C(F)(F)F)cc2[nH]ncc12,0,0,0,0
COc1ccc(C(c2ccc(OC)c(O)c2)n2cncn2)cc1O,0,0,0,0
O=c1cc(-c2ccc([N+](=O)[O-])cc2)nc2cc(-c3ccc(F)cc3)[nH]n12,0,0,0,1
Cn1c(=O)c2c(nc(NN=Cc3ccc(OC(=O)c4ccco4)cc3)n2Cc2ccccc2Cl)n(C)c1=O,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OCc4ccc(F)cc4)c3)C2)cc1,0,0,0,0
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(I)cc3)[C@@H](C)C2)CC1,0,0,0,0
COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C,1,0,0,0
COCCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O,0,0,0,0
Cc1ccccc1-n1ncc2c([N+](=O)[O-])cc([N+](=O)[O-])cc21,0,0,0,0
COC(=O)C1(c2ccccc2)CCN(CCCNC(=O)N2C(=O)NC3=C(C(=O)OC3)C2c2ccc3c(c2)OCO3)CC1,0,0,0,0
Cc1c(-c2ccc(Cl)cc2)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
COc1ccc(CNC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1OC,1,0,0,0
CCN1CCN(CC2COc3ccccc3O2)CC1,0,0,0,0
O=C(Cn1cnc2c(cnn2-c2ccccc2)c1=O)OCc1ccccc1,0,1,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2cc(I)ccc2Cl)CC1,0,0,0,0
O=c1nc(OCC2COCCO2)cc2n1CCc1cc(-c3ccc4[nH]ccc4c3)ccc1-2,0,0,0,0
COc1ccc(F)c(-c2ccc(COc3ccc4c(c3)[C@]3(CCC4)C[C@H]3C(=O)O)cc2[C@@H]2CCCC2(C)C)c1,0,0,0,0
Cc1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0,0,0
Cc1onc(-c2ccccc2)c1-c1ccc(S(=O)(=O)NO)cc1,0,0,0,0
CC(=O)Nc1c(C(=O)C2CC2)oc2ccccc12,0,0,0,0
Clc1ccc(-c2nnc(C3CCCCC3)o2)cc1,0,0,0,0
COc1cc(Br)c(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1OC,0,0,0,0
CCCCc1cc(=O)oc2cc(OCc3cc(OC)c(OC)c(OC)c3)c(Cl)cc12,0,0,0,0
O=C(O)c1cc(-c2cccs2)nc2cc3c(cc12)OCCO3,0,1,0,0
Cc1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1,0,0,0,0
O=C1Cc2cc(Cl)ccc2N1,0,0,0,0
COc1cc(C(C)C)c(Cc2ccc(/C=C/C(C)(C)C(=O)NC(C)(C)C(N)=O)cc2C)cc1[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
COc1ccc(C=NNC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C,1,0,0,0
COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(Cl)cc3)N3CCC[C@@]23C1=O,0,0,0,0
CCCCOc1ccc(CNC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1,1,0,0,0
CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c(C#N)c1C,1,1,0,0
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCCCC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1,0,0,0,0
COc1ccc(OC)c(CNC(=O)c2ccc3c(c2)c(C)c(C)n3C)c1,1,0,0,0
O=C1NC(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O,0,0,0,0
Cc1csc(C(=O)O)c1-n1cccc1,1,0,0,1
O=C(c1cc(O)c(-c2cc(Cl)cc(Cl)c2)c(O)c1)c1cccs1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccc(F)cc2)c2cccc(F)c2)CC1,0,0,0,0
Nc1nc2c(cnn2CCN2CCc3ccccc3CC2)c2nc(-c3ccco3)nn12,0,0,0,0
NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0,0,0,1
CC(NC(=O)c1nc(N2CCOCC2)n2ccccc12)C(C)(C)C,0,0,0,0
CC(C)CCn1nnnc1CN1CCN(c2ccccc2)CC1,1,0,0,0
CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)C1CC=CCC1C(=O)O,1,0,0,0
COc1ccc(Nc2c(-c3cccc(O)c3)nc3cnccn23)cc1,0,0,0,0
C[C@H]1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(C(F)(F)F)c1Cl,0,0,0,0
CC(C)(C)c1ccc2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccccn5)n4)c3CO)ncc2c1,0,0,0,0
C=CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(C(=O)Nc4ccc(C)cn4)cc3)n2)c1,0,0,1,0
COc1cccc(N2CCN(C(=O)c3ccc(CSc4nc5ccncc5[nH]4)cc3)CC2)c1,0,0,0,0
Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(F)c2)n1,0,0,0,0
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(S(N)(=O)=O)cc2)c1,0,0,0,0
CC[C@H](C)[C@@H]1NCCOc2ccccc2CCCNC(=O)[C@@H](Cc2cscn2)NC(=O)[C@@H](C)N(C)C1=O,0,0,0,0
Cc1ccc(CN2C(=O)C(O)(c3c(C)[nH]c4ccccc34)c3ccccc32)cc1,0,0,0,0
Clc1ccccc1OCCNCCCOc1ccccc1,0,0,0,0
Clc1ccc(OCc2cn3cccnc3n2)c2ncccc12,1,0,0,0
COCC1CCCCN1C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1,1,0,0,0
CCN(CC)CCCNC(=O)CN1N=C(c2ccccc2)CCC1=O,0,0,0,0
OC[C@H]1C[C@@H](Nc2nc(NC3CC3)ncc2-c2nc3ccccc3s2)[C@H](O)[C@@H]1O,0,0,0,0
CC(C)(C)c1cc(=O)nc(SCc2ccccc2Cl)[nH]1,0,0,0,0
O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1,0,1,0,0
CO[C@H]1CC[C@H](n2c(=O)n(C)c3cnc4ccc(-c5ccc(OCCCN6CCCC6)nc5)cc4c32)C1,0,0,0,0
CCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1Cl,1,0,0,0
COCCN(C(=O)CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)C(C)C,1,0,0,0
CCSc1nnc(NC(=O)c2ccc3ccccc3n2)s1,0,1,0,0
CCCCC1=CC2=CC(=O)C(C)(OC(=O)CC)C(=O)C2=CN1c1ccc(OC)cc1,1,0,0,0
COc1ccc(N2C(=O)c3ccccc3NC2c2ccc(OC)c(CN3CCOCC3)c2)cc1,0,0,0,0
CC(=O)N1CCN(CCS(=O)(=O)NCCc2c(CCOc3ccc(C(=O)O)cc3)c3cc(Cl)ccc3n2C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
O=c1[nH]c2cc(Cl)ccc2c(O)c1-c1cccc(Oc2ccccc2)c1,1,0,0,0
Cc1ccc(/C=N/Nc2cccc3cccnc23)c(O)c1,0,1,0,0
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cccc(C)c1,0,0,0,0
Cc1ccc2c(c1)cc(CN(CCc1ccccc1)C(=O)N1CCOCC1)c1nnnn12,1,0,0,0
CC(=O)c1ccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2)cc1,0,0,0,0
CCOC(=O)CSc1n[nH]c(NS(=O)(=O)c2ccccc2C(F)(F)F)n1,0,0,0,0
Cc1sc2nc(COc3ccc(F)cc3)cc(=O)n2c1[C@@H]1C[C@H]1CO,0,0,0,0
O=C1NCCc2[nH]c(-c3cccc4ccc(-c5c(F)cccc5F)nc34)cc21,0,0,0,0
CS(=O)(=O)C(C(=O)NCCS(N)(=O)=O)c1nc2ccc(-c3ccc(N4CCOCC4)cc3)cc2s1,0,0,0,0
COc1cc2c(cc1OC)C(CCc1ccccc1)N(C(N)=O)CC2,0,0,0,0
O=C(c1ccc2oc(CCCc3ccccc3)nc2c1)N1CCCC(CCCO)C1,1,0,0,0
Cc1nc(C)c(-c2ccc(SCc3ccc([N+](=O)[O-])cc3)nn2)s1,1,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(N)CC6)cc5c4)n3c2)cn1,0,0,0,0
Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c2c1CC(C)(C)O2,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)n[nH]1,0,0,0,0
Cc1cc(C)cc(NC(=O)C(c2ccccc2)N2CCN(CC(=O)N3CCCC3)CC2)c1,1,0,0,0
CN1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4ccc5cc[nH]c5c4)c3c2)CC1,0,0,0,0
CCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)nc2s1,0,0,0,0
C[C@H](Nc1ncnc(N)c1-c1cc(O)cc(F)c1)c1nn2cccc2c(=O)n1-c1ccccc1,0,0,0,0
CC(C)C1(c2cc(C(F)(F)F)c(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O,0,0,0,0
COc1cc(Nc2cc(Oc3cccnc3C)ccn2)cc(OC)c1OC,0,0,0,0
COCCCNC(=O)C1CCCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)C1,0,0,0,0
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCC3CCCO3)sc21,1,0,0,0
NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1,0,0,0,0
CCOc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2ccccc2)cc1,1,0,0,0
CN(C)CCOc1cncc(N2CCC2)c1,0,0,0,0
CC1(C)OC(=O)C(Oc2ccc3sccc3c2)=C1c1ccc(S(C)(=O)=O)cc1,0,0,0,0
O=C(c1ccccc1)N1CCN(c2ncccn2)CC1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCN(C)C)cc3)oc2c1,0,0,0,0
Sc1ncnc2ccccc12,0,0,0,0
COC(Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)O,0,0,0,0
CC(N)=C(C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1-c1ccc(C)cc1,0,0,0,0
C#CCN1CCCC(CN(CCCOC)S(=O)(=O)c2ccc3ccccc3c2)C1,0,0,0,0
CCOC[C@@H]1C(=O)NCCN1C(=O)C[C@H](N)Cc1cc(F)c(F)cc1F,0,0,0,0
COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4ccc(F)cc4)C[C@@H]3O)CC2)cc1,0,0,0,0
CCC(CC)c1nc(C)c2nc(-c3ccc(OC)cc3C)c(C)cn12,0,0,0,0
Cc1cc(/C=C2/NC(=O)NC2=O)c(C)n1-c1ccccn1,0,1,0,0
CCN(C(=O)NC)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)s1,0,0,0,0
Cc1[nH]c2ncnc(Nc3cccc(Cl)c3)c2c1C,0,0,0,0
Cc1ccccc1-c1c(-c2ccc3n[nH]c(C)c3c2)nnn1Cc1ccccc1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1nc(-c2ccccc2Cl)oc1C,0,0,0,0
CCCCCC(=O)Nc1cccc(C2=NOC3(C2)CC(C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1,1,0,0,0
CCc1cc2c(cc1N1CCC(N3CCN(C)CC3)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
O=c1c2oc3ccccc3c2n(Cc2ccccc2F)c(=O)n1Cc1ccc2c(c1)OCO2,0,0,0,0
CN(CCCOC(=O)c1c2ccccc2cc2ccccc12)CCN(C)CCCOC(=O)c1c2ccccc2cc2ccccc12,0,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccc(F)cc1,0,0,0,0
O=C1NC(=O)N(CCc2ccccc2)C(=O)/C1=C/NCCCn1ccnc1,0,0,0,0
O=C(CCc1nnc2n(Cc3ccc(Cl)cc3)c(=O)c3ccccc3n12)NCCN1CCCC1,1,0,0,0
Nc1cnc(-c2ccc(C3CCC3)c(OCC3CC3)c2F)cn1,0,0,0,0
O=C(C=Cc1ccccn1)c1ccc(Br)cc1O,1,0,0,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(CO)cc2)S1)c1ccc(F)cc1,0,0,0,0
CCc1cn2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(C(F)(F)F)c1C,0,0,0,0
COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1,1,0,0,0
O=c1oc2cc(O)ccc2c2c1CCCC2,0,0,0,0
C[C@@](C(=O)O[C@H]1C[N+]2(Cc3cc(-c4ccccc4)on3)CCC1CC2)(c1ccccc1)N1CCCCC1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)s1,0,0,0,0
O=C(CN1C(=O)C2CC=CCC2C1=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1,1,0,0,0
O=C1CCc2cc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc3c2N1CC3,0,0,0,0
CCOC(=O)Cc1csc(N)n1,0,0,0,0
CC1CCCN(c2ccc([N+](=O)[O-])s2)C1,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4nccc4C)cc[nH]c3=O)nc12,0,0,0,0
CC(C)CN1CCC2(CC1)Oc1ccccc1C1CC(c3ccncc3)=NN12,0,0,0,0
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(C)[C@H](OC(C)=O)[C@@H](C)Cc3ccccc3)O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@]1(C(=O)O)O2,0,0,0,0
CN(C)C/C=C/C(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3OC)coc12,0,0,0,0
Cc1ccccc1CN1CCc2ccccc2C(NCc2cncn2Cc2ccc(C#N)cc2)C1=O,0,0,0,0
CCc1cc(-c2nc(-c3cc(C)c(OC[C@@H](O)CNC(=O)CO)c(CC)c3)no2)cc(OC2CCC2)n1,0,0,0,0
CCOc1cc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc(OCC)c1OCC,0,0,0,0
COC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O,0,0,0,0
CCCc1ncc(C[n+]2ccccc2C)c(N)n1.Cl.[Cl-],0,0,0,0
O=S(=O)(c1ccccc1)c1cc(CCO)c2oc3c(c2c1)CNCC3,0,0,0,0
O=C1CN(C(=O)COC(=O)CNS(=O)(=O)c2ccccc2)c2ccccc2N1,0,0,0,0
Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)nn2)cc1,1,0,0,0
Nc1ccccc1-c1nnc2n1CCCCC2,0,0,0,0
COc1ccc(OCC(=O)N/N=C2\CCCc3ccccc32)cc1,0,1,0,0
CC#CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21,0,0,0,0
COc1nc(OC)nc(N2CCCCCC2)n1,0,0,0,0
CN1CCC(Nc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](O)C5)c(C#N)c4)n3)cn2)CC1,0,0,0,0
CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1F,1,0,0,0
COc1ccccc1C1CC2(CCN(C(=O)Nc3onc(C)c3C)CC2)C1,0,0,1,0
CC(C)c1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCN(CC)CC,1,0,0,0
CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(C(=O)CNC(C)=O)C1,0,1,0,0
CCCCn1ccc(C)c(Oc2nc3ccccc3o2)c1=S,0,0,0,0
NCc1cccc(C2CCN(C(=O)c3cn(-c4cccnc4)c4ccccc34)CC2)c1,0,0,0,0
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,0,0,0,0
CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cc(Br)cc3c2cnn3-c2ccccc2C#N)C1=O,0,0,0,0
N#Cc1c(Cl)cccc1N1CCCC1,0,0,0,0
CC(C)N1CCOC(COc2cccc(CN3CCOCC3)c2)C1,0,0,0,0
O=C(O)c1ccccc1C(=O)N1CCN(C(=O)c2ccccc2Cl)CC1,0,0,0,0
Cc1ccc2c(c1)c([S+]([O-])c1ccc(Cl)cc1)c(C)n2CC(=O)O,0,0,0,0
CC[C@@H]1C[C@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)c2nc(C(F)(F)F)ccc2N1C(=O)OCCc1nn[nH]n1,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(Cl)cc3)CC1=O)C2,0,0,0,0
COCCOc1ccc(-c2ccc(OCC(CN3C(=O)NC(C)(C)C3=O)N(O)C=O)cc2)cc1,0,0,0,0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,0,0,0,0
Cc1cc(C(=O)NC2CCCc3c2cnn3-c2ccc(C(C)(C)C)cc2)[nH]n1,1,0,0,0
Cn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21,0,0,0,0
Fc1ccccc1/C=N/NC(=S)Nc1ccc(Cl)cc1Cl,1,0,0,0
O=c1c2cc(-c3ccccc3)sc2ncn1/N=C/c1ccco1,0,1,0,0
CCOC(=S)SCC(=O)Nc1nc(C)c(C)s1,1,0,0,0
Cn1cc(/C=C2\Oc3cccc(O)c3C2=O)c2c(-c3ccccc3)ccnc21,0,0,0,0
O[C@@H](CNC1C2CC3CC(C2)CC1C3)COc1cccc2[nH]ccc12,0,0,0,0
NC1CCCN(c2ccc(Nc3c(C(=O)C4CC4)cnc4ccc(-c5cc(F)c(O)c(F)c5)cc34)cn2)C1,0,0,0,0
N#CC(c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1,0,0,1,0
O=C(Oc1cc(Cl)cc(Cl)c1)c1cnc2n(c1=O)CCS2,0,0,0,0
Cn1c(-c2ccc(F)cc2)cnc1NCc1ccccc1,0,0,0,0
CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)/C1=C\c1cccs1,0,0,0,0
Nc1ccccc1-c1ccc2c(c1)sc1c(N)ncnc12,0,0,0,0
Clc1ccc(-c2cc(C3(c4ccccc4)CCN(CCc4ccccc4)CC3)[nH]n2)cc1,0,0,0,0
CCc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,1,0,0,0
Cc1cc(C(F)(F)F)cnc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1,0,0,0,0
O=C1CN(C(=O)N2CC(NC(=O)c3ccccc3)CC(c3ccc(C(F)(F)F)cc3)C2)CCN1,0,0,0,0
CCC(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)C2CCCCC21,0,0,0,0
COc1ccc(CNCc2cccc(Oc3ccccc3)c2)cc1,0,0,0,0
O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc2ccccc12,1,0,0,0
CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)cn4)ccc32)cc1,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(O)c1cccc(F)c1-2,0,0,0,0
CCCCC(CC)C(=O)Nc1ncc([N+](=O)[O-])s1,0,0,0,0
C=CCNc1nnc(-c2ccncc2)s1,0,0,0,0
Cc1ccc(-c2cc(-c3ccccc3)nc(Cl)n2)cc1,0,0,0,0
CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(F)ccc3c1C2=O,0,0,0,0
Nc1ccn(C2OC(CNCC3=CCOc4ccc(O)cc43)C(O)C2O)c(=O)n1,0,0,0,0
N#Cc1c(-c2ccc(F)cc2)noc1N,0,0,0,0
CC1(C)Cc2c(sc3[nH]c(NN=Cc4ccccc4)nc(=O)c23)CO1,0,0,0,0
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3nnc(-c4ccc5ccccc5n4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C(C)C)[C@H]2O)[C@](C)(O)C[C@@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@]1(C)O,0,0,0,0
Cc1nc(N)nc(-c2c(Nc3ccn[nH]3)nc3ccc(-c4cnccc4C)cn23)n1,0,0,0,0
CC(C)CCCn1c(O)c(/C=C2/C=CC=N2)c(=O)[nH]c1=O,0,0,0,0
O=c1cc(CO)oc(C(Nc2ccccn2)c2cccc(F)c2)c1O,1,0,0,0
[C-]#[N+]c1ccc(N2C(=O)C3(CCCC3)N(c3ccc([N+](=O)[O-])cc3)C2=S)cc1C(F)(F)F,0,0,0,0
O=C(CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)Nc1ccc(F)cc1F,1,0,0,0
CN1CCC=C(c2nsnc2OCCCCCCCCCCCCCC2CCN(CCCN3C(=O)CCc4ccccc43)CC2)C1,0,0,0,0
CC(C)(C)OC(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1,0,0,0,0
CCOc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1,0,0,0,0
CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)[C@H](C#N)C1,0,0,0,0
Cc1cc(Cl)cc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0,0,0
Cc1ccc(NC(=O)Nc2cccnc2)cc1Cl,0,1,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(SC)cc2)nc2ccc(Cl)cc12,0,0,1,0
COc1cccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)c1,0,0,0,0
Cc1ccc(NS(=O)(=O)c2ccccc2)c2c1CC(C)(C)O2,0,0,0,0
Cc1ccccc1Cn1c(=O)n(CCC(=O)NCc2ccc3c(c2)OCO3)c(=O)c2ccccc21,1,0,0,0
Cc1cc(C)c(NC(=S)NCCCSC2CCCCC2)c(C)c1,0,0,0,0
CS(=O)(=O)N1CCN=C1SCc1cccc(F)c1,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(Cc2ccc(C(=O)O)cc2)c1,0,0,0,0
COc1ccc(Cn2cccc(/C=C/C(=O)NO)c2=O)cc1,0,0,0,1
CCCCN(CCCC)c1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
COc1cc(CCCN2C(=S)NCC2Cc2ccccc2)cc(OC)c1OC,0,0,0,0
O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1ccco1,0,0,0,1
COc1ccc(C(=O)C2CCCN(C(=O)c3ccc4nccnc4c3)C2)c(C)c1,0,0,0,0
O=c1[nH]cnc2[nH]c(-c3cccc4ccc(Oc5ccccc5)nc34)cc12,0,0,0,0
Cc1cc(C)cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)c1,1,0,0,0
Oc1cccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cc(N3CCOCC3)n2)c1,0,0,0,0
Cc1ccccc1Nc1[nH]nc(C)c1[N+](=O)[O-],0,0,0,0
C(=N/NC1=Nc2cccc3cccc1c23)\c1ccccc1,1,1,0,0
COc1ccc(CNC(=O)CCc2c(C)nc3cc(-c4ccccc4OC)nn3c2C)cc1,1,0,0,0
CSCCC(NC(=O)c1ccccc1)C(=O)N(C)CC(=O)Nc1ccc(N2CCOCC2)cc1,1,0,0,0
CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2C1c1cccc(O)c1,0,0,0,0
CCOc1cc(CN)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
Cc1nccn1Cc1ccc(Sc2cccc(C3(C(N)=O)CCOCC3)c2)cc1,0,0,0,0
Cc1cc(C)c(NN=c2c(=O)c3ccccc3c2=O)c(C)c1,0,1,0,0
Cc1cc(NS(C)(=O)=O)c(=O)n(Cc2cccc(F)c2)c1,0,0,0,0
Cc1cccc(N(Cc2ccccc2F)S(C)(=O)=O)c1,0,0,0,0
CCc1cnn2c(NCc3ccc[n+](O)c3)cc(N3CCCCC3CCO)nc12,0,0,1,0
O=C(O)COc1ccc(C=NNC(=O)c2ccc(-c3csc(Nc4ccc(Cl)cc4)n3)cc2)cc1,0,0,0,1
Cc1ccc(-c2[nH]c3cc(C(N)=O)ccc3c(=O)c2O)cc1,0,0,0,0
CCOc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,1,0,0,0
Cc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
CCOC(=O)C1=C(C)N(C)C(=O)NC1c1cccc2ccccc12,0,0,0,0
NC(=O)c1cccc2c(NCc3ccc4occc4c3)ncnc12,0,0,0,0
CC(=O)Nc1cccc(Nc2nc3ccccc3n3c(C)nnc23)c1,0,0,0,0
Cc1nnc(Sc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2Cl)s1,1,0,0,0
COc1ccc(-c2ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nn23)cn1,0,0,0,0
Cc1ccc(-n2nc(C)c(/C=N/n3c(C)n[nH]c3=S)c2Cl)cc1,0,0,0,0
COC(=O)c1c(O)cc(C(C)(C)C)n(-c2ccc(F)cc2)c1=O,0,0,0,0
COc1ccc(C(=O)N2CCOCC2)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1cc(Cl)ccc1C)C2=O,0,0,0,0
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCn4cccn4)cc3)cc12,0,0,0,1
COc1ccc(-c2n[nH]cc2-c2ccc(Cl)cc2)c(O)c1,0,0,0,0
CCOC(=O)COc1nc2c(c(-c3ccco3)c1C#N)CCc1ccccc1-2,0,0,0,0
COCc1cc(C)nc(SCc2nc3ccccc3c(=O)[nH]2)c1C#N,0,0,0,0
Cc1nc2cc(Nc3nc(Nc4ccc(F)cc4)nc(-c4cccs4)n3)ccc2n1Cc1ccccc1,0,0,0,0
CC1=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23OC(=O)C=CC(O)C(O)CC1,0,0,0,0
CC1=C2C(=O)CC(=COC3OC(CO)C(O)C(O)C3O)C2C2OC(=O)C(C)C2C(O)C1,0,0,0,0
COc1cc(S(=O)(=O)N2CC(=O)Nc3ccccc32)ccc1NC(C)=O,0,0,0,0
COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
COc1cc(CNn2nnnc2N)cc(Br)c1OCc1c(Cl)cccc1Cl,0,0,0,0
Cc1ccccc1S(=O)(=O)Nc1ncnc2sccc12,0,0,0,0
CCc1ccccc1NC(=O)Cc1ccc(-n2cccc2)cc1,1,0,0,0
OCC1(CO)COC(c2cccnc2)N1,0,0,0,0
CCCNCc1ccc(CCn2ccc(OCc3ccc(F)cc3)cc2=O)nc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ncnc(N4CCc5nocc5C4)c3F)C2)cc1,0,0,0,0
COc1cc2cc(-c3cc(F)c(OC)c(F)c3)cnc2cc1OC,0,0,0,0
Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2cccs2)c(Br)c1,0,1,0,0
NC(=O)c1ccc2nc(-c3ccc(OCCC4CCCCN4Cc4ccc(Cl)c(Cl)c4)cc3)[nH]c2c1,0,0,0,0
O=C(N/N=C\C=C\c1ccco1)c1cc(-c2ccc3ccccc3c2)n[nH]1,1,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(N)=O)CC1,0,0,0,0
CC(C)Oc1ncc(-c2nc(-c3cccc4c3OCCNC4CCCC(=O)O)no2)cc1Cl,0,0,0,0
CN[C@H]1CCN(c2ccnc(NC3CCCC3)n2)C1,0,0,0,0
COc1ccc2nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1,0,0,0,0
CC(=O)CC(=O)C1C(=O)N(C)C(=O)N(C)C1=O,0,0,0,0
C=CCC1(CC=C)CCCN1C(=O)CC1C(=O)NCCN1Cc1cccc(OC)c1,1,0,0,0
COc1ccc(C(=O)N/N=C/c2ccc3cccc(OCc4ccccc4)c3n2)cc1,0,1,0,0
Cc1ccc(-c2onc3ccc(C=O)cc23)cc1,0,0,0,1
Cc1cccc(OC(=O)c2ccc3nccnc3c2)c1,0,1,0,0
CN(C)c1ccc(C(=O)NN=CC23CCC(O)CC2(O)CCC2C3CCC3(C)C(C4=CC(=O)OC4)CCC23O)cc1,1,0,0,0
CCc1cc(CO)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccccc1C1c2c(n[nH]c2C(C)(C)CO)C(=O)N1c1ccc(-c2cc[nH]c2)cc1,0,0,0,0
Cc1cc(C(=O)N2CCCC(Nc3ccc(F)cc3)C2)n(C)n1,0,0,0,0
Cc1cnc(-c2ccc(C(C)C)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
CCCCNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CNS(C)(=O)=O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
O=C(O)CCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1,0,0,0,0
CCC(C)(C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
CN(C)C=Nc1nc2nccc(-c3cccnc3)n2n1,0,0,0,0
COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2F)cn1,0,0,0,0
O=C1CSC(c2ccccn2)N1Cc1cn2ccccc2n1,0,0,0,0
CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,0,0,0,0
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3CN4CC(F)F)nc(C3CC3)n2)cc1OC(F)F,0,0,0,0
CC(C)c1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1CCC2,1,0,0,0
Cc1ccc(-c2c(CN)c(CC(C)C)nc3ccc(N4CCNC(=O)C4=O)cc23)cc1,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2cccc(F)c2o1,0,0,0,1
COc1cc(C)c2nc3n[nH]c(C)c3c(NCC3CNCCO3)c2c1,0,0,0,0
CSc1ccn(Cc2c(Cl)cccc2Cl)c(=O)n1,0,0,0,0
Cc1cn2c(=O)c(S(=O)(=O)NCc3ccc(F)cc3)c(C)nc2s1,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(Nc4cccc(CN5CCOCC5)c4)nc23)[nH]1,0,0,0,0
CCCCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1,0,1,0,0
CC(C)n1nc(-c2cc(C3CCCC3)on2)c2c(N)ncnc21,0,0,0,0
FC1CCN(Cc2ccc(OCCCN3CCCC3)cc2)CC1,0,0,0,0
COc1ccccc1OCCSc1nnnn1-c1ccc(C)cc1,0,1,0,0
O=C(CSCCO)Nc1nccs1,0,0,0,0
CNc1nc(C)c(C(=O)OCC(=O)OC)s1,0,0,0,0
CCOC(=O)c1c(CN2CCCCC2)n(C)c2cc(Br)c(OC)cc12,0,0,0,0
O=C1CCC/C(=N\NC(=O)c2ccc(NS(=O)(=O)c3ccc(Br)cc3)cc2)C1,1,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1O,0,0,0,0
Nc1c(-c2nc(-c3ccccc3Cl)no2)nnn1-c1ccccc1F,0,0,0,0
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)c(Cl)n23)ccc1F)N1CCN(c2ccccc2F)CC1,0,0,0,0
Cc1cc(C)n2cc(CSCc3ccco3)nc2n1,0,0,0,0
CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccc(F)c3)C(c3cccs3)C2)c1,0,0,0,0
Cc1ccn(-c2ccccc2Cc2nc3c(cnn3C3CCOCC3)c(=O)[nH]2)n1,0,0,0,0
CCOC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1,0,0,0,0
N#Cc1cccc(-c2c[nH]c3ncnc(N4CCCC5(CCOC5)C4)c23)c1,0,0,0,0
c1csc(CNc2nccc3[nH]c4ccccc4c23)c1,0,0,0,0
Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCO5)cc1C,0,0,0,0
CCCc1nc(C)c2c(C#N)nc3ccc(OC)nc3n12,0,0,0,0
Cc1noc(C)c1Cn1cc(N2C(=O)N(CCO)C(C)(C)C2=O)cn1,0,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C(F)(F)F)C3)c2cc1OC,0,0,0,0
CCOc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1OC,0,0,0,0
COc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2)cc1,0,0,0,0
CCCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,0,0,0,0
CC(O)Cc1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
CCOc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1,0,1,0,0
c1ccc(-c2nnc3c4c(c(OCc5ccc6ccccc6n5)nn23)C2CCC4CC2)cc1,0,0,0,1
CCOc1ccccc1CNCCSc1nnnn1C,0,0,0,0
Cc1c(OC(C(=O)O)c2ccccc2)ccc2c1oc(=O)c1ccccc12,0,0,0,0
CCS(=O)(=O)c1ncc(CO)n1CCc1ccccc1,0,0,0,0
COc1nc(N)nc2nc[nH]c12,0,0,0,0
CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccccn1,0,0,0,0
Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Cl)c2)n1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(Cl)c(C(=O)O)c2)c1,0,0,0,0
O=C1CN(Cc2ccn3ncnc(Nc4ccc5c(cnn5Cc5cccc(F)c5)c4)c23)CCN1,0,0,0,0
COc1ccc(C(=O)NC(CO)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1,1,0,0,0
Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCS(=O)(=O)CC5)cc4c3)n2)c1,0,0,0,0
Cn1ccc2cc(NC(=O)Nc3cccnc3)ccc21,1,0,0,0
Cc1ccc(C)c(N2CC(=O)N(c3cc(C)ccc3C)CC2=O)c1,0,0,0,0
C[C@@H]1C(=O)C(C)(C)Nc2ccc3c(c21)[C@H](c1cccc(C(F)(F)F)c1)Oc1ccccc1-3,0,0,0,0
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCCn4cc(CNC(=O)CCC(=O)NC5CCCN(C(=O)c6ccc(NC(=O)c7ccccc7-c7ccccc7)cc6)c6ccccc65)nn4)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,0,0,0,0
CC=CC(=O)OC1C=CC(O)C(OC(C)=O)CCC(=O)OC1C,0,0,0,0
NS(=O)(=O)c1cc(C(=O)Nc2ccc3c(c2)CCC3)ccc1Cl,0,1,0,0
Cc1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12,0,0,0,0
CCOc1ccc(Cc2cc([C@H]3O[C@@H](S(C)(=O)=O)[C@H](O)[C@@H](O)[C@@H]3O)c(OC)cc2Cl)cc1,0,0,0,0
CCc1ccc(Cn2cccc(/C=C/C(=O)NO)c2=O)cc1,0,0,0,1
Nc1n[nH]c2cc(-c3ccc(NS(=O)(=O)c4ccccc4F)cc3)ccc12,0,0,0,0
Cc1ccc2nc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1,0,1,0,0
CCCc1cc(Nc2ccc(C)cc2)n2ncnc2n1,0,0,0,0
COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1,0,0,0,0
CC(C)OC(=O)c1c(NC(=O)C2C=NN3C2=NC(c2ccccc2)CC3C(F)(F)F)sc2c1CCCC2,1,0,0,0
O=C1[C@@H]2CSCN2C(=O)CN1CCc1cccc(F)c1,0,0,0,0
CN(C)c1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,0,0,0,0
Cc1cc(Nc2ccc(Cl)cc2Cl)n2ncnc2n1,0,0,0,0
CCCCC(CC)CNC(=O)CCS(=O)(=O)c1cccc2nonc12,0,0,0,0
COc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc(C(=O)O)c3)n2)cc1,0,0,0,0
CCCCNC(=O)NNC(=O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
CCCc1nn2c(C)c(-c3ccccc3)nc2s1,0,1,0,0
Cc1cc(-c2ccco2)nc(N2CC3CN(C(=O)c4c(F)cccc4-n4nccn4)CC3C2)n1,0,0,0,0
O=c1nc(SCc2ccc(Cl)cc2)[nH]c2ccccc12,0,0,0,0
COC(=O)c1ccc(NC(=O)C2CC(=O)OC2c2ccccc2)cc1,0,0,0,0
COc1ccc(-c2cc(OC(=O)c3cccc(Cl)c3)c3c(C)oc(C)c3c(=O)c2)cc1OC,0,0,0,0
COc1ccc2nc3c(c(NCCNC4=C(Cl)C(=O)c5ccccc5C4=O)c2c1)CCCC3,0,0,0,0
Cc1ccccc1C1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)CC1,0,0,0,0
Cc1ccc2oc(C(=O)N(C)Cc3ccon3)c(C)c2c1,0,1,0,0
COc1ccc(C/C(C)=N/NC(=S)Nc2ccccc2F)cc1,0,1,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3C(F)(F)F)CC2)cc1,0,0,1,0
Cc1cccc(C(=O)OCC(=O)Nc2nccs2)c1,1,0,0,0
Cc1cc(C)n2nc(CCc3ncc(-c4ccccc4)[nH]3)nc2c1,0,0,0,0
O=C(O)c1cccc(NC(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)c1,0,1,0,0
CC(C)(C)OC(=O)N1CCCC1CN=c1cc(Nc2cccc(Cl)c2)nc2/c(=C/c3[nH]c(=O)[nH]c3O)cnn12,0,0,0,0
CC(C)NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21,0,0,0,0
Cc1nn(C(C)(C)C)c(OC(=O)CC(C)C)c1S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc(-c2nc(CCOc3ccc(CC4(C(=O)O)CCCO4)nc3)c(C)o2)cc1,0,0,0,0
Cn1cc(-c2cc(OCC(CO)CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CCCCCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C,0,1,0,0
CC(C(=O)c1ccncc1)c1ccccn1,1,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CCOCCO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCOC(=O)CN(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
CONC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
CC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,0,1,0,0
COc1cccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)c1,1,0,0,0
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(C)C)C(N)=O,0,0,1,0
Cc1cc2ccc(F)cc2nc1NC(c1ccc(C(=O)NCCC(=O)O)cc1)C1CC(C)(C)C1,0,0,0,0
CCOc1ccc(NC(=S)NC(C)CCc2ccccc2)cc1,0,0,0,0
COc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1,0,0,0,0
Cc1cc(Nc2ccc(Br)c(C)c2)n2nc(C)nc2n1,0,0,0,0
CCC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1cc(C)ccc1F,0,0,0,0
CC(=O)c1c(O)cc(C)n(-c2ccc(F)cc2)c1=O,0,0,0,0
CNC(=O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1,0,1,0,0
COn1c(-c2ccc(C)cc2)cc2cc3c(cc21)C(=O)NC3=O,0,0,0,0
c1ccc(CNc2ncnc3c2sc2ccccc23)cc1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(Cl)c12)C(=O)N[C@H](C)C(F)(F)F,0,0,0,0
Nc1cc(=O)nc(SCCNS(=O)(=O)c2ccccc2)[nH]1,0,0,0,0
Cc1c(Cl)cccc1NC(=O)CSc1nnc(C)n1-c1ccccc1,1,0,0,0
COc1ccc2c(c1OC)C(=O)N1c3cccc(Cl)c3C(=O)OC21,0,0,0,0
CCOc1ccccc1Nc1cc(C)nc2nc(C)nn12,0,0,0,0
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2C3CC4CC2CC(Cl)(C4)C3)cc1F,0,0,0,0
CCCCn1c(-c2ccc([N+](=O)[O-])cc2)n[nH]c1=S,0,0,0,0
O=[N+]([O-])c1ccc(SCc2ccco2)cc1N1CCOCC1,0,0,0,0
CC(C)N(C)[C@@H]1CC[C@H](N2CCC(c3nc4c(C(F)(F)F)cccc4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1,0,0,0,0
CNc1nc(-c2cccc(C#N)c2)nc2ccccc12,0,0,0,0
CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])CCc1ccccc1,0,0,1,0
COCCNC(=O)N1CCc2nc(NC(C)C)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
CC1(N2CCc3c(-c4cnc(N)nc4)nc(N4CCOCC4)nc32)CN(S(=O)(=O)C2CC2)C1,0,0,0,0
COc1ccc(OC2CCN(c3nc4c(nc3NC(C)C)CCN(C(=O)N(C)C)C4)CC2)c(F)c1,0,0,0,0
Cc1sc2nc(SCC(N)=O)n(C)c(=O)c2c1C,0,0,0,0
COc1cc2ncn(-c3cc(OCc4cccs4)c(C(N)=O)s3)c2cc1OC,0,0,0,0
O=C1CCCN1CCCNCC(=O)N1c2ccccc2Sc2ccccc21,0,0,0,0
C=C(C)CNC(=S)NN=Cc1ccc(N2CCOCC2)cc1,0,0,0,0
COCc1nc(N2CCN(CCc3ccc(F)c(F)c3)CC2)c2c(n1)c1c(Cl)nccc1n2C,0,0,0,0
COc1ccc(CC(C)N2CCN(Cc3ccccc3)CC2)cc1OC,0,0,0,0
CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
CCCCCCCC/C=C\CCCCCCC(=O)c1nc2ccncc2o1,0,0,0,0
COC1=C2CC(C)CC(OC)C(O)C(C)C=C(C)C(OC(N)=O)C(OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O,0,0,0,0
COc1cc(/C=N/NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)ccc1O,0,1,0,0
CCC=C(C)C1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCCCN(C)C)c(C(=O)O)c2)c1,0,0,0,0
Cc1cc(C)n2nc(CNS(=O)(=O)c3ccccc3)nc2n1,0,0,0,0
Cc1nn(-c2cccc(Cl)c2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12,0,0,0,0
CN(C=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1Cc1ccccn1,0,0,0,0
Nc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,0,0,0,1
CCC(=O)Nc1cc(Nc2c(Cl)ccc3c2OCO3)ccn1,0,0,0,0
CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CCCN(C(=N)N)C3)[C@H]2C(=O)O)CC1)C(C)C,0,0,0,0
CCc1sc(C(=O)N2CCN(CC(=O)Nc3cccc(F)c3)CC2)cc1C,1,1,0,0
C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(Cl)c2)C1=O,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1,0,0,0,0
Cn1c(C(=O)N2CCCC2)cc2c(=O)n(C)c3ccccc3c21,0,0,0,0
CCOC(=O)c1ccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1,0,0,1,0
O=C(c1ccc(Cl)c(Cl)c1)N1CCC(F)(CNCc2cccc(-c3nccs3)n2)CC1,0,0,0,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1Br,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(CCC(=O)O)c2)c1,0,0,0,0
COc1ccc(-c2nc3ccc(C(=O)NCC(OC)OC)cc3nc2-c2ccc(OC)cc2)cc1,1,0,0,0
CCCSc1nc2c(=O)[nH][nH]c(=O)c2n1Cc1ccccc1,0,0,0,0
C=C(COC)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
Cc1nc(CSc2ccccc2)cc(=O)[nH]1,0,0,0,0
C=CC(=O)N1CCC[C@@H](n2nc(-c3cccc4ccccc34)c3c(N)ncnc32)C1,0,0,1,0
O=c1cc(N2CCOCC2)nc2n(Cc3cccc(C(F)(F)F)c3)ccn12,0,0,0,0
COC(=O)[C@]1(CC(C)C)N[C@H](c2ccc(-c3ccc4c(c3)OCO4)cc2)[C@@H]2C(=O)N(C)C(=O)[C@@H]21,0,0,0,0
Fc1ccc(Cn2cc(NCCN3CCC(F)(F)CC3)nn2)cc1F,0,0,0,0
Nc1nc2c(cnn2CCN2CCc3ccc(Cl)cc3CC2)c2nc(-c3ccco3)nn12,0,0,0,0
COC(=O)N/N=C/c1cccc(OCCSc2ccc(Cl)cc2)c1,0,0,0,0
CCCCNC1=NC(=Cc2ccco2)C(=O)N1c1ccccc1,0,0,0,0
COc1cccc(OC)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCCCOc1ccc(CN2C(=O)C(=O)c3cc(C)ccc32)cc1OC,0,0,0,0
CSCCC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCN(C)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2sccc23)cc1,0,0,0,0
COc1ccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)c(OC)c1,1,0,0,0
CCOC(=O)N1CCN(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)CC1,0,0,0,0
O=C(CNC(=S)NC(=O)c1ccc(Br)o1)c1ccccc1,1,0,0,0
COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3cccc(C)c3)cnn2C1c1ccccc1C,1,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nccc(C(=O)O)n1)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
CCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F,0,0,0,0
CNc1nc(Nc2cnn3c2CCCC3)ncc1C(F)(F)F,0,0,0,0
CC1(C)CCC2(C(=O)OC3OC(COC4OC(COC5OC(CO)C(O)C(O)C5O)C(O)C(O)C4O)C(O)C(OC4OC(CO)C(O)C(O)C4O)C3O)C(O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(O)C(O)C6O)C(C)(C(=O)O)C5CCC43C)C2C1,0,0,0,0
COc1cc(-c2cn(C)c(=O)c3ccccc23)cc(OC)c1CN(C)C,0,0,0,0
COC(CNC(=O)c1ccc2c(=O)n(Cc3ccc4c(c3)OCO4)c(=S)[nH]c2c1)OC,0,0,0,0
NC(N)=NCCC[C@@H]1NC(=O)[C@H]2CC=CC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O)C(=O)N2,0,0,0,0
CCc1nc2ccccc2c(C(=O)OCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C,1,0,0,0
CC(C)C1Cc2[nH]c(=O)c(C#N)cc2CO1,0,0,0,0
O=C1C(=Cc2ccc(F)cc2)SC(=S)N1N1CCOCC1,0,0,0,0
O=C(CC1NC2CCCCC2NC1=O)Nc1ccc2c(c1)OCO2,1,0,0,0
CN(Cc1cccc(-n2cccn2)c1)Cc1cn(C)nc1-c1ccccc1F,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(N)cc2)c2ccccc2N(Cc2c(OC)ccc3ccccc23)C1=O,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC2)CC1,0,0,0,0
O=C1CC(=NNC(=O)c2ccncc2)CC(c2ccccc2)C1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](N)CSSC[C@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(C)c1,0,0,0,0
Cc1ccc(C2(C)NC(=O)N(CC(=O)N3CCN(S(=O)(=O)c4ccc(Cl)s4)CC3)C2=O)cc1,1,0,0,0
CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccs2)cc1,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(F)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2OCc2ccccc2)NC(=O)N1,1,0,0,0
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(N)=O,1,0,0,0
Cc1oc(-c2cccc(F)c2)nc1CN1CCCCC1CCc1ccccn1,1,0,0,0
COc1cccc2cc(CC(=O)c3ccc(C)cc3C)c(=O)oc12,0,1,0,0
Nc1nc(N)c2c(n1)CCCC2,0,0,0,0
Cc1ccc2c(c1)N(C)C(=O)C21CCN(CC2CCCCCCC2)CC1,0,0,0,0
COc1ccc(C2NCc3ccccc3-n3cccc32)cc1,0,0,0,0
CS(=O)(=O)CCC(C(=O)n1nnc2ccccc21)N1C(=O)c2ccccc2C1=O,0,0,0,0
CCC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(OC(C)C)cc4)oc3c2)[C@H]1C,0,0,0,0
O=C1c2ccccc2-[n+]2ccc3c([nH]c4ccccc43)c21,0,0,0,0
CCCCCCc1nc(C)c2c(C)nc3ccc(OC)nc3n12,0,0,0,0
C=CCN1C(=O)C(C)NC1=S,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)c1,1,0,0,0
CSc1ccc(C2C(C(=O)c3ccco3)=C(O)C(=O)N2c2nnc(SC)s2)cc1,0,0,0,1
O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCC5)CC3)cc21,0,0,0,0
CCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,0,0,0,0
Cc1ncc(C#Cc2c(C)ncnc2N(C)CC2CCOC2)cc1NS(=O)(=O)c1ccccc1,0,0,0,0
CC[C@@H](Nc1c(Nc2cc(C#N)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
Cc1cccc(NC(=S)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c1,0,0,0,0
COc1cc(-c2ccc3c(c2)C(=O)/C(=C/c2ccsc2)O3)cc(OC)c1OC,0,0,0,0
N#Cc1cnc2c(Cl)cc(NCc3cn(Cc4ccccc4)nn3)cc2c1Nc1ccc(F)c(Cl)c1,0,0,0,0
CCOP(=O)(OCC)C(Nc1cccc([N+](=O)[O-])c1)c1ccc(OC)cc1,1,0,0,0
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
O=S(=O)(c1ccccc1)N1CCC2(CC1)CN(c1ncccn1)C2,0,0,0,0
Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3OC(C)Cn3cccn3)c12,0,0,0,0
O=c1c(NCCc2ccc(Cl)cc2)nccn1-c1ccccc1,0,0,0,0
CN(Cc1ccccc1)Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc(Cl)cc1,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCOCCO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccccc1N1CCN(c2nc(=O)c(C)c(C)[nH]2)CC1,0,0,0,0
CCC(C)(C)NC(=O)C(c1ccc(C)cc1)N(CC1CCCO1)C(=O)CCC(=O)Nc1ccccn1,1,0,0,0
CN1C(=O)/C(=C/c2cn(CC(=O)N3CCCCC3)c3ccccc23)c2ccccc21,0,0,0,0
CCOC(=O)c1c(C)cc2nc(COC(=O)NCCO)n(-c3ccccc3S(=O)(=O)NC)c(=O)c2c1C,0,0,0,0
COc1ccc2[nH]c(Cn3ccc4ccccc43)c(CCNC(C)=O)c2c1,0,0,0,0
CC1CCCC(C)N1C(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC3CCCCC3)cc21,1,0,0,0
CC(C)CC(=O)Nc1cccc(-c2csc(-c3ccccc3)n2)c1,0,0,0,0
CCOC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O,0,0,0,0
Cc1cccc(C(=O)Oc2ccccc2C(=O)N2CCOCC2)c1,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCOC12CCN(c1cccc(F)n1)CC2,0,0,0,0
Cc1cc(C)c2[nH]c(=S)n(CCc3ccc(S(N)(=O)=O)cc3)c(=O)c2c1,0,0,0,0
COc1ccccc1CN1CC2CC(c3cccc(O)c3)N3CCCC23C1=O,0,0,0,0
COc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc(OC)c1,0,0,0,0
COc1ccc(C2CC(O)(c3ccccc3)Oc3cc(OC)ccc32)cc1,0,0,0,0
COc1ccc(OC)c(-c2nc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc3c2[nH]c2ccccc23)c1,1,0,0,0
Cc1cc(Nc2ccc(C(=O)O)c(O)c2)n2ncnc2n1,0,0,0,0
CSc1nc(Nc2ccc3nc(C)cc(N(C)C)c3c2)nc(Nc2ccc3nc(C)cc(N(C)C)c3c2)n1,0,0,0,0
CC(C)(F)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1Nc1cnn(C(F)F)c1,0,0,0,0
Clc1ccc(C2C3CN(CC4CCCCC4)C(c4ccccc4)C34CC2(c2cccnc2)C4)cn1,1,0,0,0
CCCCc1nc2ccccc2c(=O)n1-c1ccccc1O,0,0,0,0
Nc1ncc(-c2cc(N3C[C@@H]4C[C@H]3C[S+]4[O-])nc(N3CC[C@@H](F)C3)n2)cc1OC(F)F,0,0,0,0
CC(/C=N/NC(=O)c1cc(-c2ccc3ccccc3c2)n[nH]1)=C\c1ccco1,1,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(C(F)(F)F)cc1-c1ccncc1,0,0,0,0
O=C1CC(c2ccco2)CC(O)=C1C=NCCN1CCN(C2CC(=O)N(c3ccccc3)C2=O)CC1,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOc2ccc(C)cc21,0,0,0,0
CCOc1n[nH]c(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)c(CC)cc2C2CCC2)n1,0,0,0,0
Cc1cccc(Oc2coc3cc(O)ccc3c2=O)c1,0,0,0,0
Cc1cc(C)c2cc(C(O)c3nnnn3Cc3ccccc3)c(=O)[nH]c2c1,0,0,0,0
O=Cc1c[nH]c2c1ccc1c3cccc(C(F)(F)F)c3[nH]c12,0,0,0,0
CCCCc1nn(CCC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
COc1cc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc(OC)c1,0,0,0,0
CCc1ccc(N=CC23c4ccccc4C(c4ccccc42)C2C(=O)N(c4ccc(OC)cc4)C(=O)C23)cc1,0,0,0,0
CC1(C)CC(=O)c2c3c(n(-c4ccc(C(N)=O)c(N[C@H]5CCOC5)c4)c2C1)CCCC3,0,0,0,0
CCOC(=O)c1c(C)nc2sc3c(c2c1-c1ccc(OC)cc1)NC(c1ccc(OC)cc1)NC3=O,0,0,0,0
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(C)cc3)cs1)C2=O,1,0,0,0
O=C(N/N=C/c1ccc(OC(=O)c2cccs2)cc1)c1cccc(F)c1,1,0,0,0
CC(C)n1cc(C2=NCC(=O)N3CCc4c(I)cccc4C3=C2)cn1,0,0,0,0
Nc1nc2[nH]c3cccc(Sc4ccc5ccccc5c4)c3c2c(=O)[nH]1,0,0,0,0
CC(C)c1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1,0,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1cccc(Cl)c1,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)NC2CCCC2)cn3C)CC1,1,0,0,0
CNc1nc(Nc2cc3c(cc2OC)C(=O)N(C)C3)ncc1C(F)(F)F,0,0,0,0
Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccnc4)nc32)cc1C,0,0,0,0
CCCc1ncc(C[n+]2ccccc2C)c(N)n1,0,0,0,0
O=S1(=O)c2ccccc2N(Cc2cccc(Cl)c2)c2ccccc21,0,0,0,0
N#Cc1ccc(Cn2cnnc2CN(Cc2ccc([N+](=O)[O-])cc2)C(=O)c2ccc3ccccc3n2)cc1,0,0,0,0
OCCN1CCN(c2ncnc3sccc23)CC1,0,0,0,0
CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
CC(=O)C(=NNc1cccc(C)c1)C(=S)Nc1ccccc1,0,0,0,0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1cccc(CCCC2CCCC2)c1,0,0,0,0
Cc1cccc(CNc2cc(-c3cccnc3)ncn2)c1,0,0,0,0
Cc1cc(C)cc(NC(=O)C(OC(=O)c2ccc([N+](=O)[O-])o2)c2ccccc2)c1,1,0,0,0
N#Cc1cc2sc3nnc(-c4ccncc4)n3c2cc1C#N,0,0,0,0
CN1N=C2c3ccccc3CCC2C1c1ccc(Cl)cc1,0,1,0,0
COCCNCC(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
Cc1ccc2c(c1)NC(=O)C(CC(=O)NCCN(CC(C)C)CC(C)C)O2,0,0,0,0
Cc1[nH]c(=O)nc(SCc2cccc(Cl)c2)c1C#N,0,0,0,0
CCCc1cc(=O)n2nc(NCc3ccccc3Cl)nc2[nH]1,0,0,0,0
COCCn1c(SCc2nnc(-c3ccc(OC)c(OC)c3)o2)nc2sc3c(c2c1=O)CCC3,0,0,0,0
Nc1nc(N)c(-c2ccc(NCc3ccccc3)cc2)c(COCc2ccccc2)n1,0,0,0,0
CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2ccc(C(C)(C)C)cc2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1,1,0,0,0
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(F)(F)C3)cc2n1,0,0,0,0
Cn1cc(N2CCN(c3nc(N[C@H]4CCCNC4)c(-c4nc5ccccc5s4)c(=O)[nH]3)CC2)cn1,0,0,0,0
N#CCCn1c(=O)c(-c2ccccc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
COc1ccc2c(Cl)c(C(=O)NCc3ccco3)sc2c1,0,1,0,0
CCCc1n[nH]c(=O)c2c1nnn2Cc1ccccc1F,0,0,0,0
Cc1cc(NC[C@H](C)NS(C)(=O)=O)c2cnn(-c3cccc(C(=O)NC(C)C)c3)c2c1,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CC(O)CO)c5cccc(C#N)c5)nc(N)n4)c3c2)cn1,0,0,0,0
CCC(=O)N1CCc2cc(CNC(=O)Nc3cc(C)ccc3C)ccc21,1,0,0,0
CCCCN(Cc1cccc(O)c1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
CC(C)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
O=C1CN(c2ccccc2)C(=S)N1C(=O)c1ccc(Br)cc1,0,1,0,0
O=C(c1ccc(F)cc1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(OC(C)C)cc3)c2)on1,0,0,0,0
Cc1ccc(S(=O)(=O)NC(C)C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc1,0,0,0,0
CCN1CCCC1Cn1c(-c2ccccc2)nc2c(N3CCOCC3)nc(C)nc21,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(Cl)c(Cl)c3)c2=O)cc1,0,0,0,0
CCN1CCN(c2ccc3c(c2)ncn3-c2ccnc(N[C@@H](C)c3ccccc3)n2)C1=O,0,0,0,0
CCCCn1c(N)c(N(Cc2ccccc2OC)C(=O)c2cc(=O)[nH]c3ccccc23)c(=O)[nH]c1=O,0,0,0,0
CCOc1ccc(/C=N/Nc2cc(=O)n(C)c(=O)n2C)cc1,0,0,0,0
COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(Nc3cccc(OC)c3)nc21,0,0,0,0
COc1ccc2nc(NC(=O)CSc3n[nH]c(N)n3)sc2c1,0,1,0,0
CC(C)(C)N1CCN(c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc2C#N)CC1,0,0,0,0
COc1cccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)c1,0,0,0,0
Cc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC#N)c12,0,0,0,0
C[C@H](Cc1ccc(-c2ccc(C(=O)O)c(OC3CCCCC3)c2)cc1)NC[C@H](O)c1cccnc1,0,0,0,0
CCOC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1,0,0,0,0
CCOc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O,0,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3ccc(O)c(OC)c3)nc2n1,0,0,0,1
Cc1c(Cc2ccc(F)c(C(=O)N3CCN(C(=O)C4(Nc5ccccc5)CCCC4)CC3)c2)n[nH]c(=O)c1C,0,0,0,0
CC(=O)Nc1ccc(NC(=O)CCn2nnc3ccccc32)cc1,1,0,0,0
Cc1cc(C)cc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)c1,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(Sc4ccc(O)cc4)cc3)[nH]c2c1,0,0,0,0
COc1cccc(N2CCN(C(=O)c3ccc(C[S+]([O-])c4cccc(Cl)c4)o3)CC2)c1,0,0,0,0
COc1cccc2c1C(=O)N(CCc1nc3ccccc3c(=O)n1-c1ccc3cnn(C)c3c1)C2=O,0,0,0,0
N#Cc1ccc(CNN2C(=O)c3c(c4c5ccc(O)cc5n(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4c4[nH]c5cc(O)ccc5c34)C2=O)cc1,0,0,0,0
CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN(CC(C)(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1,0,0,0,0
CS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(Br)cc12,0,0,0,0
Cn1cc(CNc2cc(OC[C@@H]3C[C@H]3c3nn(C)c4ccccc34)nn(C)c2=O)cn1,0,0,0,0
O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccccc3F)nc2c1,1,0,0,0
CC(CCc1ccc(O)cc1)OC1OC(COC2OC(CO)C(O)C2O)C(O)C(O)C1O,0,0,0,0
O=C(CSc1nc(-c2cccs2)nc2cc(=O)[nH]n12)Nc1cccc(C(F)(F)F)c1,1,0,0,0
CNc1ccccc1-n1ccc(-c2ccccc2)n1,0,0,0,0
CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCC3CC3)cc2n1,0,0,0,0
Cc1nc(Nc2cnccn2)cc(-c2c(Nc3ccn[nH]3)nc3cccnn23)n1,0,0,0,0
CCOc1ccccc1CNc1ccc(O)cc1,0,0,0,0
COc1ccc(S(=O)(=O)N2CC(C)N(C(=O)N(C)C)C2C)cc1,0,0,0,0
COc1cc2c3c(c1)C(=O)c1ccccc1C3=NCC2,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c(C)n2)CC1,0,0,0,0
Oc1ccccc1/C=N/n1c(-c2cccs2)n[nH]c1=S,0,0,0,0
CC1=C(C(=O)OC2CCCCC2)C(c2ccc([N+](=O)[O-])cc2)C2=C(CC(C)(C)CC2=O)N1,0,1,1,0
O=[N+]([O-])c1ccc(Cl)cc1Sc1nc2ccccc2o1,0,0,0,0
Cc1ccc(NC=C(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)cc1,0,0,0,0
Cc1ccc(C(O)P(=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1,1,0,0,0
c1ccc(CNc2nc3cc4c(cc3s2)C[C@@H]2[C@@H]3CCCC[C@]43CCN2CC2CC2)cc1,0,0,0,0
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C2c3ccccc3CN2C(=O)[C@@H](N)CCCCN)cc1,0,0,1,0
CC(C)(CCCCCc1sccc1CCCc1ccccc1)C(=O)O,0,0,0,0
CN(C)CCCN1c2ccccc2CCc2ccc(CCCOCCCN3c4ccccc4CCc4ccccc43)cc21,0,0,0,0
CSCC[C@H](NC(=O)c1ccc(NCc2cn(CC3CCCCC3)cn2)cc1-c1ccccc1)C(=O)O,0,0,0,0
O=C1c2ccccc2C(=O)C1c1ccncc1,0,1,0,0
CCCN1CNC(=S)N(CC2CCCO2)C1,0,0,0,0
COc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1,0,0,0,0
c1ccc(C2=NC(c3ccccc3)N=C(c3ccccc3)N2)cc1,0,0,0,0
Cc1cc(-c2ccccc2)nc(SC(C(=O)O)c2ccccc2)n1,0,0,0,0
N#C[C@@H]1CCN(C(=O)OCC(F)(F)F)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
C1=C(c2ccc(-c3ccccc3)cc2)Nc2ncnn2C1c1ccco1,0,1,0,0
Cc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2CC(=O)O)c(C)c1,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1Br)c1cc(Cl)ccc1Cl,1,0,0,0
COc1ccc(Br)cc1C1NC(=O)NC(C)=C1C(=O)N(C)C,0,0,0,0
CCc1c(CCCC(=O)O)cccc1-c1ccc(-c2ccc(OC(C)C)c(C#N)c2)cc1,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1-c1cccc(CN2CCC2)c1,0,0,0,0
Cc1cc(C(=O)OCC(=O)N2CCCCCC2)ccc1[N+](=O)[O-],0,0,0,0
Cc1c(C)c2ccc(OCC(=O)Nc3cccnc3)c(C)c2oc1=O,0,1,0,0
CCN(/C(=N/P(=O)(N1CCOCC1)N1CCOCC1)N1CCOCC1)c1ccc(OC)cc1,0,0,0,0
COc1ccc(-c2cc(-c3ccccc3)[nH]c2C(=O)NCc2ccc(C(=O)NCCS)cc2)cc1,0,0,0,1
CCc1nccc(NS(=O)(=O)c2ccc3c(ccc(=O)n3-c3cc(F)c(Br)cc3OC)c2)n1,0,0,0,0
c1nnn(C23CC4CC(CC(C4)C2)C3)n1,0,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
Brc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1,0,0,0,0
CC(Oc1ccccc1)C(=O)N[C@@H]1C(=O)N2[C@@H]1SC(C)(C)[C@@H]2C(=O)O,0,0,0,0
CC1CC(=O)c2cnc(Nc3ccc(Cl)cn3)nc2C1,0,0,0,0
COc1cc2[nH]c3c(=O)n(CCN(C(C)C)C(C)C)cnc3c2cc1OC,0,0,0,0
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(F)ccc21,0,0,0,0
CC(C)c1ccccc1-c1ccc(O[C@@H](Cc2ccccc2)C(=O)O)cc1,0,0,0,0
N#Cc1nc(Cc2cccc3ccccc23)oc1N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
O=c1c2c([nH]c3nc(CCc4ccccc4)nn13)CCC2,0,0,0,0
Cc1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c(C)o1,1,0,0,0
Nc1cccc2nc(C(=O)N3CCN(CCc4ccc(F)cc4F)CC3)cn12,0,0,0,0
CCCOc1ccc(C(C)=O)cc1CSc1nc(=O)cc(O)[nH]1,0,0,0,0
CCCCCCCC/C=C\CCCCCCC(=O)c1nnn(C)n1,0,0,0,0
Cc1ccc2c(c1)nnn2C1CCN(S(=O)(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1,0,0,0,0
O=C1CC(Nc2ccccc2)C(=O)N1c1ccc(N2CCOCC2)cc1,0,0,0,0
CSc1nc(=O)c(CCOC(=O)c2cccc(Cl)c2)c(C)[nH]1,0,0,0,0
COC(=O)C(C(C)=O)C1=C/C(=N\S(=O)(=O)c2ccc(C)cc2)c2ccccc2C1=O,0,0,0,0
CC(=O)c1cc2ccc(-c3ccc(C)cc3)cc2oc1=O,0,0,0,0
Cc1ccc(C(=O)N2CC[C@H]2c2nc(-c3ccccc3OC(F)(F)F)n[nH]2)c(-n2nccn2)c1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(S(=O)(=O)N(C)C)CC1,0,0,0,0
C#CCOCCc1cc(Cl)c(Cc2ccc(CC)cc2)cc1[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,0,0,0,0
CN(C)c1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
Cc1cccc(N2CCN(CCCCCCN3CCN(c4ccnc5ccccc45)CC3)CC2)c1,0,0,0,0
Cc1ccc(C2C=C(c3ccccc3)Nc3nc(NS(=O)(=O)c4ccccc4)nn32)cc1,0,0,0,0
CCOc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(C)c3)c2=O)cc1,0,0,0,0
CCc1nc2sc(C)c(C)c2c(=O)n1CCO,0,0,0,0
CCOc1ccc(OCCN2C(=O)NC3(CCCc4ccccc43)C2=O)cc1,0,0,0,0
COc1ccc(CCNc2ncc(C)n(CC(=O)NCCON=C(N)N)c2=O)cc1OC,0,0,0,0
Cc1nc2ccc(NC(=O)N3CCC(c4ccccc4)C3)cc2nc1C,1,0,0,0
O=C(N[C@H]1CC1c1ccccc1)c1ccc([N+](=O)[O-])cc1,0,1,0,0
CC(C)c1cccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1,0,0,0,0
Cc1ccc(N2C(=O)NC(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1C,0,0,0,0
NS(=O)(=O)Oc1ccc(C(c2ccc(OS(N)(=O)=O)c(Br)c2)n2cncn2)cc1Br,0,0,0,0
CN(C)c1ccc(CC(=O)c2nc3ccccc3s2)cc1,1,1,0,0
Cn1c(C=Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c(=O)n(C)c1=O,0,0,0,0
CCC[C@@H]1NC(=O)[C@@H](C(C)C)OC(=O)[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O,0,0,0,0
CCN(CC)CC1CCC(C(=O)Oc2ccc3nc(S(N)(=O)=O)sc3c2)CC1,0,0,0,0
CN(C)c1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
CC(=O)N1N=C(c2cccs2)CC1c1ccc(C)o1,0,0,0,0
CS(=O)(=O)N1CCC[C@H](Nc2nc(N3CC(C#N)C3)ncc2-c2cnc3[nH]ccc3n2)C1,0,0,0,0
CCNCc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
CCOC(=O)c1ccc(OCCC2CCN(c3ccc(C)nn3)CC2)cc1,0,0,1,0
O=C1NCC2(CC2)c2[nH]c3c(c21)CCc1cnc(-c2ccc(F)nc2)cc1-3,0,0,0,0
Nc1nc2c(c(=O)[nH]1)n(CCOc1ccc(Br)cc1)c[n+]2[C@@H]1O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O,0,0,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1Cl,0,0,0,0
O=c1[nH]c2ccc(OC3CCCNC3)cc2c2c1CSCC2,0,0,0,0
COc1ccc(OCCn2nnc(-c3ccc(Cl)cc3)n2)cc1,0,0,0,0
Cc1ccc(-c2onc3ccc(C(=O)/C=C/N(C)C)cc23)cc1,0,1,0,0
Cc1ccc2c(c1)CNc1ccccc1O2,0,0,0,0
O=C(CCCSc1ccc(Cl)cc1)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O,0,0,0,1
CC(C)Cc1nc2oc3c(Cl)ncnc3c2c2c1CCC2,0,0,0,0
Cc1cccc(N2CCN(C(=O)C(C)n3nc(C)n4c(cc5occc54)c3=O)CC2)c1C,1,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3ccc(Cl)cc3OC)nc2n1,0,0,0,0
CCn1nc(C)cc1C(=O)N1CCCC(Nc2ccc(C(C)C)cc2)C1,1,0,0,0
COc1ccc2c(c1)C1=NN(C(C)=CC(C)=O)C(c3cccc(F)c3)C1CC2,0,0,0,0
CCC(C)NC(=O)CSc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)cn1,1,0,0,0
CC1(C)Cc2c(cnn2-c2ccccc2)C(NC(=O)CCCN2CCCCC2=O)C1,1,0,0,0
COc1ccc(-c2nnc3sc(-c4cccs4)nn23)cc1OC,0,0,0,0
CC(=O)N1Cc2cc([N+](=O)[O-])ccc2Oc2ccccc21,0,0,0,0
Cc1ccccc1[S+]([O-])Cc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)o1,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)(C)C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
FC(F)(F)c1ccc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)cn2)cn1,0,0,0,0
O=C1c2ccccc2S(=O)(=O)N1COc1nc2ccccn2c(=O)c1Cl,0,0,0,0
C=CCOc1ccc(NC(=O)C2CC(=O)N(C(C)C)C2)cc1,0,0,0,0
Cc1nc(-c2cccc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c2)c(Cl)[nH]1,0,0,0,0
CCn1c(-c2ccc([N+](=O)[O-])cc2)n[nH]c1=S,0,0,0,0
COC(=O)c1cnc(SCc2ccc(Cl)cc2)n1C,0,0,0,0
CCn1c(-c2c(N)n[nH]c2C)nc2cnccc21,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nc2)cc1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCC(O)(Cc2ccccc2)CC1,0,0,0,0
CCOc1ccc(C(c2c(O)nc(SC)n(C)c2=O)c2c(O)nc(SC)n(C)c2=O)cc1,0,0,0,0
Fc1ccc(-c2csc(NN=C3CCCC3)n2)cc1,0,0,0,0
NCc1cccc(C2CCN(C(=O)c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)CC2)c1,0,0,0,0
CCCOc1cc(Br)ccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
CCOC(=O)c1cc(-c2ccc(OC)c(S(=O)(=O)NCc3ccccc3Cl)c2)on1,0,0,0,0
Cc1cccc(N2CCN(S(=O)(=O)c3cc(-c4cc(C)no4)ccc3C)CC2C)c1,0,0,0,0
CC(C)NS(=O)(=O)C[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
COC1CN(c2cccc(-c3cc(NC(C)=O)nc(-n4nc(C)cc4C)n3)n2)C1,0,0,0,0
CCCCN(CC)CCCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1,0,1,0,0
CCCCCC1CN(C2CCCCC2)C(=O)C1CC(=O)NCc1ccccc1,1,0,0,0
CC(C)(C)C(Nc1ccc(-n2cnc(C(F)(F)F)c2)nc1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
COc1cc(Nc2cncc(N[C@@H](C)c3ccc(F)cn3)n2)[nH]n1,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3c(Br)cccc23)c2ccccc2N(C(=O)c2ccc(C(C)=O)cc2)[C@H]1C,0,0,0,0
CC1OC(OC(=O)C23CCC(C)(C)CC2C2=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(O)C6O)C(C)(C(=O)O)C5CCC4(C)C2(CO)CC3)C(OC2OC(C)C(OC3OCC(O)C(O)C3O)C(O)C2O)C(O)C1O,0,0,0,0
CNC[C@@H](O)[C@H](c1cccc(F)c1)N(C)c1ccccc1,0,0,0,0
CCCNc1nccc(-c2c(-c3ccc(F)cc3)nc3n2[C@H](CO)CC3)n1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc([S+]([O-])C(F)F)cc3)n2)CCC(NC2CCCCC2)CC1,0,0,0,0
COc1cc2c(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)ncnc2cc1OCCOCCn1ccnc1[N+](=O)[O-],0,0,0,0
CCN(Cc1cc(=O)n2ccsc2n1)Cc1nc(=O)c2cc(OC)c(OC)cc2[nH]1,0,0,0,0
O=[N+]([O-])c1ccc(Cn2ccnc2)c(Oc2ccccc2)c1,0,0,0,0
Cc1c(CC(=O)O)c(-c2ccncc2F)nn1C(c1ccc(F)cc1)c1ccc(F)cc1,0,0,0,0
COC1C=CC=C(C)C(=O)NC2=CC(=O)C(N)=C(CC(C)CC(OC)C(O)C(C)C=C(C)C1OC(N)=O)C2=O,0,0,0,0
Nc1ncc(-c2ccc(-c3ccc(C(F)(F)F)cc3Oc3ccnc(N)n3)cc2F)cn1,0,0,0,0
c1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1,0,0,0,0
CCc1ccc(OCC(=O)N2CCN(CC(=O)Nc3ccccc3Cl)CC2)cc1,1,0,0,0
CCn1c(Cn2nnc(-c3ccccc3)n2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1,0,1,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(CC)CC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1c(Cl)ccc2c1NC(=O)[C@]21[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2[C@@H]2CCCN21,0,0,0,0
O=C(Cc1ccc(Cl)cc1)NCCN1CCN(C(=O)Cc2ccc(Cl)cc2)CC1,1,0,0,0
CCc1nc(-c2cnc(N)c(OC(F)F)c2)cc(C2[C@H]3CN(CC(C)O)C[C@@H]23)n1,0,0,0,0
Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N23)cc1,0,0,0,0
CCOc1ccc2nc(/N=C/c3nc(-c4ccc(Br)cc4)oc3O)sc2c1,1,0,0,0
COc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC1=C(C(=O)N2CCN(c3ccccc3)CC2)C2(CCCCC2)OC1=O,0,0,0,0
COc1ccc(Nc2cc(Nc3cccc(OC)c3)nc(N3CCCC3)n2)cc1,0,0,0,0
Cc1ccccc1N=C(NOCc1ccc(Cl)cc1Cl)c1nonc1N,0,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)C(F)(F)F)CC2)c1F,0,0,0,0
CC1(c2ccccc2)NCCN2C(=O)CSC21,0,0,0,0
CC(/C=C/c1ccccc1)=N/NC(=O)CNC(=O)c1ccc2c(c1)OCO2,1,0,0,0
CCOC(=O)c1cnc(N=CN(C)C)s1,0,0,0,0
COc1cccc2c1C(=O)N1CCNCC21,0,0,0,0
CCOc1ccccc1C(=O)N(CN1CCCC1=O)c1ccc(C)c(Cl)c1,1,0,0,0
COC(=O)c1ccc(NCc2cc(OC)ccc2O)cc1,0,0,0,0
CN1CCN(c2ccnc(N3CCCCC3)c2)CC1,0,0,0,0
C[C@H](NC(=O)N(C)C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1,0,0,0,0
O=C(c1ccncc1)N1CCCC2(CCN(c3ccccc3)C2)C1,1,0,0,0
Cc1ccccc1-c1nn2c(-c3ccccc3)nnc2s1,0,0,0,0
COc1ccc(COC2OCC3(C)C4C5=C(CN3C(=O)OC(C)(C)C)C(C)C(CO)C(CO)C5CCC24)cc1,1,0,0,0
COC(=O)Cc1c(-c2cccs2)nc2ncnc(N)c2c1-c1cccc(Br)c1,0,0,0,0
COCCCN(CC(=O)Nc1ccc(N2CCOCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1,1,0,0,0
CNC(=O)Oc1cccc(CN(CCCOc2ccc3c(=O)c4ccccc4oc3c2)C(C)C)c1,0,0,0,0
Fc1ccc(-c2csc(NN=C3CCCCCC3)n2)cc1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCCC2c2cccs2)cc1,0,0,0,0
Cn1cccc1C(=O)N1CCCC2(CCN(c3ccncc3)C2)C1,0,0,0,0
Cc1cc(C)n(CCOc2nonc2N)n1,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)c(F)c3)c12,0,0,0,0
O=C(NN=Cc1ccccc1O)c1cc(-c2ccc(Cl)cc2Cl)n[nH]1,1,0,0,0
COC(=O)c1cccc(NC(=O)NC(=O)c2ccccc2Cl)c1,0,1,0,0
CC1CCC(=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)CC1,1,1,0,0
CCOC(=O)C1(Cc2ccccc2)CCCN(S(=O)(=O)N(C)C)C1,0,0,0,0
COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cncc3ccccc23)cc1,0,0,0,0
O=C(OCC(COC(=O)c1ccccc1)(COC(=O)c1ccccc1)COC(=O)c1ccccc1)c1ccccc1,0,0,0,0
O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(F)c(Cl)c3)ccc2O1,0,0,0,0
Clc1cccc(Nc2nc(-c3ccncc3)no2)c1,0,0,0,0
Nc1cc(OC(=O)c2ccccc2Br)nn1S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccccc1CNCc1cccc(Oc2ccccc2)c1,0,0,0,0
CC(C(=O)NC(=O)NC1CCCCC1)N1CCN(c2ccccn2)CC1,1,0,0,0
Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(CC(=O)Nc3sccc3C#N)CC2)c1C,1,0,0,0
COC=CC=Cc1nnn(-c2ccc(Cl)cc2)n1,1,0,0,0
CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN(C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N,0,0,1,0
Cc1cccc(S(=O)(=O)NC2CC(c3ccc4c(n3)n(C)c(=O)n4CC(C)(C)C)CCC2(C)C)c1,0,0,0,0
Cc1cc2c(cc1-c1ccc(NCc3ccccc3F)nc1)OC(F)(F)O2,0,0,0,0
NC(=O)c1nnsc1-c1ccc(-c2snnc2C(N)=O)cc1,0,0,0,0
CC(C)N1C(=O)C(=NNc2ccc(Cl)nn2)c2ccccc21,0,0,0,0
CN(C)c1ncc2nc(-c3cccc(C#N)c3)c(=O)n(CCC#N)c2n1,0,0,0,0
COC1C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1,0,0,0,0
COc1cc(CNCc2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
c1ccc2ncncc2c1,0,0,0,0
O=C1NCC2c3c(cccc31)CCN2C(=O)C1CNC1,0,0,0,0
Cc1cnc(NS(=O)(=O)c2ccccc2)c(C)n1,0,0,0,0
O=C(c1cccc(F)c1F)N1CCCC1,0,0,0,0
CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)cc2)c1=O,0,0,0,0
CCCCc1nc2ccn(Cc3ccccc3C(=O)OCC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
COC(=O)c1cccc(C)c1-n1ccc(CN2CCN(c3ccccc3OC)CC2)c1,0,0,0,0
NCCCC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,0
CC1=CC(=O)[C@H]2C(C)(C)CCC[C@]2(C)[C@@]1(O)CO,0,0,0,0
CSC(=O)OCC1=CC2OC(=O)C3=COC(OC4OC(CO)C(O)C(O)C4O)C1C32,0,0,1,0
CCN(CC)C(=O)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CC1(c2nnnn2Cc2ccccc2)CCC(=O)N1C1CC1,0,0,0,0
Cc1ccc2ncc(S(=O)(=O)c3ccc(C(C)C)cc3)c(O)c2c1,0,0,0,0
S=C(NCCCN1CCOCC1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1,0,0,0,0
CS(=O)(=O)N[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1,0,0,0,0
O=C(Nc1ccccc1)Nc1ccccn1,0,1,0,0
CN(C)S(=O)(=O)NCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1,0,0,0,0
CCCc1nc(Cl)c(C#N)c2c1CCCC2,0,0,0,0
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)cc2)n(C)c1=O,1,0,0,0
CC1(C)CC[C@@H](c2cc(F)cc(F)c2)N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)C1=O,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cc(F)ccc3F)c(F)c2)CC1,0,0,0,0
O=C(O)CC1S/C(=N/N=C/C=C/c2ccccc2[N+](=O)[O-])NC1=O,0,0,0,0
CCCN1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0,0,0,0
O=C1CCc2cc(S(=O)(=O)NC(C(=O)N3CCN(c4ccccn4)CC3)c3ccccc3)ccc2N1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)N2CCN(C(=O)c3cc(=O)[nH]c4ccccc34)CC2)c(C)c1,0,0,0,0
COc1ccc(-c2noc(=O)n2Cc2cc(C)ccc2C)cc1,0,0,0,0
S=c1[nH]nc(-c2ccco2)n1-c1ccc(Cl)cc1,0,0,0,0
CCN(CC)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O,0,0,0,0
CC(Cl)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
O=C(c1ccc(F)cc1)C1CCN(C(=S)NCC2CCCO2)CC1,0,0,0,0
Nc1nc(N)c(-c2ccc(NCc3cc(F)c(S(=O)(=O)C(F)(F)F)c(F)c3)cc2)c(COCc2ccccc2)n1,0,0,0,0
Cc1ccc2c(c1)cc(C(=O)N1CCN(c3ccccn3)CC1)n2C,0,0,0,0
COCCNc1nc(C)c(C(C)=O)s1,0,0,0,0
CC1CN=C(Nc2ccc(F)cc2)S1,0,0,0,0
Cc1cccc(C)c1NC(=O)Cn1nnc(-c2ccc(N3CCOCC3)cc2)n1,1,0,0,0
O=c1c(NCc2ccccc2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,0,0,0,0
CCC(Nc1nc(=NC2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccc2c(c1)OCCO2,0,0,0,0
COc1ccc(N2CCC(CNC(=S)Nc3c(C)cccc3C)C2)cc1,0,0,0,0
NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)cc1Cl,0,0,0,0
CC[C@@H](c1ncccn1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
COc1cc(OCc2csc(-c3ccc4c(c3)OCO4)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CS(=O)(=O)Nc1ccc(CCCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cc1,0,0,0,0
Cc1ccc2[nH]c(-c3ccccc3)cc(=O)c2c1,0,1,0,0
CC(C)CC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,1,0,0,0
COc1cc2c(cc1OC)C(CCc1ccccc1)N(C=O)CC2,0,0,0,0
c1ccc2cc(COC3CCNCC3)ccc2c1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)Nc1nc3c(c(N)c1[C@H]2c1ccc(F)cc1)CCCC3,0,0,0,0
Cc1ccccc1N1CCN(Cc2nc(Cc3ccccc3F)no2)CC1,1,0,0,0
Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCO3)cc1,0,0,0,0
CCC1C(=O)NCCN1C(=O)c1cccc(OC2CCN(S(=O)(=O)N(C)C)CC2)c1,0,0,0,0
COc1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1,1,0,0,0
N#CCSc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
Nc1ncnn2c(C(O)C3CCOCC3)cc(-c3cc(F)c(CO)c(F)c3)c12,0,0,0,0
O=S1(=O)C=C(SCc2ccc(F)cc2)Nc2ccccc21,0,0,0,0
CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1,0,1,0,0
CN1CCC(Oc2cc(OCCF)cc3ncnc(Nc4c(Cl)ccc5c4OCO5)c23)CC1,0,0,0,0
C=CC(=O)N[C@@H]1CCN(c2nc(Nc3ccc(N4CCN(C)CC4)cc3)c3ncn(C(C)C)c3n2)C1,0,0,1,0
CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2C)CC1,0,0,0,0
Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c13)NC2=O,0,0,0,0
Cc1c(N2CCN(C)CC2)c(=O)oc2cc(OCCc3cccs3)ccc12,0,0,0,0
O=C(CSc1nc(-c2cccs2)nc2cc(=O)[nH]n12)Nc1ccccc1,1,0,0,0
O=C(c1cccc(C(F)(F)F)c1)n1cc(-c2ccc(Cl)nn2)c2ccccc21,0,0,0,0
CC(=O)COc1ncnc2c(Cl)cc(Cl)cc12,0,0,0,0
CC1CCC/C1=N\Nc1nc(-c2ccc(F)cc2F)cs1,0,0,0,0
Cc1ccc(/C=N/n2c(-c3ccc(Cl)cc3)n[nH]c2=S)s1,0,0,0,0
O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(c2ccccc2)CC1,0,0,0,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2cc(Cl)c(OC)cc2OC)CC1,1,0,0,0
O=C(O)c1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
COc1cc(-n2c(=O)c3ccccc3n(Cc3cccc(F)c3)c2=O)cc(OC)c1OC,0,0,0,0
Clc1cccc(Cl)c1/C=C/c1ccn[nH]1,0,1,0,0
O=S(=O)(O)c1ccc(N2N=C(c3ccccc3)CC2c2ccccc2)cc1,0,0,0,0
CCOC(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1,0,0,0,0
CCC(=O)Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1C(C)c1ccccc1,0,0,0,0
C=CCOc1ccc(C(c2c(O)nc(SC)[nH]c2=O)c2c(O)nc(SC)[nH]c2=O)cc1,0,0,0,0
CC(=O)N1CCN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)CC1,0,0,1,0
CN(C)c1ncc2c(n1)c(NC1CC1)nc1cc(C(=O)O)ccc12,0,0,0,0
COc1ccc(Nc2nc(C)c3ccccc3n2)cc1,0,0,0,0
CCn1c(CN(Cc2ccccc2)Cc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21,0,0,0,0
Clc1ccccc1CSC1=NCCN1,0,0,0,0
O=c1nc[nH]c2scc(C3COc4ccccc4O3)c12,0,0,0,0
CNc1nc(-c2ccccc2OC)nc2ccccc12,0,0,0,0
O=S(=O)(N/N=C\C=C\c1ccccc1)c1ccccc1,0,0,0,0
COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1,0,0,0,0
O=C(Nc1cccc2ccccc12)c1nn(C23CC4CC(CC(C4)C2)C3)cc1Br,1,0,0,0
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(C)c1,0,0,0,0
CC(C)n1nc(C2=NOC(c3ccccc3)C2)c2c(N)ncnc21,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(N3CCCC3)c(NC(=S)Nc3cccc(C)c3C)c2)cc1,1,0,0,0
Cc1cc(-n2cnnn2)ncc1CC(=O)N1CCN2C[C@@H](c3ccc4c(c3)CCOC4=O)OC[C@@H]2C1,0,0,0,0
Cc1cccc(N2CCN(C(=O)c3ccccn3)CC2C)c1,0,0,0,0
O=c1c2ccccc2nc(-c2ccco2)n1-c1ccccn1,0,0,0,0
C=CCC(Nc1ccccc1)c1ccc(OC)c(OC)c1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1C,0,0,0,0
C=CC(=O)Nc1cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)C(C)C5)cc4OC)nc32)cc(C(F)(F)F)c1,0,0,1,0
Cn1c(=O)[nH]c2cc(Cl)cnc21,0,0,0,0
CS(=O)(=O)NN1C(=O)c2ccccc2NC12CCCC2,0,0,0,0
N#CCc1c(C#N)c(N)nc(N2CCCC(O)C2)c1C#N,0,0,0,0
CC(=O)Nc1ccccc1OP1(=O)COc2ccccc2OC1,0,0,0,0
Cc1c(-c2ccccc2Cl)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
O=[N+]([O-])c1cnc2ccc3ccccc3c2c1,0,0,0,0
CCCCNC(=O)C1Cc2cc(S(=O)(=O)N3CCCCC3)ccc2N1C(C)=O,0,0,0,0
C=CC(=O)N1CC[C@@H](Nc2n[nH]c3ccc(O[C@H](C)c4c(Cl)cncc4Cl)cc23)C1,0,0,1,0
COC1CCCCC(C)=CC2C=C(C)C(C)C3C(CC(C)C)NC(=O)C23C(=O)C1,0,0,0,0
CCCCCCN(CCCCCC)C(=O)Cc1c(-c2ccc(F)cc2)[nH]c2ccccc12,1,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc(NS(C)(=O)=O)c2)n1,0,0,0,0
COC(=O)c1sccc1NC(=S)Nc1cc(C)ccc1OC,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(CNC(=O)C(C)C)cc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CC12CN3CC(C)(CN(C1)C3c1ccc(Br)cc1O)C2,0,0,0,0
Cc1cc(=O)n2nc(N3CCCC(C(=O)N4CCc5ccccc54)C3)sc2n1,1,0,0,0
CCCN(CC1CC1)c1nc(N)c2c(N)nc(OC)cc2c1C#N,0,0,0,1
CC(C)(O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(NC=O)cc12,0,0,0,0
c1ccc2oc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)cc2c1,0,0,0,0
CC(C)n1cnc2cnc(NC(=O)N3CCCc4cc(CN5CCCC5=O)c(C=O)nc43)cc21,0,0,0,0
CCCCCc1nn2cc(-c3ccccc3)nc2s1,0,1,0,0
Cc1ccc(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)cc1,0,0,0,0
CCOc1c(N(C)CCC2CN(C(=O)OCc3cc(Cl)cc(Cl)c3)CCO2)c(=O)c1=O,0,0,0,0
O=C(O)c1cc(-c2ccc(OC3CCCC3)c(Cl)c2)ncn1,0,0,0,0
O=S(=O)(c1cccs1)N1CCCc2cc(-c3cccnc3)ccc21,0,0,0,0
CN1CCN(c2cnc3ccccc3n2)CC1,0,0,0,0
COC(=O)c1ccccc1NC(=O)C1CCN(C(=O)N2CC(C)Oc3ccccc32)CC1,0,1,0,0
Cc1cccn2nc(CCc3nc(-c4cccnc4)cn3C)nc12,0,0,0,0
C[C@H]1Cc2cc(C3CN4CCN(C(=O)Cc5ccc(-n6cnnn6)nc5)CC4(C)CO3)ccc2C(=O)O1,0,0,0,0
O=S(=O)(N=C(c1ccc(F)cc1)N1CCCCC1)c1ccc(Cl)cc1,0,0,0,0
CC(Cc1n[nH]c(=O)c2c1CCCC2)c1ccc(F)c(-c2cccc(C(=O)N3CCOCC3)c2)c1,0,0,0,0
Nc1ccc2cccc(O[C@@H]3CCN(Cc4ccc5c(c4)OCO5)C3)c2n1,0,0,0,0
CCCOc1ccc(S(=O)(=O)N2C/C(=N\OC)C[C@@H]2C(=O)NO)cc1,0,0,0,1
COc1ccccc1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C,0,0,0,0
C=CCNC(=S)NNC(=O)c1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O,0,0,0,0
COc1ccc(C(=O)O/N=C(/C)c2cccs2)cc1,0,1,0,0
CC(C)(C)OC(=O)N1CCC(Sc2ncnc3c2cnn3-c2ccc(S(C)(=O)=O)cc2F)CC1,0,0,0,0
CCc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O,0,0,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1OC,0,0,0,0
N/C(=N\OC(=O)Oc1ccccc1)c1ccc(Br)cc1,0,0,0,0
Cc1c(C)c2ccc(NCc3ccccc3O)cc2oc1=O,0,0,0,0
Cc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)c(C)c1,0,0,0,1
Cc1ccc2oc(N3C(=O)NC4CCCCCC43)nc2c1,0,0,0,1
Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1,1,1,0,0
CN1CC(=O)N2[C@@H](c3ccc(Cl)cc3Cl)c3[nH]c4ccccc4c3C[C@H]2C1=O,0,0,0,0
N#Cc1c(F)cccc1N1CCOCC1,0,0,0,0
CCCCOc1cc(NC(=O)N2CCCc3ccc(C(=O)C(F)(F)F)nc32)ncc1C#N,0,0,1,0
CCOC(=O)C1C(O)CC2c3ccccc3-c3ccccc3C21,1,0,0,0
CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
CCCNc1nnc(Cc2c(Cl)cncc2Cl)c2ccc(OC)cc12,0,0,0,0
O=C1CCc2cc(S(=O)(=O)NCCC(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc2N1,0,0,0,0
COc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@@H](C)C(=O)NCC(F)(F)F)c12,0,0,0,0
CCOc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,0,0,0,0
C[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)CO)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccccc1-c1ccc(S(=O)(=O)N[C@H]2CCN(Cc3cccc(C(=N)N)c3)C2=O)cc1,0,0,0,0
CC=CC(=O)Nc1cccc(C2=NOC3(C2)CC(C(N)=O)N(C(=O)c2ccccc2C(=O)c2ccccc2)C3)c1,1,0,0,0
CCOc1ccc(-c2cc3c(ncn3CCN(C)C)c(C#N)n2)cc1C(F)(F)F,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Br)c4)cn3)[C@H]12,0,0,0,0
COc1ccc(CCN2C(=O)CC(Cc3ccccc3)C2=O)cc1OC,0,0,0,0
C[C@@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,0,0,0,0
Cc1ccc(C2=NC(=CNc3ccc(O)cc3)C(=O)O2)cc1,0,0,0,0
COc1ccc(-c2ccc3c(N)c(C(=O)NC(C)C)sc3n2)cc1OC,0,1,0,0
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\O)C[C@@H]2C(=O)NO)cc1,0,0,0,1
O=c1[nH]c2c(c(=O)[nH]1)CCCCCC2,0,0,0,0
c1ccc(C2CCc3cc(Oc4ncc(CN5C6CCC5CC6)s4)ccc3O2)cc1,0,0,0,0
C=C(C)C1CC=C(C)/C(=N/NC(=O)c2cccs2)C1,0,1,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)c(O)c2n(CCC)c1=O,0,0,0,0
CCCCc1nc2ccn(Cc3ccccc3N)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
C=CCNC(=O)C1N2C(=O)c3ccccc3C2SC1(C)C,0,0,0,0
CC(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cnn2-c2cccc(Cl)c2)CC1,0,0,0,0
CSc1nc(=O)c(C(c2ccc(O)cc2)c2c(O)[nH]c(SC)nc2=O)c(O)[nH]1,0,0,0,0
COc1ccnc(Nc2cc(C)cc(-c3cccc(CCC(=O)O)c3)c2)n1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1Br,0,0,0,0
Cc1ccc(OCC(=O)O/N=C(\N)c2ccncc2)c(C)c1,0,1,0,0
N#CCC1(n2ccc(-c3ncnc4[nH]ccc34)c2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1,0,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3ccc(OC)c(OC)c3)nc2n1,0,0,0,0
CC(=O)N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3)cncc21,0,0,0,0
N[C@H]1CCCCCC[C@@H](C(=O)NCc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,0
Nn1c(SCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2cc([N+](=O)[O-])ccc2c1=O,0,0,0,0
C[C@H](c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1)N1CC(c2ccncc2)C1,0,0,0,0
CN(C)C=CC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1,0,0,0,0
CC(=O)c1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,0,0,0,0
CCCn1cc(-c2cccnc2)nc1CCc1nc2cccc(C)n2n1,0,0,0,0
Cc1nn(-c2ccccc2)c(N2CCCC2)c1C=NN=C(S)Nc1ccccc1C(F)(F)F,1,0,0,0
Cc1n[nH]c(C)c1-c1cc(-c2c(C)noc2C)cc2[nH]c(NC3CC3)nc12,0,0,0,0
Clc1ccc(-c2nnnn2Cc2cccnc2)c(Cl)c1Cl,0,0,0,0
CC1CCN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)CC1,0,0,0,0
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1,0,0,0,0
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N3CCC[C@H](CN(C)S(C)(=O)=O)C3)c2[nH]1,0,0,0,0
O=C(CCNC(=O)c1ccccc1)NCc1ccccc1F,0,1,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Cl)cc1,1,0,0,0
O=C1OCC(c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)c(Cl)c3)c2n1,0,0,0,0
COc1ccc(OC)c(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1,0,0,0,0
Cc1cccc2[nH]c(-c3ccc(NC(=O)c4ccco4)cc3)nc12,0,1,0,0
Cc1ccccc1Cc1c(C)nc2ncnn2c1C,0,0,0,0
O=C(Cc1ccc(Cn2c3ccccc3c3ccccc32)cc1)NO,0,0,0,0
CC(C)Oc1cc2c(-c3cc(N4CCOCC4C)ncn3)n[nH]c2cc1F,0,0,0,0
COc1cc(SC)ccc1C(=O)Nc1nccs1,0,1,0,0
C[C@@H](NC(=O)CCc1ccc(-c2ccc(CCN3CCC[C@@H]3C)cc2)cc1)C(=O)O,0,0,0,0
Cc1cc(N2CCOCC2)cnc1NC(=O)c1cc(C(=O)NCc2ccc(F)c(F)c2)c(F)cc1Cl,0,0,1,0
O=C(O)Cc1cn(C2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)c2ccccc12,0,0,0,0
COc1cc(C)ccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O,0,0,0,0
Cc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn23)cc1,0,0,0,0
Cc1c(C(=O)O)oc2c1C(=O)CC(C)(C)C2,1,0,0,0
Cc1ccc2oc(=O)cc(CN3CCOCC3)c2c1,0,0,0,0
Cc1ccc(Nc2nc(N)nc(CN3CCN(Cc4ccc5c(c4)OCO5)CC3)n2)cc1C,1,0,0,0
C=CCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2C)C1=O,0,0,0,0
CCCCN1C(=O)CC(Sc2ncccc2C(=O)O)C1=O,0,0,0,0
O=C1C(O)=CC(=Nc2ccc(F)cc2)c2ccccc21,0,0,0,0
CNCCCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
Cc1ccc(Cl)cc1-c1[nH]c(-c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3)n2)cc1C(N)=O,0,0,0,0
CCc1ccc(C2=NN(C(C)=O)C(c3ccco3)C2)cc1,0,1,0,0
C/C(NNC(=O)c1ccncc1)=c1/cc2c(oc1=O)=CC(=O)C=C2,0,0,0,0
O=C1CSC(=S)N1/N=C/c1ccc(Cl)c([N+](=O)[O-])c1,1,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CCCCNC(=O)CC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc2c[nH]cn2)[C@H](C)O)[C@H](C)O)C(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)C(C)C,0,0,0,0
Cc1ccc2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2n1,0,0,0,0
c1cncc(-c2noc(CCCCN3CCCCC3)n2)c1,0,0,0,0
Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(Br)cc3Cl)s2)cs1,0,0,0,0
COc1cc2ncnc(Nc3ccc4c(c3)CCC4)c2cc1OC,0,0,0,0
C[C@](O)(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,0,0,0,0
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C1CSC2(C)CCC(=O)N12,1,0,0,0
O=c1nc(N2CCOCC2)nc(N/N=C/c2ccc3c(c2)OCO3)[nH]1,0,0,0,0
O=C1C2C3C=CC(C3)C2C(=O)N1c1ccc(S(=O)(=O)Nc2nccs2)cc1,0,0,0,0
O=C1NC(=O)C2(CCC(=O)N2c2ccc(Br)cc2)C(=O)N1,0,0,0,0
COc1ccc(CN2CCN(Cc3cccc(F)c3)CC2)cc1OC,0,0,0,0
CCOC(=O)CCNC(=O)c1ccc(C(Nc2cnc(-n3cc(C(F)(F)F)cn3)nc2)C2CC(C)(C)C2)cc1,0,0,0,0
O=C(Cc1ccccn1)N[C@H](/C=C/S(=O)(=O)c1ccccc1)CCc1ccccc1,0,0,1,0
COc1ccc(-c2c(C)noc2[C@@H]2C3CCC(C[C@@H]2c2ccc(Cl)cc2)N3C)cc1,0,0,0,0
COc1cc2c(CN3CCOCC3)c(C)c(=O)oc2c(C=O)c1O,0,0,0,0
O=C1N=C(c2ccccc2)NC1(NS(=O)(=O)c1ccccc1)C(F)(F)F,0,0,0,0
CC(=O)NC[C@H](NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(N)=O)C(C)C)C1CCCCC1,0,0,1,0
COc1cc2[nH]c3c(c2cc1-c1cnco1)CCCC(=O)C3,0,0,0,0
CCCCC(=O)NC(=S)Nc1nnn(CCC)n1,0,0,0,0
Cc1ccsc1-c1cc(C(=O)O)c2c(ccc3ccccc32)n1,0,1,0,0
O=S1(=O)Cc2ccccc2N1CCCN1CCN(Cc2ccc(Cl)cc2)CC1,0,0,0,0
c1ccc(N2CCN(CCCCCN=C3COc4ccccc4N3)CC2)cc1,0,0,0,0
COCCN(c1cccnc1)P(=O)(c1ccccc1)c1ccccc1,0,0,0,0
COc1ccc(-c2c[nH]c3ncc(-c4cnc(N)nc4)cc23)cc1OC,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1ccccc1[N+](=O)[O-],0,0,0,0
CCCCNC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O,0,0,0,0
CCC(=O)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1,0,0,0,0
O=C1C(c2ccc(O)cc2)=C(Br)c2cc(O)ccc21,0,0,0,0
CC1CCN(C(c2cc3cc4c(cc3[nH]c2=O)OCO4)c2nnnn2CC2CCCO2)CC1,0,0,0,0
COc1cc(CN(C(=O)c2ccccc2)c2ccccn2)cc(OC)c1OC,0,0,0,0
O=C(O)CCCN1C(=O)/C(=C\C(Cl)=C\c2ccccc2)SC1=S,0,1,0,0
Cc1cc(N2CCOCC2)ccc1Nc1nc(CC2CCCCC2)c2[nH]cnc2n1,0,0,0,0
CC1CCc2nc(S(C)(=O)=O)nc(C(F)(F)F)c2C1,0,0,0,0
O=C(O)C1CSC2c3ccccc3C(=O)N12,0,0,0,0
CCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
COc1ccc(-c2csc3[nH]cnc(=O)c23)cc1OC,0,0,0,0
O=C1c2ccccc2NC(c2c[nH]nc2-c2ccc(Cl)cc2)N1O,0,0,0,0
C=CCOC(=O)c1cn(CC)c2nc(C)ccc2c1=O,0,0,0,0
Cc1cc(Nc2nc(Sc3ccccc3Cl)cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
Fc1nc(F)c(F)c(NCCCNc2c(F)c(F)nc(F)c2F)c1F,0,0,0,0
Clc1ccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,1,0,0,0
Cc1ccc(S(=O)(=O)N=C(c2ccc(Cl)cc2)N2CCOCC2)cc1,0,0,0,0
COC(=O)CNC(=O)c1c(-c2ccccc2Cl)noc1C,0,0,0,0
O=c1[nH]c2cc3c(cc2c2c1[C@@H](N1CCN(Cc4ccccc4I)CC1)CCC2)OCO3,0,0,0,0
COc1ccc2c(c1)C1C(CO2)C(c2ccccc2)C2(C)C(=O)Nc3cc(F)c(F)cc3C(=O)N12,0,0,0,0
CN(CCCCCCCCCCCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1ccccc1,0,0,0,0
CCc1nc(NCCC(C)C)c(C#N)c2c1CCCC2,0,0,0,0
CC(C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1,1,0,0,0
CC1CCc2c(sc(N)c2C(N)=O)C1,1,0,0,0
CC1=C(N2CCC3(CCN(C[C@H](O)c4ccc5c(c4)-c4nnnn4C5)CC3)C2=O)COC1=O,0,0,0,0
CN1c2ccc(OC(=O)NCCN3CCOCC3)cc2CN2CCc3ccccc3C21,0,0,1,0
Cc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1,0,0,0,0
Cc1ccc2c(c1)NC(c1cccs1)C1=C(CC(C)(C)CC1=O)N2,0,0,0,0
O=C1C(=O)N(C2CCN(C(=O)c3ccccc3F)CC2)CCN1Cc1ccc(F)cc1,0,0,0,0
COc1ccc(NC(=O)Nc2ncccc2C)cc1,0,1,0,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,0,0,0,0
CCOc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1OC,0,0,0,0
C=CCOc1ccc(CNc2ccc(NC(=O)CC(C)C)cc2)cc1OC,0,0,0,0
COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/C(=O)OC(C)(C)C)cc2)C(=O)c2ccccc2)c1,0,0,0,0
COC(=O)C1C2CCC(CC1c1ccc(F)cc1)O2,0,0,0,0
Cc1ccc(-n2c(O)c(/C=N/c3ncc(Br)cc3Br)c(=O)[nH]c2=O)cc1,0,0,0,0
Cc1csc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)n1,1,0,0,0
O=Cc1ccc(N2CCCC2)c(F)c1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H](O)[C@@H](N4CCCC4)C3)cc2F)cn1,0,0,0,0
O=C(c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1Nc1ccc(NCCO)nc1)C1CC1,0,0,0,0
COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1C,0,0,0,0
CC(C)CCNC(=O)NC(=O)CSc1nnc2ccccn12,0,0,0,0
CCOC(=O)c1ccccc1NC1c2ccccc2C(=O)N1C1CCN(C(=O)OCC)CC1,1,0,0,0
Cn1cc(CN2CCN(CCc3ccccc3)C(CCO)C2)cn1,0,0,0,0
Cc1ccc(O)cc1Nc1cc(OCCN2CCN(C)CC2)nc(-n2cnc3ccccc32)n1,0,0,0,0
O=c1[nH]c(=S)n(-c2ccc(Br)cc2)c(O)c1C=Nc1ccc(N2CCOCC2)cc1,0,0,0,0
N/C(=N\OC(=O)COc1ccc(Br)cc1Cl)c1ccncc1,0,1,0,0
NC(=O)c1ccc2nc(-c3ccc(Sc4ccc(OC(F)(F)F)cc4)cc3)[nH]c2c1,0,0,0,0
OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1Cl)C(F)(F)F,0,0,0,0
CC1=CC(=O)N(c2cccc(C(F)(F)F)c2)C1c1ccc(Cl)cc1,0,0,0,0
O=C1CCN(Cc2ccc(O)cc2)CCN1[C@H](CO)c1ccccc1,0,0,0,0
COC(=O)c1[nH]c(=O)c2ccccc2c1OCc1ccccc1,0,0,0,0
CCCC(=O)Nc1[nH]nc2ncc(B3OC(C)(C)C(C)(C)O3)cc12,0,0,0,0
CCOC(=O)c1ccc(-n2c(C)nc3ccc(Br)cc3c2=O)cc1,0,0,0,0
CCC(C)(C)n1nnnc1C(c1cc2cccc(C)c2[nH]c1=O)N1CCN(C(=O)c2ccco2)CC1,1,0,0,0
O[C@@H]1[C@@H]([C@H](O)c2ccccc2)CNC[C@H]1O,0,0,0,0
Cc1ccc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1,0,0,0,0
O=C(O)CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
COc1ccccc1N1CCN(CCCCOc2c(C)cccc2C)CC1,0,0,0,0
CCN1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1,0,0,0,0
CCOc1c(Br)cc(C=C2N=C(C)OC2=O)cc1Br,0,0,0,0
COc1ccc(OC)c(C(=O)CSc2nccc(-c3ccc(Br)cc3)n2)c1,1,0,0,0
C=CCC1(CC(C)C)C(=O)NC(=O)NC1=O,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)s1,0,0,0,0
COC(=O)c1ccc2c(c1)S(=O)(=O)NC(=NCCCN1CCOCC1)S2,0,0,0,0
Nc1c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc2n1N=Cc1ccc(O)c(O)c1,1,0,0,0
O=c1cc2nc(-c3ccccc3F)nc(SCc3ccc(Br)cc3)n2[nH]1,0,0,0,0
CC(=O)Nc1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccc(OC)cc1,0,0,0,0
C[C@H](NCCn1cnc2c1c(=O)n(C)c(=O)n2C)[C@H](O)c1ccccc1,0,0,0,0
O=C(c1ccc(N2CCCC2)nc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1,0,0,0,0
COc1ccc(C)n2nc(CCc3ncc(-c4cccs4)[nH]3)nc12,0,0,0,0
CC(C)N1CCN(C(=O)c2ccc(CN3CCC(F)CC3)cc2)CC1,0,0,0,0
Cc1ccc(-c2csc(NN=Cc3ccco3)n2)c(C)c1,1,0,0,0
O=C1CN(N=CC=Cc2ccc([N+](=O)[O-])o2)C(=O)N1,0,0,0,0
Oc1ccc(CCCCc2ccc(Cl)cc2)cc1O,0,0,0,0
CCSc1nnc(NC(=O)C(Cc2ccccc2)n2cccc2)s1,1,0,0,0
CCN1CCN(CCCNC(=O)C2CCCN(c3nc4c(C)cc(C)cc4s3)C2)CC1,1,1,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1CCCOC(C)C,1,0,0,1
O=C(O)CN1CCN(Cc2nc3ccccc3n2C2C[C@H]3CCC[C@@H](C2)N3C2C[C@H]3CCC[C@@H](C2)C3)CC1,0,0,0,0
Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2cccc(Cl)c2)c1,0,0,0,0
COC1CCC2(CC1)Oc1ccc(-c3cccnc3)cc1C21N=C(N)N(C)C1=O,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(NN=c2c(=O)c3ccccc3c2=O)cc1,0,0,0,0
CN(C)CCCNC1c2ccccc2N(C)C2NC(=O)N(C)C(=O)C12,0,0,0,0
CN1CCCN(c2cc(-c3ccc4ccccc4c3)nc3ccnn23)CC1,0,0,0,1
CC(C)(CO)CNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1,0,1,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)C1CCC(C2)N1,0,0,0,0
CCOC(=O)c1c[nH]c2nc(C)ccc2c1=O,0,0,0,0
O=C(Cc1nc2ccccc2[nH]c1=O)c1ccc(Cl)cc1,0,1,0,0
O=C(COC(=O)C1CC(O)CN1C(=O)Oc1ccccc1)c1ccc(Br)cc1,1,0,0,0
Cc1ccc(CS(=O)(=O)CC(C)(O)c2ccc(Cl)cc2)cc1,0,0,0,0
CCCC(=O)OCC1CN(Cc2ccco2)S(=O)(=O)c2c(F)cccc2O1,0,0,0,0
COc1cccc(Nc2ncc3nc(-c4cc(F)cc(F)c4)c(=O)n(CCC#N)c3n2)c1,1,0,0,0
COC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1C,0,0,0,0
COc1ccccc1NC1=C(N2CCCCC2)C(=O)c2ccccc2C1=O,0,0,0,0
Cc1cc(Br)cc2c(C(=O)NCC3CCCO3)cc(-c3ccccc3)nc12,0,1,0,0
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1,0,0,0,0
CC(=O)Nc1sc(C)c(C)c1CN1CCN(S(=O)(=O)c2ccccc2)CC1,1,0,0,0
CSc1ccccc1OCc1cc(C(=O)N2CCN(C3CCCC3)C(=O)C2)no1,0,1,0,0
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(C)C)C(N)=O,0,0,1,0
Cc1ccc2nc(NC(=O)CSc3ncnc4c3oc3ccccc34)sc2c1,1,0,0,0
COC(=O)C1=C(COc2ccc(C=O)cc2OC)NC(=O)NC1c1cc(C)ccc1C,0,0,0,0
O=C1COc2ccc(C(=O)CSc3nnc(-c4cccs4)n3Cc3ccccc3)cc2N1,1,0,0,0
CN(C)C/C=C/C(=O)Nc1cc2c(Nc3ccc(Cc4ccccn4)cc3)ncnc2cn1,0,0,1,0
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(OC)c1,0,0,0,0
COc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3OC)c2)cc1,1,0,0,0
Cc1cc(Nc2ccc(C(C)C)cc2)n2ncnc2n1,0,0,0,0
CCC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)cc1,0,0,0,0
CN1CCc2c(n(CC(O)CNCc3ccccc3)c3ccccc23)C1=O,0,0,0,0
CN1C(=O)/C(=C\c2ccco2)N=C1c1ccc(Cl)cc1Cl,0,1,0,0
CCOc1cc(CNc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OC,0,0,0,0
COc1ccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)cc1OC,0,0,0,0
CNC(=O)c1c(N)n(C2CCCCC2)c2nc(C#CC(C)(O)COC)ccc2c1=O,0,0,0,0
CC1CN(c2ccccc2)CCN1C(=O)c1cc(COc2c(F)cccc2F)on1,0,0,0,0
COc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1,0,1,0,0
O=C(O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1,0,0,0,0
CC1CCCN(Cc2c(O)ccc3c2O/C(=C\c2ccco2)C3=O)C1,1,0,0,0
CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)F)c(Cl)c1,0,0,0,0
Cc1ccc(NC(=O)CSc2nc(O)c3c(n2)CCC3)cc1C,1,0,0,0
O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c3ncc(Cc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,0,0,0,0
c1ccc2c(c1)nc(Cc1cnccn1)n2C1C[C@H]2CCC[C@@H](C1)N2C1C[C@H]2CCCC[C@@H](C1)C2,0,0,0,0
O=C(Nc1nc2ccccc2s1)C1COc2ccccc2O1,0,1,0,0
CCOC(=O)c1c(S(=O)(=O)N(C)Cc2ccccc2)c(C)n(C)c1C,0,0,0,0
O=C(O)CN1C(=O)/C(=C\Nc2ccccc2)SC1=S,0,0,0,0
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(OC5CCNCC5)nn4)ccn23)c1,0,0,0,0
CCCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,0,0,0,0
Cc1cnn(-c2cc(Oc3ccccc3)ncn2)c1,0,1,0,0
Cc1sc(N/N=C/c2ccco2)nc1-c1ccccc1,1,1,0,0
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(C)cc3C)n2)CC1,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc2ccccc2c1)C(F)(F)F,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(OCc5ccc(F)cn5)cc4=O)cc31)CCCNC2,0,0,0,0
COC(=O)c1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc([N+](=O)[O-])c1,0,0,0,0
Cc1cc(N(C)Cc2ccccc2)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1,0,0,0,0
CCCN1CCN(CC2=C(C(=O)OCC)C(c3ccc(Cl)cc3)NC(=O)N2)CC1,0,0,0,0
CC(C)(C)c1cc(C(c2cccnc2)N2CCN(CCO)CC2)cc(C(C)(C)C)c1O,0,0,0,0
CCN(CC)C(=O)c1nc(NC(C)C)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1,0,0,0,0
COc1ccccc1N1C(=O)CC(Nc2ccc(N3CCOCC3)cc2)C1=O,0,0,0,0
CCN1C(=O)C2C(c3ccc(OC)cc3)N(C(=O)CNC3CCCCC3)C(C)(C(=O)OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C2C1=O,0,0,0,0
COc1cc2[nH]c(CN3CCN(S(=O)(=O)c4ccc(C)c(C)c4)CC3)nc(=O)c2cc1OC,0,0,0,0
CN(C)C(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O,0,0,0,0
Cc1ccc(-c2[nH]n(-c3ccccc3)c3nc(=O)c(CNCCN(C)C)cc2-3)cc1,0,0,0,0
CC(O)CNC(C)(C)CC(=O)NC1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C1=O,1,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(OC)c(F)c1,0,0,0,0
CC1=CC(=O)C2C(C)(C)CCCC2(C)C1CCC(C)CC(=O)O,0,0,0,0
CN1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,0,0,0,0
O=C(C(Cl)Cl)N1CCN(Cc2ccccc2)CC1,0,0,0,0
Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(N(C)C)ncnn12,0,0,0,0
COCCCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccc(Cl)cc12,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@@H](C#N)CO3)C1=O,0,0,0,0
O=[N+]([O-])c1ccc(-c2nn(-c3ccccc3)cc2-c2nnc(-c3ccccc3)o2)cc1,0,0,0,0
COc1ccc(Cl)cc1CNCCSc1nnnn1-c1ccccc1,0,0,0,0
O=C(CCCCCCNc1nc(NCc2ccccc2)nc2nc[nH]c12)NO,0,0,0,0
CCOc1ccc(C2=Nc3cc(C(C)C)ccc3N=C(c3cccs3)N2)cc1,1,0,0,0
CC1(C)OC(=O)N(C2CCC(c3cnc(N)c(C#N)c3)CC2)[C@H]1c1ccccc1,0,0,0,0
CCOc1ccc(Cc2cc(C3OC(C)C(O)C(O)C3O)ccc2Cl)cc1,0,0,0,0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(Cl)ccc2N1,1,0,0,0
CC(N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,0,0,0,0
C/C(=N\Nc1cccc2cccnc12)c1ccc(N)cc1,0,1,0,0
CCN1CCN(C(=O)C2CCN(C(=O)c3cc4sccc4n3CC)CC2)CC1,1,0,0,0
O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccc(Cl)cc2)c1=O)NCc1ccco1,1,0,0,0
Cc1cccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c12,0,0,0,0
CCC1C(=O)NCCN1C(=O)c1ccc(OC)c(OC2CCN(C(C)=O)CC2)c1,0,0,0,0
Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCNC(=O)OC(C)(C)C)cc2)n1,0,0,0,0
Cc1ccc(-n2c(O)c(C=Nc3ncn[nH]3)c3ccccc3c2=O)cc1,0,0,0,0
Cc1cc(C)n(-c2ccc(F)cc2)c(=O)c1C#N,0,0,0,0
CC1(C)CC(=O)c2cnc(N)nc2C1,0,0,0,0
COc1ccc(-c2[nH]ncc2CN2CCSCC2)c(OC)c1,0,0,0,0
Cc1sc2[nH]c(=S)n(CCCn3cncc3C)c(=O)c2c1-c1ccccc1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1-c1n[nH]c(=S)n1-c1ccccc1,0,0,0,0
Cc1cc(S(=O)(=O)c2ccc(F)c(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CCOC(=O)C1CCCN(c2cc(=O)n(C3CCCCC3)c(=O)[nH]2)C1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1N(C)S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccccc1-c1cc2c(N[C@H](C)c3ccccn3)ncnc2s1,0,0,0,0
CC1(C)CC(=O)C(=Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)C(=O)C1,1,0,0,0
COC(=O)CCN(C)CCCOc1ccc(Cc2cccs2)cc1,0,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCCC(O)C3)cc2F)cc1F,0,0,0,0
N#Cc1ccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)cc1,1,0,0,0
Cc1c(C)c2c(OCC(=O)NC(C(=O)O)c3ccccc3)cc3c(c2oc1=O)CCC(C)(C)O3,0,0,0,1
COc1ccc(N2C(=O)C3C4c5ccccc5C(C=Nc5ccc(C)cc5C)(c5ccccc54)C3C2=O)cc1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(F)c2)CC1,0,0,0,0
CCS(=O)(=O)N1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1,0,0,0,0
N#CC1(CCCN2CCC(O)(c3ccccc3)CC2)c2ccccc2CSc2ccccc21,0,0,0,0
CC(=O)c1cccc(NC(=O)N2CCCC(C(=O)c3cc(F)ccc3F)C2)c1,0,0,0,0
COCC(C)NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,1,0,0,0
COc1ccccc1Oc1coc2cc(OC(=O)N3CCOCC3)ccc2c1=O,0,0,0,0
CCn1c2c(c3ccccc31)CC(=O)Nc1ccncc1-2,0,0,0,0
COc1cccc(N2CC(=O)N(NC(=O)c3sc4nc(C)cc(C)c4c3N)CC2=O)c1,1,0,0,0
CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccc(C)c(C)c2)c2ccccc21,0,0,0,0
COC(=O)C1(C(F)(F)F)C2C=CC(C2)N1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
COCCCN1CC(=O)N2C(c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O,0,0,0,0
CN1CCC(c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)CCC1=O,0,0,0,0
COC1=CC(=CCc2ccc3cccc(O)c3n2)C(Br)=CC1=O,0,0,0,0
NC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCC(N2CCCC2)C1,0,0,0,0
CO[C@H](C)[C@H]1COC(=O)N1c1cc(Cl)nc(N[C@@H](C)c2cc(F)c(-c3cnn(C)c3)cc2F)n1,0,0,0,0
O=C1Nc2c(F)cccc2C2(CCCCC2)N1,0,0,0,0
COc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)cc1Cl,0,0,0,0
CCCc1cc(=O)n2nc(NCc3ccccc3F)nc2[nH]1,0,0,0,0
CCCN(CCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12,0,0,1,0
CN1Cc2c(N3CCOCC3)nc3sc(C#N)c(N)c3c2CC1(C)C,0,0,0,0
CC1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1,1,0,0,0
CC(=O)Nc1ncc(SCc2cccnc2)s1,0,0,0,0
CC(/C=C/C=C(\C)c1ccc2c(c1)C(C)(C)CS2)=C\C(=O)O,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(CCC)c1=O,0,0,0,0
CC(C)CC(=O)NC(=S)Nc1ccc(N2CCOCC2)cc1,1,0,0,0
COCCNC(=O)COc1ncnc2ccc(Br)cc12,0,0,0,0
O=C(Nn1cnc2ccccc2c1=O)c1ccccc1,0,0,0,0
CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C,0,0,0,0
COC(=O)c1cc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)cc([N+](=O)[O-])c1,0,0,0,0
CCC(=O)N(Cc1ccco1)c1nc(-c2ccc(OC)cc2)cs1,0,0,0,0
CC#CCn1c(N2CCNCC2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C,0,0,0,0
CCC1C(=O)CC2CCN3C(=O)CCCC1C23,0,0,0,0
C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@@]43C)C1=CC=C2c1cccnc1,0,0,0,0
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@@H](CC2CC2)c2ccccn2)C1=O,0,0,0,0
O[C@H](Cc1ccc(Br)cc1)CN1CCC2(CCc3ccccc32)CC1,0,0,0,0
C[C@@H](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl,0,0,1,0
Cc1c(-n2cnc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)O,0,0,0,0
Cc1cc(C)cc(NC(=O)Cc2ccc(-n3cccc3)cc2)c1,1,0,0,0
Cc1cccc(C)c1Nc1ncc(-c2cccs2)n2cncc12,0,0,0,0
COc1ccc2c(c1)CC/C2=N\NC(=O)c1ccccc1,0,1,0,0
O=C(O)C=Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1,0,0,0,0
O=C1NCCCc2[nH]c3c(ccc4cnc(-c5cncc(OCCN6CCOCC6)c5)cc43)c21,0,0,0,0
COC1CCN(c2cc(-c3cnc(N)c(OC(F)F)c3)nc(N3CC4CC3C4)n2)C1,0,0,0,0
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1Nc1ccc(F)cc1,1,0,0,0
O=c1ccc2c(OCCCCOc3cccc(C(F)(F)F)c3)c3ccoc3cc2o1,0,0,0,0
CCN(CC)CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)cc(NC4CCC(NS(=O)(=O)CCC(F)(F)F)CC4)nc23)[nH]1,0,0,0,0
O=C(OCC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)C1=COCCO1,0,0,0,0
CCCc1c(OCCCCOc2ccc(-c3nn[nH]n3)cc2)ccc2c1cnn2CC(C)(C)C,0,0,0,0
O=C(c1ccc(-c2cc(F)c3ncc(Cc4ccc5ncccc5c4)n3c2)cc1F)N1CCC2(COC2)C1,0,0,0,0
O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(Cn2c(=S)[nH]c3ccc(N4CCOCC4)cc3c2=O)cc1,1,0,0,0
O=C1CN(C(=O)c2cc(NC(=O)c3cc(-c4ccccn4)c(F)cc3Cl)n(-c3ccccc3)n2)CCN1,0,0,0,0
N#Cc1cnc(C(=O)Oc2ccc(C3CCN(C(=O)[C@H](O)CO)CC3)cc2C2=CCCCC2)[nH]1,0,0,0,0
C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)nc2)CCN1C(=O)c1ccc2cc[nH]c2c1,0,0,0,0
COc1nc2cc(Cl)c(Cl)cc2nc1N1CCN(C)CC1,0,0,0,0
O=C(O)[C@@H]1CSC2c3ccccc3C(=O)N21,0,0,0,0
O=C(COC(=O)CN1C(=O)C2CC=CCC2C1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,1,0,0,0
COC(=O)c1cccc(-c2cnc(C(=O)[C@H]3CCc4cc(Oc5ccccc5)ccc4C3)o2)n1,0,0,0,0
c1cnc2nc(Oc3ccc(OCCN4CCCCC4)cc3)sc2c1,0,0,0,0
CCOc1ccc2nc(N/C(N)=N/S(C)(=O)=O)nc(C)c2c1,0,0,0,0
CN1CCN(c2ccccc2CNc2nc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
COc1cc(CNC(=O)c2ccc3nc(Cc4ccccc4)oc3c2)cc(OC)c1OC,1,0,0,0
O=[N+]([O-])c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,0,0,0,0
COCCn1nccc1-c1cc(Cl)ccc1Oc1cc(F)c(S(=O)(=O)Nc2nncs2)cc1Cl,0,0,0,0
COc1ccc(S(=O)(=O)N(Cc2ccc3c(c2)C=CC(C)(C)O3)c2ccccc2)cc1,0,0,0,0
O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1,1,1,0,0
CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2onc(C)c12,0,0,0,0
CN(CCO)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
COc1ccc(CC(C)=NNC(=S)Nc2ccc(Cl)cc2)cc1,0,0,0,0
COc1cc(NC(=O)c2ccccc2OCc2ccccc2)cc(OC)c1OC,1,0,0,0
CC1(C)Cn2cc(C(=O)O)c(=O)c3c(N)c(F)c(NCCNc4ccccn4)c(c32)O1,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)NC)cc4)cc23)c1F,0,0,0,0
Nc1cc(C(=O)N2CCCC2)cc(C(=O)N2CCCC2)c1,0,0,0,0
N=C(N)Nc1ccc(CC(NS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,0,0,1,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1Cl,0,0,0,0
Cc1nc2sccc2c(=O)n1N,1,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(N)cc3)cc2n(CCC)c1=O,0,0,0,0
Cc1ccc2c(C)nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)nc2c1,0,0,0,0
CCCN1CCN(C(=O)C2CCN(S(=O)(=O)c3c(C)noc3C=Cc3ccc(C)cc3)CC2)CC1,1,0,0,0
N#Cc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
CCOc1ccc(CN2C(=O)c3ccccc3Sc3ccc(C(=O)NCc4ccc(C)cc4)cc32)cc1,1,0,0,0
Clc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1,0,1,0,0
CC1=C(C(=O)N(C)C)C(c2ccccc2OC(F)F)NC(=O)N1,0,0,0,0
O=c1nc(-c2ccccc2)cc(-c2ccc(O)cc2)[nH]1,0,0,0,0
CCCCOCC(CN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O)OC(N)=O,0,0,0,0
Cn1c(=O)c(-c2ccc(F)cc2)nc2cncnc21,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)(F)C(F)F)c1,0,0,0,0
CCNC(=O)[C@H]1S[C@@H](n2cnc3c(NC)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
Oc1ccccc1-c1nc2ccccc2nc1-c1ccccc1,0,0,0,0
CC1CCC2(CC1)NC(=O)Nc1c(Br)cccc12,0,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)N1CCc2ccccc21,0,0,0,0
COc1ccc(C(=O)c2cc3cc(C)n(CCN4CCOCC4)c3s2)cc1,0,0,0,0
Cc1cc(C(=O)N[C@H]2CCCCN(C)C(=O)CC[C@@H](C=O)NC(=O)[C@H](Cc3ccc(F)cc3)NC2=O)no1,0,0,1,0
CCC1(CCCCN2CCN(c3ccccc3)CC2)C(=O)Nc2ccccc21,0,0,0,0
CCN(CC)c1ccc(NC=C2C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)cc1,0,0,0,0
COc1ccccc1N1CCN(CCCCCC(=O)NCc2ccccc2-c2ccccc2Cl)CC1,0,0,0,1
Cn1cc(-c2ccncc2)c(-c2ccc(OCc3ccc4ncccc4n3)cc2)n1,0,0,0,0
CCc1ccc(NS(=O)(=O)c2ccccn2)c(C(=O)O)c1C,0,0,0,0
Cc1c(-c2csc(-c3ccccc3Cl)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,0,0,0,0
O=C(C(Cc1ccccc1)N1C(=O)C2C3C=CC(C3)C2C1=O)N1CCCCC1,1,0,0,0
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccc4c(c3)OCO4)nc12)N1CCCC1,0,0,0,0
COc1ccc(NC(=O)O/N=C/c2ccc(Br)cc2)cc1,0,1,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
CCOc1ccc(NC(=O)CSc2nc(=O)c(S(=O)(=O)c3ccc(F)c(C)c3)c[nH]2)cc1,1,0,0,0
C[C@@H](OCC1(c2ccccc2)CC(N)C1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
O=C(CCCCN1CCC(c2ccccc2)CC1)c1nc2ccccc2s1,0,0,0,1
CC(C)c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12,0,0,0,0
CC1(C)CC(c2ccc(C(F)(F)F)cc2C2=CCNCC2)c2ccc(S(=O)(=O)Nc3ncns3)cc2O1,0,0,0,0
O=S(=O)(c1cccc(C(O)C(F)(F)F)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
CCN1CCCc2cccc(OCCCN3CCCCC3)c21,0,0,0,0
Cc1cccc(C)c1Nc1nn(CCCN2CCCC2)c2nc(Nc3ccccc3)ncc12,0,0,0,0
COc1ccc(OC)c(C(c2nnnn2CCc2ccccc2)N2CCC(C(N)=O)CC2)c1,0,0,0,0
C=CC(=O)Nc1cccc(-n2c(=O)cnc3cnc(Nc4ccc(N5CCCCC5)cc4)nc32)c1,0,0,1,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](NC(=O)OC(C)(C)C)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C#N)c4)cn3)[C@H]12,0,0,0,0
O=C(/C(=C/c1ccc(Cl)cc1)c1nc2ccccc2[nH]1)c1cccs1,1,0,0,0
COCc1c(C#N)c(NCCc2ccccc2)nc(C)c1[N+](=O)[O-],0,0,0,0
Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCC(=O)N(C)C)cc2)n1,0,0,0,0
CSc1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)cc1,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2)n1,0,0,0,0
O=C(O)C1CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1,0,0,0,0
C[S+]([O-])c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
CCOC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(Br)cc2)c1C,0,0,0,0
Cc1cc(OCCn2cnc3ccccc3c2=O)cc(C(C)C)c1,0,0,0,0
O=C1CC(Sc2ncccc2C(=O)O)C(=O)N1,0,0,0,0
CC(C)c1cc(C(C)C)c(S(=O)(=O)NC(Cc2ccc(NC(=N)N)cc2)P(=O)(Oc2ccccc2)Oc2ccccc2)c(C(C)C)c1,0,0,1,0
CCCCOC(=O)C1Cc2ccccc2C(=O)O1,0,0,0,0
Cc1cccc(-n2c(C)cc(C)c(C#N)c2=O)c1,1,0,0,0
Cc1cc(-c2ccccc2)n2nc(-c3ccccc3)cc2n1,1,0,0,0
CCCNS(=O)(=O)NC1CCCc2c(-c3ccc(C#N)cc3)cncc21,0,0,0,0
CCOc1cc(C2NC(=O)NC(C)=C2C(C)=O)cc(Cl)c1OCC(=O)O,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCNCC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=c1cc(CO)oc(C(Nc2ccccn2)c2ccccc2Cl)c1O,0,0,0,0
CCOC(=O)CCc1ccc(-c2cc(C)cc(Nc3nccc(OC)n3)c2)cc1,0,0,0,0
CCOC(=O)CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=O,0,0,0,0
O=S(=O)(c1cccc2nonc12)N1CCN(c2cccc(Cl)c2)CC1,0,0,0,0
CCN1CCN(Cc2ccc(C)cc2C)CC1,0,0,0,0
CCOc1cc(S(=O)(=O)NCc2ccncc2)c(C)cc1C,0,0,0,0
CN(C)c1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1,1,0,0,0
O=S(=O)(c1ccccc1F)N1CCC(CCc2ccc(F)cc2F)CC1,0,0,0,0
CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3)C2)nc(OC)c1F,0,0,0,0
Cn1c(=O)n(Cc2nccc3ccccc23)c(=O)c2c1c(C#N)c(N1CCC[C@H](N)C1)n2Cc1ccccc1,0,0,0,0
COc1cc(CCNc2ncc(C(N)=O)c(Nc3cccc(C)c3)n2)ccc1O,0,0,0,0
O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1Oc1ccccc1O,0,0,0,1
Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)C(C)C)[nH]c12,0,0,0,0
CNC(=O)Nc1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1,0,0,0,0
O=C1CCCN1CN(C(=O)c1ccccc1)c1ccccc1,0,0,0,0
N#Cc1ncn(C2OC(CO)C(O)C2O)c1N,0,0,0,0
CCc1nc2cc(F)c(/C=C/C(=O)NO)cc2c(=O)n1CCc1ccccc1,0,0,0,0
CC(=O)c1cccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)c1,0,0,0,0
CCc1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C(F)(F)F)cc3C#N)c12,0,0,0,0
CCCCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
CC(=O)c1c(COC(=O)c2ccccc2)nc2ccccc2[n+]1O,0,0,0,0
CCCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
CCN(CC)c1nc(C)nc2c1sc(=S)n2C,0,0,0,0
CN(Cc1ccccc1)S(=O)(=O)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1,0,0,0,0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2c1C(Cc1ccccc1)(Cc1ccccc1)C(=O)N2,0,0,0,0
CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c3ccccc3[nH]2)s1,1,0,0,0
CC1CCCC(=C(C#N)c2nc(-c3cc4ccccc4oc3=O)cs2)C1,0,0,0,0
O=C(O)CCc1ccc(OCc2ccccc2-c2ccccc2)cc1,0,0,0,0
O=c1[nH]c(=O)n(Cc2ccc(F)cc2)c(O)c1C=NCC1CCCO1,0,0,0,0
Cc1nc(N2CCCCC2)c2[nH]c(CC3CCCCC3)cc2n1,0,0,0,0
O=C1CC(c2cccs2)Cc2nc(NCC3CCCO3)ncc21,0,0,0,0
CCc1ccc(C2CC3CN(Cc4ccccc4OC)C(=O)C34CCCN24)cc1,1,0,0,0
Cc1ccc2c(c1)C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C,0,0,0,0
Cn1c(-c2ccc(OCCCN3CCCCC3)cc2)nc2ccccc2c1=O,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1cc(Cl)c(OC)cc1OC)C2c1ccccc1,1,0,0,0
CCCC(=O)N(CCN(Cc1ccccc1)C(=O)CCC)Cc1ccccc1,0,0,0,0
COc1ccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c(-c3ccc(F)cc3)[nH]2)cc1OC,0,1,0,0
CN(C)c1ccc(NC(=S)NC(=O)C=Cc2ccc(Cl)cc2)cc1,1,0,0,0
O=C(O)/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1,0,1,0,0
Cc1ccc(C2C(C(=O)O)c3ccccc3C(=O)N2C)c(C)c1,0,0,0,0
CC(C(=O)O)c1ccc(CN2CCC(COC(=O)c3c4n(c5ccccc35)CCCO4)CC2)cc1,0,0,0,0
Cn1cc(-c2cc(S(C)(=O)=O)ccc2Oc2cccc3cnccc23)c2cc[nH]c2c1=O,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(N)c1,0,0,0,0
Cc1c(-n2c(=S)[nH]c3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1ccccc1NS(=O)(=O)c1ccc2oc(=O)ccc2c1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccc(C(C)C)cc1)NC2,1,0,0,0
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cc(C#N)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
CC1(C)[C@H]2C[C@H](C/C=C\CCCC(=O)O)[C@@H](NS(=O)(=O)c3ccc4oc5ccccc5c4c3)[C@@H]1C2,0,0,0,0
CC(C)N1CN(c2ccccc2)C(=S)N(c2ccccc2)C1,0,0,0,0
CCN(CC)CCOc1ccc(CCN2CCn3c(nc4c3c(=O)n(C)c(=O)n4C)C2)cc1,0,0,0,0
COc1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1,0,0,0,1
COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(N(C)C)cccc12,0,0,0,0
O=C1CN(C(=O)COc2c(F)c(F)cc(F)c2F)c2ccccc2N1,0,0,0,0
c1ccc(-c2nnc3c4c(c(OCCc5ccccn5)nn23)C2CCC4CC2)cc1,0,0,0,1
CC(=O)c1cccc2c1N/C(=C1/Nc3ccccc3C1=O)C2=O,0,0,0,0
Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1C,0,1,0,0
COc1cc2[nH]c(=S)n(NC(=O)CC(C)C)c(=O)c2cc1OC,0,0,0,0
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(OC)cc3)n2)CC1,0,0,0,0
CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)c(C)c3)c(O)c2c1,0,0,0,0
CC(C)N1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1,0,0,0,1
COc1ccc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc1,0,0,0,0
COc1ccc(C2=NN=C(/N=C/c3ccc(F)cc3)SC2)cc1,1,0,0,0
CCCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)cc1,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(-c3ccno3)cc2OC)CC1,1,0,0,0
NC(=O)c1ccc(NCCc2ccccc2)c2cncnc12,0,0,0,0
CCOC(=O)Cc1csc(SCC(=O)C(C#N)=C(C)N)n1,0,0,0,0
N#Cc1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
CN1CCN(Cc2ccc(Nc3nc4c(-c5ccc(S(C)(=O)=O)cc5)cccn4n3)cc2)CC1,0,0,0,0
O=C(Nc1ccccc1)Nc1ccccc1C(=O)NCc1ccco1,0,1,0,0
CC(C)(C)c1ccc(Oc2coc3cc(OCC(=O)O)ccc3c2=O)cc1,0,1,0,0
COc1ccc(C)cc1S(=O)(=O)Nc1cccc(-c2ccc(N3CCC(C)CC3)nn2)c1,0,1,0,0
c1ccc(-c2nccc(-c3ccc(-n4cnc5ccccc54)cc3)n2)nc1,0,0,0,0
CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
CCn1c(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc2cc(S(=O)(=O)N(C)C)ccc21,0,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2ccccc2C#N)cn1,0,0,0,0
CCNC(=S)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1,0,0,0,0
Cc1cccc(NC(=S)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1C,0,0,0,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@H]1CCc2ccccc2N(CC(=O)O)C1=O,0,0,0,0
O=C1C(=O)N(Cc2ccccc2)c2ccccc21,0,0,0,0
COc1cc(OCc2cncc(-c3ccoc3)c2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
CC1CCc2ccccc2N1C(=O)c1cccs1,0,0,0,0
CCCCCn1nc(C)c(/C=N\NC(=O)c2cc(C)oc2C)c1C,0,1,0,0
COCC(=O)OCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1,1,0,0,0
COc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)c(OC)c1,0,0,0,0
CCN(CC)C(=O)[C@@]1(c2cc(Cl)c(Cl)s2)C[C@H]1CN,0,0,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(C[C@H](CCO)C(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,0,0,0,0
Cc1cc(Cl)ccc1NC(=O)C1CCN(S(C)(=O)=O)CC1,1,0,0,0
Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(-n4cc(CCF)nn4)c4ccccc4n3)cc2)n1,0,0,0,0
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3ccc4c(=O)[nH][nH]c4c3)NC(=O)NC1=O)C2,0,0,0,0
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)Cc3ccncc3)CC2)cc1,0,0,0,0
O=C(Cn1c(O)c(/C=C2\C=Nc3ccccc32)sc1=O)Nc1ccc2c(c1)OCO2,1,0,0,0
CSc1ccc(N2C(=O)C(=O)C(C(=O)C(C)(C)C)C2c2ccccc2OCCO)cc1,0,0,0,0
COc1ccc(C/C(C)=N/NC(=S)Nc2ccc(C)c(C)c2)cc1,0,0,0,0
O=c1cc(-c2ccc(OCCOCCN(CCOCCOc3ccc(-c4cc(=O)c5ccccc5o4)cc3)Cc3ccccc3)cc2)oc2ccccc12,0,0,0,0
Cc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)c(F)c2)cc1,0,0,0,0
C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccccc1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3Cl)C2)nc(C)c1F,0,0,0,0
CC(SCc1cc(=O)n2c([nH]c3ccccc32)c1C#N)C(=O)O,0,0,0,0
O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4ccc(F)nc4F)c3CCN12,0,0,0,0
COc1cccc(C(=O)N2CCc3cc(-c4cccnc4)ccc32)c1,0,0,0,0
CC1CN(Cc2c(O)ccc3c(=O)c(-c4ccccc4)coc23)CC(C)O1,0,0,0,0
O=C1NC2(CCCCC2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1,1,0,0,0
O=C(OCC(=O)N1CCCCCC1)c1cccs1,0,1,0,0
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(=O)c2ccc(F)cc2)CC1,1,0,0,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC(F)F)cc3)cn2CCN2CCC2)CC1,0,0,0,0
O=C(OCCCc1ccc(F)cc1)C1CCCCN1S(=O)(=O)c1ccccc1,0,0,0,0
CCN(CC)c1ccc(/C=N/NC(=S)NCc2ccccc2)cc1,1,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(F)cnc32)cc1NC1COC1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(C(F)(F)F)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
O=C1N(Cc2nccn2Cc2ccccc2)CCCC12CCN(c1cnc3ccccc3n1)CC2,0,0,0,0
O=c1nc(SCc2ccccc2)[nH]c2c1cnn2-c1ccc(F)cc1,0,0,0,0
COc1ccc(CN(C)c2cc3nc(-c4ccco4)nn3c(N)n2)cc1,0,0,0,0
CCC(C)(C)C1CCc2c(sc(N)c2C(N)=O)C1,1,0,0,0
COc1ccc(C23Cc4ccccc4C(O2)C2=C(CC4(CCCCC4)OC2=O)O3)cc1,0,0,0,0
CC(=O)Nc1ccc(C2CC(c3ccc(Cl)cc3)=NN2c2ccccc2)cc1,0,1,0,0
COc1ccc(N2CCN(S(=O)(=O)c3ccc(-c4cc(C)no4)s3)CC2)cc1,0,0,0,0
CCCCCCCCSc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1,1,0,0,0
CCOc1ccc2c3c(oc2c1)C(C)(C)c1cc(OCCN(CC)CC)ccc1C3=O,0,0,0,0
CCc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2O)cc1,0,0,0,0
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc4c(c3)CNC4=O)cc2s1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1,0,0,0,0
Cc1[nH]nc(N)c1-c1nc2ccc(CN3CCCC3)cc2s1,0,0,0,0
CCOC(=O)c1oc2c(c1C)-c1nn(Cc3cccc(Cl)c3)cc1CC2,0,0,0,0
CC1(C)c2cc(OC[C@@H](O)[C@H](O)CO)ccc2C(=O)c2c1oc1cc(OC[C@@H](O)CO)ccc21,0,0,0,0
Cc1ccc(-c2ccc(F)c(CN[C@@H](CO)C(C)C)n2)s1,0,0,0,0
S=c1[nH]nc(-c2ccco2)[nH]1,0,0,0,0
N#CCC(c1ccccc1)N1CCN(Cc2ccccc2)CCC1=O,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3ccc(C(N)=O)nc3)n2)cnc1N1CC[C@H](F)C1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1,0,0,0,0
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(Br)c23)c1,0,0,0,0
Clc1ccc(CSC2=NCCN2)cc1Cl,0,0,0,0
COc1cc(C(=O)NN=CC23CCC(O)CC2(O)CCC2C3CCC3(C)C(C4=CC(=O)OC4)CCC23O)ccc1O,0,0,0,0
NS(=O)(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1,0,0,0,0
c1ccc(-c2nc(NC3CCCC3)c3ccccc3n2)cc1,0,0,0,0
CCOC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)cn1C,0,0,0,0
COc1cc(CN[C@H]2C3C4CC5C6C4CC3C6C52)cc(OC)c1OC,0,0,0,0
CC(O)(c1ccccc1)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
NC(=O)[C@@H]1CCCN1C(=O)c1cc2c([nH]c1=O)C[C@]13CCN(CC4CC4)[C@H](Cc4ccc(O)cc41)[C@@H]3C2,0,0,0,0
O=S(=O)(c1ccc(F)cc1)c1ccc2c(c1)CCNCC2,0,0,0,0
CCCCCCCCN1C(CC(=O)O)c2ccc(C(F)(F)F)cc2S1(=O)=O,0,0,0,1
CC[C@H]1CN(c2ncc(-c3nnc(NC)o3)nc2C)[C@H](C)CN1C1CCN(C(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1cc(Oc2ccc(N(CC(C)C)S(=O)(=O)c3cc(C(=O)O)c(O)c4ccccc34)cc2)cc(C)c1Cl,0,0,0,0
O=C1C2=C(C(=O)c3c(O)cccc31)S(=O)(=O)CCN2,0,0,0,0
Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NN(C)C,0,0,0,0
CN1C(=O)C2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1OC21CCC(OC(F)F)CC1,0,0,0,0
CSc1ccccc1NC(=O)c1cnc2sc(C)cn2c1=O,0,1,0,0
Clc1ccc(-c2csc(NN=C3CCCCCC3)n2)c(Cl)c1,0,0,0,0
CC(c1ccc(Cc2ccccc2)s1)N(O)C(N)=O,0,0,0,0
CCN(CC)CCn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2cc(Cl)cc(Cl)c2)n1,0,0,0,0
O=C(Cn1c2ccccc2c2nc3n(c(=O)c21)CCS3)N1CCCC1,0,1,0,0
COc1cc(-c2n[nH]c3ccnc(OC)c23)ccn1,0,0,0,0
O=C(c1ccc(S(=O)(=O)NCc2ccco2)cc1)N1CCN(Cc2ccccc2)CC1,0,0,0,0
CC12C(=O)Nc3ccc(Br)cc3C(=O)N1C1c3cc(Cl)ccc3OCC1C2c1ccccc1,0,0,0,0
COc1cccc(NC(=O)C2COc3ccccc3O2)c1,0,1,0,0
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccccc1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)ccc1OC,0,0,0,0
CC1=CC(=NNc2ccccc2[N+](=O)[O-])CC(C)(C)C1,0,0,0,1
CCN(CC)CCNc1nc(-c2cccs2)c(CC(=O)O)s1,0,0,0,0
C=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1,1,0,0,0
CCOc1cccc(-c2nnc3sc(-c4cccs4)nn23)c1,0,0,0,0
COc1ccccc1CN1CC2(CCN(S(=O)(=O)c3ccccc3)CC2)C1,0,0,0,0
COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cc1OC,0,1,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1,0,0,0,0
O=C(c1ccccc1)N1CCC2(CC1)NCCc1nc[nH]c12,0,0,0,0
O=C(c1ccncc1)N1c2ccccc2Sc2ccccc21,0,0,0,0
CC(C)(COc1ccc(-c2ccc(-c3ncc(C4CCCCCC4)[nH]3)cn2)cc1)C(=O)O,0,0,0,0
CCCCN(C)CCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O,0,0,0,0
CCN(CC)Cc1c(O)ccc2c(=O)c(Oc3ccccc3OC)c(C)oc12,0,0,0,0
CN(C)C/C=C\C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1,0,0,1,0
Oc1ccc(-c2nc(-c3ccc(O)c(O)c3)cs2)cc1,1,1,0,0
CCNc1nc(NC(C)C)nc(Oc2ccc(OCCOc3ccc(C)cc3)nn2)n1,1,0,0,0
COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(=O)COC)c(C=O)nc32)ncc1C#N,0,0,1,0
COc1ccc(/C=C/c2nnc(NC(=O)COc3cccc(C)c3)s2)cc1,1,0,0,0
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
C=CC(=O)NCCOc1cccc2[nH]c(-c3n[nH]c4cc(C5CC5)ccc34)cc12,0,0,1,0
Cc1cccc(Cl)c1OCCCCN1CCN(c2ccccc2)CC1,0,0,0,0
CC(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)cn(C)c3=O)nc12,0,0,0,0
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C(C)(C)C)cc2)s1,1,0,0,0
OC1(c2cccs2)C[N+](c2ccc(Br)cc2)=C2SCCCN21,0,0,0,0
Cc1ccc(NC(=O)c2ccc3c(O)c(S(=O)(=O)c4ccc(Cl)cc4)c(=O)[nH]c3c2)cc1,1,0,0,0
Fc1ccc(CSc2nsc(SCc3ccc(F)cc3)n2)cc1,0,0,0,0
Cc1ccc(C(=O)NC(C)C(c2cccs2)N2CCCC2)s1,1,0,0,0
CC[C@@H](Nc1c(Nc2c(C)ccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
N=C(NC(=N)N1CCN(C(=N)NC(=N)Nc2ccc(Cl)cc2)CC1)Nc1ccc(Cl)cc1,0,0,0,0
Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(Cl)cc3)nc2c1,0,0,0,0
COc1ccc(-c2c(-c3cc(Br)c(O)cc3O)n[nH]c2C)cc1,0,0,0,0
C=CCN1C=C2C(=O)C(C)(OC(=O)c3cccs3)C(=O)C=C2C=C1CCCC(=O)OC,0,0,0,0
COc1cccc2c1-c1c(ccn1CC(C)N)C2,0,0,0,0
CC(c1nc2c(c(=O)[nH]1)C1CCCN1C(=S)N2c1ccccc1)N1CCOCC1,0,0,0,0
CCOc1ccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c2c1,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3cccc(F)c3)c2C(=O)Nc2ccc(OC)cc2OC)C1,1,1,0,0
O=S1(=O)C=C(N2CCCC2)c2ccccc21,0,0,0,0
CCn1cc(CNC(=O)c2ccc3nc(Cc4ccc(OC)cc4)oc3c2)cn1,1,0,0,0
CCNC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4cccc(Cl)c4)cc(C)c3CC[C@@H]12,0,0,1,0
c1ccc2cc(CN3CCOCC3)ccc2c1,0,0,0,0
CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccccc1C(=O)O,0,0,0,1
CCc1ccc([N+]2=C3SCCCN3C(O)(c3cccs3)C2)cc1,0,0,0,0
Fc1cccc(Cl)c1CN1CCN(c2nc3ccccc3s2)CC1,0,1,0,0
CCOC(=O)c1ccccc1Cn1c(=O)nc(Nc2ccc(OC(C)C)c(F)c2)n(Cc2ccc(Cl)cc2)c1=O,0,0,0,0
O=C(NC1CC1)C1=CC(c2ccc(Br)cc2)CC(OCc2ccc(CO)cc2)O1,1,0,0,0
CN1C[C@@H]2CN(C(=O)c3nc4ccc(Cl)cc4[nH]3)C[C@@H]2C1,0,0,0,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCNc4ccccc4)ccc3OCC)nc12,0,0,0,0
N#C[C@@H]1C[C@H](NCC(F)(F)F)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1,0,0,0,0
Fc1cncc(CNc2ccc(Cc3c[nH]c4ncc(Cl)cc34)c(F)n2)c1,0,0,0,0
Cc1cc2c(cn1)C1CCC(CC2)N1,0,0,0,0
CC(C)(C)c1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(=O)O,0,0,0,0
CCCC(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,0,0,0,0
Cc1ccc([C@H]2CC3CCC([C@H]2c2onc(C)c2-c2ccc(F)cc2)N3C)cc1,0,0,0,0
Cc1cc([C@H](Nc2cccc([C@H](C)NCCC(=O)O)c2)C(F)(F)F)ccc1Cl,0,0,0,0
COCCn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCC(F)(F)F)c(=O)n2Cc1ccccc1,0,0,0,0
CNCCON=c1c2ccccc2ccc2ccccc12,0,0,0,0
Cc1cc2nc3c4ccccc4scc-3c2cc1C,0,0,0,0
Oc1cccc(Nc2ncc(F)c(Nc3ccc(OCc4nc(-c5ccccc5)no4)cc3)n2)c1,0,0,0,0
CCC(C)NC(=O)Cn1cnc2sc(C)c(S(=O)(=O)N3CCN(c4ccccc4OC)CC3)c2c1=O,0,0,0,0
CN1CCC(c2cc3c(-c4cccc(N(C)CCN5CCCC5=O)n4)ccnc3[nH]2)CC1,0,0,0,0
CCN(CC)C(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)C[SH]2[O],0,0,0,0
COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
CN1CCC(Nc2ccc(Nc3nccc(-c4cnc(N5CCC(F)(F)C5)c(C#N)c4)n3)cn2)CC1,0,0,0,0
Cc1nc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)co1,0,0,0,0
NC(=O)CSc1nnc(Cc2ccc3c(c2)OCO3)o1,0,0,0,0
CCCCCCOc1ccc(CN2CCN(C)CC2)cc1,0,1,0,0
CCOc1ccc(NC2=NC(=O)SC2CC(=O)OC)cc1,0,0,0,0
CCCOCCn1c(=O)nc(NCCO)c2nnc(-c3ccc(OC)nc3)cc21,0,0,0,0
CCN(CC)Cc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1sc2nc(-c3cccnc3)[nH]c(=O)c2c1-c1ccccc1,0,0,0,0
[O-][n+]1ccc(-c2noc(CCC3(c4ccccc4)CCCCC3)n2)cc1,0,0,0,0
Cc1ccc(-n2nc(C)c(Sc3ccccc3[N+](=O)[O-])c2N)cc1,0,0,0,0
O=C1N(Cc2cnc3cc4c(cc3c2)C[C@@]2(C4)C(=O)Nc3ncccc32)[C@H](c2cc(F)cc(F)c2)CCNC12CCCC2,0,0,0,0
CCCCC(=O)NC(c1ccc(N(CC)CC)cc1)c1ccc2cccnc2c1O,0,0,0,0
CN(C)S(=O)(=O)CCNC1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CCN1CCN(c2cc(-c3n[nH]c4ccc(OC)cc34)ncn2)CC1=O,0,0,0,0
CCOC(=O)c1cn2nc(Oc3cccc(C(F)(F)F)c3)ccc2n1,1,0,0,0
COC(=O)c1sccc1-n1cc(C#N)c(=O)n(C)c1=O,0,0,0,0
Cc1cc(OCCN2CCCCC2)nn1-c1ccc(Cl)c(Cl)c1,0,0,0,0
COc1ccc(N=C2CC(=C3C=CC(=O)C=C3)Oc3ccccc32)cc1,0,0,0,0
CCOc1cc(F)cc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)c(C)cc2C2CCCC2)n[nH]1,0,0,0,0
CC(C)(O)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,0,0,0,0
CCOc1ccccc1N1CCN(C(=S)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)CC1,0,0,0,0
CC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0,0,0,0
N#Cc1nccc2nc(NC3CC3)c(N3CCN(Cc4ccc(F)cc4F)CC3)nc12,0,0,0,0
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OP(C)(C)=O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,0,0,0,0
CS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
CC[C@@H]1C(=O)NN=C(c2ccc3nc(-c4ccccc4)oc3c2)[C@H]1C,0,0,0,0
CCCCCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1-c1ccccc1,0,0,0,1
CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(C)=O)C2c2ccccc2)cc1,0,0,0,0
CCCCOc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-],0,0,0,0
CCC(=O)O[C@H]1CC[C@@]2(C)[C@@H](C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@H]23)[C@]1(C)COC(C)=O,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5nnc(C6CC6)o5)CC4)ncn3)c2c1,0,0,0,0
Cn1nnc(CC[N+](C)(C)C)n1,0,0,0,0
O=C1C2C3c4ccccc4C(C2C(=O)N1c1ccc(OCc2ccccc2)cc1)[n+]1ccccc13,0,0,0,0
CC(C)N(C1=N/C(=C\c2ccco2)C(=O)N1c1ccccc1)C(C)C,0,0,0,0
CCN1C(=O)NC(c2ccc(Br)cc2)C(C(C)=O)=C1C,0,0,0,0
O=C(O)c1c(CCCOc2cccc3ccccc23)c2cccc3c2n1CCS3(=O)=O,0,0,0,0
O=C(CCC(=O)OCC(=O)c1ccc(Cl)cc1)Nc1ccc(Oc2ccccc2)cc1,1,0,0,0
CCn1c(-c2ccccc2)c(C(=O)CCl)c2ccccc21,0,0,0,0
COc1ccc(N(C(C)C(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1,1,0,0,0
Cc1cc2c(c(Oc3ccc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C(C)C)C2=O,0,0,0,0
Cc1ccc(N2C(=O)CC(N3CCc4ccccc43)C2=O)cc1Cl,0,0,0,0
COc1cccc2c1-c1nc(CCc3nc4c(C)ncc(C)n4n3)cn1C2,0,0,0,0
COC(=O)COc1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0,0,0
CN1C[C@@H]2CN(C(=O)c3nc4ccccc4[nH]3)C[C@@H]2C1,0,0,0,0
Cc1ccc(-c2cc(C(=O)N/N=C/c3c[nH]c4ccccc34)n[nH]2)o1,0,1,0,0
CC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0,0,0
COC(=O)c1sc2nc(SCc3ccccc3C#N)n(N)c(=O)c2c1C,1,0,0,0
O=C1C2CNNC2NC(=S)N1c1ccccc1,0,0,0,0
COc1ccc(NC2(C#N)CCCCC2)cc1,0,0,0,0
O=C(NCCO)C1CCC(c2ncc(-c3cccc(C(F)(F)F)c3)[nH]2)CC1,0,0,0,0
COCc1cc(C)nc2sc(C(=O)NC3CCCCC3)c(N)c12,0,1,0,0
O=C(/C=C/c1ccccn1)c1ccc(Br)cc1O,1,0,0,0
O=C1CC(c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1,0,0,0,0
CCCc1nc(C)c2c(NS(=O)(=O)C(C)C)nc3ccc(OC)nc3n12,0,0,0,0
O=c1ccc(-c2ccc(C(=C3CCN(CC4CC4)CC3)c3nc4cc(F)c(C(F)(F)F)cc4[nH]3)cc2)c[nH]1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)s1,0,0,0,0
O=C1CCCN1CN(C(=O)c1ccccc1)c1ccc(F)cc1,0,0,0,0
Nc1nc2ccc(-n3cnc4cc(-c5ccc(Cl)cc5)sc4c3=O)cc2[nH]1,0,0,0,0
CC(C)S(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
Cc1ccc(-c2nc3cccnc3o2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1,1,0,0,0
O=C1CC(c2c[nH]c3ccccc23)C(=O)N1,0,0,0,0
COc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)cc1,1,0,0,0
CNC(=O)CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
O=C(c1cc(Cc2c[nH]c(=O)c3cc(Cl)cn23)ccc1F)N1CCCNCC1,0,0,0,0
O=C(CSc1ccc(Cl)cc1)Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1,1,0,0,0
CCOCc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,0,0,0,0
CNC(=O)c1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
COc1ccc(C(=S)Nc2c(Cl)cccc2Cl)cc1OC1CCCC1,0,0,0,0
COc1ccc([N+](=O)[O-])cc1NC1CCCCC1,0,0,0,0
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1nccn1Cc1ccccc1,0,0,0,0
Cc1ccc(C)c(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1,0,0,0,0
COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)c(O)c(OC)c1,0,0,0,0
CCCN1CCO[C@@H]2c3cc(O)ccc3OC[C@H]21,0,0,0,0
O=C(CCN1C(=O)C(=CC=Cc2ccccc2)SC1=S)Nc1nccs1,1,0,0,0
C[C@H](Nc1nccc(N(CC2CCNCC2)C(=O)c2ccc3c(c2)CCO3)n1)c1ccccc1,0,0,0,0
Cc1ncc(CO)c(CNc2ccc(OCCCCCCC(=O)NO)cc2F)c1O,0,0,0,0
COC(=O)CC1c2ccccc2N=C(N(C)CCCCCN2CCCC2)N1c1ccc(-c2ccccc2)cc1,0,0,0,0
CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)C(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
CC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)c(F)c3)cnc2N)nn1,0,0,0,0
COc1nc(N(C)C)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCC(O)CC1)C2=O,0,0,0,0
O=C(O)CCC(C(=O)O)N1C(=O)C(=C2C(=O)Nc3ccccc32)SC1=S,0,0,0,0
O=S(=O)(Nc1nncs1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccn[nH]2)cc1F,0,0,0,0
Cn1nc2c(c1Cc1ccccc1)C[C@@H](N)C(=O)N2O,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(C#N)cc3-4)cc2)C1,0,0,0,0
C#CCOc1c(Cl)cc(C=C2C(=O)ON=C2C)cc1OC,0,0,0,0
COc1ccc(-c2nc3cnc(N(C)C)nc3n(CCC#N)c2=O)cc1,0,0,0,0
O=S(=O)(c1cccc2ccccc12)N(CCCN1CCN(c2ccccc2)CC1)CC1CC1,0,0,0,0
Cc1cc(C)n(-c2nc(NCC3CCCO3)c3c4c(sc3n2)COC(C)(C)C4)n1,1,0,0,0
O=C(N/N=C1\CCc2ccccc21)c1ccccc1O,0,1,0,0
C[C@H](Nc1nccc(-c2c(-c3ccc(F)cc3)ncn2Cc2ccc(C#N)cc2)n1)c1ccccc1,0,0,0,0
CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4cccc(C(=O)N(C)C)n4)c3c2)o1,0,0,0,0
Cc1cc(-c2nc3cnc(N4CCOCC4)cc3n2Cc2cccnc2)cn(C)c1=O,0,0,0,0
OC(CNC12CC3CC(CC(C3)C1)C2)COc1cccc2[nH]ccc12,0,0,0,0
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2C3CC4CC(C3)CC2C4)cc1F,0,0,0,0
O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccc(F)cc3)cc(-c3ccc(F)cc3)c2)c1CCC(=O)O,0,0,0,0
Cn1cccc1Cc1nnc(SCC(N)=O)n1CCc1ccccc1,1,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(Cl)c4)cn3)[C@H]12,0,0,0,0
NCCNc1ccc2c(S(=O)(=O)c3cccc4ccccc34)[nH]nc2c1,0,0,0,0
COc1ccc(C(=O)c2c[nH]c(C(=O)NCCCN3CCOCC3)c2)cc1,0,0,0,0
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OC(=O)C(C)(CO)CO)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C,0,0,0,0
CC1(C)C[C@](O)(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(-c4ccccc4F)c3)s2)CC[C@H]1C(=O)O,0,0,0,0
S=C1NCN(Cc2ccco2)CN1CCc1ccccc1,0,0,0,0
CCCN(CCC)C(=O)C(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C,0,0,0,0
CSc1nnc2c(n1)OC(c1ccccn1)N(C(C)=O)c1ccccc1-2,0,0,0,0
COc1cc(OCc2ccc(F)cc2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1,0,0,0,0
Cc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1,0,1,0,0
CCNC(=O)NC(=O)C(C)Sc1nc2cc(C(=O)OC)ccc2c(=O)n1-c1ccccc1,1,0,0,0
CCCCNc1nc2c(S(=O)(=O)c3ccccc3)nnn2c2ccccc12,0,0,0,0
CC(C)Oc1ncc(-c2nc(-c3ccc4c(c3)CCNCC4)no2)cc1C#N,0,0,0,0
NS(=O)(=O)c1ccc(-c2c(-c3ccccc3)noc2CF)cc1,0,0,0,0
CCCCCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,0,0,0,0
COc1ccc2c(c1)c1ncn(CC3CCCO3)c(=O)c1n2C,0,0,0,0
O=S(=O)(NCCn1ccc2ccccc21)c1ccc(F)cc1,0,0,0,0
Cc1ccc(CNc2cc(OC[C@@H]3C[C@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)c(C)n1,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(OC(F)(F)F)cc3)c(F)c2)CC1,0,0,0,0
COc1cc2c(Nc3cccc(Br)c3)ncnc2cc1OCCOCCn1ccnc1[N+](=O)[O-],0,0,0,0
CCC[C@H]1CC2N(C)C(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21,0,0,0,0
Cc1ccc(OCCNCCCOc2cccc(C)c2)cc1,0,0,0,0
Cc1ccnc(NC2(C(F)(F)F)N=C3SCCN3C2=O)c1,0,0,0,0
Cc1cc(O[C@@H](Cc2ccccc2)C(=O)O)ccc1-c1ccccc1,0,0,0,0
Cn1ccc2c(Cl)cnc(N(Cc3ccc(OC(F)(F)F)cc3)S(=O)(=O)c3ccc(C(=O)O)cc3)c21,0,0,0,0
CCC(=O)Nc1cccc(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)c1,0,0,0,0
COc1ccc(Cl)cc1-n1nnc(-c2nc(-c3ccccc3)no2)c1C,0,1,0,0
Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)ccc1F,0,0,0,0
O=c1c2oc3ccccc3c2n(Cc2cccc(C(F)(F)F)c2)c(=O)n1Cc1ccc2c(c1)OCO2,0,0,0,0
COc1ccccc1Nc1ccc2c(-c3ccccc3)n[nH]c2c1,0,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5F)CC4)ccc3c2=O)cc1,0,0,0,0
Cn1c(=O)c(Nc2ncc(F)cc2F)cc2cnnc(-c3ccc(F)cc3F)c21,0,0,0,0
Cc1csc(NC(=O)c2ccccc2O)n1,0,1,0,0
CC1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1,0,1,0,0
Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1,0,0,0,0
Cc1cc2ccc1[C@@H](C)COC(=O)Nc1ccc(C3(C(=O)O)CCOCC3)c(c1)CN(C)C(=O)[C@@H]2Nc1ccc2c(N)ncc(F)c2c1,0,0,0,0
CSc1nc(N2CCOCC2)c2c(c1C#N)CCCCC2,0,0,0,0
CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NC(C)C)c(C#N)cn1)CCC2,0,0,1,0
CC(=Nc1ccccc1)C1C(=O)CSC1=O,0,0,0,0
CCC1(C(=O)c2ccc(C)cc2)C2c3ccccc3OC(=O)C21C(=O)O,0,0,0,0
CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C)C(C)C,0,0,0,0
CC1=C(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)CCC1,1,0,0,0
CCOC(=O)c1cccc2c1-c1ccccc1C2(O)C(F)(F)F,0,0,0,0
Cc1cc(N2C(=O)C3C4C=CC(C4)C3C2=O)no1,0,0,0,0
O=C(Nc1cnc2ccccn12)N1CC2(CCN(Cc3cccc(Oc4ccc(Cl)cc4)c3)CC2)C1,0,0,1,0
C=CC(=O)N1CCC[C@@H](n2nc(-c3ccc(F)c4ccccc34)c3c(N)ncnc32)C1,0,0,1,0
Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2C)c(F)c(-c2cccc(F)c2)c1,0,0,0,0
O=C(O)CC1SC(=NN=C2CCCCCC2)N(c2ccccc2)C1=O,0,0,0,0
COC(=O)c1cccc(C(=O)N2CCCC(C(=O)c3ccccc3OC)C2)c1,0,0,0,0
COC(=O)C1(CCSC)NC(c2ccc(O)cc2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0,0,0
O=C(c1cccc(Br)c1)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(C)c3)CC1)CCC2,0,0,0,0
COCCCn1cnnc1SCc1nc2sc(C(C)=O)c(C)c2c(=O)[nH]1,0,0,0,0
CSc1cccc(CN2CCN(Cc3ccccc3)C(CCO)C2)c1,1,0,0,0
CC1CN=C(Nc2cccc3ccccc23)S1,0,0,0,0
Cc1cccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)c1,0,0,0,0
COCCOC(=O)C1=C(C)NC(=S)NC1c1cccs1,0,0,0,0
COC(=O)c1sc2nc3c(cc2c1N)C(=O)CC(C)(C)C3,0,0,0,0
O=C1CNC(=S)N1CCc1ccccc1Cl,0,0,0,0
COC1CCCN(C(=O)c2ccc(OC3CCN(S(=O)(=O)N(C)C)CC3)cc2)C1,0,0,0,0
C=CCn1cc(/C=N/N2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc21,0,0,0,0
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2n1,0,1,0,0
COc1ccc(Nc2nc(N)nc(CSc3nnc(-c4ccccc4)[nH]3)n2)cc1,0,0,0,0
COC(=O)N1CCc2nc(-c3cc(C(=O)N4CCC(c5ccc(C#N)cc5)CC4)c(C)cc3C3CC3)[nH]c2C1,0,0,0,0
COc1cc2ccccc2cc1OCCC1CCN(Cc2ccccc2)CC1,0,0,0,0
O=Cc1ccc2noc(-c3ccc(F)cc3)c2c1,0,0,0,0
CN(C)c1ccc(N2C(=O)CC(Nc3ccc(N4CCOCC4)cc3)C2=O)cc1,0,0,0,0
NC1(c2ccc(-n3c(C4CC4)nc4ccc(-c5cccc(N6CCOCC6)c5)nc43)cc2)CCC1,0,0,0,0
CSc1ccc(CNc2ccc(C)c(C)c2)cc1,0,1,0,0
CCOC(=O)c1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1,0,0,0,0
COc1ccc(S(=O)(=O)N2c3ccccc3CCC2CCS(=O)(=O)N2CCC(NC3CCC3)CC2)c(OC)c1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccccc2)c1Cl,0,0,0,0
N=C(N)SCc1nc2ccccc2c(=O)n1-c1ccccc1Cl,0,0,0,0
COC(=O)c1sccc1N/N=C(\C)c1ccc(F)c(Cl)c1,1,0,0,0
O=C(N1CCOCC1)N1c2ccccc2CC(N2CCOCC2)c2ccccc21,1,0,0,0
CCOC(=O)N1CCN(C(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)CC1,1,0,0,0
O=C(O)c1csc([C@H]2CC[C@@H]3[C@@H](CCOc4ccccc4)[C@H](O)C[C@@H]3O2)n1,0,0,0,0
CCCCCNC(=O)C(=O)C1C(=O)Nc2ccccc21,0,0,0,0
CCc1nc2cc(Cl)c(/C=C/C(=O)NO)cc2c(=O)n1CCc1ccccc1,0,0,0,0
COc1ccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)cc1F,0,0,0,0
CC(C)Oc1ccccc1-n1nc(OC2CCN(S(=O)(=O)C(C)C)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
Cc1noc2ncnc(Oc3ccc(Cl)cc3Cl)c12,0,0,0,0
CN[C@@H]1CCN(c2nc(N)nc3c2CCCC32CCCC2)C1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCCO)c(OC)c1,0,0,0,0
CNc1nc2[nH]c(-c3ccccc3F)cc2c2c1ncn2C,0,0,0,0
CC(=O)N(C)CCOc1cc(Cl)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Nc1nc(-c2ccc(P(=O)(O)O)o2)c(I)s1,0,0,0,0
COc1cc(CN(C(=O)c2ccc(C)cc2)c2ccccn2)cc(OC)c1OC,0,0,0,0
CC(C)OP(=O)(OC(C)C)C1(O)C(=O)Nc2ccccc21,0,0,0,0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCO,0,0,0,0
CCOc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(c3ccccc3)=NC2=O)cc1,0,0,0,0
Cc1nc(Nc2ccccc2)sc1-c1ccccc1,0,1,0,0
O=C(O)c1sccc1SCc1ccc(Cl)cc1Cl,0,0,0,0
O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CNC(C(F)F)C2,0,0,0,0
O=C(/C=C/c1ccc(Br)cc1)NC(=S)N1CCOCC1,0,1,0,0
CC(C)CCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC2CCOC2=O)cc1,1,0,0,0
OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3nnc4ccccc4n3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CCOC(=O)N1CCc2c(sc3nc4n(c(=O)c23)N=C(C)CS4)C1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)cc1,0,0,0,0
c1ccc(-n2cccn2)c([C@@H]2Cc3nccn3C2)c1,0,0,0,0
CC(C)SC1NC2C(N)NCN(Cc3ccccc3)C2N1,0,0,0,0
Cc1c(O)c(O)c2c(c1C=O)[C@@H]1O[C@H](O2)c2c(C)c(O)c(O)c(O)c2C1=O,0,0,0,1
COc1ccccc1-n1c(-c2cc(O)ccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12,0,0,0,1
Cc1ccc(-c2[nH]nc3c2C(c2ccc(OC(=O)N4CCOCC4)cc2)C(C#N)=C(N)O3)cc1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1cn(-c2ccccc2)nc1-c1cccs1,1,0,0,0
C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)CC3)cc2C1=O,1,0,0,0
Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1Cl,0,0,0,0
CCN(CC)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,0,0,0,0
O=C1Nc2ccccc2CCc2ccccc21,0,0,0,0
CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(C)c2n1,1,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(C)CO)CC1,0,0,0,0
CCCC[C@H](NC(=O)OC(C(C)C)C(C)C)C(=O)C(=O)Nc1nccs1,0,0,0,0
CC(SC1=NCCN1S(C)(=O)=O)c1ccccc1,0,0,0,0
CCOC(=O)c1sc(NC(=O)CCCCl)nc1C,0,0,0,0
COc1ccc(C2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc1,0,0,0,0
O=C(Oc1ccccc1)N1CCCC2(CCN(Cc3ccccc3)C2)C1,1,0,0,0
CCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1,0,0,0,0
Cc1cc(C(F)(F)F)nc2c3c(nn12)CN([C@H]1CC[C@H](c2cc(F)c(F)cc2F)[C@@H](N)C1)C3,0,0,0,0
CC(C)(C)c1ccc(-c2nc3n(c(=O)c2C#N)CCS3)cc1,0,0,0,0
COc1cccc(C(=O)OCC(=O)c2ccc(Br)s2)c1,0,1,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCC(CCO[N+](=O)[O-])CC2)C(=O)N1,0,0,0,0
CCC(C)NC(=O)CN1C(=O)CSc2ccc(S(=O)(=O)N3CCCC3)cc21,0,0,0,0
COc1ccc(-c2cc(=O)[nH]c(=S)n2CC(=O)NCCN)c(OC)c1,0,0,1,0
CCCCOc1ccc(/C=N/NC(=S)Nc2cc(C)ccc2C)cc1,0,0,0,0
COC(=O)C1=C(C(=O)OC)C2N(C)c3ccccc3C23CC(C(=O)OC)N(C(=O)c2cccs2)C3=N1,1,0,0,0
O=C(CCCCCCCC(=O)c1ccc(N2CCN(c3ccccc3)CC2)cc1)NO,0,0,0,0
CCC(C)c1ccc(NC(=O)Nc2cccnc2)cc1,0,1,0,0
Nc1ncc(S(=O)(=O)NCc2ccc(Cl)cc2)cn1,0,0,0,0
CCCn1[nH]cc(SC)c(=O)c1=O,0,0,0,0
CCCC(CCC(=O)Nc1nccs1)C(=O)O,0,0,0,0
COc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3CCc3ccccc32)cc1,0,0,0,0
Cc1cccc(OCC(=O)NC(C)C(=O)N/N=C/c2c(OCc3ccccc3)ccc3ccccc23)c1,1,0,0,0
CCCCc1nn(Cc2ccc3ccccc3c2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
C[C@@](C(=O)O[C@H]1C[N+]2(CCc3c[nH]c4ccccc34)CCC1CC2)(c1ccccc1)N1CCCCC1,0,0,0,0
O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3c(F)cccc3F)cc2)cc1,0,0,0,0
Cn1c(C=Cc2cccc([N+](=O)[O-])c2)c([N+](=O)[O-])c(=O)n(C)c1=O,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)F)c1,0,0,0,0
NC(=O)c1cccc2[nH]n(C3CCN(CC4CC=CCC4)CC3)c(=O)c12,0,0,0,0
COc1ccc(OC)c2c(=S)c3ccccc3[nH]c12,0,0,0,1
Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(O)nc2c1,1,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(Br)c(C=O)nc32)ncc1C#N,0,0,1,0
COc1cccc2c1ncc1c(=O)n(-c3ccc(Cl)cc3)c(=O)n(C3CCC(C)CC3)c12,0,0,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3c(Cl)cccc3c2=O)cc1,0,0,0,0
CCNC(=S)N1CCN(CCN=CC2=C(O)CC(c3ccco3)CC2=O)CC1,0,0,0,0
O=C1N=C(c2ccccc2)NC1(NS(=O)(=O)c1ccc(Cl)cc1)C(F)(F)F,0,0,0,0
Cc1c(N=c2scc(-c3ccccc3)n2C)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CN(C[C@H](CC1CCCCC1)N(C[C@H](Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O,0,0,0,0
CC(C)(C)OC(=O)NC1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccccc3)n2)CC1,0,0,0,0
CCN(CC)c1ccc(NC(=O)COC(=O)C=Cc2nc3ccccc3s2)cc1,1,0,0,0
Cn1cc(-c2ccc3nnc(Cc4ccc5ncccc5c4)n3n2)cn1,0,0,0,0
CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3cnc4ccncc43)nc2n1C,0,0,0,0
CCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3Cl)cc12,0,0,0,0
COc1ccc(CCc2cc(OC)cc(=O)o2)cc1,0,0,0,0
COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc4C3)o2)cc1,1,0,0,0
CN(Cc1ccccc1)Cc1ccc(-c2cc3cc(N)ccc3oc2=O)cc1,0,0,0,0
CCC(=O)Oc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC(=O)CC)c(OC(=O)CC)c2)cc1OC(=O)CC,0,0,0,0
COc1ccc(CNC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1,0,0,0,0
Cn1cnnc1SCN1C(=O)c2ccccc2S1(=O)=O,0,0,0,0
CCOP(=O)(OCC)C(Nc1cccc(C(F)(F)F)c1)c1ccc(C)cc1,1,0,0,0
O=C(c1ccccc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1,0,0,0,0
Nc1o[nH]c(=O)c1Cc1ccccc1,0,0,0,0
CCOC(=O)c1csc(N)n1,0,1,0,0
CCc1nnc2c(Nc3ccc(Br)c(C)c3)nc3ccccc3n12,0,0,0,0
CCN(C(=O)Cn1nc(C)n2c(cc3cc(C)ccc32)c1=O)c1ccccc1,1,0,0,0
C=CCn1c(SCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2CCC)nnc1-c1ccccc1,0,0,0,0
Cc1nc2ccc(C)c(Sc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,0,0,0,0
COc1ccccc1NC(=S)NCCC(c1ccccc1)c1ccccc1,0,0,0,0
COc1ccccc1N1N=C(c2ccc([N+](=O)[O-])cc2)CC1c1ccccc1,0,0,0,0
Nc1ccc(-c2ccc3cccc(-c4cc5c([nH]4)CCNC5=O)c3n2)c(F)c1,0,0,0,0
O=C(O)C(=O)C(=Cc1cccc2ccccc12)c1ccc2ccccc2n1,1,0,0,0
COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)cc1,1,0,0,0
COc1cccc2c1nc(N)n1nc(CN3CCN(c4nsnc4Cl)C[C@H]3C)nc21,0,0,0,0
COc1ccccc1OCCNC(=O)c1ccc2c(c1)CCC2,0,1,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2C2N[C@H](C(N)=O)CS2)cc1,0,0,0,0
Cc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,0,0,0,0
COc1cccc(CN2CCNC(=O)C2CC(=O)NC2CCCCCCC2)c1,1,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CCN1CCN(C(=O)c2cccc(OC3CCN(S(C)(=O)=O)CC3)c2)C(C)C1=O,0,0,0,0
O=C(Nc1noc2ccccc12)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1,0,0,1,0
CS(=O)(=O)NC1CCN(c2cc(-c3ccc(F)cn3)c(Cl)cn2)CC1,0,0,0,0
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(C)(C)CCC(OC(C)=O)C2(C)C23CCC(C)(C2)C(=O)CC13,0,0,0,0
CC(C)c1ccc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1,0,0,0,0
CCN(CC)CCOC(=O)c1cccc2c1-c1ccccc1C2O,0,0,0,0
O=C1CCCC2(CCN(c3cnc4ccccc4n3)CC2)N1Cc1cccc2[nH]ccc12,0,0,0,0
COc1ccccc1C(=O)NCC(=O)NC(C)CCc1ccccc1,0,1,0,0
CCOC(=O)c1c(S(=O)(=O)NC2CCN(C(=O)OCC)CC2)c(C)n(C)c1C,0,0,0,0
Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1C,0,1,0,0
CC(C)(C)CC(=O)Nc1nn[nH]n1,0,0,0,0
O=C(O)c1cc(NCc2ccccc2)ccc1N1CCOCC1,0,0,0,0
Oc1ccc2c(c1)O[C@@H](CN1CCc3ccccc3C1)CC2,0,0,0,0
O=C(OCC(=O)N1CCc2ccccc21)c1cncc(Br)c1,0,0,0,0
CCN(c1ccccc1C)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2,0,0,0,0
O=C(CSc1cccc2cccnc12)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1,1,0,0,0
CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1,0,0,0,0
CCOC(=O)c1oc2c(c1C)C(=O)CCC2,0,0,0,0
CN1C(=O)C(=O)c2cc(-c3cc4ncn(C)c(=O)c4c(NCCCO)n3)ccc21,0,0,0,0
CSc1nc(=O)n(-c2ccccc2)c(C)c1C(C)=O,0,0,0,0
CCN(CC)CCCN(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C(=S)Nc1ccc(OC)cc1,0,0,0,0
Cc1nn2c(CN(C(=O)c3ccco3)c3ccccc3)nnc2c2ccccc12,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1,0,0,0,0
CNC(=C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0,0,0,0
C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccc3c(N)nc(Cl)nc3c2)c1,0,0,0,0
CC(C)(O)c1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
N#Cc1ccc2cc1Oc1ccc3cccc(c3c1)N1CCC(NCCc3cncn3C2)C1=O,0,0,0,0
CC(C)=CCn1c(N2CCC[C@H](N)C2)c(C#N)c2ncn(Cc3ncc4ccccc4n3)c(=O)c21,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccc(C)cc2)c1,0,0,0,0
Cc1cc(N2CCN(C)CC2)nc2ccc(NC(=O)c3ccc(Br)o3)cc12,1,1,0,0
O=S(=O)(c1cc(Cl)ccc1Cl)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
CNC(=O)Nc1cccc(-c2cc(-c3c(Cl)cccc3Cl)no2)c1,0,0,0,0
CC(C)(C)c1cc(CN[C@H]2C[C@](O)(CO)[C@@H](O)[C@H](O)[C@H]2O)cc(C(C)(C)C)c1O,0,0,0,0
CCCc1[nH]nc2c1C(c1ccc(SC)cc1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
Cn1c(=O)c(=O)n(C)c2cc(S(=O)(=O)N3CCCCCC3)ccc21,0,0,0,0
O=C(O)c1cccc(S(=O)(=O)N2CCc3ccc(-c4nn[nH]n4)cc3C2)c1,0,0,0,0
CCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21,0,0,0,0
CN(C)CCOC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
COc1ccc2c(c1)c(=O)c1c(NCC[N+](C)(C)[O-])ccc3nc(C)n2c31,0,0,0,0
O=C1c2ccc(C3CC3)cc2OCCN1c1cccc(-c2ncnc3[nH]c(-c4ccc(CN5CCOCC5)cc4)cc23)c1CO,0,0,0,0
Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)C(C)C)cc1,0,0,0,0
CC12CC3CC(C)(C1)CC(C(=O)N1CCC(N4C(=O)NC(=O)C4Cc4ccc(OS(=O)(=O)c5cccc6cnccc56)cc4)CC1)(C3)C2,0,0,0,0
Cc1ccc2ncnc(NCCCCCC(=O)O)c2c1,0,0,0,0
Cc1cc(C)cc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)c1,1,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F,0,0,0,0
O=C1C2C3C=CC(CO)(O3)C2C(=O)N1c1ccc(-c2ccccc2)cc1,0,1,0,0
CC1=C2CCc3cc(OCc4cc(C(F)(F)F)ccc4C(F)(F)F)ccc3N2CCC1=O,0,0,0,0
COc1ccc2c3c1OC1C(=O)CCC4C(C2)N(C)CCC314,0,0,0,0
O=C1c2ccccc2NC(c2ccc(Cl)cc2Cl)N1Cc1ccccc1,1,0,0,0
CN1CCN(C2=Nc3cc(Cl)ccc3Oc3c(F)cccc32)CC1,0,0,0,0
COC(CNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1)OC,0,0,0,0
CC(C)Oc1ccc(Nc2nc(=O)n(Cc3ccccc3C(=O)O)c(=O)n2Cc2ccc(Cl)cc2)cc1F,0,0,0,0
O=C1C=CC(=NNc2ccc3c(c2)OCO3)c2ccccc21,0,0,0,0
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c(C)o1,0,0,0,0
Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)CC2c1cccc(F)c1,0,0,0,0
O=C(c1cccc([N+](=O)[O-])c1)N1CCCC(C(=O)N2CCCCC2)C1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN(Cc2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC[C@H]3C(N)=O)cc2n1,0,0,0,0
Cc1ccc(-n2c(-c3ccc(Br)cc3)nc3c(cnn3-c3ccccc3)c2=O)cc1,0,0,0,0
CSc1nc(=O)c(CCOC(=O)c2cccc(C)c2)c(C)[nH]1,0,0,0,0
COc1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCCO)CC(=O)N32)c(OC)c1,1,0,0,0
CCCn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl,0,0,0,0
C[C@@H]1CC2(Cc3ccc(C#N)cc3[C@@]23N=C(N)N(CCc2ccncc2)C3=O)C[C@H](C)C1O,0,0,0,0
Cc1c(CN2CCN(c3ccccc3)C2=O)ncn1C,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccc(OC)cc23)C1,0,0,0,0
Cc1nc2sc(C(N)=O)c(N)c2c(C)c1CC(=O)c1ccccc1,0,1,0,0
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(C(F)(F)F)cc2N2CCOCC2)CC1,0,0,1,0
O=C(CCN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccccc1F,1,0,0,0
O=C1CCC2(CCCCC2)c2sc(-c3ccncc3)cc21,0,0,0,0
CCOc1ccc(Nc2nc3ccccc3n3c(CC)nnc23)cc1,0,0,0,0
CCC(CC)C(=O)Nc1nc(-c2ccccc2)cc(-c2ccccc2)n1,0,0,0,0
CCOCc1c(-c2cc3cc(C)cc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1,0,0,0,0
Cn1c(N=Cc2ccc([N+](=O)[O-])cc2)c(N)c(=O)n(C)c1=O,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)CNC(=O)CNC(=O)[C@@H](C2CCCCC2)NC(=O)CCSSC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O,0,0,0,0
O=c1cc(C(F)(F)F)c2ccc(NC3CCCCC3)cc2[nH]1,0,0,0,0
Cc1ccn2cc(C(=O)Nc3ccccc3N3CCOCC3)nc2c1,0,1,0,0
O=C(OCC(=O)N1CCN(c2ccccc2)CC1)c1ncc(Cl)c(Cl)c1Cl,0,0,0,0
Cc1cc(NC2CCCCC2)nc(N2CCOCC2)n1,0,0,0,0
CCOC(=O)C1=C(O)C(=O)N(Cc2ccccc2)C1,0,0,0,0
CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
Cc1ccc2nc(C)c3nnc(-c4cc(OC5CCC(F)(F)CC5)ccc4Cl)n3c2n1,0,0,0,0
CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2ccccc2F)C(=O)O)cc1,0,0,0,0
CC(C)C[C@H]1NC(=O)[C@H](CC(C(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](Cc2ccc3ccccc3c2)NC(=O)CNC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)C2(CCCCC2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,0
CNc1ccnc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)c1,0,0,0,0
CCCn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O,0,0,0,0
COc1ccc(C2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3s2)cc1,1,0,0,0
C=CCOC(=O)C(=O)C=Cc1ccc2c(c1)Cc1ccccc1-2,0,0,0,0
CC(C)C1(O)CCC(N(C(=O)c2ccc([C@](C)(O)C(F)(F)F)cc2)C2CC2)CC1,0,0,0,0
CN(C)c1ccc(/C=N/NC(=O)c2ccc(CN3C(=O)c4cccc5cccc3c45)cc2)cc1,1,0,0,0
CCOC(=O)N1CCN(C(=O)C2CC(=O)N(c3ccc(OC)cc3)C2c2ccc(OC)cc2)CC1,1,0,0,0
CC[C@@H]1[C@@H]2Cc3c(C(=O)O)n[nH]c3[C@H]12,0,0,0,0
O[C@H](COc1cccc2[nH]ccc12)CN1[C@@H]2CC[C@H]1CC(c1cc3ccccc3s1)C2,0,0,0,0
COc1ccc(C2CC(c3ccc(F)cc3)=NN2c2ccccc2)cc1OC,0,0,0,0
O=C(c1cc(-c2ccc(O)cc2)on1)N1CCCc2ccccc21,0,1,0,0
Cl.Nc1ccc(-c2nc3c(ccc4ccccc43)[nH]2)cc1,0,1,0,0
FC(F)(F)c1cc(COCC2(c3ccccc3)CCC(N3CCCCC3)C2)cc(C(F)(F)F)c1,0,0,0,0
Cc1cc(OCCCS(C)(=O)=O)cc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(C(=O)N3C[C@H](NC(=O)[C@H](C)NC)C(=O)N(Cc4c(OC)ccc5cc(Br)ccc45)c4ccccc43)n2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccco1)C(=O)N[C@H](C=O)C[C@@H]1CCNC1=O,0,0,1,0
Cc1cc2oc(C(=O)N(Cc3cccs3)C3CCS(=O)(=O)C3)cc(=O)c2cc1Cl,1,0,0,0
COC1=C2C[C@H](C)C[C@H](OC)[C@@H](O)[C@@H](C)C=C(C)[C@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(-c2ccccc2OC)c1,0,0,0,0
CCC(=O)OCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12,0,0,0,0
COc1ccc(C(CC(=O)O)c2ccc3c(c2)OCO3)cc1,0,0,0,0
CN(C)c1ccc(/C=C(\C#N)c2ccccn2)cc1,0,1,0,0
CC(C)c1cccc2c1C(=O)N(COc1cccc(S(=O)(=O)N(C)CCN(C)C)c1)S2(=O)=O,0,0,0,0
COc1ccccc1-c1c[nH]nc1-c1ccc(O)cc1O,0,0,0,0
CC(C)C(=O)N1c2nc(C(C)C)nn2C2(CCCCC2)C2CCCCC21,0,0,0,0
CC(=O)COc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
CC(=O)C1CCN(CCOc2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1,0,0,0,0
C=CCC1(CC=C)CCCN1C(=O)CC1C(=O)NCCN1Cc1ccccc1OC,0,0,0,0
O=C1C2Nc3ccc([N+](=O)[O-])cc3N=C2OC1c1ccc(C2OC3=Nc4cc([N+](=O)[O-])ccc4NC3C2=O)cc1,0,0,0,0
CCOc1ccc(-c2n[nH]c(C)c2-c2ccccc2OC)c(O)c1,0,0,0,0
CS(=O)(=O)NC(=O)CCC/C=C\C[C@H]1C(=O)C[C@@H](O)[C@@H]1/C=C/[C@@H](O)COc1ccccc1,0,0,0,0
COCc1cccc2c1-c1ccc(C(=O)NC(=N)N)cc1C2O,0,0,0,0
Cc1cc2c(cc1S(=O)(=O)Nc1cccc(C#N)c1)OCC(=O)N2,0,0,0,0
Cc1ccc(S(=O)(=O)NC(N)=NCCc2ccc(Cl)cc2)cc1C,0,0,0,0
CCN1CCN(Cc2ccc(C)cc2)CC1,0,0,0,0
ClC1=CCCCC1,0,0,1,0
NC(=O)Cc1nc(=O)c2c(-c3ccc(Cl)cc3)csc2[nH]1,0,0,0,0
O=C1C(Nc2ccc(Br)cc2)=C(NS(=O)(=O)c2ccccc2)C(=O)c2ccccc21,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C)cc21,0,0,0,0
CN1C(N)=N[C@](C)(c2sc(-c3nnc(-c4ccc(-c5ccon5)cc4)o3)cc2Cl)CS1(=O)=O,0,0,0,0
O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCN(c2ccccc2)CC1,1,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)(C)C#N)CC2)c1F,0,0,0,0
CCc1cc(C2CCC2)c(-c2nc(OC)n[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
Cc1ccc(C)c(Cn2c(CN(C)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)c1,1,0,0,0
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
CC1=CC2OC(=O)C(C)C2CCC(C(=O)O)=CCC1,0,0,1,0
CCn1nc(S(=O)(=O)c2ccccc2)c2cc(N3CCNCC3)ccc21,0,0,0,0
CCN(CC)c1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)o1,0,1,0,0
CC(C)OC(=O)CC(=O)c1sc2nc3c(cc2c1N)CN(C)CC3,1,0,0,1
Cc1ccc(Sc2cc3c(cc2NS(C)(=O)=O)CCC3=O)nc1,0,0,0,0
COc1ccc(NC(=O)N2CCN(c3cc(-c4noc(C)n4)ccc3C)CC2)c(OC)c1,1,0,0,0
Cn1ccc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4n3)cccc21,0,0,0,0
CCC(=O)NC1CCCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21,0,0,0,0
CN(Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0,0,0,0
N#Cc1cccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)c1,0,0,0,0
Cc1ccc(Nc2nc(Oc3ccc(=O)[nH]n3)nc(N(C)C)n2)cc1,0,0,0,0
Cc1cccc(C)c1N1C[C@@](CN(C)C2CCC2)(C(=O)Nc2cc(OC(C)C)cc(C(F)(F)F)c2)[C@H](C)C1=O,0,0,0,0
O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4ccc(F)cc4)CC3)cc2N1,0,0,0,0
CC(=O)N1CCN(c2nc(-c3cccc4[nH]cc(C)c34)nc3c2CN(c2cc(C(C)C)ccc2C)CC3)CC12CC2,0,0,0,0
CC(=O)OC1c2c3c(cc(O)c2C(=O)OC1C)OC1(C)C(O)CC2C(C)(C)C(=O)C=CC2(C)C1C3,0,0,0,0
CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1,1,0,0,0
O=C(CC1C(=O)NCCN1Cc1ccc(F)cc1)NC1CCCCCCC1,1,0,0,0
Cc1ccc(CN2C(=O)CN(C3CCC(C)CC3)C(=O)C2c2ccc(F)cc2)cc1,0,0,0,0
O=c1[nH]c2ccc(Cl)cc2c2nc(-c3ccco3)nn12,0,0,0,0
COc1ccc2c(c1)C(=O)N1C3c4cc(OC)ccc4OCC3C(c3ccccc3)C1(C)C(=O)N2,1,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2cccs2)c[nH]1,0,0,0,0
CSc1ccc(N2C(=O)C(=O)C(C(=O)CC(C)C)C2c2ccccc2OCC#N)cc1,0,0,0,0
Cc1[nH]c2c(C(=O)NCc3ccccc3Cl)cnn2c(=O)c1Cl,1,0,0,0
O=C(Oc1ccccc1)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
O=C(Nc1cnc2[nH]ccc2c1)N1CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)CC1,0,0,1,0
COc1ccc(OC)c(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1,0,0,0,0
CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1,0,0,0,1
O=C(C=Cc1ccco1)NC(=S)Nc1cccc([N+](=O)[O-])c1,1,0,0,0
C=CCSc1nc2sc(C)c(C)c2c(=O)n1N,0,0,0,0
COCCNc1cc(NC(=O)c2cnn3ccc(C=O)nc23)ncc1C#N,0,0,1,0
CC(C)CC(CC(=O)NC(CC(=O)NC1CCCCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1c[nH]c2ccccc12)C(C)C)NC(=O)C1CNCCC1N,1,0,0,0
C=C(F)CN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN,0,0,0,0
Cc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1-c1ccccc1,0,0,0,0
N#C/C(=C\c1cc(O)c(O)c(Br)c1)S(=O)(=O)/C(C#N)=C/c1cc(O)c(O)c(Br)c1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5nccc(F)n5)cc4Cl)cc3c2n1C1CCN(C(=O)CO)CC1,0,0,0,0
CCOC(=O)c1cnc(SCC(=O)N2CCOCC2)nc1N,1,0,0,0
COC1CCN(c2cnc3ccc(-c4cnc(Cl)c(NS(=O)(=O)c5ccc(F)cc5)c4)cc3n2)CC1,0,0,0,0
CC(Nc1nccc(N2C(=O)OC[C@H]2C(C)C)n1)c1nc2ccccc2s1,0,0,0,0
c1ccc(N2CCC3(CCNCC3)CC2)nc1,1,0,0,0
CSc1nccc(-c2c(-c3ccc(Cl)cc3)noc2C)n1,0,0,0,0
CCCOc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
CCOc1ccc(C2CC(=O)Nc3[nH]c(SCc4ccccc4C)nc(=O)c32)cc1OC,1,0,0,0
COc1ccc(NC(=O)C2CCCN(S(=O)(=O)c3cccc4cccnc34)C2)cc1OC,1,0,0,0
CCN(Cc1ccncc1)Cc1nc(Cc2ccccc2Cl)no1,0,0,0,0
O=C1CC(c2ccccc2)CN1c1cnc2c(N3CCCNCC3)cccc2c1,0,0,0,0
COc1nn2cc(-c3nc4cc(F)c(F)cc4o3)nc2s1,0,0,0,0
Cc1cccc2cc(CN(C(=O)c3cccs3)c3ccccc3)c(=O)[nH]c12,0,0,0,0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1ccc(Cl)cc1)C(F)(F)F,0,0,0,0
COc1ccc(N2CCN(CCNC(=O)c3c(C)cc(=O)oc3C)CC2)cc1,1,0,0,0
Cc1ccc(-c2csc(N/N=C/c3ccco3)n2)cc1,1,1,0,0
COc1ccc(CN(C(=S)Nc2ccccc2)C2CC(=O)N(c3ccc(Cl)cc3)C2=O)cc1,0,0,0,0
O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1CC1CCCO1,0,0,0,0
CCCOc1ccccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0,0,0
CC(N)=C(C#N)C(=O)COc1ncnc2ccc(Br)cc12,0,0,0,0
O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccc2)cc1,0,0,0,0
COc1ccc(C(=O)OC2CCCCC2CN(C)C)cc1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)/C=C/CN(C)C)c3)c12,0,0,0,0
CC(C)(C)CCC1([C@H](O)/C=C/[C@H]2COC(=O)N2CCSc2nc(C(=O)O)cs2)CCC1,0,0,0,0
COCCNc1cc(NC(=O)N2CCCc3cc(N4CCOC4=O)c(C=O)nc32)ncc1C#N,0,0,0,0
CCCCc1nc2nc[nH]c2c2nc(C)nn12,0,0,0,0
N=C1S/C(=C\c2ccccc2F)C(=O)N1c1ccc(F)cc1,1,0,0,0
COc1ccc(/C=N/NC2=NCCCCC2)c(OC)c1.Cl,0,1,0,0
CC(C)(O)CN1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
CCC(C)(C)NC(=O)C(c1cccc(OC)c1OC)N(Cc1ccccc1)C(=O)CCC(=O)Nc1cc(C)on1,1,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)O)cc1,0,0,0,0
Cc1cccc(OCC2CC3CCC2N3C(=O)c2ccccc2-c2nc(C)no2)n1,0,0,0,0
CCOc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc([C@@H](O)C(F)F)cc2)c1,0,0,0,0
COc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2Cl)cc1OC,0,0,0,0
c1ccc(CN2CCC3(CC2)CC3CNc2ccccc2N2CCCCC2)cc1,0,0,0,0
Cc1ccc(C(=O)C(C)OC(=O)CCN2C(=O)C3C4C=CC(C5CC45)C3C2=O)cc1,1,0,0,0
CC(=O)C1=C(O)C(=O)N(c2cccnc2)C1c1ccc(Cl)cc1,0,0,0,0
CSc1cn2c([n+]1C)CCC2,0,0,0,0
N#C[C@@H]1C[C@@H](O)CC[C@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)c(Cl)c2)n1,0,0,0,0
N#Cc1ncc2nc1OCCCCOc1cc(NC(=O)OCCN3CCOCC3)c(Cl)cc1NC(=O)N2,0,0,0,0
Nc1nn(-c2ccccc2)nc1C(=O)OCc1ccccc1,1,1,0,0
c1ccc(-c2cc3ccccc3[nH]2)cc1,0,1,0,0
C[C@@H](CO)NC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
CN1CCCC(c2nc3ccccc3n2CC2CCCO2)C1,0,0,0,0
COc1cccc(-c2n[nH]c(Cc3ccc4ccccc4c3)n2)c1,0,0,0,0
CC(C)C1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1,0,0,0,0
NC1=Nc2cc(F)c3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3,0,0,0,0
CCc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1,0,0,0,0
O=C(c1cccc(Cl)c1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1,0,0,0,0
COc1ccc(S(=O)(=O)NC(N)=NCCc2ccc(OC)c(OC)c2)cc1,0,0,0,0
CNC(=O)c1cccc(OCCCCN2CCN(c3nsc4ccccc34)CC2)c1,0,0,0,0
O=c1[nH]c2ccc(-c3cn[nH]c3)cc2cc1-c1cc2cc(CN3CCCCC3)ccc2[nH]1,0,0,0,0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2CCC1CO1,0,0,0,0
c1ccc2c(COn3nnc4ccccc43)cccc2c1,0,1,0,0
CN[C@@H](C)C(=O)N[C@@H](CNC(=O)c1ccc(S(=O)(=O)F)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(N)=O,0,0,1,0
COCCN(C(=O)C1CC1)c1nnc(-c2cccc(C)c2)s1,1,0,0,0
CON(C)c1nc(OCCNC(=O)OCc2ccc(Cl)cc2C)nc(N(C)C)n1,1,0,0,0
Fc1ccc(SCCCN2CCN(c3ccccn3)CC2)cc1,0,0,0,1
COC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Cl)cc(Cl)c1OC,0,0,0,0
CC(C)N1CCc2c(sc(NC(=O)c3nc4ccccc4s3)c2C(N)=O)C1.Cl,0,1,0,0
NC(=O)CC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CCCCN1C(=O)C(NC(C)=O)c2cc(Br)ccc21,1,0,0,0
c1ccc(-c2ccc(-c3ccc(C4=NCCN4)cc3)o2)cc1,0,0,0,0
CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CCCC4)cc3F)cnc12,0,0,0,0
CCCOc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1,1,1,0,0
COC(=O)C1=C(C)C(c2ccc(OC)cc2)NC(=O)N1,0,0,0,0
Cc1c(C(=O)NCCO)sc2ncnc(Nc3cccnc3OCC(F)F)c12,0,0,0,0
Cc1cc(=O)c(C(=O)O)cn1-c1ccc(C(C)C)cc1,0,0,0,0
COc1ccc(CCN(Cc2cc3cccc(C)c3n3nnnc23)C(=O)c2ccncc2)cc1OC,0,0,0,0
CN(C)CCNC(=O)CN1N=C(c2ccccc2)CCC1=O,0,0,0,0
COc1ccc(C(=O)C2CCN([C@H]3CCN(Cc4ccccc4)C[C@@H]3O)CC2)cc1,0,0,0,0
O=C(CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCO,0,0,0,0
Cc1cc(S(C)(=O)=O)ccc1Cn1c(C)c(CC(=O)O)c2cccnc21,0,0,0,0
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4cc(N)ccc34)nn2)CC1,0,0,0,0
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@H](C)F)n1)c1ccn(-c2ccc(C(F)(F)F)nc2)n1,0,0,0,0
N#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(F)c(F)c2)cc1,0,0,0,0
Cc1ccc2nc(-c3ccc(O)cc3)c(Nc3ccc4c(c3)OCO4)n2c1,1,0,0,0
NC(=O)C1(N2CCCCC2)CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1,1,0,0,0
CCCc1ccc(-c2noc3c2COc2cc(CN4CC(C(=O)O)C4)ccc2-3)cc1,0,0,0,0
O=C1COc2ccc(C3(O)c4ccccc4C(=O)N3Cc3cc(Br)ccc3F)cc2N1,0,0,0,0
N#Cc1ccc(Nc2ncc(Cl)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
c1cc(-c2ccc3c(c2)OCO3)nc(Nc2ccc3c(c2)OCO3)n1,0,0,0,1
C=C(C)COc1ccc(-c2n[nH]cc2-c2ccccc2OC)c(O)c1,0,0,0,0
CCN(CC)CCCN(C(=O)c1cccs1)c1nc(-c2ccc(OC)cc2)cs1,1,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C)CC1,1,0,0,0
COc1ccccc1-c1noc(-c2ccccc2C(=O)Nc2cccnc2)n1,0,1,0,0
COc1ccc(Br)cc1C(=O)Nc1cccc(NC(=O)c2ccco2)c1,1,1,0,0
Cc1cc(=O)nc(SCc2cc(=O)n3nc(C)sc3n2)[nH]1,1,0,0,0
O=C(COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)Nc1cccc(Cl)c1,1,0,0,0
COCCN1CCN(Cc2cn(C)nc2-c2cccc(Cl)c2)CC1,0,0,0,0
O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc(Br)ccc1O,1,0,0,0
Nc1ncnc2c1sc1cc(-c3ccc(O)cc3)ccc12,0,0,0,0
Cc1nn(-c2ccccc2)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12,1,0,0,0
CCOC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
CCCSc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1,0,0,0,0
COC(=O)c1cnc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)s1,0,0,0,0
CN(c1ncnc2[nH]ccc12)C1CC(NS(=O)(=O)N2C[C@@H]3C[C@]3(C#N)C2)C1,0,0,0,0
CCCc1nc(C)c2c(C)nc3cccnc3n12,0,0,0,0
Cc1ccc(NC(=S)N2CCC(c3nc4ccccc4s3)CC2)cc1C,0,0,0,0
CCCNCc1noc(Nc2nc(C)nc3c2c(C)nn3-c2ccc(OC)cc2C)n1,0,0,0,0
CC(=O)N1CCc2ccc(-c3cc(Nc4cccc(N5CCCC5C)n4)c4nccn4n3)cc2C1,0,0,0,0
CCCC(=O)NC(c1ccccc1)c1cc(Cl)c2cccnc2c1O,1,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3F)C2)cc1,0,0,0,0
Fc1ccc2c(C3CCN(CCCN4CCCCC4)CC3)c[nH]c2c1,0,0,0,0
COc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cnc(N(C)C)nc32)cc1,0,0,0,0
Nc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1S(=O)(=O)c1ccc(Br)cc1,0,0,1,0
COc1cc(C)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
COc1cc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2cc1OCCCCn1ccnc1[N+](=O)[O-],0,0,0,0
CCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1OCC(C)(C)C(=O)O)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
CC1(C)CC(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1,0,0,0,0
CCCOc1ccc(C=C2C(=O)ON=C2C)cc1OCC,0,0,0,0
CN1CCN(Cc2cnc(-c3oc4cnccc4c3Nc3ccc4c(O)cccc4c3)nc2)CC1,0,0,0,0
O=C1COc2ccc(OCc3ccc(F)cc3)cc21,0,1,0,0
CCN1C(=O)C(C)(C)C(=O)N(C)c2cc(CCCN(CCn3ccc4oc(C)cc4c3=O)Cc3ccncc3)ccc21,0,0,0,0
N#Cc1ccc(C2(CC3CCCCC3)c3ccccc3-c3nccn32)cc1,0,0,0,0
O=C(NCc1ccccc1Cl)c1ccc2ccccc2n1,0,1,0,0
COc1ccc(Cc2nnc(NC(=O)C(C)(C)C)s2)cc1,0,0,0,0
COc1ccc(CCNC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2ccc(Cl)cc2c1=O,0,0,0,0
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O,1,0,0,0
CS(=O)(=O)c1ccc(-c2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)cc1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3cccc(Cl)c3)c2=O)cc1,0,0,0,0
O=C(CCCc1ccc(CCCCc2ccccc2)cc1)NO,0,0,0,0
N#CCC(N)=NNc1nc2ccccc2nc1Cc1ccccc1,0,0,0,0
COC1(c2cc(F)cc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1,0,0,0,0
COc1ccc(Nc2ncc(C(C)C)c(Oc3cccc4c3C(=O)CC4)n2)cc1,0,0,0,0
CCOc1cccc(OCCCCn2ccnc2)c1,0,0,0,0
CCCCC(Sc1ccc(OCCCOc2ccc3ncccc3c2)cc1)C(=O)OCC,0,0,0,0
O=S(=O)(C1CCCCC1)N1CCc2c(ccnc2Nc2cnc3ccccc3c2)C1,0,0,0,0
Cc1cc(Cl)c(O)c(-c2cc3cc(C(=N)N)ccc3[nH]2)c1,0,0,0,1
Cc1ccc(-c2ccc3occ(-c4ccc([S+](C)[O-])cc4)c3c2)nn1,0,0,0,0
COC(=O)c1c(C)nc(=O)[nH]c1SCC(=O)Nc1ccc(C)cc1,1,0,0,0
N#Cc1c(-c2ccccc2)cc(-c2ccc[nH]2)nc1N,0,0,0,0
Cc1cc(C)c(-c2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
O=C(c1ccc(-c2ccccc2)cc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,0,0,0,0
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCCC(=O)O)C1=O,0,1,0,0
S=c1[nH]nc(-c2cccs2)n1/N=C/c1cccs1,0,0,0,0
NC1CS(=O)(=O)c2ccccc21,0,0,0,0
CCOc1cc(C=C2SC(=N)N(c3nccs3)C2=O)ccc1OCCN1CCOCC1,1,0,0,0
COC(=O)c1sccc1NC(=S)Nc1ccc(F)cc1F,0,0,0,0
COc1cc2nc(Nc3cccc(F)c3)nc(N)c2cc1OC,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OCC(F)(F)F)cc1,0,0,0,0
CN(C)c1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C,0,0,0,0
Cc1ccc(N[C@H](C)c2cc(C)c(Cl)c(C)c2)cc1CN1CC[C@@H](C(=O)O)C1,0,0,0,0
N#Cc1ccc(-c2ccc(C(=O)N(Cc3ccccc3-c3ccccc3F)c3ccc(N4CCNCC4)cc3)o2)cc1,0,0,0,0
CC(=O)Nc1cc(O)c2nonc2c1O,0,0,0,0
O=C(Nc1nccs1)c1ccc(-c2ccccc2[N+](=O)[O-])o1,0,1,0,0
CC(C)OCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccccc2)C1=O,1,0,0,0
Cc1ccc(C)c(-n2c(C)nc3ccccc3c2=O)c1,0,0,0,0
CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)CN)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,0,0,0,0
CCCCOc1c(Br)cc(C=C2N=C(C)OC2=O)cc1OCC,1,0,0,0
COc1ccc(C(=O)N(CCCc2cccc(OCC(=O)O)c2)CCC(c2ccccc2)c2ccccc2)cc1,0,0,0,0
Cc1nc2ccc(Oc3ccc(-c4ccccc4)cc3)nc2c(=O)n1C[C@H]1CCCN(C(C)C)C1,0,0,0,0
COc1ccc(C(=O)Oc2c(Sc3ccc(Cl)cc3)c(C)nn2C(C)(C)C)cc1OC,0,0,0,0
CN(C)c1nc(Oc2ccc(OCCOc3ccccc3)nn2)nc(N(C)C)n1,1,0,0,0
CN(Cc1c[nH]c2ccccc12)C1CCCCC1,0,0,0,0
Cc1nc(-c2ccc(S(=O)(=O)N3CCCN(CCc4ccccc4)CC3)s2)cs1,0,0,0,0
COc1ccc(C2C=C(c3ccccc3)N=C3NC(NS(=O)(=O)c4ccccc4)=NN32)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCNS(C)(=O)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1nccs1,0,0,0,0
Cc1cc(C2(C(C)C)OC(=O)NC2=O)c(=O)[nH]c1-c1ccc2ccccc2c1,0,0,0,0
CC(C)(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
COc1cccc(/C=N/NC(=O)CSc2nnc(C)n2-c2ccccc2)c1O,0,1,0,0
O=[N+]([O-])c1ccc(SCC2CCCCC2)c2nonc12,0,0,0,0
NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCCCC1)CCc1cccc(c1)O3,0,0,0,0
O=C1Nc2ccccc2C1=Cc1cnc(-c2ccccc2)[nH]1,0,0,0,0
CS(=O)(=O)N1CCC(CN(c2nc3cc(F)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1,0,0,0,0
CCCCCN1CC(=O)N2Cc3[nH]c4ccccc4c3CC2C1=O,0,0,0,0
C=CCNC(=O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1,0,0,0,0
Cc1nn2cc(-c3ccccc3)nc2s1,0,1,0,0
CCCN(C(=O)NC)C1CCN(CCC(CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
Cc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1,0,0,0,0
COc1cccc(C=NN2C(=O)CSC2=S)c1O,0,0,0,0
N#C/C(=C\C1CC1)C(=O)N1CCC[C@H]1Cn1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc21,0,0,1,0
C=C(C)COc1ccc(-c2n[nH]cc2Oc2ccccc2OCC)c(O)c1,0,0,0,0
Cc1c(C(=O)O)cccc1-c1cccc(Nc2nccc(C(F)(F)F)n2)c1,0,0,0,0
COc1cc2c(cc1OC)C(c1ccc(Cl)cc1)N(c1cccc(C#N)c1)C(=O)C2,1,0,0,0
COc1ccc(CCN2CCCn3c2nc2c3c(=O)n(Cc3ccccc3F)c(=O)n2C)cc1OC,1,0,0,0
Cc1ccc2cc3cc(C(=O)NCc4ccco4)oc3nc2c1,1,0,0,0
Cc1ccccc1NN=Nc1nc2c([nH]1)c(=O)n(C)c(=O)n2C,0,0,0,0
NC(=O)c1ccc(NCc2ccccc2F)c2cccnc12,0,0,0,0
C[C@@H]1CN(c2ccc(Cl)c(NS(=O)(=O)c3ccc(-c4ccco4)cc3)c2)C[C@H](C)N1,0,0,0,0
CCCCC1CN(C)CCc2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc21,0,0,0,0
CS(=O)(=O)c1ccc2nc(NC(=O)C3COc4ccccc4O3)sc2c1,0,1,0,0
Cc1nc2scc(-c3ccccc3)c2c(=O)o1,0,0,0,0
Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1C,0,0,0,0
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4CCN5CCC4CC5)cn3)nc2n1C1CCCC1,0,0,0,0
CCC(C)Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1OC,0,0,0,0
O=C(O)CCC(=O)NCc1cn(-c2ccccc2)nc1-c1cccc(Br)c1,1,0,0,0
CC(C)c1onc(-c2c(Cl)cccc2Cl)c1COc1ccc(N(C)Cc2ccc(OCCO)cc2)c(C(F)(F)F)n1,0,0,0,0
CCN(CCc1ccc(F)cc1)c1cc2nc(-c3ccco3)nn2c(N)n1,0,0,0,0
O=S(=O)(NC1(c2ccc(-c3nnc4n3-c3cccnc3Nc3ccccc3-4)cc2)CCC1)c1cccc(F)c1,0,0,0,0
C[C@]12CCC3c4ccc(O)cc4CCC3C1Cc1cn[nH]c12,0,0,0,0
N=C(N)c1ccc2[nH]c(-c3cccc(Br)c3O)cc2c1,0,0,0,1
COc1cccc(C(=O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1OC,1,0,0,0
COc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)NC2=S)cc1,0,0,0,0
Cc1nn(C)c(C(=O)NC2C3CC4CC(C3)CC2C4)c1Cl,1,0,0,0
Nc1ncc2ncnc(Nc3cccc(Br)c3)c2n1,0,0,0,0
COc1cccc(C2CC(=O)N=C3NN=C(c4ccccc4)C32)c1OC,0,0,0,0
Cc1ccc(C(=O)CC(c2cccs2)S(=O)(=O)c2ccc(C)cc2)cc1,0,1,0,0
Cc1cc(NCc2ccccn2)ccc1Br,0,1,0,0
CC[C@H](Nc1nc(NCc2ccncc2)c2ncn(C(C)C)c2n1)[C@@H](C)O,0,0,0,0
CS(=O)(=O)Nc1ccccc1-c1ccc2c(c1)sc1c(N)ncnc12,0,0,0,0
Cc1cccc(-n2c(O)c(C)c(=O)[nH]c2=S)c1,0,0,0,0
CCCCCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
CC(=O)OC/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C,0,0,0,0
Cc1ccc(S(=O)(=O)Cc2ccccn2)cc1,0,0,1,0
CN(C)CC1CC2c3cccnc3Cc3ccccc3N2O1,0,0,0,1
COc1ccc(CCNC(=O)CN(c2ccccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
C=CCOc1c(CNc2ccc(S(N)(=O)=O)cc2)cccc1OC,0,0,0,0
COc1ccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)cc1,1,0,0,0
CS(=O)(=O)Nc1cc2c(cc1Nc1ccc(F)cc1F)C(=O)CC2,0,0,0,0
Nc1nc2c(cnn2CC(=O)O)c2nc(-c3ccco3)nn12,0,0,0,0
COc1cc(C2CCC2)c2c(=O)oc(-c3cccnc3N3CCN(C4CCN(C)CC4)CC3)nc2c1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccccc2F)CC1,0,0,0,0
O=C(COc1ccccc1)N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1,1,0,0,0
CCOc1cccc(CNCCSc2nnnn2C)c1,0,0,0,0
CCOc1ccccc1N(CC)C(=O)c1cc2c(=O)n(CC)c3ccccc3c2s1,1,0,0,0
CC(C)Nc1nc(C(C)(C)C)nc2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)cc12,0,0,0,0
Cc1ccc(Cn2c(=O)n(Cc3ccco3)c(=O)c3ccccc32)cc1,0,0,0,0
COc1ccc2c(c1)-c1nc(CCc3nc4c(C)ncc(C)n4n3)cn1C2,0,0,0,0
COc1ccc(CN(Cc2ccc(C(=O)O)cc2)C(=O)c2ccc(Oc3ccccc3F)cc2)cc1,0,0,0,0
O=C(O)Cn1nnc(-c2cc(N3CC4CN(c5cc(F)ccc5Cl)CC4C3)no2)n1,0,0,0,0
O=C1Nc2cc(NC(=O)c3c[nH]cc(-c4ccc(Cl)cc4)c3=O)ccc2/C1=C/c1ccc[nH]1,0,0,0,0
Cc1nn(C)cc1/C=N/NC(=O)c1ccc2c(c1)OCO2,0,1,0,0
CCCNC1=NC(=Cc2ccco2)C(=O)N1c1ccccc1,0,0,0,0
Brc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,0,0,0,1
Cn1cc(-c2cc(F)c3nnc(Cc4ccc5nc(N)sc5c4)n3c2)cn1,0,0,0,0
CCCOC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)O,0,0,0,0
O=C(OC(C(F)(F)F)C(F)(F)F)N1CC(c2ccn(-c3cnccn3)n2)C1,0,0,1,0
Fc1ccc(-c2nnnn2Cc2cccnc2)c(Cl)c1Cl,0,0,0,0
COc1ccccc1N1CCN(Cc2ccn(-c3ccccc3C#N)c2)CC1,0,0,0,0
CCC(C)C(C)=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
CCN(CC)CCOC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
COc1cc(CNc2ccccc2SC)cc(OC)c1OC,0,0,0,0
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccc(Cl)cc2)n(C)c1=O,1,0,0,0
Cc1ccc(-c2noc(C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc1,0,0,0,0
Cc1cnccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2ncns2)cc1C#N,0,0,0,0
O=c1/c(=C\c2cccc(O)c2)sc2nc(-c3ccccc3)c(-c3ccccc3)n12,0,0,0,0
Cc1ccc2oc(=O)c(-c3cccc(OCc4cccc(F)c4)c3)cc2c1,0,0,0,0
Nc1c(Cl)cc(C2=NCCn3nc4cc([N+](=O)[O-])ccc4c32)cc1Cl,0,0,0,0
Cc1ccc(S(=O)(=O)c2c[nH]c(SCC(=O)Nc3ccc4c(c3)OCCO4)nc2=O)cc1Cl,1,0,0,0
COc1cc(CNc2ccc(N3CCCC3)cc2)ccc1OCc1ccccc1F,1,0,0,0
CC(C)(C)C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
COc1ccc(OCC(=O)NN=c2oc3c(OC)cccc3cc2C(N)=O)cc1,1,0,0,0
CCOc1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1OCC,0,0,0,0
COc1ccc(Cn2c(Nc3ccc(Oc4ncccc4C4CCOCC4)cc3)nc3ccccc32)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCC(=O)O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
Cc1ccnc(NC(c2ccccc2O)c2oc(CO)cc(=O)c2O)c1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2cccc(OC)c2)cn1C,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCC4(CN(C(=O)OC(C)(C)C)C4)C3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCN(Cc1cnn(C)c1)C(=O)c1ccc2nc(Cc3cccc(Cl)c3)oc2c1,1,0,0,0
CCCCNc1nnc(Cn2c(C)nc3ccccc32)s1,0,0,0,0
CC(=O)N[C@H]1CSSC[C@@H](C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC1=O,0,0,0,0
Cc1cccc2nc(CCc3ncc(-c4ccccc4)[nH]3)nn12,0,0,0,0
COc1ccc(C=Cc2nc(=O)cc(-c3ccccc3)[nH]2)cc1,0,0,0,0
Cc1ccc2cc(CN(CC3CCCO3)S(=O)(=O)c3ccccc3)c3nnnn3c2c1,1,0,0,0
O=C(CCNC1=NS(=O)(=O)c2ccccc21)OCC(=O)c1ccccc1Cl,1,0,0,0
CCOc1ccc(CSC2=NCCN2)cc1Cl,0,0,0,0
CCOC1=CC(=CCc2ccc3cccc([N+](=O)[O-])c3n2)C=CC1=O,0,0,0,0
CCC(CC)C(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0,0,0
CCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1,0,0,0,0
COc1ccc([C@@H](Cc2ccc(Cl)cc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,0,0,0,0
CN(C)Cc1cc(O)c2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(F)cc1F,0,0,0,0
COc1ccccc1-n1nc(OC2CCN(S(=O)(=O)C(F)(F)F)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
C=CC(=O)N[C@H]1CCN(c2nc(Nc3ccc(N4CCN(C)CC4)cc3)c3ncn(C(C)C)c3n2)C1,0,0,1,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
COC(=O)c1oc2c(c1C)C(=O)CCC2,0,0,0,0
Cc1no[n+]([O-])c1COc1cccc(C=NNc2nncn2N)c1,0,0,0,1
O=C(CCCCCNC(=O)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NO,0,0,0,0
CCc1c(C)[nH]c2ccc(-c3cc(C(=O)N4CCN(C5CCN(C(=O)C6CCN(C(C)=O)CC6)CC5)CC4)cc(-c4ccccc4)n3)cc12,0,0,0,0
COc1cc(/C=C/C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc(OC)c1O,1,0,0,0
Cc1oc(-c2cccc3ccccc23)nc1CN1CCCC1CO,0,0,0,0
O=P(O)(O)C(F)(Cc1cncc(-c2ccccc2)c1)P(=O)(O)O,0,0,0,0
CC(C)Nc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(OCCO)c2oc3c(c2c1)CNCC3,0,0,0,0
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3cccc4[nH]ccc34)CC1)C2,0,0,0,0
Cc1ccc(-c2n[nH]c(=S)n2/N=C/c2cccs2)cc1,0,0,0,0
CC(=O)c1c(COC(=O)c2ccccc2)nc2ccccc2[n+]1[O-],0,0,0,0
CCc1ccc(S(=O)(=O)/N=C2\C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1,0,1,0,0
O=C(C#CCO)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1,0,0,1,0
O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccccc1Cl)NO,0,0,0,0
O=C(O)c1ccccc1-c1ccc(C=C2SC(=O)N(c3ccccc3)C2=O)o1,0,0,0,0
COc1cccc([C@H](C)Nc2cc(-c3cccnc3)nc(C)n2)c1,0,0,0,0
O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(c2ncccn2)CC1,0,0,0,0
Cc1ccccc1-c1nc(CS(=O)(=O)CC(=O)NCCCc2ccccc2)c(C)o1,1,0,0,0
COc1ccccc1-c1nc(C#N)c(N2CCC(Cc3ccccc3)CC2)o1,0,0,0,0
Nc1nccc(-c2cc(-c3ccc(Cl)cc3Cl)no2)n1,0,1,0,0
Clc1ccc(C2(c3nnc4c(OC5CCC5)cccn34)CC2)cc1,0,0,0,0
CCCCOc1ccc(CNC(=O)CCCN2C(=O)CSc3c2c(C)nn3-c2ccccc2)cc1,1,0,0,0
CCOC(=O)CNC(=O)N1CCc2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,0,0,0,0
COc1ccc(CN(C(=O)c2ccc(C)cc2)c2cccc(N)c2)cc1,0,0,0,0
CCC(COC)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1,1,0,0,0
Cc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3)C2)nc(C)c1F,0,0,0,0
CC(=N)N1CCC(N(CCCC(=O)O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,0,0,0,0
CCN1CCN(C(=O)c2cc3c(=O)oc4ccc(C)cc4c3s2)CC1,0,0,0,0
O=C1NCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1c1ccc(F)cc1,0,0,0,0
COc1ccc(-c2nc(CSCC(=O)NCCc3ccc(OC)c(OC)c3)c(C)o2)cc1,1,0,0,0
CCc1cc2c(cc1N1CCC(NCCCO)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
COc1ccc(C)cc1S(=O)(=O)n1cnc2ccccc21,0,0,0,0
Cc1c(OC(C(=O)O)c2ccccc2)ccc2c3c(c(=O)oc12)CCC3,0,0,0,0
CN([C@@H]1CCc2c(c3ncccc3n2CC(=O)O)C1)S(=O)(=O)c1ccc(F)cc1,0,0,0,0
Cc1c(CNC2CCCC2)oc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,0,0,0,0
Cc1cccc(NC(=S)Nc2cccc3ccccc23)c1,0,0,0,0
CCCCC12CCC(=O)C(C3CC3)=C1c1ccc3[nH]ncc3c1C2,0,0,0,0
CC(C)c1ccc(C=CC(=O)NC2=NCCS2)cc1,1,0,0,0
Cc1cc(=O)[nH]c2cc3oc4ccccc4c3cc12,0,0,0,0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/Br)Oc1ccc(F)cc1-3,0,0,0,1
CCNC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1,0,0,0,0
CCc1ccc(OCC(=O)NC(N=C(S)Nc2ccccc2C)C(Cl)(Cl)Cl)cc1,1,0,0,0
COc1ccc(C)cc1-n1nnc(-c2nc(-c3ccccc3Cl)no2)c1N,1,0,0,0
COc1ccc(-c2nc(CN3CCC(c4ccccc4)CC3)c(C)o2)cc1OC,1,0,0,0
Cc1sc2nc(SCC(=O)NCc3ccco3)n(CCc3ccccc3)c(=O)c2c1C,1,0,0,0
COc1cccc(CN2CCN(c3nc4cnncc4nc3NC(C)C)CC2)c1,0,0,0,0
Cc1ccc2nc(Nc3ccc(C)c(Cl)c3)c3nncn3c2c1,0,0,0,0
c1ccc2cc(CNCc3cccc4ccccc34)ccc2c1,0,0,0,0
Cc1cccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1,0,0,0,0
CC(=O)N1CCN(c2ccc(OCc3cc4cnc(C#N)nc4n3CCC3CCCCCC3)cc2)CC1,0,0,0,0
CCNc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F,0,0,0,0
Cc1cc(C)cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)c1,0,0,0,0
N#Cc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(C)C)C(N)=O,0,0,1,0
Nc1cnc(-c2ccc(C3CCC3)c(OCCN3C(=O)c4ccccc4C3=O)c2F)cn1,0,0,0,0
Cn1cc(Cl)c(C(=O)OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)n1,1,0,0,0
OCC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1.O=C(O)CCC(=O)O,0,0,0,0
CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12,0,0,0,0
CC(C)CCc1c(-c2cccc(OC(F)(F)F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
CCOC(=O)Cc1ccc(NCc2ccc(Cl)cc2)cc1,0,0,0,0
CC(C)NCc1ccc(C[C@@H]2NC(=O)[C@H](N(C)C(=O)c3ccc4ccccc4c3)NC(=O)[C@H](Cc3ccccc3)NC(=O)[C@@H](Cc3ccccc3)NC(=O)[C@@H](CCCCN)NC(=O)[C@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]([C@@H](C)O)NC(=O)[C@H](Cc3ccc(O)cc3I)NC(=O)[C@@H]([C@@H](C)O)NC2=O)cc1,0,0,0,1
CC(C)Nc1nc(-c2ccc(CCN3CCCCC3)cc2)cc2ncn(C)c(=O)c12,0,0,0,0
O=S(=O)(Cc1ccccc1)Nn1cnnc1,0,0,0,0
Cn1cc(CNC(=O)c2ccc3nc(Cc4ccccc4F)oc3c2)cn1,0,1,0,0
Cn1c(=O)c2c(ncn2CCNCC(O)c2ccc(O)c(O)c2)n(C)c1=O,0,0,0,0
COc1cc(C=NNC(=O)c2ccncc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1,1,0,0,0
COc1cc(F)cc(-c2nn(C3CCc4ccccc43)c3ncnc(N)c23)c1,0,0,0,0
CCOC(=S)SCC(=O)Nc1ncc(C)s1,0,0,0,0
COc1ccccc1-c1cc2c(NCc3ccccn3)ncnc2s1,0,0,0,0
CNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
CCCN1C(=O)C(NC(C)=O)c2ccccc21,0,0,0,0
COC(=O)C1=C(C)NC(=O)NC1c1cc(Cl)ccc1OC,0,0,0,0
O=C1C2CCC(C(O)C2)N1Cc1ccccc1,0,0,0,0
CCCOP(=O)(OCCC)C1(Nc2ccc(C)cc2)CCCCC1,1,0,0,0
Cc1ccc(NC(=O)OCCN2CCN(Cc3ccccc3)CCC2=O)cc1,1,0,0,0
Cc1ccc(-c2ncco2)c(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)[C@@H]2C)n1,0,0,0,0
NCCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21,0,0,0,0
CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc2ccccc2s1,1,0,0,0
Cc1ccc(NN=Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,0,0,0,0
COCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
O=S(=O)(c1cc2ccccc2n1S(=O)(=O)c1ccccc1F)N1CCC(CNS(=O)(=O)C(F)(F)F)CC1,0,0,0,0
CCCOc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCOCC)cc1OCC,1,0,0,0
COc1cc([C@@H](C)N[C@H](C)c2cccc(Cl)c2)nn1-c1cccc(Cl)c1,0,0,0,0
Fc1ccccc1OCCSc1nnnn1-c1ccccc1,0,1,0,0
O=C(c1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2C2c3ccccc3C=NN21,1,0,0,0
COc1ccc(S(=O)(=O)N2Cc3ncn(C)c3C[C@@H]2C(=O)NO)cc1,0,0,0,0
Cc1nc(S(=O)(=O)c2ccc(Cl)cc2Cl)nc2c1CCC2,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2cccc(F)c2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
CC(C)(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccco3)cc2)C1c1cccnc1OCCO,0,0,0,0
CC/C=C/COc1ccc(Cc2cccc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1,0,0,0,0
CCOC(=O)c1c(S(=O)(=O)N(C)C2CCCCC2)c(C)n(C)c1C,0,0,0,0
CC(C)CNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
Cc1cc(OCCNc2ccncc2)cc(OS(=O)(=O)c2cccs2)c1,0,0,0,0
O=C1NC(=O)/C(=C\c2ccc(-c3ccc4c(c3)CNC4=O)s2)N1,0,0,0,0
COC(=O)c1ccc2c(=O)n(CCCCCC(=O)O)c(=S)[nH]c2c1,0,0,0,0
COC(=O)C1(C(=O)OC)CC2=CC(CC2=O)Cc2ccccc2C1C[N+](=O)[O-],0,0,0,0
CCOc1cc(C2CC(=O)Nc3cc4c(cc32)OCCO4)ccc1O,0,0,0,0
O=c1c(-c2ccccc2)coc2c(CN3CCOCC3)c(O)ccc12,0,0,0,0
CCCc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1,0,0,0,0
c1ccc(CNc2ncnc3c2ncn3C2CCCCO2)cc1,0,1,0,0
COC(=O)c1ccc2c(=O)n(CC3CCCO3)c(=S)[nH]c2c1,0,0,0,0
Cc1nc2c(s1)-c1nc(Nc3ccc(N(C)C)cc3)ncc1CC2,0,0,0,1
COc1cc(OC)c(OC)cc1/C=N/NC(=O)CC1C(=O)NN=C1C,1,0,0,0
Cc1ccc(-c2noc(-c3nnn(-c4ccc(Br)cc4F)c3C)n2)cc1,0,0,0,0
COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(ccc(C)c35)C(NO)=N4)cc2)cc1,0,0,0,0
O=c1[nH]cc(C(F)(F)F)c(=O)n1CCCN1CCN(c2ccccc2OCC(F)(F)F)CC1,0,0,0,0
COc1cc(C=NNS(=O)(=O)c2ccc3ccccc3c2)ccc1OCc1ccc(C(=O)O)cc1,0,0,0,0
C[C@H](O)CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1,0,0,0,0
c1ccc(-n2cnnc2SCc2nc3ccccc3s2)cc1,1,1,0,0
C=CCNC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1,0,0,0,0
CCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)nc(Cl)nc3c2)CC1,0,0,0,0
CC(C)(C)OC(=O)N[C@@H](CN[C@@H]1CCc2ccccc2N(CC(F)(F)F)C1=O)Cc1ccccc1,0,0,0,0
Cc1ccc(S(=O)(=O)/N=C(/c2ccccc2)N2CCOCC2)c(C)c1,0,0,0,0
COc1ccc(NN=Nc2nc3c([nH]2)c(=O)n(C)c(=O)n3C)cc1,0,0,0,0
Cc1cc(S(=O)(=O)N2C[C@H](F)C[C@@H]2c2ccc(F)cc2)cc(C)c1F,0,0,0,0
COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c(cc1F)ncc1ncn(C3(C)CCN(CCO)CC3)c12,0,0,0,0
COCCNC(=O)CCN1N=C(c2ccccc2)CCC1=O,0,0,0,0
O=C(c1ccc(-c2ccccn2)s1)N1N=C(c2cccnc2)CC1c1ccccc1O,0,0,0,0
Cc1ccn2nc([C@H](C)Nc3ncncc3-c3cc(O)cc(F)c3)n(-c3ccccc3)c(=O)c12,0,0,0,0
CN(C)c1ccc(C=C2CCCCC2=O)cc1,0,0,0,0
COc1ccc2c(c1)C(=O)C(=O)C1=C2OC(C)(C)CC1,0,0,1,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5ccccc5)CC4)ccc3c2=O)cc1,0,0,0,0
Cc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1,1,0,0,0
CC(=O)N1CCC(Nc2ncc3cc(Oc4ccc(F)cc4F)c(=O)n(C)c3n2)CC1,0,0,0,0
Cn1c(Oc2ccccc2NCc2cccc(Br)c2)cc(=O)n(C)c1=O,1,0,0,0
CC(C)(C)NC(=O)C(c1ccncc1)N(Cc1ccc(F)cc1)C(=O)c1ccc(-c2ccccc2)[nH]1,1,0,0,0
O=C(O)CCc1ccc(NCc2cccc3c2CCCN3CCOc2ccccc2)cc1F,0,0,1,0
Cc1sc(N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)nc1-c1ccccc1,0,0,0,0
COc1cc(N2CCOCC2)ccc1C=C(C#N)C#N,0,0,0,0
S=c1[nH]c(-c2ccccc2)cn1/N=C/c1cccc2ccccc12,1,0,0,0
COc1cc2[nH]c(=S)n(N)c(=O)c2cc1OC,0,0,0,0
O=C(O)C1CCCN1C(=O)OCC1c2ccccc2-c2ccccc21,0,0,0,0
O=C(c1ccc(Br)cc1NS(=O)(=O)c1cccc2nccnc12)N1CCOCC1,0,0,0,0
CN1CCN(Cc2ccccc2C(F)(F)F)CC1,0,0,0,0
CC(C)c1ccc(-c2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)cc1,0,0,0,0
CCCCCC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
COCCn1nnnc1C(c1cccs1)N1CCN(c2cc(C)ccc2C)CC1,1,0,0,0
CC(C)Oc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
O=C(NCc1ccco1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1Br,0,1,0,0
CC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1,1,0,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCC(C)C)[nH]c(=O)c2nn1CCCN(C)C,0,0,0,0
CCN(CC)CCNC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1,0,0,0,0
O=c1[nH][nH]cc1C=NCc1cccc(C(F)(F)F)c1,0,0,0,0
O=c1c2ccccc2ncn1-c1cccc(Cl)c1,0,0,0,0
NC(=O)c1nn(-c2ccc(S(=O)(=O)N3CC=CC3)cc2)c2c1CCc1ccc(N)cc1-2,0,0,0,0
Cc1ccccc1-n1c(/C=C/c2c(C)[nH]c3ccccc23)nc2ccccc2c1=O,1,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CC[S+]([O-])CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccc(-n2c(C)cc(C(=O)CN3C(=O)NC4(CCCc5sccc54)C3=O)c2C)cc1,1,0,0,0
Cc1c(C(=O)N2CCCCCC2)nnn1-c1nonc1N,0,0,0,0
CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,0,0,0,0
CS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CCC[C@@H](N)C2)cc1,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(CC(C)C)C(=O)O)cn1,0,0,0,0
COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccc(F)cc5)n(C)c4=O)cc3F)c2cc1OC,0,0,0,0
CC(C)C(NS(=O)(=O)c1ccc(-c2ccc(F)nc2)cc1)P(=O)(O)O,0,0,0,0
CCCCCC(C)Nc1cc(-c2ccc3ncsc3c2)nc(C)n1,0,0,0,0
O=C1OC(c2ccccc2)C2(CCCC2)C(=O)C12CCCC2,0,0,0,0
COc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1cccc(OC(F)(F)F)c1,0,0,0,0
CCn1ccc(C(=O)Nc2ccc(Cl)cn2)n1,0,1,0,0
CC(C)Sc1nc(N2CCOCC2)c2c(c1C#N)CC(C)(C)SC2,0,0,0,0
Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl,1,0,0,0
O=C(Oc1ccccc1)N1CCCC2(CCN(c3ccccn3)C2)C1,1,0,0,0
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3CC(C)CC(C)C3)c(C)o2)c1,1,0,0,0
O=c1[nH]c2cc(Cl)c([N+](=O)[O-])nc2[nH]1,0,0,0,0
CN(C)CC(C)(O)CNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N,0,0,1,0
O=C(c1ccc(F)cc1)C1CCN([C@H]2CN(Cc3ccccc3)CC[C@@H]2O)CC1,0,0,0,0
COCc1cc(=O)[nH]c(Nc2nc3ccccc3o2)n1,0,0,0,0
O=C(OCCN1CCCCC1)C1(C2CCCCC2)CCCCC1,0,0,0,0
O=C(O)c1cc(-c2ccc(/C=C3/SC(=S)N(Cc4ccccc4)C3=O)o2)ccc1Cl,0,0,0,0
Cc1ccc(S(=O)(=O)Oc2ccc(C=C3C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)cc1,1,0,0,0
COc1cc(C2c3[nH]c4ccccc4c3CC3C(=O)N(CCO)CC(=O)N32)cc(OC)c1OC,0,0,0,0
CC1CCCCN1C(=O)c1ccc(OC2CCN(S(=O)(=O)N(C)C)CC2)cc1,1,0,0,0
S=C(Nc1ccccc1)Nc1ccc(OCc2ccc(Cl)cc2Cl)cc1,1,0,0,0
CCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(=O)OC)=C1C,0,0,0,0
Cc1nc2ccc(S(=O)(=O)NC(C(=O)Nc3nccs3)C(C)C)cc2s1,1,0,0,0
COc1ccccc1-n1cc([C@@H]2C[C@H]3CN(c4ccccc4)C(=O)[C@]34CCCN24)cn1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C,0,0,0,0
CCn1c(-c2ccc(F)cc2)n[nH]c1=S,0,0,0,0
CC(C)(C(N)=O)N1CCN(Cc2cc3nc(-c4cc(F)cc5[nH]ccc45)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
CN1CCN(C(=O)N2CCNC2=O)CC1,0,0,0,0
NCc1cccc(-c2cccc(Oc3nc(Oc4ccccc4C(=O)O)c(F)cc3F)c2)c1,0,0,0,0
C[C@@H](O[C@H]1CN2C(=O)C=C(c3cncnc3)CC2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)C3CCCCC3)C2=O)cc(OC)c1,0,0,0,0
c1ccc2oc(-c3[nH]ncc3CN3CCSCC3)cc2c1,0,0,0,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](OC2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](OC2O[C@H](C)C[C@H](N(C)C3CCCC3)[C@H]2O)[C@@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2N(CCc3ccc(Cl)cc3)C(=O)O[C@]12C,0,0,0,0
COc1ccccc1C1CCCC(=O)N1Cc1ccc2ccccc2c1,0,0,0,0
COc1nc(N)ncc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(C1CCC(O)CC1)C2=O,0,0,0,0
Cc1ccc2c(N3CCN(CCCc4cccc5c4OCC(=O)N5)CC3)cccc2n1,0,0,0,1
COc1ccc(F)cc1C(=O)C1CCCN(C(=O)CCN2CCCCO2)C1,0,0,0,0
COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1,0,0,0,0
COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCc2ccccc2C1,1,0,0,0
CNc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12,0,0,0,0
Cc1ccccc1OCCn1cc(C(=O)C(=O)N2CCOCC2)c2ccccc21,1,0,0,0
O=C(O)Cc1nn(CC(=S)Nc2cccc(Cl)c2)c(=O)c2ccccc12,0,0,0,0
CC(C)(C)c1csc(NC(=O)c2ccccc2O)n1,0,1,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3cccc(C(F)(F)F)c3)cc2)CCOCC1,0,0,0,1
CN(C)c1ccc2c(c1)OC1C(O)C(=O)CC(C(=O)O)C1N2,0,0,0,0
CCOC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1C,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCC(C)O)cc3)oc2c1,0,0,0,0
CCOC(=O)Nc1ccc(NCc2c(C)cc(C)cc2C)cc1N,0,0,1,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
Cc1ccnc(-n2c(C)cc(C=C3C(=O)N(C)C(=S)N(C)C3=O)c2C)c1,0,1,0,0
COc1ccc(CCNC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1OC,1,0,0,0
Cn1c2c(c3cc(S(=O)(=O)c4ccc5ccccc5c4)ccc31)C1CCC(C2)N1,0,0,0,0
O=C1COc2cc(S(=O)(=O)CCC(=O)NC3CCCCC3)c(Cl)cc2N1,0,0,0,0
O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccco1,1,0,0,0
S=c1[nH]c2ccccc2c2nc(-c3ccccc3)nn12,0,0,0,0
Clc1cccc(CNCCNCc2cccc(Cl)c2)c1,0,0,0,0
CCOC(=O)CCc1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
CC1(C)c2[nH]c3ccccc3c2CC2C(=O)N(N)CC(=O)N21,0,0,0,0
COc1ccc(C(c2c(O)cc(C)oc2=O)c2c(O)cc(C)oc2=O)cc1,0,0,0,0
O=c1nc(OCC2CCCO2)cc2n1CCc1cc(-c3cccc4ccccc34)ccc1-2,0,0,0,0
Cc1cc(C)cc(CC2CC(=O)N(c3cc(C)ccc3C)C2=O)c1,0,0,0,0
O=C(NCC(c1ccco1)N1CCN(c2ccccc2F)CC1)c1ccco1,1,0,0,0
CN(c1ccccc1)c1ncc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)n1,0,0,0,0
CNC(=O)c1cc(CSc2nc(N3CC(O)C3)c(C#N)c(-c3ccc(OC)cc3)c2C#N)ccn1,0,0,0,0
COc1cc(CNCCSc2nnnn2C)cc(OC)c1OC,0,0,0,0
CC1(C)CC2=NNC(=O)c3cccc4c3c2c(n4CCN(Cc2ccccc2)Cc2ccccc2)C1,0,0,0,0
CCOc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)ccc1OCC(N)=O,0,0,0,0
CSc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3,0,0,0,0
CN(C)CC(C)(C)Cn1c(CCCc2ccccc2)nc2cc(/C=C/C(=O)NO)ccc21,0,0,0,0
COc1ccc(Cn2cnnc2-c2ccc3nc[nH]c3c2)cc1Cl,0,0,0,0
COc1ccc(CCNC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,1,0,0,0
O=C(Nc1nccs1)NC(C(F)(F)F)C(F)(F)F,0,0,0,0
CCOC(=O)C(CC)Sc1c(CC)cnc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cc(F)c(Br)cc3F)c2)s1,0,0,0,0
Cn1cc(C2CCN(C3Cc4cccc5cccc3c45)CC2)c2cccnc21,0,0,0,0
O=c1[nH]c(CSc2nc(-c3ccc(F)cc3)cs2)nc2ccccc12,0,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)c(O)c2n(CCC)c1=O,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCc1cccc(C)c1,0,0,0,0
Nc1cc(Cl)ccc1N1CCOCC1,0,0,0,0
CCCCOc1ccc(CNC(=O)c2cnc3sc(N4CCC(C)CC4)nn3c2=O)cc1,1,0,0,0
CC(=O)N(Cc1ccccn1)Cc1ccco1,0,0,0,0
CCNC(=O)C(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(C)cc1,0,0,0,0
O=C(OCC1CO1)C1CCCCC1C(=O)OCC1CO1,1,0,0,0
Cc1ccc2occ(CC(=O)Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)c2c1,1,0,0,0
O=c1cc(CSc2ccccc2)[nH]c2ccc(F)cc12,0,0,0,0
COc1ccc(CCNC(=O)C(=O)c2cn(CC(=O)N3CCOCC3)c3ccccc23)cc1,1,0,0,0
Cc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21,1,0,0,0
CCCCNC(=O)N1CCC(CN(Cc2ccc(Cl)cc2)Cc2ccc([N+](=O)[O-])s2)C1,0,0,0,0
FC(F)(F)c1ccc2c3n(nc2c1)CCN=C3c1ccc(Cl)cc1,0,0,0,0
Cc1ccc(CN2CCN(C(=O)CC(C)C)CC2)cc1,0,0,0,0
COc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3ccccc3)C2)CC1,0,0,0,0
COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)c(F)c1,0,0,0,0
CC(C)Oc1cncc(-c2c[nH]c3ccc(-c4noc(N)n4)cc23)n1,0,0,0,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccccc3)cn2CCN2CCC2)CC1,0,0,0,0
COCC1CC1c1cc(C(=O)NS(C)(=O)=O)c(F)cc1OCC12CC3CC(CC(C3)C1)C2,0,0,0,0
CCCCOc1ccc(C2=Nc3cc(OC)ccc3N=C(c3cccs3)N2)cc1,1,0,0,0
C=C(C)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccc(CO)cc3-4)cc2)C1,0,0,0,0
CN(C)c1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccccc4F)CC3)cnn2-c2ccccc2Cl)CC1,1,0,0,0
COc1nc(NC(=N)N)nc2ccc(C)cc12,0,0,0,0
CN1C(=O)NC2C1N(C)C(=O)N2N=Cc1ccccc1,0,0,0,0
Cc1ccsc1-c1nc(CN2CCN(C)C(=O)[C@@H]2C)c(C)o1,0,0,0,0
N#Cc1ccc(-c2cccnc2)cc1,0,0,0,0
COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21NC(N)N(CCC(N)=O)C1=O,0,0,0,0
CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O,0,0,0,0
Cc1c(-c2cccc(S(=O)(=O)N(C)C)c2)c2cc(-c3nnn[nH]3)ccc2n1C/C(F)=C/CN.Cl,0,0,1,0
NS(=O)(=O)OC[C@@H]1C[C@@H](Oc2ccnc3nc(-c4cccc5ccccc45)[nH]c23)C[C@@H]1O,0,0,0,0
CCN(CC)C1CCC(Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O[C@@H]2[C@H](O)[C@@H](COP(=O)(O)O[C@@H]3[C@H](O)[C@@H](COP(=O)(O)O[C@@H]4[C@H](O)[C@@H](COCP(=O)(O)O)O[C@H]4n4cnc5c(N)ncnc54)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)[C@@H](O)[C@H]1O,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCN(C)C(C)C)cc3)oc2c1,0,0,0,0
CCOC(=O)C1=C(COC(=O)C(CC)Oc2ccccc2)NC(=O)NC1C,0,0,0,0
O=C(c1ccccc1F)N1CCN(c2ncccn2)CC1,0,0,0,0
COc1ccc2c(c1OC)CCN(C(C)=O)C2CC(c1ccccc1)c1ccccc1,0,0,0,0
Cc1cccc(N2CCN(c3ccc(NC(=O)/C=C\C(=O)O)cc3)CC2)c1,0,0,0,0
CCOC(=O)C1CCCN(C(=O)c2cc3c(=O)n4ccccc4nc3s2)C1,0,0,0,0
O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(C(=O)O)c1,0,1,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(S(C)(=O)=O)c1,0,0,0,0
OC(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)c1c[nH]c2ccccc12,0,0,0,0
CN(C)CCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccccc12,0,0,1,0
S=C(Nc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2,0,1,0,0
C[C@H](N)Cc1c[nH]c2ccc(OCc3cccs3)cc12,0,0,0,0
COc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)c(OC)c1,0,0,0,0
O=C(c1ccc(Cn2c(=S)[nH]c3cc4c(cc3c2=O)OCO4)cc1)N1CCN(c2ccccc2)CC1,0,0,0,0
O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc2c(c1)OCCO2,1,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C(=O)OC)CCN(C)C4)cc2)CC1,1,0,0,0
CC(=O)N1CCC(c2cc(Nc3cc(C(F)(F)F)ccn3)nc(N3CCOCC3)n2)CC1,0,0,0,0
C[C@@H](O[C@H]1CC[C@@H](N(C)C[C@H]2CCC(=O)N2)[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2cnn(-c3ccc(F)cc3F)c2C2CCNCC2)CC1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2CC(O)(C(F)(F)F)C3)cc1,0,0,0,0
Cc1ccc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2c1,0,1,0,0
Cc1cc(C(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c(C)n1C,0,1,0,0
Cc1c(C#N)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
CCOC(=O)Cn1c(=O)oc2cc(S(=O)(=O)NCCc3ccc(OCC)c(OCC)c3)ccc21,0,0,0,0
Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccc(Cl)cc4)c(Cl)cc3NC2)c1,0,0,0,0
C=CCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O,0,0,0,0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(S(N)(=O)=O)cc4)n3)c2)CCOCC1,0,0,0,0
COc1cc(C(=O)N(C/C=C/c2ccccc2)Cc2ccc(CC(=O)O)cc2)cc(OC)c1C,0,0,0,0
COc1ccc(-c2c(Br)c3cc(C#N)c(C#N)cc3n2O)cc1,0,0,0,0
O=CC1=C(Sc2cccc(O)c2)c2sc3nc4n(c(=O)c3c2CC1)CCCCC4,0,0,0,0
CCCCCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,0,0,0,0
CC(=O)N(c1ccccc1)C1CC(C)N(C(=O)c2ccccc2)c2ccccc21,1,0,0,0
CCC1CCCCN1CCCOc1cc2ncc(C#N)c(Nc3ccc(Sc4nc(C)c(C)n4CC)c(Cl)c3)c2cc1OC,0,0,0,0
CCOc1ccccc1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC,0,0,0,0
C/C(CN1CCN(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](Cc2c[nH]c3ccccc23)C1)=N/OCc1ccccn1,0,0,0,0
O=C(Nc1ccc2ccccc2n1)c1ccccc1Br,0,1,0,0
C=CCn1c(SCC(=O)C(C#N)=C(C)N)nc2sc(CC)cc2c1=O,0,0,0,0
Cc1ccc(NC=CC(=O)C2=C(O)CC(C)(C)CC2=O)cc1,1,0,0,0
COc1cc(C=Cc2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1,1,0,0,0
CC1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCN(CCO)CC4)c3)ncc21,0,0,0,0
Cc1ccccc1CN1CCn2c1nc1c(c2=O)CN(Cc2ccccc2)CC1,0,0,0,0
CS(=O)(=O)N1CCN(Cc2csc3c(-c4ccc(N)nc4)nc(N4CCOCC4)nc23)CC1,0,0,0,0
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1cccs1)c1ccccc1)C(=O)[C@@]1(C)CO1,0,0,0,1
Cn1c(=O)c2[nH]c(N=NNc3ccccc3F)nc2n(C)c1=O,0,0,0,0
CCCCSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
c1ccc(-c2nnc(NC3=NCCC3)o2)cc1,0,1,0,0
CCCc1c(OCCCCOc2ccc(-c3nn[nH]n3)cc2)ccc2c1ccn2CC(C)(C)C,0,0,0,0
CCNC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1c(C(=O)NCC#N)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
CCOC(=O)c1nc2c(ccc3ccccc32)cc1C,0,1,0,0
CC(C)C(CC(=O)OCC1(CO)C/C(=C\c2ccc(O)cc2)C(=O)O1)C(C)C,0,0,0,0
CC(C)CCC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
CCc1cc(-c2n[nH]c(C)c2Oc2ccc(C(C)C)cc2)c(O)cc1O,0,0,0,0
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1,0,0,0,0
O=c1ccn(CCCS(=O)(=O)N[C@H](c2ccc(F)cc2)c2ccc(F)c(OCC3CC3)c2)c(=O)[nH]1,0,0,0,0
COc1cccc(CN(Cc2ccc(C(=O)O)c(F)c2)C(=O)c2ccc(Oc3ccccc3F)cc2)c1,0,0,0,0
N=C(N)c1cccc(OCCN(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0,0,0,0
N[C@H](COc1nc(-c2ccncc2)nc2sc3c(c12)CCCC3)Cc1cccs1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1,0,0,0,0
COc1c(Cl)cccc1-c1n[nH]c([C@@H]2CCN2C(=O)c2cc(C)ccc2-n2nccn2)n1,0,0,0,0
Cc1ccc(C(=O)N2CCOCC2)cc1S(=O)(=O)N1CCOCC1,0,0,0,0
Cn1c(NCc2cccs2)nc2ccccc21,0,0,0,0
Nc1ncnc2c1ncn2C1CCCC1,0,0,0,0
O=C(NCc1cccs1)[C@@H]1CN(C(=O)CBr)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
O=C(O)C(CC#Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0,0,0,0
COCCN1C=C2C(=O)C(C)(OC(=O)c3cccs3)C(=O)C=C2C=C1CCCC(=O)OC,0,0,0,0
CCN(CC)CCNc1ccc2nc(C)n3c4ccc(O)cc4c(=O)c1c23,0,0,0,0
Cc1cccc(Oc2ncnc3onc(C)c23)c1,1,0,0,0
FC(F)(F)c1ccc(Nc2noc3c(C(F)(F)F)cccc23)cn1,0,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC(NC(=O)OC(C)(C)C)CC6)cc5c4)n3c2)cn1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)N2CCC(C(N)=O)CC2)oc1C,0,0,0,0
CCOC(=O)C1C(=O)OC(C)(C)C1C(C)C(=O)c1ccc(C)cc1C,0,0,0,0
O=c1ccc2ccc(OC3OC(COC4OCC(O)(CO)C4O)C(O)C(O)C3O)cc2o1,0,0,0,0
CCOC(=O)C1=C(C)N=C(S)NC1c1ccc(OC(=O)c2ccco2)cc1,1,0,0,0
Fc1ccccc1CSCc1nc2ccccc2[nH]1,0,1,0,0
COc1cc(CNCc2cccnc2)ccc1OCC(=O)NC(C)(C)C,0,0,0,0
CC(=O)Nc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)ccc1C,0,1,0,0
Cc1ccc2oc(=O)n(CCCOc3ccccc3C)c2c1,0,0,0,0
COc1ccc(N=C(C)c2sc3ccccc3c2O)cc1,0,1,0,0
COc1ccc(C)cc1NC(=O)C(c1ccccc1)N1CCN(CC(=O)N2CCCC2)CC1,1,0,0,0
C[C@@H]1CC(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2N1,0,0,0,0
CC1CCCN1c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
Cc1oc(-c2ccc(C(=O)NCc3ccccc3Cl)cc2)nc1CN1CCc2ccccc21,1,0,0,0
COCCN1C(=O)C(=O)/C(=C(/O)c2cccc(OC)c2)C1c1ccncc1,0,0,0,0
C=CCn1c(-c2cccc(OCC)c2)n[nH]c1=S,0,0,0,0
COc1ccc(CCNC(=O)CCC(=O)N2CC(C)Oc3ccc(Cl)cc32)cc1OC,1,0,0,0
CN(C)CCCc1cc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)ccc1C(F)(F)F,0,0,0,0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O,0,0,0,1
COCCn1c(C)cc(C2=NNC(=Nc3ccc(OC)cc3)SC2)c1C,0,0,0,0
CN1CC(=O)N2[C@H](c3ccccc3Br)c3[nH]c4ccccc4c3C[C@@H]2C1=O,0,0,0,0
O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4ccno4)c3CCN12,0,0,0,0
COc1cc(N2CCOCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC3CCCC3)n1)C(C)(C)CN2,0,0,0,0
O=C(N/N=C/c1ccc2cccc(OCc3ccccc3)c2n1)c1ccc(Cl)cc1,1,1,0,0
CCCc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3occc3c2Cl)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1,1,0,0,0
Cc1c(Cl)ccc2c1NC(=O)[C@]21N[C@@H](CCC(N)=O)[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]21,0,0,0,0
COc1ccc(N2CCN(c3ccc(NC(=O)NN)cc3)CC2)cc1,0,0,0,0
NCc1ccccc1C1(O)CCN(C(c2cccc(F)c2)c2cccc(F)c2)CC1,0,0,0,0
S=P(Nn1cnnc1)(c1ccccc1)c1ccccc1,0,0,0,0
CCC(=O)NC(Nc1nc(C)cs1)(C(=O)OC)C(F)(F)F,0,0,0,0
CCN(CC)c1cc(NCCO)c([N+](=O)[O-])c2nonc12,0,0,0,0
Nc1ncc(-c2cnn(CCO)c2)cc1-c1nc2cccc(-c3ccccn3)c2o1,0,0,0,0
Cc1nn(Cc2ccccc2)c(Cl)c1C=CC(=O)OCC(=O)N(C)C1CCS(=O)(=O)C1,1,0,0,0
N#Cc1c2c(c(Sc3ccccc3Cl)[nH]c1=O)CCCC2,0,0,0,0
CCC1(c2cccc(OCc3ccc4c(ccc(=O)n4C)c3)c2)CCOCC1,0,0,0,0
Nc1nc2cc(-c3nn(C4CCC(N5CCOCC5)CC4)c4ncnc(N)c34)ccc2o1,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1,0,0,0,0
c1ccc(-c2nnc3c4ccccc4c(OCc4cccs4)nn23)cc1,0,0,0,1
N#Cc1ccccc1CSc1[nH]c(=O)c(C#N)c2c1CCCC2,0,0,0,0
OC[C@H]1OC(c2ccc(Cl)c(Cc3nnc(C4CCCCC4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,0,0,0,0
CS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccccc1,0,0,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(Cl)ccc3c2=O)cc1,0,0,0,0
CN(C)c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1,1,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOc2ccc(C)cc21,0,0,0,0
COC(=O)c1ccc(Oc2nc(C)cc(Oc3ccccc3)n2)cc1,0,0,0,0
Cc1nn(CCCC(=O)NCc2ccc(F)cc2)c(=O)c2c1sc1ccccc12,1,0,0,0
CNC(=S)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
O=C(c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1)N1CCCCC1,0,0,0,0
C[C@H]1CN(C(=O)c2ccc(-c3ccc4nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)CC5CC5)sc4c3)cc2)CCO1,0,0,0,0
COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3)c2cc1OC,0,0,0,0
CCOc1cccc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCC(C)OC(=O)C1=C(C)NC(=O)NC1c1ccc(F)cc1,0,0,0,0
N#Cc1ccc(N(CCn2ccc3cc(OS(N)(=O)=O)ccc32)n2cnnc2)cc1,0,0,0,0
Cc1nc2ccc(Br)cc2c(=O)n1-c1ccc([N+](=O)[O-])c(C(F)(F)F)c1,1,0,0,0
CC(=O)N(Cc1ccc(F)cc1)c1cccc(C)c1C,0,0,0,0
CN1C(N)=N[C@](C)(c2sc(-c3ccc(-c4nnco4)[nH]3)cc2Cl)CS1(=O)=O,0,0,0,0
C[C@H](N)C(=O)NCc1cccc(-n2nc(C(F)(F)F)cc2-c2nnc(-c3ccccc3)o2)c1,0,0,0,0
Cc1cc(=O)[nH]c(Nc2c(C)n(C)n(-c3ccccc3)c2=O)n1,0,0,0,0
COc1ccccc1C=NNC(=O)c1cc(-c2ccccc2)n[nH]1,1,0,0,0
COc1ccnc(N2CC3CN(C(=O)c4ccccc4-c4cccs4)CC32)n1,0,0,0,0
CCOc1cc(C=Nn2cnnc2)ccc1OS(=O)(=O)c1ccc(C)cc1,1,0,0,0
O=C(OCC(=O)N1CCc2ccccc21)c1ccc[nH]c1=O,0,0,0,0
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1,1,0,0,0
Cc1c(/C=N/NC(=O)c2cccnc2)c2ccccn2c1C(=O)c1ccc(F)cc1,1,1,0,0
COC(=O)c1ccccc1NC(=O)Cn1cc2c(n1)CCC(C)C2,1,0,0,0
CNc1nc(C)cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)n1,0,0,0,0
COc1cccc(-c2nnc(SCC(=O)N3CCCC3=O)n2-c2ccccc2)c1,1,0,0,0
Cc1ccc(OCCNCCCOc2ccccc2C)cc1,0,0,0,0
NCCCc1cc2cc[nH]c(=O)c2c2cc(-c3cn[nH]c3)ccc12,0,0,0,0
CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4cccc(Cl)c4Cl)c3c2)CC1,0,0,0,0
CC1c2nc(N3CCC(Oc4ccc(F)cc4F)CC3)c(NCC(F)F)nc2CCN1S(C)(=O)=O,0,0,0,0
O=c1nc(OC[C@H]2COCCO2)cc2n1CCc1cc(C#CC3(O)CCOCC3)ccc1-2,0,0,0,0
CC(=Nc1cccc(O)c1)c1sc2ccccc2c1O,0,1,0,0
CCOCCOc1cc(C)c(-c2cccc(CNc3ccc(CCC(=O)O)c(F)c3)c2)c(C)c1,0,0,0,0
COC(=O)C1=C(C)NC(=O)NC1c1c(O)ccc2ccccc12,0,0,0,0
CCc1ccc2c(c1)N=C(c1ccc(C)cc1)NC(c1cccs1)=N2,0,0,0,0
CC(C)(C(=O)NCC(F)(F)F)c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
COc1ccc(Cn2c(C)c(CC(=O)O)c3cccnc32)cc1,0,0,0,0
CC1CC(C)CN(S(=O)(=O)c2ccc(NC(=O)C3CSC4(C)CCC(=O)N34)cc2)C1,1,0,0,0
CCc1ccc(S(=O)(=O)c2nnn3c2nc(NCCC(C)C)c2cc(Cl)ccc23)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=Nc2ccc3c(c2)OCCO3)cc1,1,0,0,0
Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCc2ccccc2C1,1,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(C)(=O)=O)cc4)cc23)c1F,0,0,0,0
C=CCn1c(-c2ccco2)n[nH]c1=S,0,0,0,0
Cc1cc(N=S(C)(C)=O)cc2ncnc(Nc3ccc(F)cc3OC[C@@H]3CNC(=O)O3)c12,0,0,0,0
Cc1cc(CCCc2ccccc2)c(CCCCCC(C)C(=O)O)s1,0,0,0,0
CCOc1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,0,0,0,0
CN1C(=O)C(CCC(=O)O)NC1=S,0,0,0,0
CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1,0,1,0,0
CCCCN1C(=O)C2(CCCC2)C(=O)N1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(C)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)/N=C2\C=CC(=O)C(Cl)=C2)c(C)c1,1,0,0,0
COc1ccc(C2N=C(c3ccccc3)NC(c3ccccc3)=N2)cc1,0,0,0,0
CCc1cccc(C)c1NC(=O)CN1CCN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)CC1,1,0,0,0
CCOC(=O)c1sc(NC(=O)CCSC)nc1C,0,0,0,0
O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(-c2nnn(Cc3ccc(F)cc3)n2)cc1,0,0,0,0
CCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(C)C3,1,0,0,0
O=C(Nc1ccccn1)c1ccc(COc2ccccc2Cl)o1,0,1,0,0
CSC1=NCCN1S(=O)(=O)c1ccc(NC(C)=O)cc1,0,0,0,0
CC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1,0,0,0,0
CNC(=O)COC(=O)c1cc2c(s1)CCCC2,0,0,0,0
CCN1CCOC(COc2ccc(CN3CCOCC3)cc2)C1,0,0,0,0
CN1CCN(C(=O)c2cc(Br)cn2C)CC1,0,0,0,0
COc1ccccc1CN1CC(C(=O)N2CCC(OC)CC2)CCC1=O,0,0,0,0
COc1ccc(C2=NN(C(=O)CSc3ncccn3)C(c3ccc(OC)cc3)C2)cc1,1,0,0,0
CCCC(CC(=O)O)n1c(=O)n(Cc2cc(Br)cc3c2CC(=O)N3)c2ccccc21,0,0,0,0
Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)CCS(=O)(=O)c3ccccc3)nc2c1,1,0,0,0
O=c1[nH]c(CN(CCO)CCO)nc2c1C1(CCCCC1)Cc1ccccc1-2,0,0,0,0
COc1ccccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCNC(=S)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,0,0,0,0
CCN(CC)c1cc(Cl)c2nonc2c1N,0,0,0,0
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1CCOc2ccccc21,1,0,0,0
c1nc2cc3c(cc2[nH]1)C1CNCC3C1,0,0,0,0
CCOc1ccc(OCC)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)c1,1,0,0,0
CC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)cc1,0,0,0,0
Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccccn3)nc2c1,1,0,0,0
CC(C)(c1ccc(Nc2nn([C@@H]3CCCC[C@H]3C#N)cc2C(N)=O)cc1)[C@H](O)C(F)(F)F,0,0,0,0
CCNc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCOC)c2n1,0,0,0,0
COCCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1,0,0,0,0
Cc1cc(Nc2ccc(F)cc2Cl)n2ncnc2n1,0,0,0,0
COc1cc(CNC2CCCC2)c(Br)cc1OCc1ccccc1,0,0,0,0
COc1ccc(SCc2cc(=O)c3cc(Cl)ccc3[nH]2)cc1,0,0,0,0
CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1F,1,0,0,0
COc1ccc(CCN(C)S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1OC,0,0,0,0
COC(=O)CCC(=O)N1CCCC(CO)(Cc2ccccc2C)C1,0,0,0,0
COc1ccc2cc(C(=O)C3CCCN(C(=O)CCc4ccccn4)C3)ccc2c1,1,0,0,0
CC(C)c1nc(C(=O)N2CCc3c([nH]c4ccccc34)C2c2ccccn2)cs1,1,0,0,0
COc1ccc(-c2nc(C(=O)N3CCN(C(=O)c4cc(C)[nH]n4)CC3)c(CN)o2)c2ccc(C(F)(F)F)nc12,0,0,0,0
CN(C)c1ccc(/C=N/NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1,1,0,0,0
COc1ccc(CN2CCN(C(=O)CC(C)C)CC2)c(OC)c1OC,0,0,0,0
Cn1c(COCc2ccccc2Cl)c2c(=O)n(-c3ccccc3Cl)[nH]c2cc1=O,0,0,0,0
COc1ccc(Cc2cc([C@@H]3O[C@H](CF)[C@@H](OC)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
C=C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
CC(=O)c1ccc2noc(-c3ccc(F)cc3)c2c1,0,0,0,0
Cc1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1,0,0,0,0
CNC(=O)c1ccc(Oc2ccc(CN3CCC(N4C(=O)N(C5CCOCC5)C[C@H]4c4ccccc4)CC3)c(C)n2)cc1,0,0,0,0
CC(=O)N1CCc2cc(Nc3nccc(Nc4c(NC(C)(C)C)c(=O)c4=O)n3)ccc21,0,0,0,0
O=S(=O)(Nc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1)c1cc(Cl)cc(Cl)c1O,0,0,0,0
COc1ccc(Nc2nccc(Oc3cccc4c3C(=O)CC4)n2)c(OC)c1,0,0,0,0
O=c1cc(CO)oc(CN2CCC(Cc3ccccc3)CC2)c1O,0,0,0,0
COc1cncc(-c2cc(Cl)c([C@]3(C)CS(=O)(=O)C4(CCOCC4)C(N)=N3)s2)c1,0,0,0,0
CC(=O)Nc1nnc(SCc2cc(=O)c3cc(C)ccc3[nH]2)s1,0,0,0,1
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(=O)CO)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
Nc1nc2c(ccc3ccccc32)s1,0,0,0,0
CCn1c(=S)[nH]c2c(c1=O)C(C)(C)Cc1ccccc1-2,0,0,0,0
CN1C(=O)[C@]2(N=C1N)c1cc(-c3cccc(C#N)c3)ccc1O[C@H]1CCOC[C@@H]12,0,0,0,0
CCOCCCNC(=O)CCN1C(=O)c2ccccc2Sc2ncccc21,1,0,0,0
NC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
c1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1,0,0,0,0
CCCCn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,0,0,0,0
O=C(C=CN1CCN(Cc2ccccc2)CC1)C(F)(F)F,0,0,0,0
CCOc1ccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC2)cc1,0,0,0,0
Cc1ccc([N+](=O)[O-])cc1-c1[nH]c(-c2ccc(O)c(O)c2)nc1-c1ccccc1,0,0,0,0
CCC1Nc2cccc([C@@H]3C[C@H]3CNC(C)=O)c2O1,0,0,0,0
CCCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
Cc1cc(C)c2nc(SCCC#N)nc(C)c2c1,0,0,0,0
N#Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
CC(=O)NC(c1ccc(F)cc1)c1cccnc1,0,0,0,0
CSc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccccc3n2)cc1,0,0,1,0
C[C@H]1Cc2cc([C@]3(C)CN4CCN(C(=O)Cc5ccc(-n6cnnn6)nc5)C[C@H]4CO3)ccc2C(=O)O1,0,0,0,0
Cc1ccc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F,0,0,0,0
N#CC(C#N)=Cc1[nH]ccc1CN1CCN(c2ccc(Cl)cc2)CC1,0,0,0,0
CCOc1ccc(NC(=O)Nc2cccc(C)n2)cc1,1,0,0,0
CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)NN(Cc2ccccc2)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)O,0,0,0,0
NC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1,0,0,0,0
Cc1nc(Cl)c(C#N)cc1-c1ccccc1,0,0,0,0
CCc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
CN(Cc1ccc(O)cc1)C1CCCCC1,0,0,0,0
CSC1=NP(=S)(SC)N2CCCC2=C1C#N,0,0,0,0
CCc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
C#CCOC(=O)Nc1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1,0,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C(C)C)c2cc1OC,0,0,0,0
CC1CCN(CCCCCCCOc2ccc(Cl)cc2)CC1,0,0,0,0
COc1ccc(-c2nc(-c3ccccc3)c(CC(=O)O)s2)cc1,0,0,0,0
Cc1nc(NC(=N)N)nc2ccccc12,0,0,0,0
COc1ccc(CNC(=O)CCCN2C(=O)CSc3c2c(C)nn3-c2ccccc2)cc1,1,0,0,0
Cc1[nH]c2ccccc2c1SCc1n[nH]c(=S)n1C,0,0,0,0
O=[N+]([O-])c1ccc2c(c1)CCN(c1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,0,0,0,0
N=C(N)Nc1nc(CSCCC(N)=NS(N)(=O)=O)cs1,0,0,0,0
CCOc1c(Br)cc(C=C2C(=O)N(CCC#N)N=C2C)cc1OC,1,0,0,0
CC(C)[C@H](C(=O)NO)N(Cc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1,0,0,0,0
C=CCOc1ccccc1CNc1ccccc1C,0,0,0,0
NCc1cccc(CNc2ccc([N+](=O)[O-])cc2C(N)=O)c1,0,0,0,0
O=C(CSc1nc(-c2ccccc2)cs1)Nc1cccc([N+](=O)[O-])c1,1,1,0,0
CCCCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1,0,0,0,0
COc1cc(N(CC2(C)CC2)c2ccc(Cl)cc2)cnc1C(=O)C1CC1C(=O)O,0,0,0,0
Cc1cccc(N2CCc3c2nc2ccc(Br)cc2c3N)c1,0,1,0,0
Oc1ccc(NCc2ccc(OCc3ccccc3)cc2)cc1,0,1,0,0
Cc1oc(C(=O)O)cc1CSCc1ccoc1C(=O)O,0,0,0,0
Cc1cccc(C2c3[nH]c4ccccc4c3CCN2Cc2ccc(C)s2)n1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCN(C(=O)c2ccc3ccccc3n2)CC1,0,0,0,0
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(NC45CC6CC(CC(N)(C6)C4)C5)c3c2)cc(Cl)c1O,0,0,0,0
C#Cc1c(C2CCNCC2)cc(-c2c(O)cccc2OCC2CC2)nc1N,0,0,0,0
c1ccc(CCC2CCCCN2Cc2nc(-c3ccc4c(c3)OCO4)no2)nc1,1,0,0,0
S=c1[nH]nc(-c2cc(Cl)ccc2Cl)[nH]1,0,0,0,0
Cc1cc(=O)oc(C)c1C(=O)N1C[C@H]2CN(CCC(c3ccccc3)C3CCN(S(C)(=O)=O)CC3)C[C@H]2C1,0,0,0,0
COc1ccccc1NC(=O)C1CC(=O)OC1c1ccccc1,0,0,0,0
CCc1sc(CCc2cc(OC3CCOCC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C,0,0,0,0
CCCNc1nc(/C=C/c2ccc(S(C)(=O)=O)cc2)nc2ccccc12,0,0,1,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(C(C)(C)O)cc2)S1)c1ccc(F)cc1,0,0,0,0
CC(Nc1ccccc1)c1cc(Cl)ccc1O,0,0,0,0
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3ccccc3)N2)cc1,0,0,0,0
Cc1ccc2nc(SCC(=O)c3ccc4c(c3)OCO4)[nH]c2c1,1,0,0,0
COc1nn2cc(-c3ccc([N+](=O)[O-])cc3)nc2s1,0,0,0,0
Cc1cc(-c2ccccc2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C,0,0,0,0
O=C(c1cc(=O)[nH]c2ccccc12)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
CCOc1ccc(C=NNc2cc(=O)n(C)c(=O)n2C)cc1,0,0,0,0
C[C@H]1OC(=O)[C@]2(c3ccn[nH]3)CC(F)(F)[C@@H](C)[C@H](/C=C/c3ccc(-c4ccccc4C#N)cn3)[C@H]12,0,0,0,0
Cc1cc(-c2cc(C(F)(F)F)ccc2Oc2ccc(S(=O)(=O)Nc3ncns3)cc2C#N)ccn1,0,0,0,0
C[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
O=C1Cc2cc(N3CCCCC3)c(NC(=O)c3cnn4cccnc34)cc2N1,0,0,0,0
Cc1cccc(-n2ncc3c(=O)[nH]c(CC4CCCC4)nc32)c1C,0,0,0,0
COc1ccccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1,0,1,0,0
O=C(NCc1ccco1)c1sc2cc(F)ccc2c1Cl,0,1,0,0
CCN(CC)C(=O)Cn1c(-c2ccc(OC)cc2)cc2c(C)cc(C)cc21,0,0,0,0
CC(C)CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CC(C)CC4,0,0,0,0
NC(=O)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(OC(F)F)cc3)cn2CCN2CCC2)CC1,0,0,0,0
O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(F)c(S(=O)(=O)NCc2ccccc2Cl)c1,1,0,0,0
Cc1cccc(-c2noc(Cc3ccc(Cl)cc3)n2)c1,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(=O)C(C)O)CC5)c34)c(Cl)c2)n1,0,0,0,0
CCCc1ccc2oc(C(=O)N3CCN(CC(=O)NC(C)C)CC3)c(C)c2c1,1,0,0,0
Cc1c(-c2ccc([C@H](C)Nc3nccc(N4C(=O)OC[C@@H]4C(C)C)n3)cc2)cnn1C,0,0,0,0
CCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12,0,0,0,0
CCCCN1C(=O)NC(=O)C(=C(C)NC(Cc2c[nH]c3ccccc23)C(=O)OC)C1=O,0,0,0,0
COc1ccc(CN2C(=O)C(=Cc3ccc(-c4ccc(Cl)c(C(=O)O)c4)o3)SC2=S)cc1,0,0,0,0
CCCSC1=C(C=O)CCc2c1sc1nc3n(c(=O)c21)CCCCCC3,0,0,0,0
N#Cc1ccc(C(c2ccc(O)c(Br)c2)n2cncn2)cc1,0,0,0,0
COc1ccccc1C1=C(c2ccccc2)C(=O)N/C1=C\c1ccc(/C=C/C(=O)O)o1,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cccc(NS(C)(=O)=O)c2F)n1,0,0,0,0
CC(=O)c1ccc(CCCCc2ccc(C(C)=O)cc2)cc1,0,0,0,0
C/C(=N\NC(=S)Nc1cccc(C)c1)c1cccc(N)c1,1,0,0,0
CCNC1CCC(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CCN([C@@H]1CCN(C(C)c2ccc(F)cc2)C1)S(=O)(=O)NCCc1[nH]c(-c2cccs2)nc1-c1ccc(OC)cc1,0,0,0,0
COc1ccc(Cc2noc(CN3CCN(c4ccc(Cl)cn4)CC3)n2)cc1OC,1,0,0,0
COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2C)CC3)cn1,0,0,0,0
O=C1c2ccccc2NC(c2c[nH]nc2-c2ccccc2)N1O,0,0,0,0
COc1cc(C)c2[nH]ccc2c1C(C)(O)c1nc2ncc(C#N)cc2[nH]1,0,0,0,0
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
CCCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1,0,1,0,0
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)cc1,0,0,0,0
CC(C)Cn1cnc(-c2ccnc(Nc3cc(Cl)c4[nH]c(C(=O)N5CCN(C)CC5)cc4c3)n2)c1,0,0,0,0
O[C@H]1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)C1,0,0,0,0
COc1ccc(C(=O)COc2cccc(NC(=O)c3ccco3)c2)cc1,0,1,0,0
N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cnc(N2CCC2)c(Cl)c1,0,0,0,0
CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3C)no2)c1C,0,0,0,0
Cn1c(=O)c2c(nc(OCC3COC(C)(C)O3)n2Cc2ccccc2F)n(C)c1=O,0,0,0,0
CCOC(=O)N1CCN(c2c(Nc3cc(C)n[nH]3)c(=O)c2=O)CC1,1,0,0,0
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NCc1ccc(Cl)cc1,0,0,0,0
CC1CN(Cc2cc(=O)oc3cc(O)ccc23)CC(C)O1,0,0,0,0
Clc1cccc(OCCCCCCCN2CCCCC2)c1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4cccc(C(F)(F)F)c4)cc(C)c3CC[C@@H]12,0,0,1,0
C=C[C@H]1CC2=CC(=O)CC[C@H]2[C@@H]2CC[C@]3(C)[C@H](CC[C@]34C=CCO4)[C@H]21,0,0,0,0
COc1ccccc1Oc1coc2cc(OCC(N)=O)ccc2c1=O,1,0,0,0
CC(C)(C)NC(=O)NC(=O)CN1CCN(Cc2ccccc2)CC1,0,0,0,0
COc1ccc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c(OC)c1,0,0,0,0
CCCCOc1c(C(=O)c2c(F)cc(F)cc2F)cnc2n[nH]cc12,0,0,0,1
c1cncc(-c2cc3c(N4CCCC4)n[nH]c3cn2)c1,0,0,0,0
CC1(C)Cn2c(nnc2-c2cccc(O)c2)S1,0,0,0,0
Cc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1,0,0,0,0
COc1ccc(OC)c(NC(=O)N2CCCC(C(=O)c3ccccc3OC)C2)c1,0,0,0,0
CCn1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1,0,0,0,0
Cn1cc(-c2cc(OC(CO)CO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
O=C(Nc1ccccc1[N+](=O)[O-])C1COc2ccccc2O1,0,1,0,0
COc1ccc(-n2c(C)cc(C=C3SC(=S)NC3=O)c2C)cc1,0,0,0,0
Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1,1,0,0,0
CCn1c2ccccc2c2cc(CNCCCN3CCOCC3)ccc21,0,0,0,0
Cc1c(Cl)cccc1-n1c(CCC(=O)O)ccc1-c1cccs1,0,0,0,0
CC1=NN(C(C)C)C(=O)C1,0,0,0,0
c1ccc([C@]2(CCNCc3ccncn3)CCOC3(CCCC3)C2)nc1,0,0,0,0
CN1CCN(C(=O)c2ccc(C3SCC(=O)N3Cc3ccco3)cc2)CC1,0,0,0,0
Cc1cccc(S(=O)(=O)N(C)[C@H](C)CCN2CCC(C)CC2)c1,0,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3C(=O)NC(C)C)nc2-c2ccc(C)cc2)c1,0,0,0,0
CC(=O)N1CCN(c2nncc3cc(-c4c(C)ccc5c(NC6CC6)noc45)ccc23)[C@@H](C)C1,0,0,0,0
CNCc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
COc1ccccc1CNc1ccccc1F,0,0,0,0
CC(C)N1CCN(c2ccc3c(c2)C(C)(C)c2[nH]c4c(F)c(C#N)ccc4c2C3=O)CC1,0,0,0,0
Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccc(Cl)cc1,0,0,0,0
CN1CC[C@]23Cc4[nH]c5ccccc5c4C[C@H]2[C@H]1Cc1ccc(O)cc13,0,0,0,0
COc1cc(C(=O)N2CCOCC2)ccc1Nc1ncc(Cl)c(-c2cnc3ccccn23)n1,0,0,0,0
Cc1cccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)c1,0,0,0,0
Cc1noc(C)c1Cn1cc(N2C(=O)NC(CC(C)C)C2=O)cn1,0,0,0,0
Cc1ccc(NC(=O)CN(C)C(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1,1,0,0,0
O=C(O)c1cccc(N=c2cc(Nc3cccc(Cl)c3)nc3/c(=C/c4[nH]c(=O)[nH]c4O)cnn23)c1,0,0,0,0
c1cc(Nc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c2cn[nH]c2c1,0,0,0,0
COc1cc(-c2nc(C)nc3[nH]cc(C#N)c23)c(Cl)cc1Cl,0,0,0,0
CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C(O)(C(F)(F)F)C(F)(F)F)cc2)s1,0,0,0,0
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O,0,0,0,0
CCCC(=O)N=C(N)Nc1nc(C)c2ccccc2n1,0,0,0,0
CCC(CC)C(=O)NCc1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)Nc1ccc2c(c1)OCO2,1,0,0,0
CNC(=O)Oc1cccc(CN(C)CCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
COC(=O)C1=C(C)N(c2ccc(OC)c(OC)c2)C(=O)/C1=C\c1cccs1,0,0,0,0
COC(=O)c1cc(NC(C)=O)ccc1N1CCOCC1,0,0,0,0
COc1cccc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1O,0,0,0,0
CCN(CC)c1nc2ccc(C(O)(c3ccc(Cl)cc3)c3cncn3C)cc2c(Cl)c1Nc1ccccc1,0,0,0,0
C=CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O,0,0,0,1
Clc1ccc(SCCCCN2CCOCC2)cc1,0,0,0,1
COc1ccc(C(C#N)(CCCN(C)c2c3ccccc3cc3ccccc23)C(C)C)cc1OC,0,0,0,0
COc1ccc(OC)c(CNc2ncc(-c3ccc(Cl)cc3)n2C)c1,0,0,0,0
CC(=O)Nc1cc(-c2ccc3c(c2)OCO3)nc(-c2ccc3c(c2)OCO3)n1,0,0,0,0
COc1ccc(C2CCCN2C(=O)c2cccs2)cc1,0,0,0,0
COc1ccc(C(CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC(C)O3)cc1,0,0,0,0
Cc1c(NC(=S)Nc2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(-c2ccc(Br)cc2C(=O)O)o1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccc(F)cc3)C21,0,0,0,0
Cc1cc(C(=O)N[C@@H]2C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N[C@H](C=O)CCC(=O)NCc3cccc2c3)no1,0,0,1,0
Cc1cc2c(cc1-c1cc(/C=C/C(=O)O)ccc1OC(F)(F)F)N(C(C)C)C(=O)CC2(C)C,0,0,0,0
CCOc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2C)C1=O,0,0,0,0
COc1ccc(CNS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1OC,0,0,0,0
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccc(-c4ccccc4)s3)oc2C)cc1)C(=O)O,0,0,0,0
O=C(CCCl)N(Cc1nc2ccccc2c(=O)[nH]1)Cc1cccs1,0,0,0,0
CN(C)[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CN(C)c1nc2ccccc2c(N)c1-c1ccccc1,0,0,0,0
CCCN(CCC)CCNC(=O)C1CCN(c2nc3ccc(CC)cc3s2)CC1,0,1,0,0
O=c1[nH]c(C=Cc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c(=O)[nH]1,0,0,0,1
CC(C)(C)c1ccc(C=NNC(=S)NCc2ccccc2)cc1,0,0,0,0
N#Cc1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1,0,0,0,1
Cc1cccn2c(=O)c3cc(C(=O)N4CCCCC4)sc3nc12,0,0,0,0
CCSc1nnc(NC(=O)C2Cc3ccccc3CN2C(=O)c2ccco2)s1,0,0,0,1
CCc1ccc(OCC(=O)O/N=C(\N)c2ccncc2)c(Br)c1,0,1,0,0
Cc1ccc(NC2CCCN(C(=O)CCC3(C)CC3)C2)cc1C,1,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccccc2O[C@@H](C)CN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)C(C)C5)cc4OC)nc32)c1,0,0,1,0
CCc1c(C)[nH]c(N2CCN(c3cccc(OC)c3)CC2)nc1=O,0,0,0,0
COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(C5=NCCN5S(C)(=O)=O)CC4)cc2)CC3)cc1,0,0,0,0
Cc1[nH]c2ccccc2c1C(=O)CN1C(=O)NC(C)(c2ccc(Cl)cc2Cl)C1=O,1,0,0,0
COc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2cccc(C#N)c2)cc1,1,0,0,0
CN(C)c1ncc(/C=C2\COc3ccccc3C2=O)cn1,0,0,0,0
O=C1CN=C(c2ccco2)C=C2c3cccc(-c4ccncc4)c3CCN12,0,0,0,0
Cc1cc(/C=C2\SC(=S)N(C)C2=O)c(C)n1-c1ccc(O)cc1,0,1,0,0
Cc1ccc(-c2nc(O)c(-c3ccccc3)s2)cc1,0,0,0,0
O=C(NCCc1ccccc1)c1cccs1,0,1,0,0
CC1=NNC2=NC3=C(C(=O)CC(C)(C)C3)C(c3cccs3)C12,0,0,0,0
O=C(Nc1ccc(O)cc1)C1CC=CCC1,1,0,0,0
c1ncc(CCCC2CCCCN2)[nH]1,0,0,0,0
CSc1nnc(SCC2=NNC(=O)SC2)s1,0,0,0,0
CCc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,0,0,0,0
CSc1nn2cc(-c3nc4ccc(N)cc4o3)nc2s1,0,0,0,0
COc1cccc(C2c3cc4c(cc3OC(N3CCOCC3)C2C)OCO4)c1O,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,0,0,0,1
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc2c(c1)c1ccccc1n2C,0,0,0,0
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1CC(C)Oc2ccccc21,1,0,0,0
CC1(C)CC[C@@H](C#N)[C@@H](n2cc(C(N)=O)c(Nc3ccccc3)n2)C1,0,0,0,0
CNc1nc(NC2(C#N)CCCCC2)nc(-n2cccn2)n1,0,0,0,0
Cc1nn(-c2cc(Cl)cc(CCC(=O)O)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
COc1ccc(C(=O)C=CC(=O)N(CC(=O)NC2CCCCC2)CC2CCCO2)c(O)c1,1,0,0,0
CCc1nc2ccccc2n1CCCCOc1ccc(C)cc1,0,0,0,0
CCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,0,0,0,0
CCCCS(=O)(=O)N1CCCC(C(=O)Oc2ccccc2)C1,0,0,0,0
N#Cc1ccc(-c2ccc(-c3nccn3-c3ccc(C4(O)CCNCC4)cc3)o2)cc1,0,0,0,0
Cc1cccc(NCc2ccccc2O)c1,0,0,0,0
CC1Cc2ccccc2N1C(=O)COC(=O)c1cccnc1Cl,0,0,0,0
C/C(N)=C(/C#N)C(=O)CSc1ncnc2ccccc12,0,0,0,0
COc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3n2)cc1,1,0,0,0
CS(=O)(=O)c1ccccc1-c1ccc(N2CCC(NS(=O)(=O)c3cc4cc(Cl)ccc4o3)C2=O)c(F)c1,0,0,0,0
CC(=O)NCc1ccc(-c2csc(-c3cccs3)n2)cc1,1,1,0,0
CC1=C(C(=O)Nc2ccccc2)C(c2cc(Br)ccc2F)n2ncc(C(=O)Nc3ccccc3)c2N1,1,0,0,0
COc1ccc(C)cc1NC(=O)C(Sc1nnc(Nc2cc(C)ccc2OC)s1)c1ccccc1,1,0,0,0
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2ccc(Cl)cc2N2CCOCC2)CC1,0,0,1,0
Cc1nc(-c2cc(C(=O)N3CCC(c4ccc(C#N)cc4)CC3)ccc2Cl)c(C)[nH]1,0,0,0,0
COc1cccc(CNCCSc2nnnn2C)c1OC,0,0,0,0
CN(C)c1ccc(NC(=O)CCCc2ccccc2)cc1,0,1,0,0
COC(=O)C1=C(C)NC(=O)NC1c1ccccc1,0,0,0,0
CC(=O)Cc1nsc(NC(=O)c2ccc(COc3ccc(C)cc3)o2)n1,1,0,0,0
CCNCc1cccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)c1,0,0,0,0
O=S(=O)(NC1=NN2C(=NC(c3ccc(Cl)cc3)=CC2c2ccc(F)cc2)N1)c1ccccc1,1,0,0,0
Brc1ccc2c3c(cccc13)-c1nc3ccccc3nc1-2,0,0,0,0
CCN1CCc2nc3sc(C(=O)c4ccc(F)cc4)c(N)c3cc2C1,0,0,0,0
CCc1cc(-c2ccnn2C)c(O)cc1OCCCCCC(C)(C)c1nn[nH]n1,0,0,0,0
CCc1c(C)[nH]c2cc(-c3cccs3)nn2c1=O,0,0,0,0
C[C@]12C=CC(=O)C=C1[C@@H](F)C[C@H]1[C@@H]3C[C@H]4O[C@@H](c5ccc(Oc6ccccc6)cc5)O[C@@]4(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@]12F,0,0,0,0
COc1ccc(-n2nc(C(=O)NCCCN3CCCC3=O)c3c4ccccc4n(C)c3c2=O)cc1Cl,1,0,0,0
COc1ccc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)cc1,0,0,0,0
COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(CC(C)C)c3)cc1)CC2,0,0,0,0
COc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)CC1,0,0,0,0
O=c1ccc(-c2cnn3cc(-c4ccc(OCCN5CCOCC5)cc4)cnc23)c[nH]1,0,0,0,1
COc1ccc(NC(=O)C2CCN(Cc3cnn(-c4ccccc4)c3-n3cccc3)CC2)cc1OC,1,0,0,0
CC(C)C(=O)Nc1nnc(CCc2nnc(NC(=O)C(C)C)s2)s1,1,0,0,0
COC(=O)c1scc(C)c1N/N=C(\C)c1cc(F)c(Cl)cc1F,1,0,0,0
CN(Cc1ccccc1)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
N#C[C@@H]1CCCCC1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1,0,0,0,0
CC(C(=O)N1CCC(C(N)=O)CC1)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O,1,0,0,0
CN(C)C(=O)Oc1ccc(C[C@H](Nc2ncncc2-c2cccc(Cl)c2Cl)C(=O)O)cc1,0,0,0,0
COc1cc2c(Nc3ccc(Cc4cccnc4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1,0,0,0,0
C=CCOCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(OC(F)(F)F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5ccc(C)c(C)c5)CC4)c23)cc1,0,0,0,0
CN1C(=O)C(c2cccc(-c3cccnc3)c2)(C2CC2)N=C1N,0,0,0,0
Cc1cc2c(-c3nc(N4CCOCC4)c4sc(CN5CCN(C(C)(C)C(N)=O)CC5)cc4n3)cccc2[nH]1,0,0,0,0
COc1ccc(N2CCN(C(=O)COc3cccc4ccccc34)CC2)cc1,1,0,0,0
CCOc1ccc(Cc2nnc(N)s2)cc1OCC,0,0,0,0
CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(Cl)c1,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)C2CCc3cc(Cl)c(C)cc32)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
Cc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,0,0,0,0
CCOC(=O)/C(=N/Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
O=C(c1ccco1)N1CCN(CC(O)Cn2c3ccccc3c3ccccc32)CC1,1,0,0,0
CCc1cccc(-n2ncc(Cl)c(Oc3ccc(OC)cc3)c2=O)c1,0,0,0,0
NC(=O)N1CCCc2cc(-c3cncc(N4CCOC4=O)c3)cnc21,0,0,0,0
COc1cccc(-n2c(C)nc3ccccc3c2=O)c1,0,0,0,0
Cc1ccc2nc(-c3ccc(Cl)s3)c(Nc3ccc4c(c3)OCCO4)n2c1,0,0,0,0
O=C1NC(=O)c2cc3c(Cl)c(-c4ccccc4)[nH]c3cc21,0,0,0,0
Cn1cccc1C(=O)N1CCC2(CC1)CN(C(=O)Nc1cccc(C#N)c1)C2,1,0,0,0
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(-c4ccccc4)cn3)cc12,0,0,0,0
CN1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1,0,0,0,0
CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(Cn2ccc(=O)[nH]c2=O)cc1,0,0,0,0
CNC(=O)C1(C)C=CCN1C(=O)c1ccccc1,0,0,0,0
O=S(=O)(c1ccccc1)N1CCCC2(CCN(Cc3nccs3)C2)C1,1,0,0,0
CC(Nc1ncnc2nc[nH]c12)c1cc(Cl)c2ccnnc2c1-c1cccc(F)c1,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)CN(CC(F)F)CC2,0,0,0,0
NCc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
COc1cnc2ccc(=O)n(CCN3CCC(c4nc5ccc(C(F)(F)F)cc5[nH]4)CC3)c2c1,0,0,0,0
COc1cc(CNc2ccccc2)c([N+](=O)[O-])cc1OC,0,0,0,0
Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccccc3F)CC2)c2ccccc21,1,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3ccc(Cl)cc3)N2)cc1,0,0,0,0
Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CCS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
C=CCOc1ccc(CN(Cc2ccccc2)c2cccc(NS(C)(=O)=O)c2C)cc1,0,0,0,0
O=S(=O)(Nc1ccccc1)c1ccc(-c2csnn2)cc1,0,0,0,0
CCCCC(CC)CNC(=O)C(=O)C1C(=O)Nc2ccccc21,0,0,0,0
COc1ccccc1N(C(=O)OCC1CCC(COCC(=O)O)CC1)c1ccccc1,0,0,0,0
Cc1ccc(Nc2nnc(SCC(=O)c3cc4ccccc4o3)s2)cc1C,1,0,0,0
N#Cc1cc2c(cn1)[nH]c1ncc(-c3ccc(CO)cc3)cc12,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@](C)(c1ccccc1)O2,0,0,0,0
COCCn1c(SCC(=O)Nc2ccc(OC)c(OC)c2)nnc1-c1c[nH]c2ccccc12,1,0,0,0
Cc1cc(-c2cnn(CC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOc1ccc(-n2c(C)c3c(C)nnc(NCc4ccc5c(n4)NCCC5)c3c2C)cc1,0,0,0,0
O=C(O)c1ccc(-c2ccccn2)s1,0,0,0,0
COc1ccc(C2(C(=O)OCCCN3CCC(c4ccccc4)CC3)CCCC2)cc1,0,0,0,0
CC(C)(C)C(=O)Cn1ncc(N2CCOCC2)c(Br)c1=O,0,0,0,0
CCCOc1ccc(S(=O)(=O)NCCN2CCOCC2)c2ccccc12,1,0,0,0
CSc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3,0,0,0,0
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCC1)n2CC=NNc1ccc(C(=O)O)cc1,0,0,0,0
O=C(N=Nc1c(O)[nH]c2ccccc12)c1cc(NS(=O)(=O)c2cccs2)cc(NS(=O)(=O)c2cccs2)c1,1,0,0,0
CCOc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)c2ccccn2)cc1,0,0,0,0
Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(C(F)(F)F)n1,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)NCCCCCC(=O)NO)cc3)nc2c(=O)[nH]1,0,0,0,0
N[C@H]1C[C@@H](N2Cc3nn4cccnc4c3C2)CC[C@@H]1c1cc(F)ccc1F,0,0,0,0
COc1ccc(N=C2O/C(=C/c3sc(=S)n(CC4CCCO4)c3O)N=C2C#N)cc1,0,1,0,0
Nc1nc(NCCCC(=O)NO)c2[nH]cnc2n1,0,0,0,0
O=C(NC(=S)Nc1ccc(Br)cn1)c1cccs1,0,1,0,0
OCC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
Cc1cc2oc(=O)cc(CN3CCOCC3)c2cc1Cl,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCOc1ccc(C=NNC(=S)Nc2ccccc2[N+](=O)[O-])c(O)c1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)(C)C)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCc1cc(C(=O)c2ccc(F)cc2)ccc1OCCCOc1ccc2c(ccn2CC(=O)O)c1,0,0,0,0
O=C(O)COc1ccccc1C1CCCCC1,0,0,0,0
CCCCn1c(Oc2ccc(C(=O)OC)cc2)nc2c1c(=O)n(C)c(=O)n2C,1,0,0,0
NS(=O)(=O)c1ccc(-c2cc3ccncc3cc2OCC2CCNCC2)cc1,0,0,0,0
CCc1c(-c2ccc(Cl)cc2)c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(C(=O)O)n1C,0,0,0,0
COC[C@H]1Oc2cc3ncnc(Nc4cccc(I)c4)c3cc2O[C@@H]1COC,0,0,0,0
CC(=O)c1ccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)cc1,0,0,0,0
COc1ccc(CCN=C(N)NS(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
Cn1nnc2cc(C(=O)N3CCN(c4ccccc4)CC3)ccc21,0,0,0,0
CCOC(=O)C1CCN(C(c2ccc(OC)c(OC)c2)C2Sc3nc(C)nn3C2=O)CC1,1,0,0,0
COc1ccc(CCNC(=O)C(=O)NCC(c2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccccc4O)cc32)cc1C,0,0,0,0
COc1ccc(-c2cnc(C)o2)cc1S(=O)(=O)Nc1ccc(C)c(N(C)C)c1,0,0,0,0
COc1ccc(N2CCN(C(=O)c3ccc(CNS(=O)(=O)c4cccc(OC)c4)cc3)CC2)cc1,0,0,0,0
CC(C)CNC(=O)Cn1c(=O)c2c(ncn2CC(C)C)n(Cc2ccccc2)c1=O,0,0,0,0
Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12,0,1,0,0
CCOC(=O)CC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2-c1ccc(OC)cc1,0,0,0,0
Cc1c(C=NN2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc2n1C,1,0,0,0
O=C(O)Cc1cccc(Nc2ncc3ccn(C4CCCCC4)c3n2)c1,0,0,0,0
O=S(=O)(c1ccccc1)c1cnc2ccccc2c1,0,0,0,0
Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C)nc2n1,1,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)C(F)(F)F)CC2)c1F,0,0,0,0
O=c1nc[nH]c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)[nH]cnc1=O,0,0,0,0
O=c1c2cc(N3CCOCC3)ccc2[nH]c(=S)n1CCCN1CCCCC1,0,0,0,0
COc1cc(C=Nn2cnnc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-],1,0,0,0
CC(C)N1CCCN(C(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cn2)CC1,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3cnccc3C)c(=O)n(C)n2)nc1,0,0,0,0
COc1cc2nncc(-c3ccc(N4CCC(O)(c5cccnc5)CC4)nc3)c2cc1OC,0,0,0,0
COc1cncc(N2C[C@H]3CN[C@H]3C2)c1,0,0,0,0
O=C(CCN1C(=O)C(=Cc2ccccc2Cl)SC1=S)NCCCN1CCOCC1,1,0,0,0
COc1ccc2sc(C=Cc3ccccc3O)[n+](C)c2c1,0,0,0,1
O=C1CCOc2nc(COc3ccccc3)ccc21,0,0,0,0
COc1cc(S(=O)(=O)c2cc(F)cc(F)c2)cc2c3c(oc12)CCNC3,0,0,0,0
COc1ccc(CCNc2nc(C)cc(=O)[nH]2)cc1OC,0,0,0,0
NCCOCCOCCNS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CCCCC2)cc1,0,0,0,0
Cc1ccc(NC(=S)[C-](C(=O)c2ccc(Cl)s2)[n+]2cccc(CO)c2)cc1C,0,0,0,0
CC(c1ccc2c(c1)OCO2)n1c(=S)[nH]c2ccccc2c1=O,1,0,0,0
CN(C)CCNC(=O)c1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,0,0,0,0
Cc1ccc(NC(=O)CN(C)C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1,1,0,0,0
COc1cc(C=NN2CCOCC2)ccc1OCc1ccc(Cl)cc1,1,0,0,0
O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)c1cc2ccccc2o1,0,0,0,0
CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,0,0,0,0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCO,0,0,0,0
COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(Cl)c(C(=O)O)c2)cc1,0,1,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3cc(OC)ccc3c2=O)cc1,0,0,0,0
O=C(O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1,0,1,0,0
CC(=O)c1ccc2noc(-c3cccc(F)c3)c2c1,0,0,0,0
O=C(Nc1nc(-c2ccccc2)cs1)C1c2ccccc2Oc2ccccc21,1,0,0,0
CC(C)[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C1=O,0,0,0,0
CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](Cc1ccc(OC(=O)c2ccccc2)cc1)C(=O)O,0,0,0,0
Cc1ccc(C(=O)O)c(Oc2nc(Oc3cc(O)cc(-c4cccc(CN)c4)c3)c(F)cc2F)c1,0,0,0,0
Cc1nn(C)c(C)c1NS(=O)(=O)c1cc(F)c(CCCN2CCN(C)CC2)cc1F,0,0,0,0
CC(C)N(C(=O)[C@H]1CCC2C3CC[C@H]4NC(=O)CC[C@]4(C)C3CC[C@@]21C)C(C)C,0,0,0,0
Cc1nn(-c2ccc(Cl)nn2)c(=O)c2ccccc12,1,1,0,0
C[C@@H](c1ccc2ncccc2c1)c1nnc2ccc(-c3cnn(C)c3)nn12,0,0,0,1
CCC(=O)N1N=C2CC(C)(C)OCC2C1c1ccccc1,0,0,0,0
CCCc1ccc2oc(C(=O)N3CCN(CCC(N)=O)CC3)c(C)c2c1,1,0,0,0
CC(C)CCOc1ccc(C(=O)NCC(c2cccs2)N2CCOCC2)cc1,1,0,0,0
O=C1c2ccccc2C(=O)N1CC1=NCCc2ccccc21,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1C,0,0,0,0
O=C1CC2(CCN(c3ccc(C(=O)NCC(O)c4ccccc4)nn3)CC2)Oc2ccccc2N1,0,0,0,0
Cc1ccc(-c2csc(NC(=O)C3CC=CCC3C(=O)O)c2C(=O)OC(C)C)cc1,1,0,0,0
Cc1ccc(C(=O)O)c(N2C[C@H]3CC(c4ccccc4C(F)(F)F)C[C@H]3C2)n1,0,0,0,0
Clc1ccccc1-c1nnc2c(Cc3ccccc3)nc3ccccc3n12,0,0,0,0
NC(=O)NN=Cc1ccc(-c2ccc(S(=O)(=O)Nc3ncccn3)cc2)o1,0,0,0,0
Cc1cc(Cl)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
Cn1nnnc1SCC(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1,0,0,0,0
Cc1cc(Nc2nn(-c3ccc(F)cc3)c(=O)c3ccccc23)n[nH]1,0,0,0,0
COC(=O)CC1SC(=O)N=C1Nc1ccccc1,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1sccc1C,0,0,0,0
CCCN(CCCc1ccccc1OC)C1CCc2ccc3[nH]cc(C=O)c3c2C1,0,0,0,0
NC(=O)N1CCCc2cc(-c3cncc(C4CCCN4)c3)cnc21,0,0,0,0
O=C(O)c1csc(Cc2cc(Cl)ccc2OCc2ccccc2)n1,0,0,0,0
CC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,0,0,0,0
Cn1c(-c2ccccc2)cc(-c2ccccc2)nc1=O,0,0,0,0
Cc1cc(=O)c(C(=O)O)cn1Nc1ccc(Cl)cc1,0,0,0,0
N#Cc1ccc(N2CCOCC2)c([N+](=O)[O-])c1,0,0,0,0
COc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1OS(=O)(=O)c1ccc(C)cc1,0,0,0,0
Cc1ccc2oc(-c3cccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)c3C)nc2c1,1,1,0,0
Cc1ccc(-c2onc3ccc(C(=O)C=CN(C)C)cc23)cc1,0,0,0,0
CCOc1cc(CNc2ccc(N(C)C)cc2)cc(Br)c1OCC(=O)NC(C)(C)C,1,0,0,0
CCCCCCCC#CC1(C(F)(F)F)CC(c2ccc(C)cc2)=C(c2cn[nH]n2)C(=O)N1,0,0,0,0
O=C(O)Cc1sc(C2COc3ccccc3O2)nc1-c1ccc(Cl)cc1,0,0,0,0
COCCNC(=O)C(c1cccnc1)N(Cc1ccc(C)cc1)C(=O)Cn1nnc2ccccc21,1,0,0,0
Cc1ccccc1OCC1=NCCN1,0,0,0,0
CCOC(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0,0,0
O=c1cnc2cnc(OCc3ccccc3)nc2n1CCc1ccccc1,0,0,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(Cl)c2)C3)c1C,0,0,1,0
COc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,0,0,0,0
Nc1ccc(N2CCOCC2)cc1C(F)(F)F,0,0,0,0
CC1CCCCN1C(S)=NCCc1ccccc1,1,0,0,0
CCSc1nc2sc3c(c2c(=O)n1CC)CCC3,0,0,0,0
Cc1cccc(OCCNCCCOc2ccccc2)c1,0,0,0,0
CCOCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
O=c1cc(CO)oc(C(Nc2ccccn2)c2ccc(C(F)(F)F)cc2)c1O,0,0,0,0
N#Cc1ccc(N(CCCSc2ccc(OS(N)(=O)=O)cc2)n2cnnc2)cc1,0,0,0,0
CC1=CCCC2(C)C1=C(O)C(=O)c1cc3c(cc12)C(=O)C=CC3=O,0,0,0,0
CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(C)=O)S(=O)(=O)C12,0,0,0,0
CCc1cc(=O)oc2cc(C)c(CN3CCCC3)c(O)c12,1,0,0,0
CCOC(=O)CC(NC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C)c1ccc(OC(C)C)cc1,1,0,0,0
CCCCCN(C(=O)CCC(=O)OC(C)C(=O)NC1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
CCOC(=O)c1c(C)oc2cc(OC)c(OCc3oc4cc(OC)c(OCc5oc6cc(OCC)c(OS(=O)(=O)O)cc6c5C(=O)OCC)cc4c3C(=O)OCC)cc12,0,0,0,0
CSC1=C(c2ccc(O)cc2)C(=O)c2cc(O)ccc21,0,0,0,0
Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)cc1Cl,0,0,0,0
Cc1csc(CNC(=O)c2ccc(OC3CCN(CCc4ccccc4)CC3)cc2)n1,1,0,0,0
CC(=O)NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(N)ncnc32)C1,0,0,0,0
N=C(N)SCc1nc2ccccc2c(=O)n1-c1ccccc1,1,0,0,0
Cc1c(N=Cc2cccnc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
Cc1ccc(/C=N/N2C(=O)CN(C(C)C)C2c2ccc(C)cc2)cc1,0,0,0,0
Fc1ccc(F)c(-c2noc(-c3cnn(-c4ccccc4)c3-c3ccccc3)n2)c1,0,0,0,0
C=CC(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
Cc1nc(N)c2ncn(C3CCN(C(=O)c4ccc(S(=O)(=O)F)cc4)CC3)c2n1,0,0,1,0
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2nc(CN3CCN(CCCN4CCOCC4)CC3)ccc2c1,0,0,0,0
O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)c2c(c1)OCO2,0,1,0,0
COc1ccc(-c2csc3ncn(Cc4ccccc4)c(=O)c23)cc1,0,0,0,0
CC(c1cnc(C(C)(C)C)nc1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1,0,0,0,0
c1ccc(-c2cccs2)nc1,0,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(Cc3cccc(F)c3)C(=O)C(=O)O)ccc21,0,0,0,0
C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CCC(c2ncccn2)C1,0,0,0,0
CC(=O)c1cnc2ccc(-c3ccc4nc[nH]c4c3)cc2c1Nc1ccc(N2CCC(N(C)C)C2)nc1,0,0,0,0
NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cs1,0,0,0,0
CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)(F)F)c(F)c1,0,0,0,0
CCc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
COc1cc(-c2nc(CSc3nc(N)nc(N)n3)cs2)ccc1OCCF,0,0,0,0
CCCOc1ncc(-c2cccc(COc3cc(OC)cc4oc(-c5cn6nc(OC)sc6n5)cc34)c2)cn1,0,0,0,0
CCOc1ccc(C(=O)Nc2nc(C)c(C(=O)OC)s2)cc1,0,1,0,0
CCCc1cc(=O)oc2cc(OCc3cccc(OC)c3)c(Cl)cc12,0,0,0,0
CN1C[C@@H]2CCCC[C@]2(c2cccc3ccccc23)C1,0,0,0,0
C/C=C/c1ccc(OCCCCOc2c(OC)cccc2OC)c(OC)c1,0,0,0,0
COc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,0,0,0,0
CCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1,0,0,0,0
CC(Sc1nnc(COc2ccc3ccccc3c2)n1C)C(=O)O,0,0,0,0
CC(C)OCCCNc1ncc2c(n1)CC(c1ccc(N(C)C)cc1)CC2=O,1,0,0,0
CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0,0,0
CCc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)c2cc3occc3n12,1,0,0,0
c1cncc([C@@H]2CN3CCC[C@@H]3c3cc(OCCCN4CCOCC4)ccc32)c1,0,0,0,0
COc1cc(C)cc2cc(-c3c(CO)c(CN4CCNC(=O)C4)n4ncnc(N)c34)sc12,0,0,0,0
C=CCn1c(-c2ccccc2F)n[nH]c1=S,0,0,0,0
CCCCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccccc2C)c1=O,0,0,0,0
COc1cccc(N2CCN(Cc3coc4c(Cl)cc(Cl)cc4c3=O)CC2)c1,0,0,0,0
CN1CCC(COCc2cc(C(F)(F)F)cc(N3CCC(C#N)CC3)n2)(c2ccc(F)cc2)CC1,0,0,0,0
O=C(O)c1cccc(C(SCCNS(=O)(=O)c2ccccc2)c2ccccc2)c1,0,0,0,0
CCN(CC)CCCNc1ccc2ncn3c4ccc(O)cc4c(=O)c1c23,0,0,0,1
COCc1c(C#N)c(NCCc2ccc(F)cc2)nc(C)c1[N+](=O)[O-],0,0,0,0
O=C1OCc2ccc(OCc3ccc(Cl)cc3)cc21,0,0,0,0
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(NC(=O)[C@@H]2CC(=O)NC(=O)N2)cc1)C(=O)N[C@@H](Cc1ccc(NC(N)=O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=O)[C@H]1CC(=O)NC(=O)N1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O,0,0,0,0
CCn1c(C[S+]([O-])Cc2ccc(Cl)cc2Cl)nnc1SCc1c(Cl)cccc1Cl,1,0,0,0
O=C(Nc1nc2ccccc2s1)c1cc2c(s1)-c1ccccc1OC2,1,0,0,0
CCCS(=O)(=O)c1nc(S(=O)(=O)c2ccc(C)cc2)c(NCCN2CCOCC2)s1,0,0,0,0
COc1ccc(N2C(=O)CSC23CCCCC3)cc1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
O=S(=O)(/N=C(/c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)cc1,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOC(C)(C)C4)ncn3)c2c1,0,0,0,0
CCn1cnc2c1c(=O)n(Cc1ccc(C(=O)OC)cc1)c(=O)n2Cc1ccccc1,0,0,0,0
CC(=O)N1C(c2ccccc2)CC(=O)OC1c1ccc2c(c1)OCO2,0,0,0,0
Nc1ccc(CNc2nnc[nH]2)cc1,0,0,0,0
O=C(OCc1nc2ccccc2s1)c1ccccc1O,0,1,0,0
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3cc(OC)c(OC)cc3n2)cc1,0,0,1,0
Oc1cc(-c2nc(-c3cccnc3)[nH]c2-c2ccncc2)ccc1Cl,0,0,0,0
N#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(C(F)(F)F)cc2)cc1,0,0,0,0
Cc1nnc2c[nH][nH]c1-2,0,0,0,0
CCOC(=O)CN(C(=O)CSc1nnc(CNc2ccc(C)cc2C)o1)c1ccccc1,1,0,0,0
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc(OC)c1OC,0,0,0,0
COc1ccc2nc(SCc3ccccc3C)nc(C)c2c1,0,0,0,0
Cc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0,0,0
Nc1nc(OCCC2CCN(c3cc(-c4cc5ccccc5s4)ncn3)CC2)ncc1F,0,0,0,0
CCOc1cc(OCC)c2c(c1)S(=O)(=O)N(COC(=O)c1c(Cl)ccc(OCCN3CCCC3)c1Cl)C2=O,0,0,0,0
Cc1ccc(C[C@]2(O)CC[C@H]3[C@@H]4CCc5cc(OS(N)(=O)=O)ccc5[C@H]4CC[C@@]32C)cc1,0,0,0,0
Cc1cccn2cc(-c3ccc(F)cc3)cc12,0,0,0,0
Cc1ccc(C(=O)Oc2cc(C)nn3cnnc23)cc1,0,0,0,0
COc1ccc(-c2csc(-c3cccs3)n2)c(OC)c1,0,1,0,0
Cc1cc2cc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)c(=O)[nH]c2cc1C,1,0,0,0
CCNc1ncc2nc(-c3ccccc3)c(=O)n(-c3ccc(OC)cc3)c2n1,0,0,0,0
CCOC(=O)c1cnc2c(ccc3ccccc32)c1NCCO,0,0,0,0
Cc1cccc(-c2noc(C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)c1,0,0,0,0
O=[N+]([O-])c1ccc(N2CCCCC2)s1,0,0,0,0
CCOC(=O)c1c(S(=O)(=O)N2CCN(C)CC2)c(C)n(C)c1C,0,0,0,0
CN1CCN(C2CN(C(=O)c3cc4cc(Nc5nccc(-c6ccccn6)n5)ccc4[nH]3)C2)CC1,0,0,0,0
Cc1cc(N2CCN(c3cccc(C)c3C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,0,0,0,0
OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]nc2-c2ccccc2)CC1,0,0,0,0
Cn1cc(C2=C(c3cn(C4CCN(C(=O)OC(C)(C)C)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0,0,0,0
CCOc1cc(/C=C2/C(=O)ON=C2C)ccc1OCc1ccc(F)cc1,0,0,0,0
CCCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(F)cc1,0,0,0,0
COc1ccc(-c2csc(NCc3ccco3)n2)cc1,0,1,0,0
COc1cc(-c2ccc(Cl)cn2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
O=C(c1ccc(Br)cc1)N(Cc1cccs1)c1ccc(F)cc1,0,0,0,0
CCc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(=O)O)c2c1,0,0,0,0
O=C(O)CCCC(=O)Nc1ccc(N2CCCC2)cc1,0,1,0,0
N#Cc1cccc(C2CCN(c3cc(=NC4CC4)n4nc/c(=C\c5[nH]c(=O)[nH]c5O)c4n3)CC2)c1,0,0,0,0
CCN(CC#CCC1(O)c2ccccc2-c2ccccc21)C(C)C,0,0,0,0
COc1ccc(-c2cn(C)nc2-c2cccc(C)n2)cc1,0,0,0,0
CSC(=Nc1ccc(Cl)cc1)NS(=O)(=O)c1cccs1,0,0,0,0
O=C(c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12)N1CCCCCC1,0,0,0,0
CCSc1ccc(-c2ccccn2)c2c1C(=O)CCC2,0,0,0,1
Cc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2ccc(F)c(F)c2)c1)C(F)(F)F,0,0,0,0
CCCCOc1ccc(-c2nnn(CCC(=O)N3CCOCC3)n2)cc1,1,1,0,0
C=C(C)C(=O)Nc1cc(F)cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
O=C(CNC(=S)NC(=O)C1CCCCC1)c1ccccc1,1,1,0,0
Nc1ncc(-c2nc3cnccc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1,0,0,0,0
Cc1cc(C)c(-c2noc(C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C)c(C)c1,0,0,0,0
C=CCSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
NCc1ccccc1C1(O)CCN(C(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1,0,0,0,0
CCOC(=O)C1CCCN(C(=O)C2CCN(Cc3nc(-c4ccc(Cl)cc4)oc3C)CC2)C1,1,0,0,0
CCO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccccc12)C(=O)O,0,0,0,0
CC1CCOC(=O)C=CC=CC(=O)OC2CC3OC4C5OC5(C)CCC4(COC(=O)C1O)C2(C)C31CO1,0,0,0,0
CCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3cc(F)ccc3n2S(=O)(=O)c2ccccc2F)CC1,0,0,0,0
CC1CN(C(=O)c2ccn(C)n2)CC(C)O1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)(F)F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCn1c(Cn2nnc(-c3ccc(C)cc3)n2)n[nH]c1=S,0,0,0,0
COc1ccc(C)cc1Nc1nc(N)c2cc(OC)c(OC)cc2n1,0,0,0,0
CC(CCCC1SCC2NC(=O)NC21)C(=O)O,0,0,0,0
OC(COc1cccc(-c2ccc3[nH]ncc3c2)c1)CN1CCc2ccccc2C1,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2c(C)sc3ncn(CC(=O)Nc4ccc(C(C)C)cc4)c(=O)c23)CC1,1,0,0,0
COCCCn1c(SCc2nnc(-c3ccccc3)o2)nc2sc3c(c2c1=O)CCC3,1,0,0,0
COc1ccc(-c2nc3c(C(N)=O)cccc3n2C(=O)OCc2ccccc2)cc1,0,0,0,0
Cc1cccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)c1,0,0,0,0
Cc1nn(C)cc1C1C(C#N)=C(N)N(c2cccnc2)C2=C1C(=O)CCC2,0,0,0,0
Cc1ccn2c(C=O)c(-c3ccc(F)cc3)c(C=O)c2c1,0,0,0,0
CCC(C)Sc1ccc(-c2nc3ccc(C)cn3c2NC2CCCCC2)cc1,0,0,0,1
Cc1ccc2c(c1Br)C(=NN1C(=O)c3ccccc3C1=O)C(=O)N2,0,0,0,0
Cc1cc(=O)n(Cc2ccccc2)[nH]1,0,0,0,0
COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)c(F)c3)c2cc1OC,0,0,0,0
COc1cccc(CSc2nccn2C)c1,0,0,0,0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=N)NOC(=O)C(C)(C)C,0,0,0,0
Cc1c(C(=O)N(c2ccc(O)cc2)c2cc(C#N)n(CCN3CCOCC3)c2C)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2C)n1C,0,0,0,0
NC(=O)c1nn(-c2cccc(Cl)c2)c2c1CCc1[nH]ncc1-2,0,0,0,0
NC(=O)c1c2c(c(SCc3ccccc3Cl)[nH]c1=O)CCCC2,0,0,0,0
CN(c1ccccc1-c1ccc2cnc(Nc3ccc(C4CCN(CC(N)=O)CC4)cc3)nn12)S(C)(=O)=O,0,0,0,0
O=C(O)c1nc2ccccc2n(C2C[C@H]3CCC[C@@H](C2)N3C2CC3CCCC(C3)C2)c1=O,0,0,0,0
CCOC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1N,0,0,0,0
CCCCC(Nc1ncnc2ccccc12)C(=O)O,0,0,0,0
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)N3CCN(c4ncccn4)CC3)cc2)cc1,0,0,0,0
Nn1c(CCCCN2CCN(c3ccc4ccccc4n3)CC2)nc2ccc(F)cc2c1=O,0,0,0,0
Cc1ccc(C(=O)C2CN3CCC2CC3)cc1.Cl,0,0,0,0
Cc1cccc2cc(CN(CC3CCCO3)C(=O)c3ccncc3)c(=O)[nH]c12,0,0,0,0
CC(C)Cc1ccc(N2CCC(Oc3cccc4ccc(NCc5ccc(-c6cccc(C(F)(F)F)c6)o5)nc34)C2)cc1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(N)=O)C[C@@H]1F,0,0,0,0
CCOc1cccc(Cl)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COc1cc(NS(C)(=O)=O)ccc1-c1cnccc1C,0,0,0,0
COCOc1ccc2nc(-c3cn4nc(SC)sc4n3)oc2c1,0,0,0,0
O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1,0,1,0,0
NC(=O)C1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(OC)c4)cc32)cc1C,0,0,0,0
O=[N+]([O-])c1ccc2c(N=Nc3ccc4ccccc4c3O)c(O)cc(S(=O)(=O)O)c2c1,0,0,0,0
CCOc1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1,0,1,0,0
CC1=C(C(=O)Nc2ccc(C)cc2C)C(c2ccccc2)n2ncc(C(=O)Nc3ccccc3)c2N1,1,0,0,0
O=C(Nc1cccc(NC(=O)c2ccccc2[N+](=O)[O-])n1)c1ccccc1[N+](=O)[O-],1,0,0,0
CCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(C(=O)O)n3)cc2)[nH]1,0,0,0,0
O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CCn3cnc4ccccc43)CC2)[C@@H](c2ccccc2)C1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(SC(C)C)cc2)c1C,0,0,0,0
CC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)oc2c1,0,0,0,0
COCc1ccccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(SC(F)(F)F)cc1,0,0,0,0
O=C(c1cc(-c2ccco2)on1)N1CCOCC1,1,0,0,0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)n1cc(-c2cnn3ccc(Cl)nc23)cn1,0,0,0,0
NC(=O)c1ccc(N2CCC(OC(=O)N3CCN(C4CC4)CC3)CC2)nc1,0,0,0,0
CCc1ccc(-n2cnc3c(sc4nccc(NC5CC5)c43)c2=O)cc1,0,0,0,0
CCN(CC)C(=O)c1sc2nc(-c3ccccc3)ccc2c1N,1,1,0,0
CCC(C)NC(=O)c1oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc2c1C,1,0,0,0
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccccc1O,0,1,1,0
CN=C(N)Nc1ccc(OCCc2ccccc2)c(-c2ccccc2)c1,0,0,0,0
COc1cc2[nH]c(CN(C)Cc3nc(=O)c4ccccc4[nH]3)nc(=O)c2cc1OC,0,0,0,0
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1,0,0,0,0
Cn1cc(-c2ccc(=O)n(Cc3cccc(Nc4ncc(-c5cnn(CCO)c5)cn4)c3)n2)cn1,0,0,0,0
CC(C)CNc1nc2ncnc(N)c2[nH]1,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3c2ccc(Cl)c3F)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
S=c1[nH]nc(-c2ccc(Cl)cc2)[nH]1,0,0,0,0
CCc1c(O)nc(SCC(=O)NC(C)(C)C)n(-c2ccccc2)c1=O,0,0,0,0
COc1cc2cc(CO)c(CO)c(-c3ccnc(-n4c(=O)c5ccccc5c5ccccc54)c3)c2cc1OC,0,0,0,1
CCCCCCCCN(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1,0,0,0,0
Cc1sc2ncnc(N3CCCCC3C)c2c1C,0,0,0,0
C[C@H]1CN2CCN(Cc3ccccc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
CC(C)(C)c1cc(NC(=O)c2ccco2)no1,0,1,0,0
Cc1nn(-c2cccc(F)c2)c2cc(N[C@@H](C)c3ccccc3)ncc12,0,0,0,0
CCN(CCNC(=O)Cn1cc2c(n1)CCCC2)c1ccccc1,1,0,0,0
CCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)C3N(C)c4ccccc4C23CC1C(=O)OC,1,0,0,0
CC(C)OC(=O)/C=C\n1cnc(-c2cc(OCCN3CCCC3)cc(C(F)(F)F)c2)n1,0,0,0,0
CS(=O)(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1,0,0,0,0
COc1ccc(-c2cnc(-c3ccc(S(=O)(=O)NC(C(=O)NO)C(C)C)cc3)s2)cc1,0,0,0,0
O=C1CCC(c2ccc3nc(-c4ccccc4)oc3c2)=NN1,0,0,0,0
COc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N23)c1,0,0,0,0
COC(=O)N/N=C/c1ccc(OCCSc2ccc(Cl)cc2)c(OC)c1,1,0,0,0
Cc1cc(C)n2nc(CNS(=O)(=O)c3ccc(F)c(C)c3)nc2n1,0,0,0,0
COc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1,0,0,0,0
CC(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
COc1ccc(C(CNC(=O)Cc2ccc(-c3ccccc3)cc2)N(C)C)cc1,1,0,0,0
O=C(c1noc2c1CCCC2)N1CCc2ccccc2C1,0,1,0,0
CCCCOc1ccc(C=CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1OCC,0,0,0,0
CCN(Cc1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1)C(C)=O,0,0,0,0
CC1CCC2CCCCC2N1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0,0,0,0
Cc1c(-c2ncnc3[nH]c(-c4ccc(C(=O)N5CC(O)C5)cc4)cc23)cccc1N1CCc2cc(C3CC3)ccc2C1=O,0,0,0,0
Cc1cc(C)c(S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NCc2ccccn2)c(C)c1,1,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNS(C)(=O)=O)nc2-c2ccc(C)cc2)c1,0,0,0,0
CCCCCCn1c(=O)[nH]c2c(c1=O)CCC2,0,0,0,0
N#Cc1c[nH]c2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)cc4cn[nH]c(=O)c34)cccc12,0,0,0,0
CC(C)(/C=C(\C#N)C(=O)N1CCC[C@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,0,0,1,0
Cc1ccc(-n2ncc3c2CCCC3NC(=O)CCCN2CCCCC2=O)cc1C,1,0,0,0
c1ccc(Nc2nc(-c3cccs3)cs2)nc1,1,1,0,0
CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1,0,0,0,0
CCN(c1ccccc1)S(=O)(=O)c1ccc2[nH]cc(C(=O)N3CCOCC3)c(=O)c2c1,0,0,0,0
N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2c2cccs2)CC1,1,0,0,0
O=C(O)CCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
COc1ccc(-c2ccc(-c3ccc(OC)c(OC4CCCC4)c3)o2)cc1OC1CCCC1,0,0,0,0
CCOC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccccc3)cc12,0,0,0,0
CC(=O)N1N=C(c2cc(F)ccc2F)S[C@@]12c1cccc(F)c1OC[C@H]2CCN,0,0,0,0
O=C1CN(C(=O)/C=C/c2ccco2)c2ccccc2N1,0,0,0,0
CCN(C(C)=O)C(=O)Nc1ccc2ncc(-c3ccccc3)nc2n1,0,0,0,0
COc1cc(C(=O)N2CC(OC)C2)ccc1Nc1cc2c(-c3cccnc3)cccc2cn1,0,0,0,0
C=CC[C@H]1[C@@H]2Cc3c(C(=O)O)n[nH]c3[C@H]12,0,0,0,0
CCOC(=O)C1C(=O)OC(C)(C)C1C(C)C(=O)c1ccc(OC)cc1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)n2ccc(-c3ccc(OCCN(C)c4ccccn4)cc3)n2)c(C)c1,1,0,0,0
CSc1ccc(C2OCc3ccc([C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc32)cc1,0,0,0,0
CSc1ccc(OC2CCCCC2NS(=O)(=O)c2ccc(Cl)cc2)cc1,0,0,0,0
O=C1c2ccoc2CCC1CCN1CCC(c2noc3cc(F)ccc23)CC1,0,0,0,0
COc1ccc(-c2cc(O)n(-c3ccc([N+](=O)[O-])cc3)n2)cc1,1,0,0,0
CC(C)C1CCC(N2CCC(N3C(=O)CCc4ccccc43)CC2)CC1,0,0,0,0
COc1ccc(Nc2nc(N)nc(CSc3nc4ccccc4s3)n2)cc1,1,0,0,0
Nc1ncnc2c1cnn2C1CCN(Cc2ccc(-c3ncc(-c4ncccn4)cc3-c3ccccc3)cc2)CC1,0,0,0,0
CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1c(Cl)cccc1Cl,0,0,0,0
Cc1ccc2nc(N3CCC(C(=O)N4CCC5(CC4)OCCO5)CC3)sc2c1,1,1,0,0
CCOC(=O)CCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,0,0,0
COc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1,1,0,0,0
OC1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,0,0,0,0
CCCC1(C(O)CCCN2CCC(=O)N2CCc2ccc(C(=O)O)cc2)CCC1,0,0,0,0
COc1ccc(Nc2ccc(CCNC[C@H](O)c3ccc(O)c(NC=O)c3)cc2)cc1-c1ccccc1,0,0,0,0
CCCCN(C)CCCNC(=O)c1ccc2nc(N3CCCCC3)sc2c1,0,0,0,0
COc1ccc(-c2n[nH]cc2CN(C)C2CCOC2)c(OC)c1,0,0,0,0
Fc1ccc(Nc2nc3ccccc3n3cnnc23)c(F)c1,0,0,0,0
CCOc1ccc(N2C(=O)CSC23CCCCC3)cc1,1,0,0,0
COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2=CN(C)C)cc1,1,0,0,0
CCc1cnc2c(c1SC(C(C)=O)C(=O)N(C)C)c(=O)n(C)c(=O)n2C,0,0,0,0
COc1cc2c(cc1OC)-c1nc(N)c(CN)c(-c3ccc(Cl)cc3Cl)c1C2,0,0,0,0
Cc1cc(Oc2nc3c(C)cccn3c(=O)c2C=C(C#N)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl,0,0,0,0
O=[N+]([O-])c1ccccc1NCc1ccc(Cl)cc1,0,0,0,0
Fc1ccc2c(c1)nnn2C1CCN(Cc2nnnn2CCc2ccccc2)CC1,0,0,0,0
C=CCn1c(-c2csc3ccccc23)n[nH]c1=S,0,0,0,0
CC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C,0,1,0,0
N#CCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
COc1cccc(-c2cc(C(=O)NCc3ccccc3)[nH]n2)c1,0,1,0,0
C#CCn1c(=O)c2[nH]c(Cc3c(F)cccc3F)nc2n(Cc2ccco2)c1=O,0,0,0,0
Cn1c2ccccc2c2cnn(CC(=O)NCCCN3CCN(c4ccccc4F)CC3)c(=O)c21,1,0,0,0
COc1cccc(N/C(SCc2cccc([N+](=O)[O-])c2)=C(/C#N)C(=O)NCc2cccs2)c1,1,0,0,0
COc1cccc(N2CCN(C(=O)c3cc4c(=O)oc5ccc(C)cc5c4s3)CC2)c1,0,0,0,0
Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)n2O)cc1,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)NCCCCC(=O)NO)cc3)nc2c(=O)[nH]1,0,0,0,0
CN(C)CCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1,0,0,0,0
O=C1NC2CCCCCC2N1c1nc2ccc(F)cc2o1,0,0,0,1
O=c1[nH]c2ccccc2cc1-c1csc(-c2cccnc2)n1,0,0,0,0
c1ccc2c(NC3=NCCS3)cccc2c1,0,0,0,1
O=C(NC1CCS(=O)(=O)C1)c1cn(-c2ccccc2)nc1-c1ccccc1,0,1,0,0
COc1cccc(C2(N3CCN(c4ccccc4)CC3)[C@@H]3CC(C)C[C@@H]32)c1,0,0,0,0
Cc1cccc(NC(=O)c2oc3c(c2C)-c2n[nH]cc2CC3)c1C,1,0,0,0
OC(CNCCC(c1ccccc1)c1ccccc1)COc1ccccc1,0,0,0,0
CCC1OC(=O)CC(O)C(C)C(OC2OC(C)C(OC3CC(C)(O)C(O)C(C)O3)C(N(C)C)C2O)C(CC=O)CC(C)C(=O)C=CC(C)=CC1COC1OC(C)C(O)C(OC)C1OC,0,0,0,0
Cc1ccccc1-c1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c2ccccc2n1,1,0,0,0
C[C@@]1(O)CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
Cc1cc(Nc2ccccc2)n(CCC#N)n1,0,0,0,0
Cc1cc(C)n2nc(CNS(=O)(=O)c3ccc(C)c(C)c3)nc2n1,0,0,0,0
Cc1ccc(-n2c(-c3cccc(C)c3)nc3c(cnn3-c3ccccc3)c2=O)cc1,0,0,0,0
CN(C)c1ccc(-c2nc3ncnc(N)c3cc2-c2ccc(C(C)(C)C)cc2)cc1,0,0,0,0
CCN(C)CCc1c(-c2cccc([N+](=O)[O-])c2)[nH]c2ccccc12,0,0,0,0
Cc1ccccc1OCC(=O)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1,1,0,0,0
CCOC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
CN1CCC(=O)N/C1=N\C(=S)Nc1cccc(Cl)c1,0,0,0,0
CN1CCc2cc(-c3ccc(C[C@@H](C#N)NC(=O)[C@H]4N[C@@H]5CC[C@H]4C5)c(F)c3)ccc2C1=O,0,0,0,0
CC(=O)c1c2c3c(c(Br)ccc3n(C)c1=O)C(=O)c1ccccc1-2,1,0,0,1
NC(=O)c1sc2nc(-c3ccccc3)ccc2c1N,0,1,0,0
CN1CCN(C(=O)c2ccc(-n3cccc3)cc2)CC1,1,0,0,0
CC(O)CN1CCN(CCSC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0,0,0,0
CCCCOc1ccc(-c2nc(C=Nc3nccs3)c(O)o2)cc1,1,0,0,0
Cc1c(CNC2CCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1,0,0,0,0
Cc1ccccc1-n1c(N)cc(=O)[nH]c1=S,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@@H](C)C(=O)NCC(F)(F)F)c12,0,0,0,0
Cc1ccccc1NC(=S)NC(C)CCc1ccccc1,0,0,0,0
COCCn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2Cc1ccccc1,0,0,0,0
CC(=O)c1cccc(CN2CCN(CCC(C)C)C(CCO)C2)c1,0,0,0,0
CCc1sc(CCc2cc(OCC3(C)CC3)cc(NCc3cc(Cl)cc(NC(=O)OC(C)C)c3)n2)nc1C,0,0,0,0
CC(C)C1CCC(N2CCC(N3C(=O)CC(=O)Nc4ccccc43)CC2)CC1,0,0,0,0
CC(C)N1CCOC(COc2ccc(CN3CCOCC3)cc2)C1,0,0,0,0
CCOc1ccc(Nc2c(C)c(NCCCNC3CCCCC3)c(C#N)c3ccnn23)cc1,0,0,0,0
CC(C)(O)c1ccc(-c2cnc3c(n2)N(C2CCOCC2)CC(=O)N3)cn1,0,0,0,0
O=C(c1ccncc1)N1CCC2(CC1)CN(C(c1ccccc1)c1ccccc1)C2,1,0,0,0
Cn1c(=O)c2nc(-c3ccc(Cl)cc3Cl)oc2c2ccccc21,1,0,0,0
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N/C=C3\CCCC3=O)cc2)n1,0,0,0,0
O=C(CCCCNC(=O)c1nc(-c2nccs2)sc1-c1ccc(F)cc1Cl)NO,0,0,0,0
COCCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCC3CO)cc2)CC1,0,0,0,0
O=C(CCCCl)Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1,1,0,0,0
COC(=O)Cc1csc(-c2cc3cc(Oc4ccc(S(C)(=O)=O)cc4)c(C4CCC(=O)N4C)cc3[nH]2)n1,0,0,0,0
CCCOC(=O)c1sc2nc3c(cc2c1N)C(=O)CCC3,0,0,0,0
O=[N+]([O-])c1ccc(N2CCOCC2)cc1NCCCO,0,0,0,0
CCN(CC)Cc1nc2c(c(=O)[nH]1)C1(CCCCC1)Cc1ccccc1-2,0,0,0,0
Cc1ccc(N2CCN(C(=O)c3cnn(-c4ccc(F)cc4F)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c(C)c1,1,0,0,0
Cc1cc(-c2ccnn2C)c2cccc(OCc3c(C)ccnc3CNC(=O)C(C)C)c2n1,0,0,0,0
COc1ccc(C(=O)Nc2nccs2)cc1,0,1,0,0
COc1ccc(Sc2c(C(=O)O)n(Cc3cc(OC)c4c(c3)OCO4)c3cc4c(cc23)OCO4)cc1OC,0,0,0,0
C[C@H]1C[C@@H](N(C(=O)CCC(=O)O)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1,0,0,0,0
CC(=O)NCCNc1nc(-c2cccc(NS(C)(=O)=O)c2)nc2ccccc12,0,0,0,0
Cc1cc[n+]([O-])c(C)c1C(=O)N1CCC(N2CCC(N(c3ccccc3)c3ccccc3)CC2)CC1,0,0,0,0
CS(=O)(=O)NC(=O)NCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12,0,0,0,0
CC[C@@H](Cc1csc(C)n1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCC(C)C)C(C)C,0,0,0,0
COc1cc(CN(CC(C)C)C(CC(=O)O)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
COC(=O)c1ccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)cc1,0,0,0,0
COc1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1cccnc1)=N2,1,0,0,0
COC(=O)C1CCCCN1C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1,0,0,0,0
Cc1cc(=O)nc(SCC=Cc2ccccc2)[nH]1,0,0,0,0
CC(C)(C)Cn1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)n1,0,0,0,0
COc1ccc(Cl)cc1Nc1ncnc2sc(C)c(S(=O)(=O)N3CCC(C)CC3)c12,1,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
Cc1nc(Cl)c(C#N)c2c1CCCC2,0,0,0,0
COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)c1ccccc1C(=O)O,0,1,0,0
COc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn23)cc1,1,0,0,0
Cc1cc(O)cc2c1C(=O)/C(=C/c1ccco1)O2,0,1,0,0
C=CCNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(OC)c(OC)c1,0,0,0,0
CN(CCS(C)(=O)=O)C1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CC1,0,0,0,0
Cc1cccc(N2CCN(C(=O)Cn3cnc4sc(C)c(S(=O)(=O)N5CCN(c6ncccn6)CC5)c4c3=O)CC2C)c1,1,0,0,0
CC[C@@]12C[C@](O)(CC)[C@](O)(c3ccccc3)C[C@H]1CCc1cc(O)ccc12,0,0,0,0
CCCN1C=CC=C2C(=O)NC(N)N=C21,0,0,0,0
Cc1ccc(-c2c(NS(=O)(=O)NCc3ccccc3)ncnc2OCCOc2ncc(Br)cn2)cc1,0,0,0,0
Cn1c(SCc2ccccc2)nnc1-c1ccco1,0,0,0,0
CCCc1nc2c(ccc3ccccc32)cc1CC,0,0,0,0
O=C(Nc1ccc2ccccc2n1)c1ccccc1Cl,0,1,0,0
CCOC(=O)C1(CCOC)CCN(Cc2ccc(COC)o2)CC1,0,0,0,0
O=S(=O)(CCc1nc2ccccc2s1)c1ccc(Cl)cc1,0,0,0,0
Nc1ncc(S(=O)(=O)NCc2cccc(Cl)c2)cn1,0,0,0,0
Cc1c(C#N)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
CN(Cc1ccco1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2)s1,0,1,0,0
CC[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cc(OC)cc(OC)c2)C1=O,0,0,0,0
CCSc1ccc(-c2ccccn2)c2c1C(=O)CC(C)C2,0,0,0,1
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1Nc1cc(OCCN3CCOCC3)ccc1CC2,0,0,0,0
COc1cc2c(Nc3ccc(F)c(Cl)c3F)ncnc2cc1O[C@@H]1C[C@H]2OC[C@H](OC)[C@H]2O1,0,0,0,1
CN1C(=CC=CC2=[N+](C)c3ccc4ccccc4c3C2(C)C)C(C)(C)c2ccccc21,1,0,0,0
O=C(NCCCO)c1ccc(CSc2nc(=O)c3ccccc3[nH]2)cc1,0,0,0,0
COc1cc2cc(Oc3ccc4ccc(=O)oc4c3)c(=O)oc2cc1OC1OC(CO)C(O)C(O)C1O,0,0,0,1
Cn1c(CN2CCOCC2)nnc1Sc1ccc([N+](=O)[O-])c2nonc12,0,0,1,0
CCCNC(=O)c1ccc(Cn2cc(C(F)(F)F)ccc2=O)cc1,0,0,0,0
O=C(CSc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCO2,1,0,0,0
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc(F)c(C#CC3(O)CCNCC3)c21,0,0,0,0
Cc1cnc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)s1,1,0,0,0
CC1CCCCN1Cc1ccc(Cl)nc1,0,0,0,0
CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCCCC2)cc1)C(=O)O,0,0,0,0
COC(=O)c1ccc(Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)c(S(=O)(=O)c2ccccc2)c1,0,0,0,0
O=C(c1ccccc1)c1cc([N+](=O)[O-])ccc1Cn1ccnc1,0,0,0,0
C=CCN1C(=O)C(C=NNC(=O)CCCC)C(=O)NC1=S,0,0,0,0
C/C(=N\N1C(=O)CSC1=S)c1ccc(Br)cc1,0,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(Cc3cccc(F)c3)CCc3ccccc32)cc1,0,0,0,0
CCc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)ccc1Cl,0,0,0,0
CCOc1ccc(OCCCCOc2ccccc2C(C)=O)cc1,0,0,0,0
Cn1nc(NC(=O)C(F)(F)F)c2ncc(-c3ccc(Cl)cc3)nc21,0,0,0,0
CC(C)(C)c1cc2cccnc2n1Cc1ccccc1,0,0,0,0
Fc1ccccc1CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1,0,0,0,0
C=CC(=O)N1CCC[C@@H](NC(=O)c2sc3nccc4c3c2NC(=O)N4c2cnc(CC(C)C)cc2C)C1,0,0,1,0
O=C(CSc1c2c(nc3cc(Cl)ccc13)CCCC2)NCCCN1CCOCC1,1,0,0,0
Cc1cc(Nc2cc(C3CC3)[nH]n2)nc(Nc2ccc(CCN)cc2)n1,0,0,0,0
Cc1[nH]cnc1CN1CCN(c2cccc(C#N)c2)C1=O,0,0,0,0
Cc1ccccc1C(=O)C=C1c2ccccc2CC(C)(C)N1C,1,0,0,0
O=S(=O)(N=C(c1ccc(Cl)cc1)N1CCOCC1)c1ccc(Cl)cc1,0,0,0,0
O=C(CN1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1)Nc1ccc(F)cc1F,1,0,0,0
C/C=C(\C)CN1CCCC(CO)(Cc2ccccc2)C1,0,0,0,0
O=C1CCCC2=Nc3ccccc3NC(c3ccncc3)C12,0,0,0,0
Cc1[nH]c2ccc(Br)cc2c(=O)c1CN1CCCCC1,0,0,0,0
COc1ccc(-c2onc(C)c2-c2ccc(C(=O)OC(C)C)o2)c(O)c1,0,0,0,0
CC1=C(C(=O)OC(C)(C)C)C(c2ccc(Br)cc2)NC(=O)N1CCCC(=O)O,0,0,0,0
COc1ccc(OC)c(C=NNC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)c1,1,0,0,0
COc1ccc2cc(Nc3nc(C(N)=O)c(NC(=O)C=C(C)C)s3)ccc2c1,0,0,0,0
Nc1ncnc(N2CCN(C(CN3CCCCC3)c3cccc(F)c3)CC2)c1-c1ccc(F)cc1,0,0,0,0
CC(C)(C)C(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
COc1cc(O)c(NC(C)=O)c2nonc12,0,0,0,0
COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CCN5CCN(C)CC5)cc4)sc23)c(Cl)cc1Cl,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CC4)cc3C#N)C2)cc1,0,0,0,0
COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F,0,0,0,0
CC1(C)C(C(=O)c2cn(CCN3CCCCCC3)c3ccccc23)C1(C)C,0,0,0,0
Cc1ccc(SCc2cc(=O)[nH]c(N3CCOCC3)n2)cc1,0,0,0,0
O=C(COc1ccccc1F)Nc1ccc2nc(SCC(=O)N3CCOCC3)sc2c1,1,1,0,0
CCOC(=O)CCCn1c(C(=O)C2CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)nc2ccccc21,0,0,0,0
COC1CCN(c2cnc3ccc(Sc4nnc5ccc(-c6cnn(C)c6)cn45)cc3c2)CC1,0,0,0,0
Cc1ccccc1-c1nn2c(=O)cc(CN3CCN(C(=O)COc4ccccc4Cl)CC3)nc2s1,1,0,0,0
O=C(Nc1nc(-c2cccs2)cs1)c1ccc(Cl)cc1,1,1,0,0
C[C@]12CCC3C(CCC4=CC(=O)CC[C@@]43C3CS3)C1CCC2=O,0,0,0,0
CNC(=O)c1ccc(-c2nccnc2C2CCN(c3ccc4ccc(F)cc4n3)CC2)cc1F,0,0,0,0
COCCNS(=O)(=O)NC(=O)CCCc1c(-c2ccc(F)cc2)[nH]c2ccc(C#N)cc12,0,0,0,0
CC(C)(Oc1cccc(CCCN(CCOc2ccccc2)c2nc3ccccc3o2)c1)C(=O)O,0,0,0,0
O=C(C(Cc1ccccc1)n1cccc1)N1CCN(C2CCCCC2)CC1,1,0,0,0
O=C1C(=Cc2ccco2)Oc2c1ccc(O)c2CN1CCCCC1,0,0,0,0
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1,0,0,1,0
O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1cccc([N+](=O)[O-])c1,1,1,0,0
N#Cc1ccc(C(c2ccc(C#N)cc2)c2cncnc2)cc1,0,0,0,0
C=C(C)CC1(CC)C(=O)NC(=S)NC1=O,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2cccs2)c1C,0,0,0,0
CCC(C)S(=O)(=O)c1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
Cc1ccccc1-n1ncc(Cl)c(Oc2ccc(CO)cc2)c1=O,0,0,0,0
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCCC5C4=O)cn3)nc2n1C1CCCC1,0,0,0,0
COc1cc(C(=O)O)ccc1Nc1ncc(C(F)(F)F)c(Oc2cccc3c2C(=O)CC3)n1,0,0,0,0
CN(C)Cc1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1,0,0,0,0
O=S(=O)(O)c1ccc(Nc2ncnc3c2ncn3C2OC(CO)C(O)C2O)cc1,0,0,0,0
COc1cc(C2NC(=O)NC(C)=C2C(C)=O)ccc1O,0,0,0,0
OCCCn1c(-c2ccccc2)n[nH]c1=S,0,0,0,0
Cc1nc(N2CCc3ccccc3C2)c2[nH]c(-c3ccccc3)cc2n1,0,0,0,0
Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCn4ccnc4C3)[nH]c12,0,0,0,0
Cc1nccc(CNS(=O)(=O)Cc2ccc3ccc4ncc(-c5cnn(C)c5)cc4c(=O)c3c2)n1,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3ccc(CN4C(=O)OCC4CO)nc3)n2)cnc1N1CC[C@H](F)C1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C4CC4)n3)C2)cc1,0,0,0,0
COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCc3nnc(-c4ccccc4)o3)c2C#N)cc1OC,1,0,0,0
CCOc1ccccc1-n1nnc(-c2nc(-c3ccccc3)no2)c1N,0,0,0,0
C=CCN1C(=O)C(CC(C)C)NC1=S,0,0,0,0
Cn1cccc1C(=O)OCc1csc(-c2ccccc2)n1,0,1,0,0
O=C(CCCCCN1C(=O)c2ccccc2C(F)c2ccccc21)NO,0,0,0,1
O=C1CC[C@H](C(=O)N2CCC(CNc3nc4c(s3)CCCc3ccc(F)cc3-4)CC2)O1,0,0,0,0
CCCCCNC(=O)c1ccc2c(=O)n(CCCOCC)c(=S)[nH]c2c1,0,0,0,0
O=[N+]([O-])c1nn(-c2ccccc2)[n+]([O-])c1N1CCN(c2ccccc2)CC1,0,0,0,0
CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(CCC)CC3)c(C)c2c1=O,0,0,0,0
COc1cccc(C(N)c2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCN(C)C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1C,0,0,0,0
CCN(CC)CCCNC(=O)c1oc2c(c1C)-c1nn(Cc3ccc(Cl)cc3)cc1CC2,0,0,0,0
CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCNCC1,0,0,1,0
O=S(=O)(NCCC1=CCCCC1)c1c(Cl)cccc1Cl,0,0,0,0
COC(=O)NN=Cc1ccc(OCCSc2ccc(Cl)cc2)c(OC)c1,0,0,0,0
COc1ccc(C2(O)OC(=O)C(c3ccc4c(c3)OCO4)=C2CC2CCCC2)cc1,0,0,0,0
Cc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccccn2)cc1,0,0,0,0
COc1ccc(-n2c(-c3cccc(F)c3)nc3c(cnn3-c3ccc(C)cc3)c2=O)cc1,0,0,0,0
CC(C)OC(=O)N1c2ccc(C(F)(F)F)cc2[C@@H](N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(CCN3CC3)n2)C[C@H]1C,0,0,0,0
Cc1cccc(-n2c(=O)c3ccccc3n(Cc3ccc(F)cc3)c2=O)c1,0,0,0,0
CCCOc1ccccc1C=NNC(=S)Nc1ccc(C)c(C)c1,0,0,0,0
CC[C@H](Nc1nc(NCc2cc(C)nc(C)c2)c2ncn(C(C)C)c2n1)[C@@H](C)O,0,0,0,0
CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1OC,0,0,0,0
CN(Cc1ccccc1)CC1CC1c1cccc2cc(C#N)ccc12,0,0,0,0
CSc1nnc2c3ccccc3c3ccccc3c2n1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)on1,0,0,0,0
Cc1cc2cc(C)c1CC(O)CC(=O)Nc1ccc(S(=O)(=O)C3CC3)c(c1)CN(C)C(=O)[C@H]2Nc1ccc2c(N)ncc(F)c2c1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@H]3[C@@H](CCCC3(F)F)[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)N1CCN(C(=S)Nc2ccc(F)c(Cl)c2)CC1,1,0,0,0
Cc1cc2cccc(C)c2nc1SCC(=O)N(C)c1nc(-c2ccccc2)cs1,1,0,0,0
COc1ccc(S(=O)(=O)Nc2cccc(-c3ccc(N4CCC(C)CC4)nn3)c2)cc1OC,0,1,0,0
COC(=O)CCC(=O)OC1(C)C(=O)C=C2C=C(C3CC3)N(Cc3ccc4c(c3)OCO4)C=C2C1=O,1,0,0,0
Clc1ccccc1-c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12,0,0,0,0
CC(=O)c1c(OCc2ccccc2)ccc2ccc(=O)oc12,0,0,0,0
Cn1c(-c2cc(Br)ccc2O)n[nH]c1=S,0,0,0,0
CC(C)c1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)nc2s1,0,0,0,0
CCCCn1c2ccccc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
COC(=O)c1cc(Cl)nc(Oc2ccc3c(c2)N(S(=O)(=O)c2ccc(Cl)cc2)CC3)c1,0,0,0,0
COc1ccc(-c2cc(Nc3nccc(C(F)(F)F)n3)cc(-c3cnc([C@]4(O)CC[C@@H](C(=O)O)C(C)(C)C4)s3)c2)cc1F,0,0,0,0
COc1ccc(F)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCOC(=O)C1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1,1,0,0,0
C=CC(=O)Nc1cc(CC)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
CN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
NC(=O)c1cc(S(=O)(=O)c2ccccc2)cc2c3c(oc12)CCNC3,0,0,0,0
O=C(CCN1C(=O)c2ccccc2C1=O)Nc1sc2c(c1C(=O)NCC1CCCO1)CCC2,1,0,0,0
CCc1nc(C)c2c(OC)nc3ccc(OC)nc3n12,0,0,0,0
C=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(C)CC5)cc4)nc32)c1,0,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)NC(C)C,0,0,0,0
COc1ccccc1Nc1ncnc2c1c(C)c(C)n2CCCN(C)C,0,0,0,0
CC(C)Nc1nnc(-c2ccc3[nH]cc(-c4ccc(C(N)=O)cn4)c3c2)o1,0,0,0,0
NC(=O)c1cnc(N[C@H]2CCCNC2)c2nc(-c3ccc(Cl)cc3)sc12,0,0,0,0
COc1ccc(CN2C=C3C(=O)C(C)(OC(=O)C4CCCC4)C(=O)C=C3C=C2c2ccsc2)cc1,0,0,0,0
Cc1cc(C)cc(Nc2c([N+](=O)[O-])nn(-c3cccc(Cl)c3)[n+]2[O-])c1,1,0,0,0
O=C(Nc1cccc(NC(=O)c2cccc(F)c2)n1)c1cccc(F)c1,0,1,0,0
c1ccc2c(CNC3CCCCC3)c[nH]c2c1,0,0,0,0
CC(=O)N1CCCn2nc(CN3CCOc4ccccc43)cc21,0,0,0,0
CC(C)Oc1ccc(S(=O)(=O)Cc2ccc3c(c2)CCNCC3)cn1,0,0,0,0
Oc1ccc2ccccc2c1C=Cc1ccc2c(Br)cc(Br)c(O)c2n1,1,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(COC)c(C=O)nc32)ncc1C#N,0,0,1,0
CCOC(=O)N1CCC[C@H]2[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@@H]3[C@@H](C)OC(=O)[C@@H]3C[C@@H]21,0,0,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,0,0,0,0
CCc1cc2cc(C(=O)Nc3ccc(F)cc3)sc2s1,1,0,0,0
Cc1ccc2oc(=O)c(-c3cccc(OCc4ccccc4)c3)cc2c1,0,0,0,0
CCOC(=O)Cn1cnc2sc3c(c2c1=O)CCC3,0,0,0,0
COc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc4cccnc34)CC2)cc1,1,0,0,0
CCC(CC)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
O=C1C2CCSN2C(=O)N1CCCCNCC1CCc2ccccc2O1,0,0,0,0
COc1ccc(-c2nnc3n2CCCCC3)cc1OC,0,0,0,0
O=C(O)C1CCC(CN(Cc2ccc(OCCN3C(=O)CCC3=O)c(F)c2)[C@H]2CCc3cc(Cl)ccc32)CC1,0,0,0,0
Nc1ccc(-c2cc(N)n(-c3ccccc3)n2)cc1,0,0,0,0
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccccc3F)C2=O)s1,0,0,0,0
Cn1c(O)c(C=NC2CCCCC2)c(=O)[nH]c1=S,0,0,0,0
C=C(C)C1CC2(CO)C(=CC1=O)CCC(O)C2C,0,0,0,0
COc1cc(Cl)c(C)cc1Nc1nc2ccccc2n2cnnc12,0,0,0,0
CN(C)CCN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1,0,0,0,0
COC(=O)C1=C(CSc2nnnn2C)NC(=O)NC1c1cc(C)ccc1C,0,0,0,0
CC(=O)C12CCCCC1CC1C3CC(C)C4=CC(=O)CCC4(C)C3CCC12C,0,0,0,0
Cc1nc(SC(C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)c2c(C)c(C)sc2n1,1,0,0,0
CCOC(=O)Cn1c(=O)c2c(nc3n2CCN3Cc2ccccc2)n(C)c1=O,1,0,0,0
Cn1nc2c(c1Cc1ccccc1C(F)(F)F)C[C@H](N)C(=O)N2O,0,0,0,0
O=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(O)c1ccc2c(c1)OCCO2,0,0,0,0
COc1ccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)cc1,0,0,0,0
CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc21,1,0,0,0
O=C1NC(c2ccc(OCCCC(F)(F)F)cc2)(C(F)(F)F)CC(c2ccc3c(c2)OCO3)=C1c1nn[nH]n1,0,0,0,0
O=C1COc2ccc(C3(O)c4ccccc4C(=O)N3Cc3cccc(Br)c3)cc2N1,0,0,0,0
Cc1cccc(CC(=O)Nc2ccc3nc(N4CCC(C)CC4)cc(C)c3c2)c1,1,0,0,0
COc1cccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,0,0,0,0
Cc1nc(Oc2ccc(C(=O)O)cc2)ccc1CN1CCC(N2C(=O)N(C3CCOCC3)C[C@H]2c2cccc(F)c2)CC1,0,0,0,0
Cc1cc(S(=O)(=O)/N=C(/N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl,0,0,0,0
Cc1ccc(OCCC(=O)OCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2C)cc1,0,1,0,0
COc1cc(OCc2csc(N3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,1,0,0,0
O=C(N[C@H]1CCN(Cc2ccc(OC3CCNCC3)c(Br)c2)C1)c1ccc(Cl)c(Cl)c1,0,0,0,1
O=C(c1cccnc1)N1CCN(c2ccc3ccccc3n2)CC1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1COC1,0,0,0,0
CCN(CC)CC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
CC(=O)c1cccc2c1N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2,0,0,0,0
CC(=O)Nc1nc(C)c(C(C)C)s1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3cccc(-c4cccnc4)c32)cc1,0,0,0,0
Clc1cc(Cl)c2c(c1)Oc1cc(Cl)c(Cl)cc1O2,0,0,0,0
CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cn1)OC31CCCC1)[C@@H](O)CC(C)(C)C2,0,0,0,0
CCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CNC(=O)C1=C(C)NC(=S)NC1c1cccs1,0,0,0,0
N#C[C@@H]1CCN(C(=O)OCCF)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
Cc1cnc(-c2cc(N3CCC(CS(N)(=O)=O)CC3)ncc2Cl)c(C)c1,0,0,0,0
COc1ccc(Cn2cnc3c4cc(F)ccc4n(C)c3c2=O)cc1,0,0,0,0
CCC(c1nnc(SCC(=O)N2CC(=O)Nc3ccccc32)n1Cc1ccccc1)N(C)C,0,0,0,0
CC(=O)N1CCC(CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)CC1,0,0,0,0
Cc1ccc2c(c1)C1CN(C)CCC1N2C(=O)c1cccs1,0,0,0,0
CSCCCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
Cc1nnc(N2C(=O)C(O)=C(C(=O)c3ccco3)C2c2ccc(C(C)C)cc2)s1,1,0,0,0
CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1cccs1,1,1,0,0
CC(=O)Nc1cc(Cl)cc2cc(C(=O)N3CCN(Cc4ccc(F)cc4)C[C@H]3C)oc12,0,0,0,0
Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2O)cc1,0,0,0,0
CNC(=O)[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,0,0,0,0
O=C(O)c1cccc(N2C(=O)c3cccnc3C2=O)c1,0,0,0,0
O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC2(CC1)CN(Cc1ccncc1)C2,1,0,0,0
O=c1c(-c2cc(F)cc(F)c2)nc2cnc(N3CCOCC3)nc2n1CC1CCCO1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(NS(=O)(=O)C(C)C)c2)c1,0,0,0,0
CC(C)c1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(N(CC)CC)cc1,0,0,0,0
Cc1ccc2nc(/C(C#N)=C\c3ccc(Oc4ccc(C(F)(F)F)cc4[N+](=O)[O-])cc3)[nH]c2c1,1,0,0,0
O=C(Nc1ccc2c(c1)OCO2)NC1CCN(Cc2ccccc2)CC1,0,1,0,0
CN1CCN(c2ccc([N+](=O)[O-])c3no[n+](O)c23)CC1,0,0,1,0
CC(=O)c1ccc(NC(=O)C2CCC(C)NC2=O)cc1,0,0,0,0
CCCCCCCC/C=C/CCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
CC1(C)C(N)=N[C@]2(c3cc(NC(=O)C(F)F)ccc3F)COC[C@@H]2S1(=O)=O,0,0,0,0
Cc1ncc(-c2ccc(C)c(-c3ccc4c(c3)NC(=O)C43CCOCC3)c2)[nH]1,0,0,0,0
CC(C)(C)c1ccc2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(F)cn5)n4)c3CO)ncc2c1,0,0,0,0
N#Cc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1,0,0,0,0
O=C(Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sc3ccccc3c21)NC1CCCCC1,1,0,0,0
O=C(c1cc(Br)ccc1Cl)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
CN(C)/C=C(\C=O)c1onc(-c2ccccc2Cl)c1C#N,0,0,0,0
CCCCc1ccc(S(=O)(=O)NNC(=S)NCc2ccco2)cc1,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2O)cc1,0,0,0,0
COCCn1c(C)cc(O)c(C(c2ccc(F)cc2)N2CCC(C)CC2)c1=O,0,0,0,0
CC(C)(C)c1ccc(O)c(CN(Cc2cc(C(C)(C)C)ccc2O)c2ccccc2)c1,0,0,0,0
CCN1/C(=C2\C(=O)N(C)C(=S)N2C)C=Cc2ccccc21,0,0,0,0
CS(=O)(=O)c1ccc2c(c1)NC(=O)C2,0,0,1,0
CC(=O)c1ccc(-c2nnc(CCC(=O)N3CCCC(C(=O)CC(C)C)C3)o2)s1,1,1,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1CSc1ccccn1,1,0,0,0
O=C1CN(C(=O)c2ccc(Br)o2)C(c2ccccc2)c2cc(F)ccc2N1,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(-c2ccc(F)cc2)c1,0,0,0,0
CC(C)(CCCCCc1sc(-c2ccccc2)cc1CCCc1ccccc1)C(=O)O,0,0,0,0
CCc1ccccc1NC(=O)c1cnc(N2CCCCC2)c2ccccc12,1,0,0,0
CCOC(=O)c1c[nH]c2nc(NCc3cccc(Br)c3)nn2c1=O,0,0,0,0
NCC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2CC(O)CN2CCCCC2)C1,0,0,0,0
CCOc1cc(-c2ccccc2)cc(C(Nc2ccc(C(=N)N)cc2)C(=O)O)c1,0,0,0,0
CC(C)Cn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0,0,0
Cc1cccc2c1C1(CCN(CC3CCCCCCC3)CC1)C(=O)N2C,0,0,0,0
CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2)n2ncc(C(=O)Nc3ccccc3)c2N1,1,0,0,0
NC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1,0,0,0,0
O=c1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)cc[nH]1,0,0,0,0
Cc1c(C(C)C)c(=O)n(-c2ccc(S(=O)(=O)NC3CCCCC3)cc2)n1C,0,0,0,0
O=C(c1cnccc1C(F)(F)F)N1CCCC(Oc2ccc(C(F)(F)F)cc2)(C(=O)N2CCN(c3ccccc3O)CC2)C1,0,0,0,0
CC1(C)CCc2cc(S(=O)(=O)N(CC(=O)O)Cc3cccc(-c4cc(Cl)cc(Cl)c4)c3)ccc2O1,0,0,0,0
CCN(CC)CCCNc1ncnc2ccccc12,0,0,0,0
O=C(CSC1=NNC(=Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)N1CCCCC1,1,0,0,0
CC(O)CC(C)CNCc1nc(C2CCCCC2)ccc1F,0,0,0,0
CCCCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)N(CC)C1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
Cc1ccc2nc(-c3ccc(NC(=O)c4ccco4)cc3)[nH]c2c1,0,1,0,0
Cc1ccc(-n2c(C)cc(C(=O)CN3CCOCC3)c2C)cc1C,1,0,0,0
COc1ccccc1CCNC(=O)C(=O)NCC1OCCCN1S(=O)(=O)c1cc(C)ccc1C,1,0,0,0
COc1ccc(C2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c(OC)c1,0,0,0,0
CC(C)(O)C#Cc1ccc(CN2CCN(Cc3ccccc3)C(CCO)C2)cc1,1,0,0,0
N[C@@H]1CONC1=O,0,0,0,0
Cc1ccnc(-n2c(C)cc(/C=C3\C(=O)NC(=S)N(C)C3=O)c2C)c1,0,1,0,0
CCCCN1CC(=O)N2[C@H](c3ccc(Cl)cc3Cl)c3[nH]c4ccccc4c3C[C@@H]2C1=O,0,0,0,0
Cc1cnccc1CN(C)Cc1cn(C)nc1-c1ccc(Oc2ccccc2)cc1,1,0,0,0
CN1C(=O)C[S+]([O-])c2ccc(C(=O)NCCC3=CCCCC3)cc21,0,0,0,0
CCN(CC)c1nc(=S)nc(NC(C)(C)C)[nH]1,0,0,0,0
CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(-c4ccccc4)cc3)c12,0,0,0,0
CC[C@@H](Cc1nc(C)cs1)C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCC(C)C)C(C)C,0,0,0,0
O=C1OCCC1Sc1nnc(-c2cccnc2)n1-c1ccccc1F,0,0,0,0
CC(=O)c1ccc(NC(=O)C2CCCNC2=O)cc1,0,0,0,0
O=C(OCC(F)(F)F)C1CC2(COCc3ccccc3)C(=O)N(CCC3=CCCCC3)CC(=O)N2C1c1ccco1,0,0,0,0
C=CC(=O)N1CCC([C@H]2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5CC5)c(OC)c4)nn32)CC1,0,0,1,0
CCOC(=O)C(C)Sc1nc(=O)n2cccc(C)c2n1,0,0,0,0
CNC(=S)NNC(=O)c1cccn(Cc2ccccc2)c1=O,0,0,0,0
CCCN(Cc1ccccc1)c1cc(C)nc2c(-c3ccc(Cl)cc3Cl)cccc12,0,0,0,0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCCN)C(=O)O)cc1,0,0,0,0
COc1cc(C)c(S(=O)(=O)NC[C@@H](O)[C@H](Cc2ccccc2)NCc2cccc(Cl)c2)c(C)c1C,0,0,0,0
Clc1ccccc1CN1CCC(Nc2ccc3[nH]ncc3c2)CC1,0,0,0,0
COC(=O)CCSc1ccc([N+](=O)[O-])c2nonc12,0,0,0,0
Cc1cc(C2CCN(C(=O)N[C@@H]3CC[C@@H](c4cccc(F)c4F)CN(CC(F)(F)F)C3=O)CC2)c(=O)[nH]n1,0,0,0,0
CCCCn1cnc2c([nH]c3cc(OC)ccc32)c1=O,0,0,0,0
C/C(=N\Nc1nc(-c2cc(C)ccc2C)cs1)c1cc2c(ccc3ccccc32)oc1=O,1,0,0,0
C/C(=N/NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1ccc(Cl)cc1,1,0,0,0
Cc1ccccc1NC(=O)c1ccc2[nH]c(C)c(C)c2c1,0,1,0,0
CC(=O)/C(C(=N)N1CCN(Cc2ccccc2)CC1)=C(\C)O,0,0,0,0
CC1=NNC2=NC3=C(C(=O)CC(C)(C)C3)C(c3ccccc3)C12,0,0,0,0
O=C1CN(C(=O)COC(=O)c2cccc(Br)c2)c2ccccc2N1,0,0,0,0
CCOC(=O)Nc1ccc(-c2nc(-c3c(C)n(Cc4c(F)cccc4F)c(=O)n(C[C@H](N)c4ccccc4)c3=O)cs2)cc1,0,0,0,0
O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1Cl,0,0,0,0
CC(C)c1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1,0,0,0,0
Cc1ccc(-c2cc3nc4c(c(=O)n3[nH]2)CCCC4)cc1,0,1,0,0
COc1cc(-c2nc3cnccn3c2Nc2ccccc2)ccc1O,0,0,0,0
N[C@H](CCc1nn[nH]n1)C(=O)O,0,0,0,1
CC(=O)NC1CC(CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,0,0,0,0
CC(C)c1ccc(NC(=O)C(c2ccccc2)N2CCN(C(=O)c3ccco3)CC2)cc1,1,0,0,0
CC(C)CCNC(=O)CN1N=C(c2ccc(Cl)cc2)CCC1=O,0,0,0,0
CC(C)(C)OC(=O)n1c(-c2ccc(CCC(N)=O)cc2)cc2ccccc21,0,0,0,0
Nc1nc2[nH]cc(Cc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1,0,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)ccc1N,0,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCCN(C(=O)OC(C)(C)C)CC6)cc5c4)n3c2)cn1,0,0,0,0
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2cccc(OC(F)(F)F)c2)o1,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2cccc(N3C(=O)NC4CC3(C)Oc3ccccc34)c2)CC1,1,0,0,0
CCOC(=O)c1ccc(OCCN2CC(O)C(O)C(O)C2CO)cc1,0,0,0,0
CCCCN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1,0,0,0,0
Cc1cc([C@H](Nc2ccc(C)c(CN3CC[C@@H](C(=O)O)C3)c2C)C(F)(F)F)ccc1Cl,0,0,0,0
O=C(c1ccccc1)N(Cc1ccccc1)c1ccccn1,0,0,0,0
COc1ccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)cc1,0,0,0,1
O=C(O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(c3ncc(Cc4ccccc4)s3)CC2)[C@@H](c2ccccc2)C1,0,0,0,0
O=C(O)C1(Sc2ccnc3cc(Br)ccc23)CCC1,0,0,0,0
CC(C)CNC(=O)c1ccc(-c2ccc(Cc3cccs3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1,0,0,0,1
CC1(C)CC(=O)C(C=NCCN2CCN(CCc3ccccc3)CC2)=C(O)C1,0,0,0,0
CCOC(=O)CN1C(=O)NC(c2ccc(Br)cc2)C(C(=O)OC)=C1C,0,0,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
O=C(Oc1ccccc1)N1CCC2(CC1)CN(Cc1ccncc1)C2,1,0,0,0
CCCCCCCC[C@@H]1C(=O)N[C@H](CO)C[C@]2(C)CC(CCCC)(CCCC)CC[C@@H]12,0,0,0,0
O=C(O)[C@]1(NS(=O)(=O)c2ccc(-n3cc(Cl)cn3)s2)C[C@@H]1c1ccccc1,0,0,0,0
CC(C)Oc1ccccc1OCC1=NCCN1,0,0,0,0
O=C(O)C1CCN(c2nc(NCc3ccc4c(c3)OCO4)c3cc(Cl)ccc3n2)CC1,0,0,0,0
CN1/C(=C/C(=O)C2CCC2)Sc2ccccc21,0,1,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2C(=O)CCC(=O)O)cc1,1,0,0,0
CC#CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)c2c1,0,0,1,0
CN1C(=O)[C@@](c2ccc(OC(F)F)cc2)(c2cccc(/C(F)=C/C3CC3)c2)N=C1N,0,0,0,0
CCOC(=O)C1(C)CCN1C(=O)c1oc2ccccc2c1C,0,0,0,0
CC1=C(C(=O)OC(C)C)C(c2c(O)ccc3ccccc23)NC(=O)N1,0,0,0,0
CCOc1c(OC)cccc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0,0,0
CC(=O)Nc1sc(NC(=O)c2ccc(C)cc2)nc1-c1cccs1,1,0,0,0
Oc1c(Br)cc(Br)cc1C=Nc1ccc2c(c1)OCO2,1,0,0,0
Cn1cc(-c2cc(NS(=O)(=O)CC(F)(F)F)ccc2OC2CCOCC2)c2cc[nH]c2c1=O,0,0,0,0
O=c1c(N2CC3CNCC3C2)nc2ccccc2n1C1CCN(C2CCCCCCC2)CC1,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)cc3)cn2CCN2CCC3(COC3)C2)CC1,0,0,0,0
O=c1cc(CN2CCOCC2)c2cc(O)c(O)cc2o1,0,0,0,0
CS(=O)(=O)N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)cc3F)cncc21,0,0,0,0
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1,0,1,0,0
O=C(COC(=O)c1ccncc1)c1ccccc1,0,1,0,0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4c(-c5cn[nH]c5)cnc(N)c34)cc2)c1,0,0,0,1
CCCCN1C(=O)Nc2ccccc2S1(=O)=O,0,0,0,0
COc1cc(O)cc2c1C(=O)OC(C)C2,0,0,0,0
CCC(=O)N1COC[C@@H]1Cc1ccccc1,0,0,0,0
Cn1nnc2ccc([C@H](c3ccc(Cl)cc3)n3cncn3)cc21,0,0,0,0
O=C1CCCCN1Cc1ccc(-c2ccc(CN3CCCCC3)cc2)cc1,0,0,0,0
COc1cc(-c2ccc3ncc(C#N)c(NC4CCC(N(C)C)CC4)c3c2)cc(Cl)c1O,0,0,0,0
COc1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1,0,0,0,0
Cc1ncccc1-c1nc2cc(F)ccc2c(N2CC3(CCOCC3)c3ccc(N4CCOCC4)cc32)c1C,0,0,0,0
CC(C)(C)C1CCc2sc(C(=O)NNC(=O)CCl)cc2C1,0,1,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCCN(O)C1,0,0,0,0
Cc1[nH]n(-c2ccc(Br)cc2)c(=O)c1/C=N/NC(=O)c1ccccc1,0,1,0,0
O=C(NC(c1ccccc1)c1ccccc1)C1CCCN(S(=O)(=O)c2c[nH]cn2)C1,1,0,0,0
COc1c(C)c2c(c(O)c1CCOP(=O)(O)CCP(=O)(O)OCCc1c(O)c3c(c(C)c1OC)COC3=O)C(=O)OC2,0,0,0,0
COCCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1,0,0,0,0
CCCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3C)c(C)n2n1,0,0,0,0
COc1ccc(NC(=O)c2onc(C)c2Cl)cc1,0,1,0,0
O=[N+]([O-])c1ccc(OCCCCCN2CCCC2)cc1,0,0,0,0
CCCc1ccc(-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)cc1,0,0,0,0
CCN1N=C(c2ccccc2)CCC1=O,0,0,0,0
COc1cc(C(Cc2ccccc2)NC(C)=O)oc(=O)c1,0,0,0,1
O=C(O)c1cccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1,0,0,0,0
CCC(=O)N1CCN=C1SCc1c(F)cccc1Cl,0,0,0,0
CC(C)(C)CN1CCN(CC#Cc2ccccc2)CC1CCO,1,0,0,0
C=CCn1nc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)c1C(F)(F)F,0,0,0,0
CC(C)CS(=O)(=O)NC1CCN(CCOc2ccccc2-c2ccccc2)CC1,0,0,0,0
C[C@H](Nc1nccc(N2C(=O)OC[C@@H]2[C@@H](C)O)n1)c1ccc(-c2cnn(C)c2)cc1F,0,0,0,0
Cc1cc(NC(=O)Nc2ccc(N(C)C)cc2)c2cc(F)cc(F)c2n1,1,0,0,0
Cc1csc(SCC(=O)NC(=O)NC(C)C)n1,0,0,0,0
CC(=O)Nc1cc2ccc(OCc3cccc(Cl)c3)cc2oc1=O,0,0,0,0
COC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C,0,0,0,0
COc1ccc(N2CCN(C(=O)c3sc4nc(-c5ccc(F)cc5)cn4c3C)CC2)cc1,0,0,0,0
CCC1(CC)C(=O)N(c2ccc(CSc3nc4ccccc4s3)cc2)C1=O,0,0,0,0
Cc1nnc(-c2cccc(-c3cnn4ccc(NCCN)nc34)c2)o1,0,0,0,1
Nc1nn(-c2ccccc2)nc1C(=O)OCc1ccc(Cl)cc1,0,0,0,0
CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
CNC(=O)c1cc2c(s1)CCCCCC2,0,1,0,0
Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)N(Cc2ccccc2)C(C)(C)C)c(C)n1C,1,0,0,0
Nc1cncc(Nc2ccc(Oc3ccc(Cl)cc3)cc2)n1,0,0,0,0
CCCCOc1ccc(C2(C)CC(=O)NC2=O)cc1,0,0,0,0
CC(C)C(=O)NNC(=O)C1CC1(c1ccccc1)c1ccccc1,0,0,0,0
Cc1c(Cl)ccc2c1NC(=O)C21NC(CCC(N)=O)[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]21,0,0,0,0
CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)c1c(-c2ccccc2)noc1C,1,0,0,0
Nc1[nH]nc2ncc(-c3ccccc3)cc12,0,0,0,0
Clc1ccc(CO/N=C(\Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,0,0,0,0
O=c1c2cn[nH]c2[nH]c(=S)n1-c1cccc(Cl)c1,0,0,0,0
CN(C)c1nc2n(c(=O)n1)CCS2,0,0,0,0
CC(C)c1cc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Br)n[nH]1,0,0,0,0
CCn1cc(C(=O)NCCOC)c(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc21,0,0,0,0
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(OP(C)(C)=O)C(OC)C2)CC(=O)C(C)C=C(C)C(O)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C,0,0,0,0
Cc1nc(N)sc1C(=O)OCC(C)C,0,0,0,0
COc1cccc(-c2nc(NC(C)C)c3ccccc3n2)c1O,0,0,0,0
Cc1cc(NC(=O)C2CCCCC2)ccc1NC(=O)c1ccccc1Cl,1,0,0,0
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(Cl)ccc1[N+](=O)[O-],0,0,0,0
OCc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
COc1ccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c(OC)c1,0,0,0,0
O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(c3ccccc3)CC2)C(=O)c2ccccc21,1,0,0,0
O=C(NCc1ccco1)c1sc2cccc(F)c2c1Cl,1,0,0,0
CC1(C)CC(=O)C(=CNCCCn2ccnc2)C(=O)C1,0,0,0,0
CC(=O)Nc1ccc(/C=N/NC(=O)c2cc(-c3ccco3)nc3ccccc23)cc1,0,1,0,0
CC(C)OC(=O)/C=C\n1cnc(-c2csc(Cl)n2)n1,0,0,0,0
CCn1c(-c2cc(OC)ccc2OC)csc1=Nc1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
COc1ccc(Nc2ncc(F)c(Oc3cccc4c3C(=O)CC4)n2)cc1,0,0,0,0
N#Cc1ccsc1NC(=O)COc1ccc(-c2nnco2)cc1,1,1,0,0
COC(=O)c1c(NC(=O)c2nc3ccccc3s2)sc2c1CCN(C(C)=O)C2,1,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(Cl)c1Cl)C(F)(F)F,0,0,0,0
CC12CCC3c4ccc(O)cc4CCC3C1CCC2OC1OC(C(=O)O)C(O)C(O)C1O,0,0,0,0
O=c1[nH]c2cc3c(cc2cc1CN(CCO)S(=O)(=O)c1ccccc1)OCCO3,0,0,0,0
Cc1c(C(=O)NCC#CCN(C)C)sc2ncnc(Nc3cccnc3OC(C)C(F)(F)F)c12,0,0,0,0
Cc1cccc(C)c1Nc1ncc(-c2ccc(OCCN3CCCC3)cc2)n2cncc12,0,0,0,0
O=C(c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)N1CCCc2ccccc21,1,0,0,0
NC/C=C(/F)COc1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
COc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCCF,0,0,0,0
Cc1cccc2c1C(O)c1cc(C(=O)NC(=N)N)ccc1-2,0,0,0,0
CN(C)C=Cc1onc(-c2c(F)cccc2Cl)c1C#N,0,0,0,0
CNc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCCC[C@@]1(CC)CS(=O)(=O)c2cc(CN3CCCC3=O)c(OC)cc2[C@H](c2ccccc2)N1,0,0,0,0
FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cncn3)nc12)C1CCCCN1,0,0,0,0
COc1ccc2c(c1)[nH]c(=O)c1sc3ccccc3c12,1,0,0,0
CN(CCCCCCC(=O)NO)C(=O)c1ccc(C(O)(c2ccccc2)c2ccncc2)cc1,0,0,0,0
CCN1C(=O)NC(=O)/C(=C\NCc2cccs2)C1=O,0,0,0,0
N[C@H]1C[C@@H](N2Cc3nn4ccc(C(F)(F)F)nc4c3C2)CC[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
O=C1NCCCC2c3c(cc(Br)c(O)c3Br)OC12N1CCOCC1,0,0,0,0
CN(C)c1ccc(-c2nc3ncnc(N)c3cc2Cc2ccccc2)cc1,0,0,0,0
CCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)C(C)C)c2O1,0,0,0,0
Cn1c(OCCc2ccccc2)nc(-c2ccncc2)cc1=O,0,0,0,0
COc1cc2c(cc1OC)C(CC(c1ccccc1)c1ccccc1)N(C(C)=O)CC2,0,0,0,0
CCCCCCCNC(=O)Oc1ccc2nc(-c3ccccc3)ncc2c1,0,0,1,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(Cl)c3)c12,0,0,0,0
Cc1cc(-c2ccc(-c3cccc(O)c3)cc2)ccc1O,0,0,0,0
CCCCCCN(CCCCCC)C(=O)C(=O)c1c(-c2ccccc2)[nH]c2ccc(N=C=S)cc12,0,0,1,0
Cc1ccc(CNC(=O)C(=O)NCC(c2cccnc2)N2CCN(c3ccccc3F)CC2)cc1,1,0,0,0
Cc1cc(=O)n2nc(-c3ccccc3)sc2n1,0,0,0,0
COc1ccc(CNc2ccc(C(=O)O)cc2)cc1,0,1,0,0
O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C1/C(c2ccccc2)=Nc2ccccc21,0,0,0,0
COc1ccccc1/C=C/C(=O)NC(=S)N1CCOCC1,0,1,0,0
CC1=C(O)/C(=C/[C@H](C)CCC/C(C)=C/CCc2coc(Cc3ccoc3)c2)OC1=O,0,0,0,0
COc1ccc(CN(C2CCCC2)S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC,0,0,0,0
Cc1ccc2cc3c(nc2c1)N(Cc1ccco1)CC3,0,1,0,0
CC(C)Cc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)C3CCCCC3)nc2s1,0,0,0,0
Oc1nc(-c2ccc(F)cc2)sc1-c1ccccc1,0,0,0,0
COc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1OC(C)C,0,0,0,0
CN(C)C(=O)c1cc(CN2CCOc3ccccc32)c2oc(N3CCOCC3)cc(=O)c2c1,0,0,0,0
CCn1c(=O)c([N+](=O)[O-])c(NCC2CCCO2)c2ccccc21,0,0,0,0
Oc1ccc2ccccc2c1C=NCc1ccccc1,0,1,0,0
CCS(=O)(=O)c1ccccc1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,0,0,0,0
C=C(Br)CC1(C(C)C)C(=O)NC(=O)NC1=O,0,0,0,0
O=c1/c(=C/c2cccc3ccccc23)sc2ncnn12,0,0,0,0
CCOc1ccc(-n2c(O)c(/C=N/Nc3nnc(C)c(=O)[nH]3)c3ccccc3c2=O)cc1,0,0,0,0
Cn1c(C(=O)OC(C(=O)NC2CCCC2)c2cccnc2)cc2sccc21,0,0,0,0
COc1cccc(NC(=O)c2ccc3nc(CCc4ccccc4)oc3c2)c1,0,1,0,0
Cn1c(SCc2ccccc2[N+](=O)[O-])nnc1-c1cccnc1,0,0,0,0
CN1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1,0,0,0,0
Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccccc5)cc4)c13)NC2=O,0,0,0,0
Cc1nc(N2CCCCC2)c2ccsc2n1,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(OCC(=O)NC(C)(C)C)CC2)ncc1Cl,0,0,0,0
Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1,1,1,0,0
Cc1cccc(C)c1NC1=NN=C(c2ccccc2F)CS1,1,0,0,0
CCNC(=O)c1nc(NCc2cccnc2)nc2ccsc12,0,0,0,0
Cc1ccc(NC(=S)Nc2cccc3ccccc23)cc1,0,0,0,0
COc1ccccc1N1CCN(C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)CC1,1,0,0,0
CCc1ccccc1Nc1nc2ccccc2n2cnnc12,0,0,0,0
O[C@H]1[C@@H](O)C[C@@]2(n3cnc4c(NC5CC5)nc(Cl)nc43)C[C@@H]12,0,0,0,0
COc1ccc(CNc2ncc(-c3ccccc3)n2C)cc1,0,0,0,0
O=C1c2c(cc(Cl)cc2C(F)(F)F)[C@@H]2CNCCN12,0,0,0,0
COCCn1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0,0,0
CCOc1ccc(N2C(=O)C(=Cc3cccs3)C(=O)NC2=S)cc1,0,0,0,0
Nc1ncnc2c1sc1cc(-c3ccccc3Cl)ccc12,0,0,0,0
CC(C)Oc1ccc(C2CC(=O)N(c3cccc(C(=O)O)c3)C2=O)cc1,0,1,0,0
COC(=O)c1onc(-c2c(C)cc(C)cc2C)c1C(=O)OC,0,0,0,0
COc1ccc(CCN2C(=O)C(=Cc3ccco3)SC2=S)cc1OC,0,0,0,0
COc1ccccc1CN(Cc1ccccc1)c1cccc(NS(C)(=O)=O)c1C,0,0,0,0
CC1C(c2cccs2)=[N+](O)C(C)(C(=O)c2cccs2)N1O,0,0,0,0
N#Cc1cncc(-c2ccc3c(c2)OCCOCCOCCOCCOCCO3)n1,0,0,0,0
O=C1CCC(C2CCCCC2)CC1,0,0,0,0
Nc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
COc1ccccc1CN1CC2CC(c3ccccc3C)N3CCCC23C1=O,0,0,0,0
Cc1ccn2nc([C@H](C)Nc3ncnc4[nH]cc(Cc5cccc(O)c5)c34)n(-c3ccccc3)c(=O)c12,0,0,0,0
O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,0,0,0,0
CCOc1ccc(OCC)c(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)c1,1,0,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2C2CCCCC2)cc1,0,0,0,0
CN(CC(=O)O)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CCOC(=O)C1CCN(C(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)CC1,1,0,0,0
COc1cc(Oc2nccc(C)n2)ccc1-c1cc2c(cc1F)ncc1ncn(C3(C)CCN(C(=O)C(C)O)CC3)c12,0,0,0,0
Nc1ccccc1NC=C1C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,0,0,0,0
Cc1ccsc1-c1c2c(nn1C)CCc1cnc(Nc3cnn(C)c3)nc1-2,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCC(O)C(F)F)ncc23)ccn1,0,0,0,0
Cc1cc(Nc2cccc(F)c2)n2nc(C)nc2n1,0,0,0,0
CN(C)CC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
COc1ccc(OC2CCN(c3nc4cnncc4nc3NC3CC3)CC2)c(F)c1,0,0,0,0
O=C1Cn2c(nc3ccccc32)N1c1ccccc1F,0,0,0,0
CC(C)(C)NC(=O)N1CCn2c(Br)c(-c3cccc(F)c3)c(C(N)=O)c2C1,0,0,0,0
CCCN(CC1CC1)c1cc(Nc2cc(Cl)c(Cl)cc2Cl)nc(C)n1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccccc2)c2ccc(Cl)cc2)CC1,1,0,0,0
Cc1cc(-c2nnc(-c3sc(C)c4c3C[C@@H]3[C@H]4C3(C)C)o2)cc(C)c1OCC(O)CO,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(C(C)(O)C3CCC(C(=O)O)C3)s2)c1,0,0,0,0
Oc1ccc2c(c1)sc1c3ccccc3n(Cc3ccc(OCCN4CCCCC4)cc3)c21,0,0,0,0
CC1(C)[C@@H]2CC=C(COc3ccc4c5c(c(=O)oc4c3)CCCC5)[C@H]1C2,0,0,0,0
CCc1nc(-c2cccc(C)n2)c2sccc2n1,0,0,0,0
COC(=O)c1cccc(C(=O)N2CCCC(C(=O)c3cccc(OC(C)C)c3)C2)c1,1,0,0,0
CNc1nc(C)c2cc(-c3cccc(CO)c3)c(=O)n(C3CCCC3)c2n1,0,0,0,0
CCCCCCN(C(=O)CCCCCN1C(=O)NC(c2ccc(C(F)(F)F)cc2)C(C(=O)OCc2ccccc2)=C1C)C(C(=O)NCCCC)c1ccc(OCC(=O)OC)c(C(=O)OC)c1,1,0,0,0
COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1Cl,0,0,0,0
COc1cc(OCc2csc(C3(c4ccc(Cl)cc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
COc1ccc(C2NC(=O)C(C#N)C(=S)N2c2ccc(C)cc2)cc1OC,0,0,0,0
O=C(c1ccc(Cl)cc1Cl)N1CCn2c(nnc2-c2ccc(F)cc2)C1,0,0,0,0
Cc1nc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)cn1C,0,0,0,0
O=P(O)(O)C(Nc1cncc(-c2ccc(OC3CC3)cc2)c1)P(=O)(O)O,0,0,0,0
Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N3CCC(CO)CC3)cc2F)cn1,0,0,0,0
O=C1NN=C(c2ccc3nc(-c4ccc(F)cc4)oc3c2)C2CC12,0,0,0,0
CC1=C([N+](=O)[O-])C(c2ccc(O)c(O)c2)NC(=O)N1,0,0,0,0
CC[C@@H](Nc1ccc(C)c(CNC[C@@H](C)C(=O)O)c1)c1cc(C)c(Cl)c(C)c1,0,0,0,0
O=S(=O)(c1cccc(F)c1)c1ccc2c(c1)CCNCC2,0,0,0,0
CC1CSC(N(C(=O)c2ccc(S(C)(=O)=O)cc2)c2ccc(Cl)cc2)=N1,0,0,0,0
NNC(=O)c1cccn(Cc2ccc(Cl)cc2Cl)c1=O,0,0,0,0
O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCCc1ccc(F)cc1,1,0,0,0
O=C1C2=C(C(=O)c3ccccc31)S(=O)(=O)CCN2,0,0,0,0
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3cn2N2CCOCC2)cc1,0,0,0,0
CONC(=O)Nc1ccc(-c2sc3c(c2CN(C)CCn2ccnn2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
CN(C)CCc1cccc2c1cc(C(=O)c1ccccc1)n2S(=O)(=O)c1ccccc1,0,0,0,1
COc1cccc(C(CC(=O)O)NS(=O)(=O)c2ccc3c(c2)N(C(C)=O)CC(C)O3)c1,0,0,0,0
Cn1cc(-c2cc(C(=O)NCCCCO)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1cc(N(CCO)Cc2ccccc2)n2nc(-c3ccc(C(C)(C)C)cc3)nc2n1,1,0,0,0
Cc1csc(NC(=O)c2ccccc2)n1,0,1,0,0
CN(C)CC1CCC(Nc2c(S(C)(=O)=O)cnc3ccc(-c4ccc(O)c(Cl)c4)cc23)CC1,0,0,0,0
CC1CC(=O)NN=C1c1ccc2nc(-c3cccc(O)c3)oc2c1,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(C3CC3)cnc3ccccc23)c2ccccc2N(C(=O)c2ccc(C(C)=O)cc2)[C@H]1C,0,0,0,0
CCOC(=O)CSc1nc2cc(C(F)(F)F)cnc2n1C,0,0,0,0
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)O)ccc2c(C(F)(F)F)noc12,0,0,0,0
CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0,0,0
CN1C=C[C-]2C=C[O+](CN3CCCC4(CC3)CN(c3ccc(C(=O)O)cc3)C(=O)O4)C=C21,0,0,0,0
COc1cc(/C=N/N=C2/SCC(=O)N2c2ccc(O)cc2)ccc1O,0,0,0,0
COc1cc(OC)cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)c1,0,0,0,0
COc1ccc(/C=N/Nc2nnc(Cc3ccccc3)c(=O)[nH]2)cc1OC,0,1,0,0
CC1CCN(C(=O)CSc2nc3ccccc3[nH]2)CC1,0,1,0,0
O=C(Nc1ccc(Cl)cn1)Nc1ccccc1Cl,1,0,0,0
CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1,0,1,0,0
COc1cccc2cc(C(=O)OC3CCN(C)CC3)c(=O)oc12,0,0,0,0
COc1cc(F)c(-c2ccc(C(=O)O)cc2C)cc1-c1cnc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
Cc1ccc(-c2nc(-c3ccnc(N)n3)sc2C(N)=O)c(Cl)c1,0,0,0,0
Cc1nc(N2CCC(C)CC2)c(C#N)c(C)c1[N+](=O)[O-],0,0,0,0
CNC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1,0,0,0,0
CCCCS(=O)(=O)c1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
C#CCOc1nc(-c2cnccn2)nc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1Oc1ccccc1OC,0,0,0,0
COc1ccccc1NC(=O)NC(=O)c1ccccc1,0,1,0,0
Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1,1,0,0,0
Cc1cccc2[nH]c(CCNC(=O)C3CCC(=O)N(CCc4cccc(F)c4)C3)nc12,1,0,0,0
O=C(c1ccncc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1,0,0,0,0
CC(C)[C@H]1NC(=O)[C@@H](Cc2cccc(Cl)c2)NCCOc2ccccc2CCCNC(=O)[C@H](CNC2=NCCCN2)NC1=O,0,0,0,0
COc1cc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc(OC)c1OC,1,0,0,0
O=C(OCC(=O)N1CCCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,0,0,0,0
N#CCC(CNc1ncc(C(F)(F)F)cc1Cl)OC(=O)c1ccc(Cl)cc1Cl,0,0,0,0
CCN(CC)CCOC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
Nc1nc(Nc2cccc(F)c2)nc2ccccc12,0,1,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2CCO3)C1=O,0,0,0,0
C[C@]1(C(=O)O)C=C[C@@H](Cc2ccccc2)N1C(=O)c1ccccc1,0,0,0,0
CC1=CC2C(C3C=CC2(C)C(=O)C3(C)O)C(C)(O)C1=O,0,0,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)c(OC)c(OC)c1,0,0,0,0
Cc1cc(S(=O)(=O)c2ccc3sccc3c2)cc2c3c(oc12)CCNC3,0,0,0,0
CN(C)CCOc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N,0,0,1,0
O=[N+]([O-])c1ccc2sc(SCc3nc4ccccn4c3Br)nc2c1,0,0,0,0
CN(C)c1ccc(-c2nc3cnccn3c2Nc2cccc(C(F)(F)F)c2)cc1,0,0,0,0
COCCNC(=O)C(c1ccc(F)cc1)N(Cc1ccco1)C(=O)CCC(=O)Nc1nccs1,1,0,0,0
CCNC(=O)NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,0,0,0,0
CCn1cc([N+](=O)[O-])c(C(=O)N2CCOCC2)n1,0,0,0,0
COCCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
CN1CCN(c2ccc(N=Cc3c(O)[nH]c(=O)c4ccc(-c5ccoc5)cc34)cc2)CC1,0,0,0,0
CN(C)Cc1ccc(CSCCCCCCSCc2ccc(CN(C)C)o2)o1,0,0,0,0
CCc1cc2c(=O)[nH]cnc2s1,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)NCCCCCCCCC(=O)NO)cc3)nc2c(=O)[nH]1,0,0,0,0
Cc1ncccc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N,0,0,0,0
COCCn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)cn1,0,0,0,0
Cc1cc(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)sn1,0,0,0,1
CN(C)S(=O)(=O)c1cccc(NC(=S)NN=CC2CC=CCC2)c1,0,0,0,0
CCN(CC)c1nc(SC)nc2c1cnn2CC(Cl)c1ccc(Cl)cc1,0,0,0,0
CC(C)Oc1ccc(-c2cc(C(=O)NN=Cc3ccccc3O)[nH]n2)cc1,1,0,0,0
CC(=O)c1ccc(S(=O)(=O)Nc2ccc(-n3cnnn3)cc2)cc1,0,0,0,0
CCOC(=O)c1ccc2c(c1)NCc1cccc(OC)c1O2,0,1,0,0
CCn1cc(S(=O)(=O)NCCc2ccc(F)cc2)cn1,0,0,0,0
Cc1cc(C)cc(-n2cc(O)c(=O)cc2CO)c1,0,0,0,0
N#Cc1c2c(c(SCc3cccc(Cl)c3)[nH]c1=O)CCCC2,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(N(C)C)c2)c1,0,0,0,0
Cc1ccc(C(=O)N2CCC(F)(c3ccc(C#N)cc3)CC2)cc1-c1nc[nH]c1Cl,0,0,0,0
Nc1nc(NCCCCCCC(=O)NO)c2[nH]cnc2n1,0,0,0,0
O=C1OC2(CCN(c3nc4ccc(Br)cc4[nH]3)CC2)CN1c1ccccc1,0,0,0,0
Cc1ccccc1CCNCc1ccc(-c2ccc(C(=O)NO)s2)nc1,0,0,0,0
COc1ccc(C(=O)C=C2C(=O)Nc3ccccc32)cc1,0,0,0,0
O=S(=O)(c1cccc(-c2nnc(-c3cccnc3)o2)c1)N1CCCCC1,0,0,0,0
O=C1c2cccc(-c3nc4ccccc4[nH]c3=O)c2CN1C1CCCC1,0,0,0,0
N[C@H]1Cn2c(nc3cnc(C(F)(F)F)cc32)C[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2csc3c2CCCCC3)CC1,0,0,0,0
COc1ccccc1-c1c(C)nn2c(N3CCN(c4cccc(Cl)c4)CC3)cc(C)nc12,0,0,0,0
CCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccccc1Br,0,0,0,0
CCc1cccc(C)c1N(C(=O)Cn1c(=O)[nH]c2ccccc21)C(C)COC,1,0,0,0
CC(=O)Nc1ccc(Cl)c(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
CCCN(C(=O)c1cc(-c2ccco2)nc2ccccc12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,0,0,0,1
COc1ccc(-c2nc3c4cn(C)nc4nc(N(C(=O)c4ccccc4)C(=O)c4ccccc4)n3n2)cc1,0,0,0,0
Cc1cc(C)c[n+](-c2[nH]c(=O)sc2C=NNC(=S)Nc2ccccc2)c1,0,0,0,0
Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccccc3NCCO)c2C)cc1,1,0,0,0
COc1ccc(Cn2c(C3CC3)nc3ccc(NC(C)=O)cc3c2=O)cc1,1,1,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C(C)(c1cc(F)ccc1F)O2,0,0,0,0
CN(C)CCNc1ncnc2ccccc12.Cl,0,0,0,0
CCN1CCN(C(=O)c2ccc(CS(=O)(=O)Cc3ccccc3C)o2)CC1,0,0,0,0
O=C1Nc2ccc(C(=O)c3cccs3)cc2/C1=C/c1ccc[nH]1,0,0,0,0
CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(=O)O)[C@@H](O)[C@H]1O,0,0,0,0
Nc1nc(Nc2cccnc2)nn1C(=O)c1c(F)cccc1F,0,0,0,0
CCOC(=O)C1CCN(C(=O)Cn2cc(C(=O)c3ccco3)c3ccccc32)CC1,0,0,0,0
c1ccc2c(c1)nc(NCC1CCCO1)c1nnnn12,0,0,0,0
NC(=O)CN1Cc2ccccc2OC1=O,0,0,0,0
COc1cccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1O,0,1,0,0
CC1CCN(Cc2c(O)ccc3c(=O)c(-c4nc5ccccc5s4)c(N)oc23)CC1,0,1,0,0
Cc1cc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)ccc1Cl,0,0,0,0
Cc1cccc(C(=O)N(CCCN(C)C)c2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)c1,1,0,0,0
COc1cc2c(cc1OC)C1(CCCC1)CNC2c1ccc([N+](=O)[O-])cc1,0,0,0,0
Cc1ccc(NC2=C(OC(C)C)OC(=O)C2Cl)cc1,0,0,0,0
CNC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O,0,0,0,0
Cc1cccc(-n2c(C)nc3ccccc3c2=O)c1C,0,0,0,0
Cc1cc(C)nc(OC2CN(C(C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1,0,0,0,0
O=C(c1sc2cc(O)ccc2c1-c1ccc(F)cc1)C1CC1,0,0,0,0
CCN(CC)CCSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1,0,0,0,0
O=C(c1ccc(Nc2nc(C3CC3)cn3c(-c4cn[nH]c4)cnc23)cc1Cl)N1CCNCC12CC2,0,0,0,0
Cc1cc(OC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1CN1CCOCC1,1,0,0,0
Cc1cc(-c2ccccc2)nc(O)c1S(=O)(=O)c1ccc(Cl)cc1,1,0,0,0
CN(CCCCCCCOc1cccc(-c2oc3ccccc3c2C(=O)c2ccccc2)c1)Cc1ccccc1,0,0,0,0
COC(=O)N1N=C(c2ccc(Br)cc2)CC1(O)C(F)(F)F,0,1,0,0
CCN(CC)c1ccc(C=NNC(=S)NCc2ccccc2)c(O)c1,1,0,0,0
COc1ccc2c(c1)nc(N1CCN(CCCCn3cccn3)CC1)c1cccn12,0,0,0,0
Clc1cccc(Cl)c1Cn1cnc(=NCc2ccco2)c2[nH]cnc21,0,0,0,0
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccccc4)n3)c2)CCOCC1,0,0,0,0
CCCC1Cc2[nH]c(=O)c(C#N)cc2CO1,0,0,0,0
C[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C[C@@H](C)O)c3)nc12,0,0,0,0
CN1C(=O)c2nc(N3CCCC(N)C3)n(Cc3ccccc3C(F)(F)F)c2C1=O,0,0,0,0
NS(=O)(=O)c1ccccc1NS(=O)(=O)CCc1ccc(C#CC2CCCCC2)nc1,0,0,0,0
Cc1nc(-c2ccnnc2)n2c1sc1cc(OCc3ccc4ccccc4n3)ccc12,0,0,0,0
CC(C)n1nc(-c2cnc(N)c(C(F)(F)F)c2)cc1C(C)(C)O,0,0,0,0
Cc1nc2ccc(/C=C/C(=O)NO)cc2c(=O)n1-c1ccccc1,0,0,0,0
CCOC(=O)c1sc2nc[nH]c(=O)c2c1C,0,0,0,0
O=C1CC(c2cccs2)Cc2nc(NC(=O)C3CC3)ncc21,0,0,0,0
CCS(=O)(=O)N(C[C@H](C1CC1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1)C(F)F,0,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(=O)CC(C)C)cc1,0,0,0,0
CC(C)CCn1c(Oc2ccccc2Cl)nc2c1c(=O)n(C)c(=O)n2C,1,0,0,0
O=C(N/N=C/c1ccc(N2CCOCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1,0,1,0,0
S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1,1,0,0,0
Nc1ccc(S(=O)(=O)Nc2nccc(C=Cc3ccc(Br)s3)n2)cc1,0,0,0,0
O=C(O)CN1C(=O)Nc2ccc(Br)cc2C1c1ccccc1,0,0,0,0
Cc1cc(NC(=O)CC2CCCC2)ccc1Br,0,1,0,0
CC(/C=N/NC(=O)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1)c1ccccc1,1,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3ccc(C(F)(F)F)cc3F)CC2)C1,0,0,0,0
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCCC1,0,0,0,0
COc1ccc(F)c(CN2CCN(CCc3ccccc3)C(CCO)C2)c1,0,0,0,0
CC(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1,0,1,0,0
C[C@@H](OC[C@@]1(c2ccccc2)C[C@@H](N2CCCCC2=O)C(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
O=C1NC2(CCCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1,0,0,0,0
CCCCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
Cc1cccc(C(=O)Nc2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)c1,1,0,0,0
Cc1ccc(Oc2c(C)[nH]c(-c3ccccc3)nc2=O)cc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc4c(c3)C(C)(C)CO4)C2)cc1,0,0,0,0
COc1ccc(Cl)cc1NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C,0,0,0,0
CN1CCN(c2cccc(Nc3ncc4c(n3)-c3c(c(C(N)=O)cn3C)CC4)c2)CC1,0,0,0,0
Cc1ccc2c(=O)cc(CSc3ccccc3)[nH]c2c1C,0,0,0,0
Cc1ccc(-c2nsc(COc3ccc(OC(C)(C)C(=O)O)c(C)c3)n2)cc1C,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)N2CC(=O)Nc3ccccc32)c1,0,0,0,0
Cc1ccc(N=C2C=C(O)C(=O)c3ccccc32)cc1,0,0,0,0
C[C@H](c1ccccc1)n1ncc2cc(Nc3ncnn4ccc(COC[C@@H]5CNCCO5)c34)ccc21,0,0,0,0
CCCCOc1ccc(C2CCC(C(C)=O)C(C)C2)cc1,0,0,0,0
O=C(c1cc(F)ccc1F)C1CCCN(C(=O)c2ccc3nccnc3c2)C1,0,0,0,0
COc1ccc(NC(=O)CSc2nc(O)cc(=O)n2C)cc1,1,0,0,0
O=C(c1cc2ccccc2[nH]1)N1CCN(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)CC1,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c1,1,0,0,0
COc1ccc(-c2nc(SCC(=O)N(CC(C)C)c3c(N)n(Cc4ccccc4)c(=O)[nH]c3=O)n[nH]2)cc1,0,1,0,0
CCCCC(c1nnnn1Cc1ccco1)N1CCN(c2nc3ccccc3s2)CC1,0,0,0,0
COc1ccccc1OCC(O)CN1CCN(CC(=O)Nc2c(C)cccc2C)CC1,0,0,0,0
Cc1cc(CCCc2ccccc2)c(CCCCCC(C)(C)C(=O)O)s1,0,0,0,0
CCc1ccc(NC(=O)CSc2nc(=O)c(S(=O)(=O)c3cc(C)ccc3C)c[nH]2)cc1,1,0,0,0
Oc1ccc(Cl)cc1CNCc1ccc(Cl)nc1,0,0,0,0
C[C@@H]1CN(CCC#N)CCN1c1cc2nc(SC(C)(C)C)[nH]c2cc1Cl,0,0,0,0
CCCCCCCCCCS(=O)(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1,0,0,0,0
COc1ccc(N(C)C(=O)C2CCN(S(=O)(=O)c3cccc4nsnc34)CC2)cc1,1,0,0,0
CCc1cc2c(=O)n(CCO)c(CC)nc2s1,0,0,0,0
Cc1cc(C)n(-c2nc(Nc3ccccn3)cc(-n3cccn3)n2)n1,0,0,0,0
O=C(O)c1cc(Br)cc2c(=O)cc(-c3cccc(OCc4ccc5ccc(Cl)cc5n4)c3)oc12,0,0,0,0
NC(=NCCCN1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(I)cc3)c2=O)cc1,0,0,0,0
N#Cc1cc2c(nc1SCC(N)=O)CCCCC2,0,0,0,0
Cc1c(Cn2cnc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F,0,0,0,0
O=C(CSc1ccccn1)Nc1ccc2c(c1)CCC2,0,1,0,0
COc1cc(C2NC(=O)C(C#N)C(=S)N2c2ccc(C)cc2)ccc1OC(C)C,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2ccc(Br)o2)CC1,0,0,0,0
Cc1nc(N)nc2ncc(-c3cnc4[nH]ccc4c3)cc12,0,0,0,0
COc1ccc(Nc2nc3c(-c4ccc(S(C)(=O)=O)cc4)cccn3n2)cc1,0,0,0,0
Cc1c(NC(=O)N2CCOCC2)ccc2c1c1ccccc1n2C(C)C,0,0,1,0
COc1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cn1,0,0,0,1
CC(C)CN(CCNC(=O)CCN1N=C(c2ccccc2)CCC1=O)CC(C)C,0,0,0,0
Cc1cc(Nc2ccc(F)cc2C)n2nc(C)nc2n1,0,0,0,0
CCc1ccc[n+](-c2[nH]c(=O)sc2C=NNC(=S)Nc2ccccc2)c1,0,0,0,0
CN(C)Cc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cn1,0,0,0,0
NS(=O)(=O)c1c(F)c(F)c(SC2=S=Nn3c2nc2ccccc23)c(F)c1F,0,0,0,1
CCCNC(=O)Cn1cnc2sc(C(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(C)c2c1=O,1,0,0,0
O=c1c2c(-c3ccccc3)csc2ncn1/N=C/c1ccc(O)c([N+](=O)[O-])c1,0,0,0,0
CC(=O)N1c2ccccc2Nc2ccccc21,0,0,0,0
CC(=O)NC[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
CCN1C(=O)C(CC(=O)Nc2ccc(OC)cc2)N(CCCN2CCN(c3ccc(F)cc3)CC2)C1=S,1,0,0,0
CC(=O)Nc1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1ccc(C(C)(C)C#N)cc1,0,0,0,0
N#C/C(C(=O)NCc1ccccc1)=C1/N=C(NC(=O)c2cccs2)c2ccccc21,1,0,0,0
CCCCCCCCCC(=O)N(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1,0,0,0,0
COc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccccc2)c(OC)c1,1,0,0,0
N#Cc1sc(NCCNc2nc(-c3ccc(Cl)cc3Cl)cn3ccnc23)nc1N,0,0,0,0
COc1ccc(CN(CCN(C)CCN2CCN(C(=O)c3cc4cc(Cl)ccc4[nH]3)CC2)c2ccccn2)cc1,0,0,0,0
Cn1cc2c(Nc3nc(N[C@@H]4CCCC[C@@H]4N)nnc3C(N)=O)cccc2n1,0,0,0,0
COc1cccc(-c2cc3nc(-c4ccccc4)cc(=O)n3[nH]2)c1,0,1,0,0
O=C1OCCC1Sc1nc2cc(Cl)ccc2n1Cc1ccccc1,0,0,0,0
Clc1ccc(C(Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1,0,0,0,0
S=C(SSC(=S)N1CCSCC1)N1CCSCC1,0,0,1,0
Cc1cccc2c(=O)[nH]c3c(c12)COC(C(C)(C)CO)C3,0,0,0,0
COc1ccc(-n2c(C)cc(SC)c(C(C)=O)c2=S)cc1,0,0,0,0
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1F,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)COC)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCc1nc(C)c2c(C(F)(F)F)nc3ccc(OC)nc3n12,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCCN1CCOCC1,1,0,0,0
CC(=Nc1ccc(O)cc1)c1sc2ccccc2c1O,1,1,0,0
OCCC1CN(Cc2ccc(F)cc2)CCN1CCc1ccccc1,0,0,0,0
Cc1nc2ncnn2c(N2CCN(S(=O)(=O)c3ccc(Br)cc3)CC2)c1C,0,0,0,0
CCC(C)(C)Cc1cnc(CCc2ccc(-c3ccc(F)cn3)cc2)[nH]1,0,0,0,0
Cc1cc(-c2ccccc2N(C)S(C)(=O)=O)n2nc(Nc3ccc(C4CCN(CC(N)=O)CC4)cc3)ncc12,0,0,0,0
COC(=O)CCC(C)N1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1,0,0,0,0
CCS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1C,0,0,0,0
Cc1ccnc(Oc2ccc(-c3cc4c(cc3F)ncc3ncn(C5(C)CCN(C(N)=O)CC5)c34)c(Cl)c2)n1,0,0,0,0
O=C(NNC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccccc1O,0,1,0,0
Cc1cc(C2CCC2)c(-c2ncn[nH]2)cc1C(=O)N1CCC(F)(c2ccc(C#N)cc2)CC1,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2Br)c2ccccc2Br)CC1,0,0,0,0
COc1ccc(C2C(=O)N(C3CCC(C)CC3)CC(=O)N2Cc2ccc(C)cc2)cc1OC,1,0,0,0
CCOc1ccc(CNc2cccc(SC)c2)cc1,0,0,0,0
N#Cc1nc(-c2ccc(OCc3ccccc3Cl)cc2)oc1NCCCn1ccnc1,0,0,0,0
COC(=O)Cc1c(C)[nH]c2nc(NCc3c(F)cccc3Cl)nn2c1=O,0,0,0,0
CCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3Cl)c(C)n2n1,0,0,0,0
O=c1cc(C=Cc2ccccc2)oc2c1ccc1ccccc12,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1[N+](=O)[O-],0,0,0,0
Cc1cn2c(nc1=O)OC1C(O)C(COC(=O)c3ccccc3)OC12,0,0,0,0
O=C(O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1,0,0,0,0
CCN(CC)c1ccc2c(-c3ccc(S(=O)(=O)NC4CCCN(C(=O)c5ccc(NC(=O)c6ccccc6-c6ccccc6)cc5)c5ccccc54)cc3S(=O)(=O)[O-])c3ccc(=[N+](CC)CC)cc-3oc2c1,0,0,0,0
CCOC(=O)c1c(NC(=O)CCN2CCOCC2)sc2c1CC(C)(C)OC2,1,0,0,0
CC(C)[C@]1(c2ccc(-c3ccc4ccccc4c3)[nH]c2=O)OC(=O)NC1=O,0,0,0,0
C[C@H]1CN2CCN(Cc3cccc(O)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
COc1cc(-c2n[nH]c(=S)[nH]2)cc(OC)c1OC,0,0,0,0
O=C(O)Cn1c2c(c3cc(NS(=O)(=O)c4ccc(F)cc4)ccc31)CC(c1ccccc1)CC2,0,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@H]5CCC[C@@H]5O)c4n3)nn2)CC1,0,0,0,0
O=C(O)CCSc1ncnc2nc[nH]c12,0,0,0,0
CN(C)c1ccc(C(=S)N2CCCCCC2)cc1,0,0,0,0
CC[C@@H](Nc1ccc(C)c(CNCCC(=O)O)c1)c1cc(C)c(Cl)c(C)c1,0,0,0,0
CCc1ccc(Nc2cc(-c3ccccc3)nn3ccnc23)nc1,0,0,0,0
O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1ccc(F)cc1,1,0,0,0
CCC(C)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CC(C)N3C(C)=O)CC1,0,0,0,0
CCOc1ccccc1CNS(=O)(=O)c1cc(-c2onc(C)c2C)ccc1OC,0,0,0,0
CC(O)(CS(=O)(=O)Cc1ccccc1)c1ccccc1,0,0,0,0
O=C1COc2ccc(C(=O)COC(=O)CNC(=O)c3ccco3)cc2N1,0,0,0,0
COCCOC(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
CSc1ccccc1NC=C1N=C(c2ccccc2)OC1=O,0,0,0,0
CN(Cc1ccco1)c1ncnc2ccc(-c3cccc(NS(C)(=O)=O)c3)cc12,1,0,0,0
CCOc1ccc2c(c1)[C@H](c1ccc(OC)cc1)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
COc1ccc([S+]([O-])Cc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)o2)cc1,1,0,0,0
COc1cc2c(c(OC)c1)C1C3CCCC(C(=O)N1CC2)N3S(=O)(=O)c1ccc(-c2ccccc2)cc1,0,0,0,0
CC(=O)Nc1ccc(C2Nc3c(C)cc(C)cc3-c3cc(C)nn32)cc1,0,0,0,0
C=CCn1c(-c2cccc(S(=O)(=O)N(CC)CC)c2)n[nH]c1=S,0,0,0,0
COCCn1c(C)cc(O)c(C(c2ccccc2OC)N2CCCCC2)c1=O,0,0,0,0
CCCCCNC(=O)NCCCC/C=C\CCCCCCc1nn[nH]n1,0,0,0,0
Cc1cc(=O)[nH]c(N/N=C/c2ccccc2C(F)(F)F)n1,0,0,0,0
CNS(=O)(=O)c1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
Cc1cccc(N2CCN(Cc3nc(C4CC4)no3)CC2)n1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3cccc(O)c3)c12,0,0,0,0
CCOC(=O)c1nnc2cc(-c3ccc(Br)cc3)nn2c1C,0,0,0,0
CC(C)(C)c1ccc(NC(=O)c2ccsc2)cc1,0,1,0,0
N#Cc1ccc(OCc2nnc(SCC(=O)N3CCCc4ccccc43)n2-c2ccccc2)cc1,1,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccccc3F)c12,0,0,0,0
COCC(C)(C)N(C)[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
CCCc1cc(=O)c2ccc(C)nc2[nH]1,0,0,0,0
CCOc1ccc(OCC)c(Nc2nc3ccc(Cl)cc3n3cnnc23)c1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2cccc(F)c2)c2cccc(Cl)c2)CC1,0,0,0,0
CCC(CC)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(-c2noc(C)n2)cc1)C(=O)O,0,0,0,0
Cc1cc(S(=O)(=O)NCCc2ccccc2)ccc1-n1cnnn1,0,0,0,0
COc1n[nH]c(-c2cc(C(=O)N3CCC(c4ccc(C(F)(F)F)cc4)CC3)c(C)cc2C2CCC2)n1,0,0,0,0
COc1ccc(-c2[nH]c3nccnc3c2C)cc1OC,0,0,0,0
Cc1ccc2nc(C)cc(Nc3ccc4c(c3)OCCO4)c2c1,0,0,0,0
COc1ccccc1C(=O)C1CCCN(C(=O)c2ccccc2Cl)C1,0,0,0,0
Fc1ccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc1,0,0,0,0
O=C1C=Cc2ccccc2/C1=N\Nc1cccc2cc(S(=O)(=O)O)ccc12,0,0,0,0
Cc1ccc(-c2n[nH]cc2CNCCc2cnn(-c3ccccc3)c2)cc1C,0,0,0,0
COc1ccc(N2C(=O)C(=Cc3ccco3)N=C2SCC(N)=O)cc1Cl,0,0,0,0
CC(C)Cc1sc(Cl)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
Cc1ccc(-c2ccc(S(=O)(=O)Nc3cc(N4C[C@@H](C)N[C@@H](C)C4)ccc3O)cc2F)o1,0,0,0,0
COc1ccc2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CC2,0,0,0,0
CC(=O)NC12CC3CC(C1)CC(C(=O)Nc1nc4ccc(F)cc4s1)(C3)C2,1,1,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2N)cc1,0,0,0,0
CN(C)c1ncc(/C=C2\COc3cc(Cl)cc(Cl)c3C2=O)cn1,0,0,0,0
CCOc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(C)CC,0,0,0,0
CCCNS(=O)(=O)c1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
N#Cc1ccc(Oc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)cc1C#N,1,0,0,0
Cc1ccc(-c2n[nH]c(=S)n2N=Cc2ccc(C)s2)cc1,0,0,0,0
Cc1ccc(C)c(N2C(=O)CC(Cc3ccccc3)C2=O)c1,0,0,0,0
CCC1CCCCN1C(=O)CSC1=NNC(=C2C=Nc3ccccc32)O1,1,0,0,0
C=CCN(CC)C(=O)[C@@]1(c2cccs2)C[C@H]1CN,0,0,0,0
CCN1CCN(c2nc3c(c(=O)[nH]2)CCCC3)CC1,0,0,0,0
COc1ccc2c(CNC3CCCCCC3)c(C(=O)O)n(Cc3ccc(C)cc3)c2c1,0,0,0,0
CC(C)(C)C(=O)Nc1nnc(Cc2ccccc2)s1,0,0,0,0
COc1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1,0,0,0,0
CCOC1OC(C(=O)NCc2ccccc2)=CC(c2ccc(C(F)(F)F)cc2)C1CCCO,1,0,0,0
Cc1ccc(Cl)cc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1,1,0,0,0
O=S(=O)(c1cc(Cl)cc(Cl)c1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)cs1,0,0,0,0
O=c1c2cccnc2n(Cc2ccccc2F)c(=O)n1Cc1ccccc1Cl,0,0,0,0
Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(NC(=O)c4ccco4)cc3)c2c1C,1,0,0,0
C=CCNc1ncnc2ccc(Br)cc12,0,0,0,0
CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1,0,0,0,0
CCOC(=O)c1cnc2ccc(OC)cc2c1NCCc1ccc(OC)c(OC)c1,0,0,0,0
CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,0,0,0,0
O=C(O)c1c(-c2ccc(Cl)cc2)cn2ccccc12,0,0,0,0
CCC(CC)Sc1nc2cc(N3CCN(CCO)C(C)(C)C3)c(Cl)cc2[nH]1,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1,0,0,0,0
O=c1ccn(-c2ccnc(-c3ccccc3)c2)cc1O,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2cccc(C)c2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCSC)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
CCC(=O)N(C)c1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2cccc(OC)c2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
CC(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1ccc2c(c1)NC(=O)CO2,0,0,0,0
O=c1[nH]cnc2[nH]c(-c3cccc4ccc(Nc5ccc(Cl)cc5)nc34)cc12,0,0,0,0
NC1C=CS(=O)(=O)C1,0,0,1,0
Cc1ccnc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)c1,0,0,0,0
CC1CC(=O)NN=C1c1ccc2nc(-c3cccc(Cl)c3)oc2c1,0,0,0,0
CCC(=O)NC(Nc1sc2c(c1C(=O)OC)CCCC2)(C(F)(F)F)C(F)(F)F,0,0,0,0
CN1CCC(c2cc3c(-c4cccc(NCCc5ccccc5)n4)ccnc3[nH]2)CC1,0,0,0,0
CN=C(NC#N)Nc1ccc(C2=NNC(=O)CC2C)cc1,0,0,0,0
CN(C)S(=O)(=O)c1cccc(-c2nnc3n2CCCCC3)c1,0,0,0,0
O=C(NO)c1ccc(CCCC(O)c2ccc3ccccc3c2)cc1,0,0,0,0
CCOC(=O)Cn1c(=O)ccc2c(C)cc(C)nc21,0,0,0,0
CCOc1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl,0,0,0,0
Cc1cc2c(cc1S(=O)(=O)Nc1cccc(C)c1C)OCC(=O)N2,0,0,0,0
O[C@@H](c1ccc(-c2cc(F)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)F,0,0,0,0
Cc1ccc(Cn2nnnc2CN2CCC(NC(=O)C(C)(C)C)CC2)cc1,1,0,0,0
Cc1nc(-c2cccc(Cl)c2)sc1COc1ccc2c(c1)OCC2CC(=O)O,0,0,0,0
CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCN4CCN(CCc5ccccc5)CC4)nc32)[C@H](O)[C@@H]1O,0,0,0,0
Cc1cc(-c2nnc(-c3cc(F)c(OC[C@H](N)CO)cc3Cl)s2)cc(OC(C)C)n1,0,0,0,0
C=C(C)c1cc(O)cc2ncn(-c3ccc(O)cc3)c(=O)c12,0,0,0,0
Cc1ccc(NCCN(C)C)c2c(=O)c3cc(O)ccc3sc12,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2cccc(F)c2)c2cccc(OC(F)(F)F)c2)CC1,0,0,0,0
Fc1ccc([C@H]2CC[C@@H](OCCCc3cccnc3)O2)cc1,0,0,0,0
CCn1cnc2sc(C)c(C)c2c1=O,0,0,0,0
O=C(c1ccccc1F)c1cn(Cc2ccc(F)cc2)c2ccccc12,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(COCCCO)CC2)ncc1Cl,0,0,0,0
C=CCC1(C(C)CC)C(=O)NC(=O)NC1=O,0,0,0,0
CC(Sc1nnc2ccccn12)C(N)=O,0,0,0,0
Cc1ccc(S(=O)(=O)c2c(Nc3cccc(Cl)c3)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,1,0,0,0
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1N,0,0,0,0
OCC1CCN(c2nc3ccccc3nc2C2CN(c3ccc4ccccc4n3)C2)CC1,0,0,0,0
CCOP(=O)(C1=C(O)C(=O)C(C(C)(C)C)=CC1=O)c1ccccc1,0,0,0,0
Cc1ccc2c(CSc3nncn3C)cc(=O)oc2c1C,0,0,0,0
CCOc1cc(CNc2ccc(O)cc2)cc(Br)c1OCc1ccccc1,0,0,0,0
CCN(CC)CCNC(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
N#Cc1cc(-c2ccccc2)nnc1Sc1ccccc1,1,0,0,0
Oc1ccc2cccc(NCc3cnc[nH]3)c2c1,0,0,0,0
CCOC(=O)CC(NC(=O)CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C)c1ccc(C)cc1,1,0,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4cc(OC)c(OC)c(OC)c4)ccc3C)c(NC)n2)ccc1C,0,0,1,0
CCOc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1,0,0,0,0
O=c1[nH]c2nc(SCc3ccc(Cl)cc3)ncc2c(=O)n1-c1ccccc1,1,0,0,0
CCOCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1,0,0,0,0
O=[N+]([O-])c1ccc(CSc2ncnc3c2ncn3Cc2ccccc2-c2ccc(O)cc2)cc1,0,0,0,0
COc1ccc(/C=N/N2C(=O)CSC2=S)cc1,0,0,0,0
O=C(Nc1ccc2ccccc2n1)c1ccc(Cl)cc1,0,1,0,0
C#CCN(C)[C@H](C)Cc1ccc(NCc2ncccc2C)cc1,0,0,0,0
C#Cc1cccc(Nc2ncnc3cc4oc(=O)n(CCOC)c4cc23)c1,0,0,0,0
c1ccc2[nH]c(CN3CCN(c4ncnc5c4oc4ccccc45)CC3)nc2c1,1,0,0,0
C=CC(=O)N1CC[C@H](n2nc(C(=O)Nc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1,0,0,1,0
Clc1cc(Br)ccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
CCC1(CCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)Nc2ccccc21,0,0,0,0
CCOC(=O)CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)N2CCOCC2)cc1,1,0,0,0
CC1(C)CCC(N2CCC3(CC2)C(=O)N(CCNCC2CCCCC2)CN3c2ccccc2)c2ccccc21,0,0,0,0
CCc1nc(-c2ccco2)c2sccc2n1,0,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3cccc(O)c3)nc2n1,0,0,0,0
Cc1cccc(-c2nc(SCc3ccc(Br)cc3)n3[nH]c(=O)cc3n2)c1,0,0,0,0
N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(Br)cc1)C1CCCCC1)C(=O)CF,0,0,1,0
CC(=O)OCC1CCCC2=C(C)C(=O)CCC21COC(C)=O,0,0,0,0
COc1ccc(O)c(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1,0,0,0,0
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)O,0,0,0,1
CC(Oc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1)c1c(Cl)cncc1Cl,0,0,0,0
COC(=O)/C=C/c1ccccc1-c1cccc(-c2cc(=O)cc(N3CCOCC3)s2)c1,0,0,0,0
N#CC1(c2cccc(F)c2F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
CCOC(=O)c1ccc(-c2ccc(C=C(C#N)C(=O)NCc3ccccc3)o2)cc1,0,0,1,0
CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(F)cc3)c2c1N,0,0,0,0
CC1=C([N+](=O)[O-])C(c2ccccc2Cl)NC(=O)N1,0,0,0,0
CCCc1nc(CC)c(C(=O)OCCN(C(=O)OCCC(C)C)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F,0,0,0,0
CCn1c2ccccc2c2cc(CNCc3ccc(OC)cc3OC)ccc21,0,0,0,0
C[C@H]1NCCCN(c2ccc3ccccc3c2)C1=O,0,0,0,0
Cn1ncc2c1CN(C(=O)CN1C(=O)N(c3cccc(C(F)(F)F)c3)C3=C(C(=O)CC3)C1c1ccc(C#N)cc1)C2,0,0,0,0
Cc1ccc(O)c(NC(=O)c2cc(-c3cccs3)on2)c1,0,1,0,0
Nc1nc2ccc(N(C=O)Cc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cc2c(=O)[nH]1,0,0,0,0
O=C1C2CSCN2C(=O)CN1CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
CCn1c(N)c(C(N)=O)c(=O)c2cnc(Nc3ccc4c(c3)CCNC4)nc21,0,0,0,0
CN(C)CC1CCC(Nc2c(S(C)(=O)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
CC(Cc1cc(C(=O)Oc2ccc(C(=N)N)cc2F)co1)C(=O)N[C@@H](CC(=O)O)C(=O)O,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC23COC3)CC1,0,0,0,0
CCOC(=O)c1ccccc1-c1ccc(/C=C/[C@H]2[C@@H]3CCCC[C@H]3C[C@H]3C(=O)O[C@H](C)[C@@H]23)nc1,0,0,0,0
COc1cccc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
COc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COc1nc3ccccn3c(=O)c1Br)C2=O,0,0,0,0
O=C(CCl)Nc1nnc2ccccc2n1,0,0,1,0
COc1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c(Cl)c1,0,0,0,0
C[C@]12CCC(=O)C[C@@H]1C[C@@H](CCCCCCCCCC(=O)O)[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0,0,0,0
COC(=O)CC1SC(=O)N=C1Nc1ccc(O)cc1,0,0,0,0
O=C(O)/C=C/C(=O)c1ccc2c(c1)NC(=O)CO2,0,0,0,0
Cc1cc(NC(=O)c2ccc(F)cc2)n(-c2ccccc2)n1,1,0,0,0
COCCn1c(N)c(N(Cc2ccccc2)C(=O)c2ccc3ccccc3c2)c(=O)[nH]c1=O,0,0,0,0
COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cncnc32)cc1,0,0,0,0
COc1ccc(C(O)P(=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc1,1,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc(Cl)cc(C#N)c1)C(F)(F)F,0,0,0,0
Cc1cc(/C=N/Nc2nc(N)ncc2[N+](=O)[O-])c(C)n1-c1cccc(C(F)(F)F)c1,0,1,0,0
O=C1NCc2cc(Oc3ccc(Nc4ncnc5ccn(CCO)c45)cc3Cl)ccc21,0,0,0,0
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1c[nH]c(=O)[nH]c1=O,0,0,0,0
CC(Sc1nc(C(C)(C)C)cc(-c2ccccc2)c1C#N)C(=O)Nc1ccccc1,1,0,0,0
O=S1(=O)CCN(c2ccc(Nc3ncc4ccn(C5CCCCC5)c4n3)cc2)CC1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(F)F)cc21,0,0,0,0
COc1ccc([C@H](O)C[C@H]2NCCc3cc(OC)c(OC)cc32)cc1,0,0,0,1
COc1ccc(N2CSC3=C(C#N)C(c4cccs4)CC(=O)N3C2)cc1,1,0,0,0
COC(=O)c1sc(S(=O)(=O)Nc2c(C)nn(C)c2C)c(C(=O)OC)c1C,0,0,0,0
Cc1ccc(CC2C(=O)N(c3cc(C)ccc3C)C(=O)C2C)cc1,0,0,0,0
COc1ccc(OC)c(C2CC(=O)N=C3NN=C(c4ccccc4)C32)c1,0,0,0,0
CN1CCC(N(C)c2nc(-c3ccccc3)nc3ccccc23)CC1,0,0,0,0
COc1ccc(-n2c(SCCN(C)C)nc3ccccc3c2=O)cc1,0,0,0,0
Cc1cccc(C(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,1,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5cccc(C)c5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1,0,0,0,0
COc1ccc(C=Cc2n[nH]c(=O)c(C#N)c2C)cc1,0,0,0,0
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1,1,0,0,0
O=C(O)C1CCCCC1C(=O)Nc1nc(-c2cccs2)cs1,1,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)O)c1,0,0,0,0
CCOc1ccc(N2C(=O)CC(Cc3ccc(Br)cc3)C2=O)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NCCOCCCCCNC(=O)[C@@H](Cc2cccc(Cl)c2)NC(=O)C2(CCCC2)NC1=O,0,0,0,0
CC(=O)N[C@H]1CCCc2c(-c3ccc(C(F)(F)F)c(F)c3)cncc21,0,0,0,0
Cn1c(/C=N/Nc2nc3ccccc3[nH]2)nc2ccccc21,0,1,0,0
CC1(O)CN(Cc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cn2)C1,0,0,0,0
CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1F,0,0,0,0
CC(Oc1cc(-c2cc(-c3ccc(CN4CCCCC4)s3)cnc2N)ccc1C(N)=O)c1ccccc1C(F)(F)F,0,0,0,0
CCCCOC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
CCn1c(-c2ccc(Cl)cc2)n[nH]c1=S,0,0,0,0
CCN(CC)CCNc1ccc(CNS(C)(=O)=O)c2sc3ccc(O)cc3c(=O)c12,0,0,0,0
CCOc1ccc(Cl)cc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
Cc1nn2cc(-c3ccc(Cl)cc3)nc2s1,1,1,0,0
Cc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3NCc3ccco3)cc2c1,0,0,0,0
CC1CC(C)CN(CCOc2ccc(Cl)cc2Cl)C1,0,0,0,0
CCCS(=O)(=O)Nc1cccc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F,0,0,0,0
CCOC(=O)N1CCC(NS(=O)(=O)c2ccc3c(c2)OCC(=O)N3)CC1,0,0,0,0
COc1ccc(/C(C#N)=C/c2ccccn2)cc1,0,1,0,0
CC[C@H](C)[C@H](N)C(=O)N1Cc2ccccc2C1P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
CN([C@H]1CCOC1)S(=O)(=O)Nc1ccc2ccc3ncc(-c4cnn(C)c4)cc3c(=O)c2c1,0,0,0,0
CC1CCCN(C(c2ccccc2)C2Sc3ncnn3C2=O)C1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2nc3n(n2)C(c2ccc(Cl)cc2)C=C(c2ccccc2)N3)cc1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)NCCCc2ccc(F)cc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
Cn1cc(-c2ccncc2-c2cnc3c(c2)CCCN3C(N)=O)cn1,0,0,0,0
CS(=O)(=O)c1ccc(N2CCOCC2)cc1N,0,0,1,0
CN1C(=O)C[C@@H](c2ccccc2F)[C@@H]1[C@@H](O)c1cccc(-c2ccccc2)c1,0,0,0,0
Cc1cccc(-c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4cccc(C(=N)N)c4)C3=O)cc2)c1,0,0,0,0
COc1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2NC(=S)C3)cc1CCCN(C)C,0,0,0,0
Fc1ccc(F)c(CN2CCN(c3nc4cnccc4nc3NC3CC3)CC2)c1,0,0,0,0
COc1cc(C(=O)OCC(=O)Nc2cc(C)on2)ccc1OCc1ccccc1Cl,1,0,0,0
COc1ccc(NC(=O)C2COc3ccccc3O2)cc1,0,1,0,0
CCCc1cc(-c2ccc3[nH]ncc3c2)on1,0,0,0,0
Cc1ccc2c(c1)C(=O)CCN2,0,0,0,0
CCOc1ccc(-c2n[nH]cc2Oc2ccccc2OC)c(O)c1,0,0,0,0
COC(=O)N1C(=O)C(c2ccccc2)(C2CCCC2)N1C(=O)OC,0,0,0,0
CC(CC(=O)Nc1ccc(Cl)cc1Cl)=NNC(=O)C(=O)N1CCCC1,1,0,0,0
O=C(Cn1cc2c(n1)CCCC2)Nc1ccccc1Br,1,0,0,0
COCCNC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccc(OC)cc1,1,0,0,1
CCCCCn1cc(C(=O)c2cccc3ccccc23)c2cccnc21,0,0,0,0
COc1ccc2c(c1F)C(=O)N(C[C@@]1(C#Cc3cc(F)c4c(=O)[nH][nH]c4c3)NC(=O)NC1=O)C2,0,0,0,0
CN1CCN(CCOc2ccc(-c3cncc(C#N)c3Nc3ccc4[nH]ccc4c3)cc2)CC1,0,0,0,0
CC(=O)c1sc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)nc1C,0,0,0,0
Cc1cc([N+](=O)[O-])c(N2CCCC2C(=O)O)c([N+](=O)[O-])c1,1,0,0,0
Cc1ccc2c(c1)N(CC(=O)OC(CC(C)C)C(=O)NC1CCCC1)C(=O)CO2,1,0,0,0
Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CCNC(C(=O)O)C4)CC3)nc(N)n2)C(F)(F)F)n1,0,0,0,0
Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1,0,0,0,0
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(N)=O,0,0,1,0
COc1cc(C)cc2cc(-c3c(COCC4CC4)c(CN4CCNCC4)n4ncnc(N)c34)sc12,0,0,0,0
COCCn1c(-c2cn3c(C)nnc3c(NC(C)C)n2)nc2cnc(N3CCOCC3)cc21,0,0,0,0
Nc1[nH]cc[n+]1Cc1[nH]c(=O)[nH]c(=O)c1Br,0,0,0,0
CC(C)(C)OC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4c(Cl)nc5sccn45)c3c2)CC1,0,0,0,0
COC(=O)c1ccc(COc2ccccc2C=NNS(=O)(=O)c2ccccc2)cc1,0,0,0,0
CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,1,0,0,0
COc1ccc(C2Nc3ccccc3C(=O)N2c2ccc(C)cc2)cc1Cn1cc([N+](=O)[O-])cn1,1,0,0,0
Cc1ccoc1C(=O)N1CCCCC1C(=O)O,0,0,0,0
COc1ccc(Nc2cc(C)nc3nc(C)nn23)cc1Cl,0,0,0,0
CN(C)c1ncc2nc(-c3ccc(F)cc3)c(=O)n(C)c2n1,0,0,0,0
NCCOc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)cn1,0,0,0,0
O=C(O)c1cccc(N2CCC(CN3CCC(Oc4ccc(Cl)c(Cl)c4)CC3)CC2)c1,0,0,0,0
CN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
CCCCCOc1ccc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc1,1,0,0,0
COc1ccc2c(Nc3c(Cl)cncc3Cl)cc(=O)oc2c1OC1CCCC1,0,0,0,0
COc1cccc(-c2cc(C(=O)N3CCN(C(=O)c4ccco4)CC3)[nH]n2)c1,0,0,0,0
Cc1nc(N2CCN(c3ccccc3)CC2)nc2c1C(=O)CCC2,0,0,0,0
CCCC12CN3CC(C)(CN(C1)C3c1ccc(OCc3ccccc3)cc1)C2=O,0,0,0,0
Cc1cccc(-c2nc(NCCCN(C)C)c3ccccc3n2)c1,0,0,0,0
O=C(O)C(CCCCCCn1ccnc1)c1ccccc1,0,0,0,0
CC(C)(C)NC(=O)CSc1nc(O)cc(=O)n1-c1ccccc1,0,0,0,0
Cc1nn(-c2ccccc2)c2c1N(CCCC(=O)NC(C)c1ccccc1)C(=O)CS2,1,0,0,0
O=[N+]([O-])c1c(F)cccc1Oc1cccc(N(Cc2cccc(OC(F)(F)C(F)F)c2)CC(O)C(F)(F)F)c1,0,0,0,0
CCCN(CCC)C(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)nc2c1,1,0,0,0
Cc1cccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)c1,0,1,0,0
COc1cc(OC)c(S(=O)(=O)N2CCN(C(=O)c3ccccc3F)CC2)cc1NC(C)=O,0,0,0,0
COc1ccc(-c2csc(NC(=O)c3cc(C)oc3C)n2)cc1OC,1,1,0,0
Nc1ccc(Cl)c(N=C2NC(=O)/C(=C/c3ccc4ncccc4c3)S2)c1,0,0,0,0
Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc(N)cc5)cc4)c13)N=C2N,0,0,0,0
COCCn1cnc2c1c(=O)n(CC#N)c(=O)n2Cc1ccccc1,0,0,0,0
COc1cc(C=C2N=C(C)OC2=O)cc(OC)c1OC,0,0,0,0
Cc1cc2ncn(N=Cc3ccc([N+](=O)[O-])o3)c2cc1C,0,0,0,1
COC(=O)c1cc(Cl)ccc1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(Br)cc2)c(=O)[nH]1,0,1,0,0
Brc1ccc2nc(-c3cccs3)c(NCC3CCCO3)n2c1,0,1,0,0
NC[C@@H]1COC[C@@](c2ccccc2)(C2CCCCC2)O1,0,0,0,0
Cc1cc(=O)nc(SC(C(=O)O)c2ccccc2)[nH]1,0,0,0,0
CCOC(=O)CCSc1nc(C)c2cc(C)ccc2n1,0,1,0,0
CCOC(=O)C1=C(C)C(c2ccc(OC)cc2OC)NC(=O)N1,0,0,0,0
N#C[C@H](Cc1ccc(-c2ccc3c(c2)NC(=O)C3)cc1)NC(=O)[C@@H]1NC2CCC1CC2,0,0,0,0
O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2cccnc2)CC1,0,0,0,0
CCN(CC)CCNc1ccc2ncn3c4ccc(OC)cc4c(=O)c1c23,0,0,0,0
Cc1ccc(-c2nc3ccccc3c(=O)n2-c2ccncc2)cc1,0,0,0,0
CC(C)c1ccc(Nc2nnc(-c3c(NCc4ccncc4)ncn3C)o2)cc1,0,0,0,0
COc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)c(OC)c1,0,0,0,0
N#Cc1c[nH]n2c(NC3CCCCC3)c(-c3ccccc3F)nc12,0,0,0,0
O=C1NN=C2CCCc3c2c2c1cccc2n3CCN(Cc1ccccc1)Cc1ccccc1,0,0,0,0
CC(C)(C)OC(=O)[C@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@@H](C#N)C1,0,0,0,0
CC1(C(=O)O)Cc2ccccc2C(=O)O1,0,0,0,0
N[C@H]1C=CC[C@H](C(=O)O)C1,0,0,1,0
Cc1n[nH]c(O)c1C(c1c(C)n[nH]c1O)c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12,1,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OC)ccn2)cc1,0,0,0,0
CN1CCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2cccc3ccccc23)CC1,0,0,0,0
COc1ccccc1CCNS(=O)(=O)c1c(C)n(C)c(=O)n(C)c1=O,0,0,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc2ccccn12,0,0,0,0
COCCCNC(=O)CCN1C(=O)COc2ccccc21,0,0,0,0
Cc1c(-c2ccc(Cl)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
C[C@@H](O)[C@H](N)C(=O)NS(=O)(=O)c1cccc(-c2ccc3c(N)nc(N)nc3c2)c1,0,0,0,0
Cc1ccccc1CN1CC2CC(c3ccc4nsnc4c3)N3CCCC23C1=O,1,0,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5,0,0,0,0
CS(=O)(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
Cc1c(C(=O)N(C)C)sc2c1c(=O)n(-c1ccc(Cl)c(Cl)c1)c(=O)n2CC(=O)N1CCCCC1C,1,0,0,0
CN1CC(CN2CCN(c3cc(C(F)F)cc(Nc4nc(NC5CC5)c5ncc(C#N)n5n4)c3Cl)CC2)C1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COC(=O)CC1C(C)(C)C(OC(C)=O)C2CC3C4CC(=O)OC(c5ccoc5)C4(C)CCC3C1(C)C2=O,1,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(CC(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1ccccc1C(=O)C1CCCN(C(=O)Nc2ccccc2F)C1,0,0,0,0
C[C@H]1COCCN1c1nc(-c2cnc(N)nc2)c2c(n1)N([C@@]1(C)CCN(C3CCNC3=O)C1)CC2,0,0,0,0
CCOc1cccc(-c2cc3cc(C(=N)N)ccc3[nH]2)c1O,0,0,0,0
COc1ccc2c3n(nc2c1)CCN=C3c1cc(Cl)c(N)c(Cl)c1,0,0,0,0
CC(C)C(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,1,0,0,0
COc1ccc([C@@H](Cc2ccccc2)NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c(OC)n1,0,0,0,0
Cc1cc(O)ccc1-n1cnc2cc(O)cc(O)c2c1=O,0,0,0,0
CN(C)CCCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0,0,0,0
Cc1cc(C)c(C#N)c(SCc2nc3ccccc3c(=O)[nH]2)n1,0,1,0,0
Cc1ccc(N2C(=O)CC(Sc3nccc(C)n3)C2=O)cc1,0,0,0,0
Cc1cc(Nc2nccc(-c3cn(C)cn3)n2)cc2cc(C(=O)N3CCN(C)CC3)[nH]c12,0,0,0,0
COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
COc1cc(C(=O)N(Cc2ccccc2)c2cccc(C)c2)ccc1OC(F)F,0,0,0,0
Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4OC(C)C)CC3)n2)ccc1F,0,0,0,0
C/C(=N\NC(=O)c1ccc(F)cc1)c1ccccn1,0,1,0,0
O=C(Nc1cccnc1)c1cc(-c2ccc(Br)cc2)nc2ccccc12,0,1,0,0
O=C(Nc1ccc(OCC(=O)N2CCOCC2)cc1)Nc1cccc(Cl)c1,0,1,0,0
CNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,0,0,0,0
Brc1cccc(Nc2ncnc3cnc(NCCc4ccccn4)cc23)c1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccc(OC)c(OC)c1)NC2,1,0,0,0
COc1cc(N=C2C(=O)N3CCCc4cccc2c43)cc(OC)c1,1,0,0,0
COc1cc(Cl)c(-c2nc(SCC(=O)NC(C)(C)C)nc3[nH]cc(C#N)c23)cc1O,0,0,0,0
O=c1cc(N2CCCCC2)[nH]c(=O)n1C1CCCCC1,0,0,0,0
Brc1ccc(-c2nnc3n2-c2ccccc2CC3)cc1,0,0,0,0
CCOC(=O)C1CCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)CC1,0,0,0,0
Cc1c(=O)n(Cc2ccccc2)c(=O)n2cc(C(=O)N3CCC(Oc4cccc(Cl)c4)CC3)sc12,0,0,0,0
Cc1ccc2[nH]c(-c3cccc(F)c3)cc(=O)c2c1,0,1,0,0
Cc1cc(C)c(S(=O)(=O)N[C@@H](C)COc2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C)c1,0,0,0,0
COc1ccc(Nc2nc(NCCCO)c3ccccc3n2)cc1,0,0,0,0
COc1ccc(C2C3C=CCC(C)C3C(=O)N2Cc2ccccc2)cc1Cl,0,0,0,0
COc1cc(Nc2c(C#N)cnc3cc(OCCCN4CCCN(C)CC4)c(OC)cc23)c(Cl)cc1Cl,0,0,0,0
CCCn1cc(CCc2ccccc2)c(C2CCN(C[C@H]3CN([C@@H](C(=O)O)C4CCCCC4)C[C@@H]3c3ccccc3)CC2)n1,0,0,0,0
CC(C)c1csc(Nc2ncc(Br)cc2OCc2ccccc2)n1,0,0,0,0
CCOC(=O)Nc1ccc2c(CN3C(=O)NC(CC)(CC)C3=O)cc(=O)oc2c1,0,0,0,0
OCC(O)CN1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1,0,0,0,0
CCc1nc2nc(C)cc(Nc3ccc(OC)cc3OC)n2n1,0,0,0,0
COCCOC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
O=C(O)CCn1c(SCc2cccc3ccccc23)nc2ccccc21,0,0,0,0
CCCNC(=O)C(=O)c1cccn1-c1ccsc1C(=O)OC,0,0,0,0
SC(COCc1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CCn1cnc2c1c(=O)n(CC(=O)NCC(F)(F)F)c(=O)n2Cc1ccccc1,0,0,0,0
Cc1ccccc1Cn1nc(C)c(NC(=O)c2cc3n(n2)C(C(F)F)CC(C(F)F)N3)c1C,1,0,0,0
c1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0,1,0,0
CCCOc1ccc(N2C(=O)CC(N3CC=C(c4ccccc4)CC3)C2=O)cc1,0,0,0,0
CCCC(c1nnnn1Cc1ccc(OC)cc1)N1CCC(C(N)=O)CC1.Cl,0,0,0,0
COC(=O)N1CCC2(CC1)CCN(c1ccccn1)CC2,0,0,0,0
CC1(C)CN(c2ccc(N3CC(C)(C)C3=O)cc2)C1=O,0,0,0,0
CC(=O)OCCCNc1cc(Sc2ccc(C)cc2)c2nonc2c1[N+](=O)[O-],1,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(NC(=O)C(N)C(C)C)CC1,0,0,0,0
CCc1c(C(=O)OCc2ccccc2)[nH]c(C)c1C,0,1,0,0
Cc1cccc(-n2cnc3cc(C(=O)N4CCCCCC4)ccc32)c1,0,0,0,0
CCn1c(SCC(=O)OC)nc2sc3c(c2c1=O)CCC3,1,0,0,1
Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)on1,0,0,0,0
COc1ccc(C(C)c2cc3c(cc2O)OCO3)cc1,0,0,0,0
CCCCOC(=O)Nc1ccc(N2CCOCC2)cc1,0,1,0,0
CN(C)S(=O)(=O)c1cccc(NC(=S)NN=Cc2cc(Br)ccc2O)c1,1,0,0,0
CC(NC(=O)c1ccccc1)c1nnc(SCC(=O)Nc2nnc(C3CC3)s2)n1C,1,0,0,0
CCSC[C@@](O)([C@@H](Nc1cccc2nc(C)ccc12)c1ccc(OC)c(F)c1Cl)C(F)(F)F,0,0,0,0
CCCCn1c(NC(=O)c2ccco2)c(C(=O)OCC)c2nc3ccccc3nc21,1,0,0,1
CC1=Nc2cc(C(=O)N3CCCCC3)ccc2Sc2ccc(C)cc21,1,0,0,0
CCOc1ccc2ccccc2c1C1NC(=O)N(C)C(C)=C1C(=O)OCCOC,0,0,0,0
O=C(c1cccs1)N1CCN(S(=O)(=O)c2cccs2)CC1,1,0,0,0
CCSc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccccc1,1,0,0,0
COc1ccc([C@@H]2c3nc(NC(C)C)ccc3[C@H](c3ccc4c(c3)OCO4)[C@H]2C(=O)O)c(OCc2ccccc2)c1,0,0,0,0
CC(C)(Cn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1)C(=O)O,0,0,0,0
CC(=O)Nc1ccc(N(C(=O)c2ccccc2)C2CCN(C(=O)OC(C)(C)C)CC2)cc1,1,0,0,0
O=C1C(Cl)=C(NCCNc2c3c(nc4cc(Cl)ccc24)CCCC3)C(=O)c2ccccc21,0,0,0,0
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1,0,0,0,0
CCOc1ccc2nc(COC(=O)c3cccc([N+](=O)[O-])c3)c(C(C)=O)[n+](O)c2c1,0,0,0,0
Cc1ccc(-c2cc(C(=O)N[C@@H](C)CO)cc(-n3c(=O)oc4ccccc43)c2)nc1,0,0,0,0
COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)c2ccccc2S3(=O)=O)cc1,1,0,0,0
CC(=O)N1CCN=C1SCc1ccc(Cl)cc1,0,0,0,0
CCc1cc(-c2n[nH]cc2-c2ccc([N+](=O)[O-])cc2)c(O)cc1OC,0,0,0,0
CN(c1ccccc1)[C@@H](c1ccccc1)[C@H](O)CN,0,0,0,0
O=C(O)c1ccc2cc(-c3ccc(C(O)CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1,0,0,0,0
N=C1SC(=Cc2ccccc2)C(=O)N1c1ccc(F)cc1,1,0,0,0
Cc1cc(C)nc(Sc2ccc3nsnc3c2[N+](=O)[O-])n1,0,0,0,0
COc1ccc(CN(Cc2nc3c(c(=O)[nH]2)COCC3)C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)cc1,0,0,0,0
COc1cc(C)c(CNc2cccc(C)c2)cc1C,0,0,0,0
COCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
CCC(=O)CCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
CC1=C(C(=O)O)C(c2cccc(Cl)c2)C(C(=O)OC/C=C/C2CCCCC2)=C(C)N1,0,0,0,0
CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1,0,0,0,0
CC[C@@]12C[C@@](C)(O)[C@](O)(c3ccc(C)cc3)C[C@H]1CCc1cc(O)ccc12,0,0,0,0
CCCC1(c2ccc(OC)cc2)c2cc(Cl)ccc2NC(=O)N1CC(F)(F)F,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cccnc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
CN1CCN(NS(=O)(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
O=S(=O)(c1ccc(O)c(O)c1)N(C1CCCCC1)S(=O)(=O)c1ccc(O)c(O)c1,0,0,0,0
Cc1cccc(N2C(=O)c3ccc(Br)cc3C2=O)n1,0,0,0,0
Cc1cccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)c1,0,0,0,0
COc1ccc(CN2CCC(=O)N(C(CO)c3ccccc3)CC2)cc1,0,0,0,0
CCCS(=O)(=O)N1CCN=C1SCc1cccc(C)c1,0,0,0,0
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(Cl)c1)c1ccncc12,0,0,0,0
CCOC(=O)c1cc(-c2csc(COc3ccc(Cl)cc3)n2)on1,0,0,0,0
Nc1cc[n+](Cc2ccc(OC(c3ccccc3)c3ccccc3)cc2)cc1,0,0,0,0
CC(C)Cc1scnc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
COC(=O)[C@H](Cc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)NC(=O)CCCCCCC(=O)NO,0,0,0,0
CCOc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OCC,0,0,0,0
O=S(=O)(c1ccccc1)N1CCc2cc(O)ccc2C1c1ccc(OCCN2CCCC2)cc1,0,0,0,0
CC(C)n1nc(-c2cnc(N)c(OC(F)F)c2)cc1C(C)(C)O,0,0,0,0
Cc1cccc(CC2CC(=O)N(c3ccc(C)cc3Br)C2=O)c1,0,0,0,0
O=C(O)C=CC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc23)nc1,0,0,0,0
Cc1cccc(Cn2c(N3CCN(c4ccccc4)CC3)nc3c2c(=O)n(C)c(=O)n3C)c1,1,0,0,0
CC(=O)N1CCOc2cc3c(cc21)CCN(CCCSc1nnc(-c2cccc4nc(C)ccc24)n1C)CC3,0,0,0,0
COc1ccc(C2C=CCN(C(=O)c3ccccc3)C(Cc3ccccc3)C(=O)N2Cc2ccc(F)cc2)cc1,0,0,0,0
COc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCC(F)F)c12,0,0,0,0
CCC1=NN2C(=N)/C(=C/c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1,0,1,0,0
COc1cc(S(=O)(=O)NCc2ccncc2)c(OC)cc1Cl,0,0,0,0
CCOc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
N#CC1(c2ccc(Cl)cc2)CCN(CCCNS(=O)(=O)c2ccccc2Cl)CC1,0,0,0,0
O=c1cc(CSc2nnc(-c3ccccc3)o2)c2ccccc2[nH]1,0,0,0,0
O=c1oc2ccccc2cc1-c1csc(NN=C2CCCC2)n1,1,0,0,0
N#CC1(CNCc2cccc(-n3cccn3)n2)CCN(C(=O)c2ccc(Cl)c(Cl)c2)CC1,0,0,0,0
Cc1nccc(Oc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)n1,0,0,0,0
O=C(NO)c1ccc(-c2ccc(CNCCc3ccc(F)cc3)cn2)s1,0,0,0,0
Clc1ccc(OCCN2CCCCC2)cc1Cl,0,0,0,0
COc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)c3c(C)oc(C)c3c(=O)c2)cc1OC,0,0,0,0
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cc(CO)cn4)cc[nH]c3=O)nc12,0,0,0,0
COc1cccc(-c2ccc3c(c2)C2(N=C(N)N(C)C2=O)C2(CCC(OC)CC2)O3)c1,0,0,0,0
O=S(=O)(c1ccc2c(c1)CN(S(=O)(=O)c1ccccc1)C2)c1ccc2c(c1)OCCO2,0,0,0,0
CCN(C(=O)OC)C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1,0,0,0,0
CCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
COC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
O=C(O)CCc1ccccc1CC1C2CCC(O2)C1c1nc(C(=O)OCCCCC2CCCCC2)co1,0,0,0,0
O=C(Nn1cnc2ccccc2c1=O)c1cccc(Cl)c1,0,0,0,0
Cc1ccsc1C(=O)OCC(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
O=C(C=Cc1ccco1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1,0,0,1,0
Cc1oc(-c2cccc(Br)c2)nc1CN(Cc1ccccc1)Cc1ccc(OC(C)(C)C(=O)O)cc1,0,0,0,0
CC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1,0,1,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N(C)C)cc1,0,0,0,0
O=C(Cn1c(=O)n(CC2CCCO2)c(=O)c2ccccc21)c1ccccc1,1,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccc(Br)cc2)CC1,0,0,0,0
COc1cccc(NCc2sccc2S(=O)(=O)Nc2onc(C)c2Br)c1,0,0,0,0
Cn1c2c(c3ccccc31)CC(=O)Nc1ccncc1-2,0,0,0,0
Cc1c(C(=O)O)oc2c1-c1nn(Cc3ccccc3Cl)cc1CC2,0,0,0,0
O=c1c2ccccc2ncn1-c1ccc(Cl)c(Cl)c1,1,0,0,0
CCC(c1nnnn1C(C)(C)C)N1CCN(c2cc(Cl)ccc2C)CC1,0,0,0,0
Fc1ccc(SCCCN2CCC(n3c(CC(F)(F)F)nc4cc(F)ccc43)CC2)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)F)cc3)n2)CCC(NCC(F)(F)F)CC1,0,0,0,0
Cc1[nH]c2nc(-c3ccccc3)nc(N[C@H](C)c3ccccc3)c2c1C,0,0,0,0
NC(=O)c1cc(Cl)cn(-c2ccccc2)c1=O,1,0,0,0
Cc1nc(N)nc2c1cc(-c1cccc(CO)c1)c(=O)n2C1CCCC1,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3cnn(CCN4CCOCC4)c3)c2)ccc1OC1CCOCC1,0,0,0,0
N#Cc1nc(-c2ccc(OCCC3CCNCC3)c(C(F)(F)F)c2)c2ccn(C3CCOC3)c2n1,0,0,0,0
CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21,0,0,0,0
COc1ccc(CN(CCN2CCN(C(=O)c3nc4ccccc4[nH]3)CC2)c2ccccn2)cc1,0,0,0,0
Cc1ccc(N2CCN(c3ccc(NC(=O)CCC(=O)O)cc3)CC2)cc1,0,0,0,0
CCOc1ccc(S(=O)(=O)c2cnc3ccccc3c2O)cc1,0,0,0,0
CCCCN(CC)CCCNC(=O)CC1Oc2ccccc2NC1=O,0,0,0,0
COc1ccccc1CCC(=O)OCC(=O)Nc1c(C)nn(-c2ccccc2)c1C,1,0,0,0
COc1cccc(NC(=O)Nc2cccnc2)c1,0,1,0,0
O=C(Oc1cccc(N2C(=O)CCC2=O)c1)C1CC(=O)N(c2ccc(F)cc2)C1,0,0,0,0
Cc1cc(NS(C)(=O)=O)ccc1-c1cnccc1OCC(F)(F)F,0,0,0,0
NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccccc3c2=O)cc1,0,0,0,0
Cn1c(CN2CCOCC2)nnc1SCc1cccc(F)c1,0,0,0,0
CCCCNC(=O)C1CSC2c3ccc(OC)c(OC)c3C(=O)N12,0,0,0,0
CCCOc1cc(NS(=O)(=O)c2ccc3c(ccc(=O)n3-c3cc(F)c(Br)cc3OC)c2)ncn1,0,0,0,0
Cc1cc(N(CCO)CCO)nc(-n2nc(C)cc2C)n1,0,0,0,0
CCOC(=O)c1nnc2c(Br)c(-c3ccccc3)nn2c1C,0,0,0,0
Cc1cc(C(=O)O)ccc1-c1ccc(Cl)c(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1,0,0,0,0
COc1cc(C=CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)ccc1O,0,0,0,0
COC1CCC(Nc2cc(N3CCCC3)nc3cc(-c4nc5c(nc4C)OCCC5)nn23)CC1,0,0,0,0
CCN=c1scc(-c2ccco2)n1/N=C/c1ccc(O)cc1,0,1,0,0
CN1C(=C2C(=O)OC(C)(C)OC2=O)Sc2ccccc21,0,1,0,0
CSC(=Nc1ccc(F)cc1)NS(=O)(=O)c1cccs1,0,0,0,0
Cc1ccc2[nH]c3c(c2c1)CN(C(=O)CN1CCN(Cc2ccc4c(c2)OCO4)CC1)CC3,1,0,0,0
Cc1cc(C)cc(NC(=O)C(CC(C)C)NC(=O)C2CCCCC2)c1,1,0,0,0
O=S(=O)(Cc1ccccc1)Nc1ccc2c(c1)CCN(Cc1ccn[nH]1)CC2,0,0,0,0
O=C(O)CNC(=O)c1ncc(-c2ccc(F)cc2)cc1O,0,0,0,0
CCN(CC)C(=O)C(=Cc1ccc(Br)cc1)NC(=O)c1ccccc1OC,1,0,0,0
CC(=O)Nc1ccc(C2Nc3ccccc3C(=O)N2C2CCCCC2)cc1,0,0,0,0
Cc1ccccc1-c1c(OCc2ncnn2C)nn2c(-c3ccccc3F)nncc12,0,0,0,0
N#Cc1c(-c2ccco2)cc(-c2ccccc2)[nH]c1=O,0,0,0,0
CN(C)c1ccc(N/C=C2\N=C(c3ccccc3)OC2=O)cc1,0,0,0,0
O=C1[C@@H]2Cc3c([nH]c4ccccc34)C(c3ccccc3)N2C(=O)CN1CCO,0,0,0,0
COc1ccc(-n2nc3c(N4CCC(C(=O)NC5CCCCC5)CC4)nnc(C)c3c2C)cc1,1,0,0,0
O=C(c1ccc(NS(=O)(=O)c2ccc3c(c2)OCO3)cc1)N1CCC(O)(Cc2ccccc2)CC1,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(F)cc2)nc2c(Br)cc(Br)cc12,0,0,1,0
CN[C@H]1c2cc3c(ccn3S(=O)(=O)c3ccccc3)cc2[C@@H]1CCO,0,0,0,0
CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(OC)cc2)CC1,0,0,0,0
COc1ccc(S(=O)(=O)NN=c2oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1OC,1,0,0,0
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n1cncn1,0,0,0,1
Cc1c(Cl)cccc1NC(=O)Nc1c[nH]c(=O)[nH]c1=O,1,0,0,0
O=C(Nc1ccccc1Cl)c1ccc(F)c(S(=O)(=O)NCc2ccc(Cl)c(Cl)c2)c1,1,0,0,0
Cc1cc(OCc2nc(-c3cnc(OC(C)C)nc3)c(-c3ccc(OC(F)(F)F)cc3)o2)ccc1OCC(=O)O,0,0,0,0
CNc1c(Br)cnc2nc(-c3ccc(N4CCOCC4)cc3)[nH]c12,0,0,0,0
CCC(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CCOc1cccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)c1,0,1,0,0
Cc1ccc(C2C=NN(c3ccccc3)C2=O)cc1,0,1,0,0
CC(C=Cc1ccccc1)=NNC(=O)CNC(=O)c1ccc2c(c1)OCO2,1,0,0,0
COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)c2ccccc2S3(=O)=O)cc1,1,0,0,0
COc1cc(-c2noc(C3CC(=O)N(c4ccc5c(c4)OCCO5)C3)n2)cc(OC)c1OC,1,0,0,0
COCC1CCN(C(=O)C2CCC(=O)N(Cc3ccc(Cl)cc3)C2)CC1,0,0,0,0
CCOc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1,0,0,0,0
Nc1n[nH]c(-c2ccccc2)c1-c1ccccc1,0,0,0,0
C#CCSC1=NC(C)=C(C(=O)OCC)C(c2cccs2)C1C#N,1,0,0,0
NNC(=O)Cn1c(-c2ccccc2)cc(=O)n2ncnc12,0,0,0,0
COC(=O)[C@H](C)[C@@H]1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21,0,0,0,0
COc1ccc(CCNC(=O)CCCCCN2C(=O)C3Cc4ccccc4CN3C2=O)cc1OC,1,0,0,0
O=C(CCl)NCCCCn1c(=O)[nH]c2ccc(Nc3cc(OC4CCOCC4)c([N+](=O)[O-])cc3Cl)cc21,0,0,1,0
O=c1ccc2cc(S(=O)(=O)Nc3ccccc3F)ccc2o1,0,0,0,0
CN(C(=O)CCCc1ccccc1)c1ccc(C(=O)NO)cc1,0,0,0,1
O=S(=O)(c1cccc(Cl)c1)c1nnn2c1nc(NCCc1ccccc1)c1sccc12,0,0,0,0
O=C1NC(=S)N/C1=C/c1ccc(-c2ccc3c(c2)C(=O)NCC3)s1,0,0,0,0
CCC1CSC(Nc2ccc(C(=O)/C=C/c3ccc(Oc4ccccc4)cc3)cc2)=N1,1,1,0,0
CCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
COc1cc(OC)cc(-c2cc(N)n(S(=O)(=O)Cc3ccccc3)n2)c1,0,0,0,0
Cc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1C,0,0,0,0
CC1CN(C(=O)c2cc(-c3cc(=NC4CC4)n4nc/c(=C\c5[nH]c(=O)[nH]c5O)c4n3)cs2)CC(C)O1,0,0,0,0
COc1cc2nccc(Oc3ccc(-c4cnc(Nc5ccc(C(F)(F)F)cc5)n(C)c4=O)cc3F)c2cc1OC,0,0,0,0
CC(C)(C)c1ccc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(OCCOC5CCCCC5)cc4F)ccc3C2)cc1,0,0,0,0
CCCCCNC(=O)NCCCC/C=C\CCCCCCc1noc(=O)[nH]1,0,0,0,0
CC(C#Cc1ccc(Cc2ccc(F)cc2)s1)N(O)C(N)=O,0,0,0,0
Brc1cc2ccncc2cc1OC1CCNCC1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(C)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
Cc1cnc(-c2cc(N3CCC(S(C)(=O)=O)CC3)ncc2Cl)c(C)c1,0,0,0,0
Cc1cc(OCCCN2CCCCC2)ccc1C1=NNC(=O)C2CC12,0,0,0,0
CNc1nc2[nH]c(-c3ccccc3)cc2c2c1ncn2C,0,0,0,0
O=C(CSc1nc2ccccc2c(=O)[nH]1)Nc1nc(-c2ccc(Br)cc2)cs1,0,0,0,1
CCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-],0,0,0,0
COc1ccc(CNc2nnc(NCc3ccc(OC)c(Cl)c3)c3cc(C#N)ccc23)cc1Cl,0,0,0,0
N#Cc1cccc(S(=O)(=O)Nc2cccc(-c3ccc(C(=O)c4cccc(O)c4)s3)c2)c1,0,0,0,0
O=NC1CCCCC1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-],0,0,0,0
C=C(C)C1Cc2c(C)nn(-c3cccc4ccccc34)c2C1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCC(N3CCN(c4ccccc4)CC3)CC2)cc1,0,0,0,0
O=C(O)Cc1cccc(-c2ccccc2OC(=O)c2cc(O)c(O)c(O)c2)c1,0,0,0,0
Cc1c(OCc2ccccc2)c(=O)ccn1Cc1ccc(F)cc1,1,0,0,0
CC(=O)NCC1CC(n2cc(-c3cccc(OCc4ccccc4)c3)c3c(NC(C)=O)ncnc32)C1,0,0,0,0
CCCCn1c(-c2ccco2)n[nH]c1=S,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)(F)F)CC4)c(C=O)nc32)ncc1C#N,0,0,1,0
CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)/C1=C\c1cccs1,0,0,0,0
CC(C)N(C)C/C=C/C(=O)N1CCc2c(oc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3c(C(F)(F)F)ccc(Cl)c3F)CC2)C1,0,0,0,0
COc1ccc(-c2cc3c(N[C@H]4CC[C@@](C)(NS(C)(=O)=O)C4(C)C)c(C(N)=O)cnn3c2)cn1,0,0,0,0
CCNC(=O)C(C)c1ccc(O[C@H]2CCN(c3ccnc(N(C)C4CC4)n3)C2)cc1,0,0,0,0
O=C(O)c1ccc2c(c1Sc1ccccc1)C(=O)c1ccccc1C2=O,0,0,0,0
O=c1[nH]c(O)c2c1c1c3cc(Br)ccc3nc1c1cccn12,0,0,0,0
CCOc1cc(=O)n(C)cc1-c1cc(N(Cc2cn(C)cn2)S(=O)(=O)CC)ccc1Oc1ccc(F)cc1F,0,0,0,0
O=C1CN(C(=O)COC(=O)CNS(=O)(=O)C=Cc2ccccc2)c2ccccc2N1,0,0,0,0
Cc1cc(-c2c(F)cc3c(=O)c(Cc4c(O)cc(O)cc4O)cn(C4CC4)c3c2F)cc(C)n1,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2OC)CC1,0,0,0,0
COc1ccccc1-c1cc(CN2CCC(C)CC2)ccc1Cl,0,0,0,0
Cc1c(C(=O)N2CCCCCC2)c(S(=O)(=O)NCc2ccccc2)c(C)n1C,0,0,0,0
CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(C)=O)=C1C,0,0,0,0
Fc1ccc(Cn2c(Nc3ccc(Oc4ncccc4C4CCOCC4)cc3)nc3ccccc32)cc1,0,0,0,0
CCOc1ccc(N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)N(CC(=O)OC)C2=S)cc1,0,0,0,0
Cn1c(-c2ccccc2C(F)(F)F)nnc1C12CCC(c3noc(C(C)(F)F)n3)(CC1)CC2,0,0,0,0
S=C(Nc1ccc(OCc2ccccc2)cc1)Nc1cccc(Cl)c1Cl,1,0,0,0
CCOc1ccc(OCc2ccc(C(=O)Nc3cccc(C)n3)o2)cc1,1,0,0,0
CCOC(=O)c1[nH]c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1C,0,0,0,0
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2cccc(Cl)c2)n(C)c1=O,0,0,0,0
CCOC(=O)c1[nH]c(C)c(C(=O)OCc2c(C)noc2C)c1C,0,0,0,0
CCOc1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl,0,1,0,0
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3ccccc3Cl)N2)cc1,0,0,0,0
CN(C)N1C(=O)CC(N2CCCCC2)C1=O,0,0,0,0
CC(=O)N[C@H](CCCN=C(N)N)C(=O)N[C@@H]1CCC(=O)NCCC[C@H](C(N)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2Cl)NC(=O)[C@@H]([C@H](C)OCc2ccccc2)NC1=O,0,0,0,0
C=CCNC(=S)N=CC1C(=O)NC(=O)NC1=O,0,0,0,0
CC(C)C(=O)Nc1ccc(N2CCCC2)cc1,1,0,0,0
CCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
COCCn1c(C)cc(C2=NNC(=Nc3ccccc3)SC2)c1C,0,1,0,0
COc1cc2ncc(C(N)=O)c(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCN(C)CC1,0,0,0,0
Cc1cccn2c(=O)c(/C=C(\C#N)C(N)=O)c(N3CCN(Cc4ccc5c(c4)OCO5)CC3)nc12,0,0,0,0
CC(O)C1NC(=O)C2CCCN2C1=O,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccccc4Cl)cn3)[C@H]12,0,0,0,0
COc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1,0,0,0,0
CCCCSc1nnc2[nH]c(=O)cc(N)n12,0,0,0,0
O=C1Nc2ccc(Cl)cc2C(CC(F)F)(c2ccc(F)cc2)N1CC(F)(F)F,0,0,0,0
c1ccn2c(c1)nc1c2nc2ccccn21,1,1,0,0
CN1C(=O)CC[C@]2(C)C3CC[C@@]4(C)C(CC[C@@H]4C(=O)N(C(=O)NC(C)(C)C)C(C)(C)C)C3CCC12,0,0,0,0
Cn1cnc2c(C#N)nc(-c3ccc(OCCC4CCN(Cc5ncco5)CC4)c(C(F)(F)F)c3)cc21,0,0,0,0
CCCCOC(=O)c1ccc(Nc2nc3ccc(C)cc3n3cnnc23)cc1,0,0,0,0
O=C(C[n+]1cc(-c2ccc(F)cc2)n2c1CCC2)c1cccs1.[Br-],0,1,0,0
NS(=O)(=O)c1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)Oc2ccccc2C=NNc2ccc(C(=O)O)cc2)cc1,0,0,0,0
Cc1cc(-c2nnc(SCc3cccnc3)o2)no1,0,0,0,0
Nc1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1,0,0,0,0
COc1cccc(/C=C/C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1,0,0,0,0
N#CC(CCCN1CCC(O)(c2cccnc2)CC1)(c1ccccc1)c1ccccc1,0,0,0,0
O=S(=O)(Nc1cc(Cl)ccc1N1CCCCC1)c1cccs1,0,0,0,0
NC(=O)C12CC3CC(C1)C(OC(=O)N1CC[C@H](Oc4ncc(F)cc4F)C1)C(C3)C2,0,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3ccc(N)c(OC)c3)nc2n1,0,0,0,0
COc1ccccc1NC(=O)C1=C(C)Nc2c(C(=O)Nc3ccc(F)cc3)cnn2C1c1cccc([N+](=O)[O-])c1,1,0,0,0
CC[C@@H](Nc1c(Nc2cc(Br)cc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1,0,0,0,0
COC(=O)c1ccc(COc2ccc(C=CC(=O)c3ccc(OC)c(CSCC(=O)O)c3)cc2OC)cc1,1,0,0,1
CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2ccc(CN)s2)c1,0,0,1,0
O=[N+]([O-])c1cccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)c1,0,0,0,0
COc1ccc(OCc2cc(C(=O)N3CCCC3)no2)c2ccccc12,1,1,0,0
Cc1noc(N)c1C1(O)C(=O)N(C(C)C)c2ccccc21,0,0,0,0
CCCCC(=O)NC(c1ccccc1OC)c1ccc2cccnc2c1O,0,0,0,0
COc1ccc(C(=O)c2ccccc2C(=O)c2ccccc2)cc1,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3cnn(CCn4cccn4)c3)n2)ccc1OC1CCOCC1,0,0,0,0
Cc1c(Cl)ccc2c1NC(=O)C21C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21,1,0,0,0
Cc1cc(F)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)C(C)=O)c(C=O)nc32)ncc1C#N,0,0,1,0
CC1CCCN(C(=O)c2ccc([N+](=O)[O-])o2)C1,0,0,0,0
NC(=O)COc1cc(-c2cn[nH]c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Oc1ccc2oc(-c3cc(Cl)c(O)c4ncccc34)cc2c1,0,0,0,0
CCC(=O)NC[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(F)c2)cn1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(N3CCOC(c4ccccc4)C3)cccc2c1,0,0,0,0
COc1cccc(-c2cc(C(=O)N3CCCc4ccccc43)no2)c1,0,1,0,0
O=C(c1ccc(Cl)cc1)C1C2C(=O)N(c3ccccc3)C(=O)C2C2c3ccccc3C=NN12,1,0,0,0
CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc12)c1ccc(Cl)c(Cl)c1,0,0,0,0
Cc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)ccc1F,0,0,0,0
CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCCCCCCCC3)CC2)S1(=O)=O,0,0,0,0
CC(C)(C)OC(=O)N1CC(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)C1,0,0,0,0
CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NC5CCN(C6CCOCC6)CC5)c([N+](=O)[O-])c4)c(Oc4cccc5c4CC(=O)N5)c3)CC2)=C(c2ccc(Cl)cc2)C1,0,0,0,0
O=C1NC2(CCCC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)NC/C=C\c2ccccc2OCCN[C@H]1Cc1ccccn1,0,0,0,0
COc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccc(C)c(C)c3)c12,1,0,0,0
CCOC(=O)C(C)Sc1ncnc2nc[nH]c12,0,0,0,0
Cc1cc(C)cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)nnc2C(N)=O)c1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(C)C4CCCOC4)n3)C2)cc1,0,0,0,0
CC(C)[C@@H]1NC(=O)Cn2nnnc2-c2csc(n2)CNC(=O)C[C@@H](/C=C/CCS)OC1=O,0,0,0,0
COc1ccc(C2CCC(=O)NC2C)cc1-c1ccc(C(F)(F)F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
COc1ccc(-c2nc(-c3ccccc3)c(-c3cc([N+](=O)[O-])ccc3C)[nH]2)cc1O,0,0,0,0
Cc1cccc(Nc2ncnc3cnc(Cl)nc23)c1,0,0,0,0
CCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(N)n3)cc2)[nH]1,0,0,0,0
COC(=O)c1c(C)oc(C)c1S(=O)(=O)NC(c1ccccc1)c1ccccc1,0,0,0,0
Br.Cc1nn2cc(-c3ccc(Cl)cc3)nc2s1,0,1,0,0
CC(=O)NCCNc1nc(-c2ccccc2C)nc2ccccc12,0,0,0,0
O=C(OCc1nc2ccsc2c(=O)[nH]1)c1cc(Br)c(Br)s1,0,0,0,0
C=CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,0,0,0
CCC(C)Sc1c(C(C)C)cnc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc([N+](=O)[O-])cc1,0,0,0,0
N=C(N)c1ccc(COc2ccc3c(c2)CCN(CC(=O)O)C3)cc1,0,0,0,0
COc1ccc(C2(c3ccc(OC)cc3)N=C(N)N(C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)cc1,0,0,0,0
COc1ccc(-c2cnccc2N2CCC(c3ncc(-c4cccc(C(F)(F)F)c4)[nH]3)CC2)cc1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2N)c1C,0,0,0,0
Cn1c(=O)c2c(nc(Sc3ccccc3N)n2C)n(C)c1=O,0,0,0,0
Cl.O=C(C1CCCN1)N1CCCC1P(=O)(Oc1ccc(NN2CCCC2)cc1)Oc1ccc(NN2CCCC2)cc1,0,0,1,0
CCSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
COc1cc2[nH]c(=S)n(CC3CCCO3)c(=O)c2cc1OC,0,0,0,0
O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ccn1CC(F)(F)F,0,0,0,0
CCCNc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
C=CC(=O)Nc1cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)cc(C(F)(F)F)c1,0,0,1,0
CO[C@H]1C(=O)N2C(C(=O)NCCC(=O)OC(C)(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12,0,0,0,0
CC12CN3CC(C)(CN(C1)C31C(=O)N(Cc3ccccc3)c3ccccc31)C2=O,0,0,0,0
Cc1cc2c(cc1N)S(=O)(=O)c1cc(N)c(C)cc1-2,0,0,1,0
CCC(CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O)SC(C)=O,0,0,0,1
CC#CCOc1ccc(S(=O)(=O)CC2(C(=O)NO)CCN(S(=O)(=O)c3c(C)noc3C)CC2)cc1,0,0,0,0
COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CC(C)CC1,0,0,0,0
CC(=O)Nc1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)CCNC(=O)c2ccc(Cl)cc2)nc1,0,0,1,0
C/C(=N\Nc1nc(Cl)c(Cl)cc1Cl)c1ccc(S(=O)(=O)NCc2ccco2)cc1,0,0,0,0
CC[C@@H](Cn1cc(C)c2ccccc21)NS(=O)(=O)c1c(N)cc(Cl)cc1Cl,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CC3)[nH]2)nc1,0,0,0,0
COc1ccc(-n2ncc(C(C)NS(=O)(=O)c3ccc(C)s3)c2C)cc1,0,0,0,0
COC/C=C/c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N,0,0,0,0
CCOc1ccc(N(C)S(=O)(=O)c2cc(-c3cc(C)no3)ccc2CC)cc1,0,0,0,0
O=C(O)c1cccc2c1Cc1cc(Cl)ccc1-2,0,0,0,0
CCCC(=O)NC(c1ccc(Cl)cc1Cl)c1ccc2cccnc2c1O,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(c1)OCCN2c1cccc(OC(F)(F)F)c1,0,0,0,0
COc1ccc(-c2nc3ccc(NCc4cccc(C)c4)cc3n(CCNC(C)=O)c2=O)cc1,0,0,0,0
Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4sc(C)nc4C)cs3)cc2)no1,0,0,0,0
CNc1nc(Nc2cc3cnn(C)c(=O)c3cc2OC)ncc1C(F)(F)F,0,0,0,0
CCCCCCCCCCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
COc1cc(C(O)P(=O)(OC(C)C)c2ccc(N(C)C)cc2)cc(OC)c1OC,1,0,0,0
Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1,1,0,0,0
NC(=O)c1c(NC(=O)CCCC(=O)O)sc2c1CCCCCC2,0,0,0,0
O=C(O)c1ccc(Cc2cc(Cl)ccc2OCc2ccccc2)o1,0,0,0,0
C=CC(=O)Nc1cccc(NC(=O)N(C)c2ccnc(Nc3ccc(N4CCN(C)CC4)cc3OC)n2)c1,0,0,1,0
CC(=O)N1CC(C)Oc2ccc(S(=O)(=O)NC(CC(=O)O)c3ccc(C)cc3C)cc21,0,0,0,0
CSc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc(-c4ccccc4)cn3)cc12,0,0,0,0
Cc1ccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2cccc(F)c2)cc1,0,0,0,0
O=C(Oc1ccccc1)N1CCC(c2nc(C3=NOC4(CCCc5ccccc54)C3)cs2)CC1,0,0,0,0
Cc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3C3(C)C(=O)N(c4cccc(Cl)c4)C(=O)N23)c1,1,0,0,0
c1cc2ccc3ccc(-n4cnnn4)c4ccc(c1)c2c34,0,0,0,0
CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccco2)cc1,0,0,0,0
CNC(=O)[C@@H](NC(=O)[C@H](CCc1ccccc1)CC(=O)NO)c1ccccc1,0,0,0,1
O=C(CSc1ncnc2c1oc1ccccc12)Nc1nc2ccccc2s1,1,0,0,0
COc1ccc(C=CCN2CCN(Cc3ccccc3)C(CCO)C2)cc1,1,0,0,0
O=C1CC(C=Cc2ccccc2)(C(=O)NC2CCCC2)N1c1ccc(S(=O)(=O)N2CCCC2)cc1,1,0,0,0
Clc1cc(Cl)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
CC(C)c1ccc2c(c1)N=C(c1ccc(F)cc1)NC(c1cccs1)=N2,0,0,0,0
CCc1sc(C(=O)Nc2cc(Cl)ccc2N2CCCCC2)cc1C,1,0,0,0
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)cnn2-c2ccc(F)cc2F)CC1,0,0,0,0
NC(N)=NCCC[C@@H]1NC(=O)[C@H](CCC(=O)O)NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC1=O,0,0,0,0
CCCc1nc2oc3c(NCC4CCCO4)ncnc3c2c2c1COC(C)(C)C2,1,0,0,0
O=S(=O)(NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl,0,0,0,0
COc1cc(CNc2nnc[nH]2)ccc1OCC(=O)NC(C)(C)C,0,0,0,0
Cc1[nH]nc2ncc(C(=O)c3cc(F)ccc3O)cc12,0,0,0,0
CCOc1ccccc1N(CC(=O)N1CCC(C)CC1)S(=O)(=O)c1ccc(C)cc1,1,0,0,0
COCCCn1cc(Nc2cc(-c3ccc(OC4CCOCC4)c(C#N)c3)ccn2)cn1,0,0,0,0
Cc1nc2c(Cl)cccc2n1-c1cccc(Oc2cccc(S(=O)(=O)C(C)C)c2)c1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCc3ccccn3)c(C(=O)O)c2)c1,0,0,0,0
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3nc4c(c(N)c32)CCCC4)cc1,0,0,0,0
Cc1cccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)c1,1,0,0,0
Cc1cccc(S(=O)(=O)NCCN=C(N)N2CCC(C)CC2)c1,0,0,0,0
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(=O)c2ccc(Br)cc2)CC1,1,0,0,0
COC1CCC2(CC1)Cc1ccc(C#CC3CC3)cc1C21N=C(N)N(Cc2cnc3ccccc3n2)C1=O,0,0,0,0
NC(=O)COCC(=O)NCCOCCOCCOCCNC(=O)[C@@H]1CSCC(=O)N[C@@H](CCCCNC(=O)COCC(=O)NCCOCCOCCOCCOCCOCCNC(=O)CONC(=O)c2ccc(F)nc2)C(=O)N[C@H]2CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC2=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)C1,0,0,0,0
Clc1ccc(-c2ccc(CNCC3CCCO3)o2)cc1,0,0,0,0
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(OC)c1O,0,0,0,0
O=C1C(NS(=O)(=O)c2cccs2)=C(N2CCN(c3cccc(C(F)(F)F)c3)CC2)C(=O)c2ccccc21,1,0,0,0
COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5ccc(C(C)=O)cc5)CC4)c23)cc1,1,0,0,0
CCn1c(O)c(/C=C2\C=NN=C2c2ccc(C)cc2)sc1=S,1,0,0,0
O=C(CSc1nc2n[nH]cc2c(=O)n1-c1ccccc1Br)NCc1ccco1,1,0,0,0
CC1Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)O1,0,0,0,0
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(Cl)cn5)n4)c3CO)ncc2c1,0,0,0,0
S=c1nc(NCc2ccc3c(c2)OCO3)c2ccccc2[nH]1,0,0,0,0
Oc1cc(Br)cc2c1Oc1cc(Br)cc(Br)c1O2,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(Cl)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
CN(C(=O)C(F)(F)F)[C@@H]1C(=O)N2[C@@H](C(=O)OCc3ccccc3)C(C)(C)S(=O)(=O)[C@H]12,0,0,0,0
CC/C(=N\NC(=S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1,0,0,0,0
Cc1ccc(SCc2nc(-c3ccc(C(=O)NCc4ccccc4Cl)cc3)oc2C)cc1,1,0,0,0
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(N)=O,0,0,1,0
N#CC(C(=O)NCc1ccccc1)=C1N=C(NC(=O)c2cccs2)c2ccccc21,1,0,0,0
Cc1nn2c(N3CCCC3)c3c(nc2c1-c1ccccc1)CCC3,0,0,0,0
CS(=O)(=O)N1CCN(C(=O)c2csc3ccccc23)CC1,0,0,0,0
O=C(O)CCCCCCCCn1ncc(-c2ccccc2)c1-c1ccccc1,0,0,0,0
COC(=O)c1ccc(OCCn2cnc3ccccc3c2=O)cc1,0,0,0,0
CCOC(=O)CC(c1ccc2c(c1)CCO2)N(Cc1ccc(OCCN2C(=O)CCC2=O)c(OC)c1)CC(C)C,0,0,0,0
CC1(C)OB(c2ccc(NS(N)(=O)=O)cc2)OC1(C)C,0,0,0,1
O=C1NC(=O)C2(Cc3c(nc4ccccn4c3=O)N3CCCCCC32)C(=O)N1Cc1ccccc1,0,0,0,0
CS(=O)(=O)N[C@@H](c1ccc(CNC[C@H]2COc3cccnc3O2)cc1)C(F)(F)F,0,0,0,0
O=C(c1ccncc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(Cl)c4)nn23)CC1,0,0,0,0
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccccc3OC)n1)CCN(CC(=O)N(C)C)CC2,0,0,0,0
CC(=O)Nc1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
CC(C)Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(O)c1ccc2c(c1)nc(NCCc1cccc(F)c1)c1ccncc12,0,0,0,0
Cc1ccc(-c2nc3ccccn3c2Nc2ccccc2C)s1,0,0,0,0
CC(C)n1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccccc5Cl)nc(N)n4)c3c2)cn1,0,0,0,0
O=C(O[C@H]1CN2CCC1CC2)[C@@](O)(c1ccccc1)c1cccs1,0,0,0,0
COc1cc(C2C(N3C(=O)c4ccccc4C3=O)C(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC,1,0,0,0
CO[C@H]1C[C@@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@H]([C@H](C)C[C@@H]2CC[C@@H](OCCO)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C/1C,0,0,0,0
c1ccc(Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1,0,0,0,0
CCCOc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1,1,0,0,0
Cc1ccc(N2/C(=N/c3nc(C)cc(C)n3)NC(=O)CC2C(=O)O)cc1,0,0,0,0
CCc1ccc(-c2nccc(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,0,0,0,0
Cc1noc(C)c1C(=O)N1CCc2ccccc2C1,0,0,0,0
O=[N+]([O-])c1ccc(SCC(O)CO)c2nonc12,0,0,0,0
CC(C)(C)c1ccc(CNc2ccc(S(N)(=O)=O)cc2)cc1,0,0,0,0
Cc1cc(C)nc(-n2nc(C)c3c2N(Cc2ccccc2)C(=O)CC3c2ccc(Cl)cc2)n1,1,0,0,0
Cn1c(C(=O)N2CCN(c3nc4ccccc4s3)CC2)cc2sccc21,1,0,0,0
COCc1cccc(NS(=O)(=O)c2ccc(OC)c(N3CCCNCC3)c2)c1,0,0,0,0
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1csc(N)n1)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(N)=O,0,0,0,0
CCOC(=O)c1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)cc1,0,1,0,0
O=C1C[C@H](NC(=O)[C@@H]2CCc3nc4cc(-c5ccccc5Cl)[nH]c4c(=O)n32)C(O)O1,0,0,0,0
Cc1cc(Cl)ccc1-n1c(CCC(=O)O)ccc1-c1cccs1,0,0,0,0
COc1ccc(CCN(CC(=O)NC(C)(C)C)C(=O)Cn2nnc(-c3ccc(C)o3)n2)cc1OC,1,0,0,0
CCOC(=O)/C=C/CNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0,0,1,0
CCc1cccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1,1,0,0,0
Fc1c(-c2n[nH]c3ccnc(OC4CCOCC4)c23)ccnc1N1CCOCC1,0,0,0,0
CC(=O)Nc1cccc(C(=O)OCCCOc2ccc(F)cc2)c1,0,0,0,0
CCN(CC)CCCNC(=O)C1c2ccccc2C(=O)N(CCOC)C1c1ccc(F)cc1,0,0,0,0
O=c1c2cccnc2n(Cc2cccc(F)c2)c(=O)n1Cc1ccccc1Cl,0,0,0,0
Fc1ccc2c(c1)[C@@H](OCc1ccc(Cl)cc1Cl)[C@@H](Cn1ccnc1)S2,0,0,0,0
Cc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c(C)c1,1,0,0,0
Cc1cccc2cc(-c3nc4c(C)cccn4c3NCc3ccco3)c(=O)[nH]c12,0,0,0,0
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1c(F)cccc1-c1ncccn1,0,0,0,0
CC1=CC(C)(C)Nc2ccc3c(c21)C(c1ccccc1)Oc1ccccc1-3,0,0,0,1
Brc1cccc(Nc2ncnc3c2sc2ncccc23)c1,0,0,0,0
CN(C1=NC(=O)NC(=O)C1)c1ccccc1,0,0,0,0
O=C1N(Cc2cccnc2)C[C@@H]2C[C@@H](c3ccccc3C#Cc3ccccc3)N3CCC[C@@]123,0,0,0,0
O=c1nc(OCC2CCCO2)cc2n1CCc1cc(-c3ccc4ccccc4c3)ccc1-2,0,0,0,0
CC(=O)c1cccc(CN2CCN(Cc3ccc(F)cc3)C(CCO)C2)c1,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccc(F)cc12,0,0,1,0
COc1cc(C(=O)Nc2nc(-c3cccs3)cs2)cc(OC)c1OC,1,0,0,0
CCNc1ncc2ncc(=O)n(C3CC3)c2n1,0,0,0,0
C=CC(=O)Nc1cccc(CNc2c(C(N)=O)cnn3cccc23)c1,0,0,1,0
COc1ccc(-c2noc(CC(=O)O)c2-c2ccc(OC)cc2)cc1,0,0,0,0
CC1CCCCN1C(=O)COC(=O)c1ccc2ccccc2n1,0,1,0,0
Cc1cc2oc(=O)cc(CN3CCOCC3)c2c(C)c1Cl,0,0,0,0
O=C1NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O,0,0,0,0
CCc1cccc2c1-c1ccc(C(=O)NC(=N)N)cc1C2O,0,0,0,0
Cc1sc(C)c2c1CCc1cnn(C)c1-2,0,0,0,0
COC(=O)CN(c1ccc(Cl)cc1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1,0,0,0,0
CCC(=O)N(Cc1ccco1)c1nc(-c2cc(OC)ccc2OC)cs1,0,0,0,0
O=C(c1nc2ccccc2[nH]1)N1CCC(c2nccnc2-c2ccccc2)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3nc(C)c([N+](=O)[O-])c3C)CC2)c(C)c1,1,0,0,0
CCCCNc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2cccc3ccccc23)NC1=O,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2C)c1,0,0,0,0
O=C(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N(c1ccccn1)C1CCCCC1,0,0,0,0
CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccc(OCc2ccccc2)cc1,0,0,0,0
CC1=CC(=O)OC1C1(C)CC2OC(=O)CC3C(C)C(=O)C(O)=C1C23CO,0,0,0,0
Cc1nc(N[C@@H](C)C(C)(C)C)cc(-c2ccc3ncsc3c2)n1,0,0,0,0
COc1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1C(=O)O,0,0,0,0
CC1CCCN(S(=O)(=O)c2ccc(NC(=O)Cn3nnc(-c4ccccc4F)n3)cc2)C1,1,0,0,0
Cc1ccccc1-n1c(=O)c2ccccc2n(Cc2ccc(F)cc2)c1=O,0,0,0,0
Cn1cccc1C(=O)c1cc(C(C)(C)C)c2c(c1)C(C)(C)CO2,0,0,0,0
COc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1,0,0,0,0
CCOC(=O)c1cn2nc(Oc3ccc(C(=O)OC)cc3)ccc2n1,0,0,0,0
CCCCCCC(Sc1nc(Cl)cc(Nc2nc(-c3ccc(C)cc3)cs2)n1)C(=O)O,0,0,0,0
CS(=O)(=O)c1ccc(-c2[nH]c3ncnc(NC[C@@H]4CCCO4)c3c2-c2ccccc2)cc1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2)on1,0,0,0,0
COc1cc(N2CCNC(=O)C2)ccc1-c1nc2snc(C3CCCCC3)c2c(=O)[nH]1,0,0,0,0
Cc1ccc(NS(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)cc1C,0,0,0,0
CCCCc1ccc(NC(=O)Nc2cccnc2)cc1,0,1,0,0
O=c1[nH]c2c(c(=O)[nH]1)CCC2,0,0,0,0
COc1ccc(-c2cccc3c2CCN2C(=O)CN=C(n4cnc(C5CC5)c4)C=C32)cn1,0,0,0,0
CC(C)(C)c1ccc(Cn2nc(CC(=O)O)c3ccccc3c2=O)cc1,0,0,0,0
COC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12,0,0,0,0
O=C1c2ccccc2C2CNCCN12,0,0,0,0
[C-]#[N+][C@H]1C[C@@H](C(C)(C)O)CC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(Cl)cc2)n1,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(F)cc1,0,0,0,0
O=C(NS(=O)(=O)NCCCO)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccc(O)cc2)c2ccc(Cl)cc2)CC1,0,0,0,0
CCCCCCCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(CCNC[C@H](O)c4cccnc4)cc3)cc2)no1,0,0,0,0
O=c1nc(SCc2ccccc2)n(CCc2cccs2)cc1Cc1cncnc1,0,0,0,0
CCn1c(CCC(=O)Nc2nc3c(s2)CCCC3)nc2cc(S(=O)(=O)N(C)C)ccc21,1,0,0,0
O=C(O)CCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
C[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N([C@@H](CN(c2ccccc2)S(=O)(=O)C2CC2)C2CC2)C1=O,0,0,0,0
CNC[C@H]1Oc2ccc(NC(=O)Nc3ccccc3)cc2CC(=O)N([C@H](C)CO)C[C@H]1C,0,0,0,0
Cc1ccc(CO)cc1N(C)c1ccnc(Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)n1,0,0,0,0
CC1CCCCN1S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CCC(=O)O,0,0,0,0
COC(=O)C1CN(C(=O)c2cnc(Oc3ccc4c(c3)CC[C@@H](c3ccccc3)O4)s2)CC1C,0,0,0,0
CCCc1cnc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)nc1,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2ccc3c(c2)N=C(CC)c2cc(C)ccc2S3)CC1,1,0,0,0
O=C(C=C1SC(=O)N(CC(=O)Nc2ccc(F)cc2)C1=O)Nc1ccc(Cl)cc1,1,0,0,0
COc1ncc(-c2ccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)cc2)cn1,0,0,0,0
COC(=O)c1ccc(C=C2C(=O)Oc3ccccc32)cc1,0,0,0,0
O=C1NCc2ccc(OCCCCN3CCN(c4cccc5c4CCO5)CC3)cc21,0,0,0,0
O=S(=O)(Nc1ccc2c(CCC3CCN(Cc4ccccc4)CC3)noc2c1)c1ccccc1,0,0,0,0
Cc1cc(C(=O)Oc2ccccc2C(=O)O)c(C)o1,0,0,0,0
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21,1,0,0,0
O=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccccc21,0,0,0,0
CN(Cc1cccc(-c2cnc(N3CCOC(CO)C3)nc2)c1)C(=O)CN,0,0,0,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)nn2c1NCCC2c1cccc(N)c1,0,0,0,0
COc1cc(N2CCOCC2)ccc1Nc1ncc2cccc(-c3ccccc3)c2n1,0,0,0,0
COCC=CC1=CC2=CC(=O)C(C)(OC(=O)c3cnc4ccccc4n3)C(=O)C2=CN1CCc1ccccn1,0,0,0,1
CC(C)(C)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CCCCCc1ccccc1-c1ccc(OC(Cc2ccccc2)C(=O)O)cc1,0,0,0,0
COC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1,0,0,1,0
Cn1c(CN2CCC(C(C)(C)O)CC2)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ncc34)nc21,0,0,0,0
CCOC(=O)C1(C)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(OC)cc3)C(=O)C21,0,0,0,0
CCC(=O)N1CCN(c2nc(C)nc3sc(C)c(C)c23)CC1,0,0,0,0
COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2cc(C)ccc2C)CC1,0,0,0,0
CCCCC12CCC(=O)C(c3ccco3)=C1c1ccc(O)cc1C2,0,0,0,0
CCC(NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(CC)C(=O)O)ccc1-2)C(=O)O,0,0,0,0
COc1ccc(C2=NCc3nnc(C)n3-c3ccc(Cl)cc32)cc1Cl,1,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3cccc(OC)c3)CC2)c([N+](=O)[O-])c1,0,0,0,0
CCOc1cccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
CCC(C(=O)Nc1cccc(-c2cn3cccnc3n2)c1)c1ccccc1,1,0,0,0
CC1=CN2C(=N)/C(=C/c3ccc(Sc4ccc(C)cc4)o3)C(=O)N=C2S1,1,1,0,0
CCCOC1CN(C)CCN1c1cccc(Nc2nnc3cc(-c4c(C)cccc4C)cc(C)c3n2)c1,0,0,0,0
Cc1cccn2c(=O)n(CCc3ccc4ccccc4n3)nc12,0,0,0,0
CCc1nn2c(C)cc(C)nc2c1Cc1ccc(-c2nnc(C3CCC(N)CC3)o2)cc1,0,0,0,0
CCN(CC)C(=O)c1cccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)c1,0,0,0,0
CCCNc1nc(SC)nc2c1cnn2CC(Cl)c1ccc(F)cc1,0,0,0,0
CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1,1,0,0,0
Nc1nc(CN2CCc3ccccc3C2)nc(Nc2ccccc2)n1,0,0,0,0
C=CCn1c2c(c3cc(C(=O)N4CCC(C)CC4)ccc31)CN(C1CCSC1)CC2,0,0,0,0
CC(C)N1CCN(CC2COc3ccccc3O2)CC1,0,0,0,0
COc1ccc(-c2ccc(OCCN(C)CC(=O)O)c(C(=O)c3cccs3)c2)cc1,0,0,0,0
O=C(NCCCCCCNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C1=CC2C=CC1CC2,0,0,1,0
COCC(=O)OCn1nnc2ccccc2c1=O,0,0,0,0
CCc1ccc(CNCCSc2nnnn2C)cc1,0,0,0,0
N#Cc1ccc(C(c2ccc3cc[nH]c3c2)n2cncn2)cc1,0,0,0,0
COc1ccc(N2CCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
COc1ccc(OC)c(N(CC(=O)N2CCC(C)CC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,1,0,0,0
Clc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1Cl,0,0,0,0
COc1cc2[nH]c(=S)n(N(C(C)=O)C(C)=O)c(=O)c2cc1OC,0,0,0,0
NC(=O)c1cccc2[nH]c(-c3ccc(C4CCCN4)cc3F)nc12,0,0,0,0
CC(C)(C)NC(=O)NC(=O)CSc1nnc2ccccn12,0,0,0,0
CC(C)(C)NC(=O)N1CCn2c(Cl)c(-c3cccc(OC(F)(F)F)c3)c(C(N)=O)c2C1,0,0,0,0
COc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1C,0,0,0,1
Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3OC(C)CCN)c12,0,0,0,0
Nc1nc(N)c2nc(-c3ccccc3)c(N)nc2n1,0,0,0,0
CC(C)(CO)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,0,0,0,0
CC(C)C(C)(C#N)NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1,1,0,0,1
COc1ccc(CNS(=O)(=O)c2cnc(N)nc2)c(OC)c1,0,0,0,0
Oc1ccc(CNc2ccccc2O)cc1,0,0,0,1
COc1cc(/C=N/NC(=O)c2ccc(COc3cc(C)ccc3C(C)C)cc2)cc(OC)c1O,1,0,0,0
O=c1[nH]c(=S)[nH]c(O)c1/C=C1/C=c2ccccc2=N1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)C)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C1N=c2ccccc2=C1c1sc(NS(=O)(=O)c2ccccc2)nc1O,0,0,0,0
O=C(O)CC1S/C(=N/N=C/c2ccc(Br)cc2)N(c2ccccc2)C1=O,0,0,0,0
CCOC(=O)N1CCN(C(=O)CN2C(=O)COc3ccc(C(C)(C)C)cc32)CC1,1,0,0,0
Cc1ccsc1C(=O)OCC(=O)c1cc(C)n(C)c1C,0,0,0,1
CC(C)C[C@H]1NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2cnc[nH]2)NC(=O)CNC(=O)[C@@H](N)CCCN=C(N)NC(=O)[C@H](N)C2(CCCCC2)SSC[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC1=O,0,0,0,0
OC1CN(CCCOc2ccccc2)CCc2cc(OCc3ccccc3)ccc21,0,0,0,0
CCCCc1c(-c2ccc(O)cc2)[nH]c2nccnc12,0,0,0,1
COc1ccc2[nH]c(C(=O)c3cc(C)ccn3)c(CC(=O)O)c2c1,0,0,0,0
N#Cc1ccc(-c2cccc([C@H]3C[C@@H]3CN)c2)cc1,0,0,0,0
O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)c3ncc(CCCCc4ccccc4)[nH]3)cc2)S(=O)(=O)N1,0,0,0,0
CC(C)n1ncc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)nc21,0,0,0,0
O=C(c1cccc(F)c1)N1CCCC(C(=O)N2CCCCC2)C1,0,0,0,0
Oc1ccc(-c2csc(-c3cccc(O)c3)n2)cc1,0,0,0,0
O=S(=O)(NCc1ccncc1)c1ccccc1,0,0,0,0
OCCC1CN(Cc2cccn2-c2ncccn2)CCN1Cc1ccccc1,0,0,0,0
COc1cc(/C=N/NC(=O)COc2c(C)cc([N+](=O)[O-])cc2C)ccc1OC(=O)c1ccccc1Br,1,0,0,0
O=S(=O)(c1cc(Cl)cc(Cl)c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1,0,0,0,0
Clc1ccc(OCCCCCN2CCCC2)c(Br)c1,0,0,0,0
CCNC(=O)CN1C(=O)C(C)(c2cc(F)cc(F)c2)Oc2ccc(-c3c(N)nc(N)nc3CC)cc21,0,0,0,0
COc1cc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)ccc1F,0,0,0,0
CC(C)COc1cc(OC2CCN(C)CC2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1,0,0,0,0
Clc1ccc(-c2nn(Cc3ccccc3)c3c2CNCC3)cc1,0,0,0,0
COc1ccc(C[C@H](NC(=O)OCc2ccccc2)C(=O)NCC#N)cc1,0,0,1,0
Cc1nc(NCC2CC2)c2nnn(Cc3ccccc3)c2n1,0,0,0,0
CC(C)c1c(O)[nH]c(SCc2ccccc2)nc1=O,1,0,0,0
CN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccccc3)c3ccccc23)C1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(OC(C)C)cc21,0,0,0,0
CCCCCCCN(C)C(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
CCC1(Cc2ccccc2)C(=O)N(c2ccccc2)C1=O,0,0,0,0
CN1CCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(Br)s3)cc2)CC1,1,0,0,0
Cn1nnc2ccc(C(c3ccc(OS(N)(=O)=O)cc3)n3cncn3)cc21,0,0,0,0
O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOCCOCCOCCO2,0,0,0,0
Cc1ccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)cc1C,0,0,0,0
CCC(C)C1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
Cc1nonc1-c1ccc2c(c1)OCO2,0,0,0,0
Cc1nnc2n1-c1sc(C#CCn3ccc4ccccc4c3=O)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
Cc1ccccc1CSc1nnc(-c2cccnc2)n1N,0,0,0,0
COc1ccccc1-c1nnc(NC(=O)c2cccc(N3C(=O)CCC3=O)c2)o1,0,1,0,0
Cc1cc(N2CCN(c3nc(-c4ccccc4)cs3)CC2)c2ccccc2n1,0,0,0,0
CC(C)Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cccc(S(C)(=O)=O)c2)c1,0,0,0,0
Cc1cnc(CNc2cc(-c3ccccc3C)ncn2)cn1,1,0,0,0
O=c1c2ccccc2nc(-c2ccc(OCCCN3CCCCC3)cc2)n1-c1ccccc1,0,0,0,0
CC(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
CCN(C)c1ccc(S(=O)(=O)NC)cc1Nc1ncnc2[nH]ccc12,0,0,0,0
Cn1c(SCc2nnc(-c3ccccc3Br)o2)nc2sc3c(c2c1=O)CCC3,1,0,0,0
Cc1[nH]c(SCc2ccccc2)nc(=O)c1CC(=O)OCC(C)C,0,0,0,0
COc1ccc(Cl)cc1C(=O)Nn1c(C)nc2ccccc2c1=O,0,0,0,0
CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccc(F)cc3)C(=O)C21,0,0,0,0
Cc1cn2cc(C(=O)N3C(C)CCC3C)cc2c(C#Cc2ccsc2)n1,0,0,0,0
NC(=O)c1ccc2nc(-c3ccc(OCCC4CCCCN4Cc4ccccc4)cc3)[nH]c2c1,0,0,0,0
COc1ccc(/C=C2\N=C(c3ccccc3Cl)NC2=O)cc1,0,1,0,0
Nc1ncc(-c2cc(C3[C@H]4CN(C5COC5)C[C@@H]34)n(C3CC3)n2)cc1C(F)(F)F,0,0,0,0
COc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)o2)cc1,0,1,0,0
COc1cc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(OCCN(C)C)nc4)c3c2)cc(Cl)c1O,0,0,0,0
COCCOC(=O)C1=C(C)NC(=O)NC1c1cccc(F)c1,0,0,0,0
C=CC(=O)Nc1cccc(-n2c(=O)ccc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
O=C1CC2(CCCC2)CC(=O)N1CCCCN1CCN(c2ncccn2)CC1,0,0,0,0
Cc1c(N/C(=N/S(=O)(=O)c2ccccc2)c2ccc(Cl)cc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
O=C(O)c1nc2ccccc2n(C2C[C@H]3CC[C@@H](C2)N3C2C3CCCC2CCC3)c1=O,0,0,0,0
CCOC(CC(=O)O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cc1,0,0,0,0
NC(=O)C1CC2(CC(c3cccc(NC(=O)C4CCC(=O)N4)c3)=NO2)CN1C(=O)CC(c1ccccc1)c1ccccc1,1,0,0,0
Cc1nc2c(Cl)cccc2n1-c1cc(Oc2cccc(S(=O)(=O)C(C)C)c2)ccc1Cl,0,0,0,0
CC1=C(c2ccc(O)cc2)C(=O)c2c(O)cc(O)cc21,0,0,0,0
O=C(O)CCCOc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
COc1ccc(Cc2cc([C@@H]3OC(CO)(CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CSc1ccccc1NS(=O)(=O)c1cccc2nonc12,0,0,0,0
CS(=O)(=O)C1(c2nc(-c3cccc4[nH]ccc34)nc3c2OC[C@@H]2COCCN32)CC1,0,0,0,0
CN(C)CC(c1ccc(C(F)(F)F)cc1)N1CCN(c2ncnc(N)c2-c2ccc(N)nc2)CC1,0,0,0,0
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)O)C1=O,0,1,0,0
O=C(c1cc(Cl)nc2ccccc12)N1CCc2ccccc2C1,0,0,0,0
CC(=O)Nc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
CCOc1ccc(C(=O)N2CCCC2C(=O)O)cc1,0,0,0,0
COCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(F)c3)C2)CC1,0,0,0,0
O=C(CSc1nc2ccccc2[nH]1)N1CCCCC1,0,1,0,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(C(=O)c3ccccc3)cc2)n1,0,0,0,0
CCCCCc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-],0,0,0,0
CCc1nnc2c(Nc3ccc(N(CC)CC)cc3C)nc3ccccc3n12,0,0,0,0
COc1ccc(C(CNC(=O)CSc2ccc(Br)cc2C)N2CCOCC2)cc1,1,0,0,0
COCCCNC(=O)c1oc2c(c1C)-c1nn(Cc3ccccc3Cl)cc1CC2,0,0,0,0
CCOc1ccc(C)cc1-c1cc2nc(N)nc(N)c2cc1C,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)N1CCCCC1C)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
Clc1ccc(-c2c(C3=NCCCN3)nnn2-c2ccc(Cl)cc2)cc1,0,0,0,0
Cn1cc(-c2ccc3nnc(Sc4ccc5ncc(N6CCC7(CCOCC7)C6)cc5c4)n3c2)cn1,0,0,0,0
O=C(OCCCOc1ccc(F)cc1)c1ccc(O)cc1O,1,0,0,0
CCc1cccc2c(C(=O)COC(=O)C3=NNC(=O)CC3)c[nH]c12,0,0,0,0
NC(=O)C1CCN(C(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3(=O)=O)CC1,1,0,0,0
COc1ccc(C(=O)N2CCCC(C(=O)c3ccccc3OC)C2)cc1OC,0,0,0,0
O=C(c1cc2nc(C3CC3)cc(C(F)F)n2n1)N1CCOCC1,0,0,0,1
CCc1cc(-c2noc(-c3cc(OC)nc(C4CCCC4)c3)n2)cc(C)c1OC[C@@H](O)CNC(=O)CO,0,0,0,0
CCOC(=O)Nc1sc2c(c1C#N)CCC(C)C2,0,1,0,0
O=C(CSC1=NNC(c2ccccn2)S1)Nc1cccc(Cl)c1,1,0,0,0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCC(F)(F)CC4)cc3)ncc2c1=O,0,0,0,0
COc1cc2c(cc1OC)C1OC(c3ccsc3)(C2)OC2=C1C(=O)OC1(CCCCC1)C2,0,0,0,0
CCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1,0,0,0,0
ClC1(CNc2ccccc2)CCN(Cc2ccccc2)CC1,0,0,0,0
COc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1,0,0,0,0
COc1ccc2cc(S(=O)(=O)NCc3cccnc3)ccc2c1,0,0,0,0
O=C(Nc1nccs1)c1ccc(Br)cc1,0,1,0,0
CN(C)c1ccc(C(=O)O)c(Oc2nc(Oc3cccc(-c4cccc(CN)c4)c3)c(F)c(N(C)C)c2F)c1,0,0,0,0
COc1cc(OC)cc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2N)c1,0,0,0,0
O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1,0,0,0,0
CC(C)(C)OC(=O)NC1CONC1=O,0,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2OC)c(=O)c1=O)c1ccccc1,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)CCSC)C1,1,0,0,0
C=Cc1ccc(-c2ccc3c(n2)C(=O)N(c2ccc(OCCN4CCCC4)c(OC)c2)C3)cc1,0,0,0,0
CC(C)NC(=S)N(C)C1(c2ccccc2Cl)CCCCC1=O,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(C(F)(F)F)cc1,0,0,0,0
CCOC(=O)Cn1nnnc1CN1CCN(c2ccc(OC)cc2)CC1,1,0,0,0
COC(=O)Cc1c(O)ccn(Cc2ccc(Cl)c(Cl)c2)c1=O,0,0,0,0
COC(=O)NC1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,1
Cc1c(C(F)(F)F)nc2ccc(Cl)cc2c1N1CC(C)(C)c2ccc(N3CCOCC3)cc21,0,0,0,0
COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)c(OC)c1,1,0,0,0
CC(=O)Nc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2,0,0,0,0
O=C(O)C1CCN(C2CCC3(C2)C(=O)c2cc(Cl)ccc2Oc2ccccc23)CC1,0,0,0,0
NC(=O)c1ncn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O,0,0,0,0
Cc1ccc(C(=O)NC(=S)Nc2ccc3[nH]c(O)nc3c2)cc1,1,0,0,0
Cc1nc2c(C(F)(F)F)cccc2n1-c1cccc(Oc2cc(F)cc(S(C)(=O)=O)c2)c1,0,0,0,0
C[C@H](Oc1nc(=NC2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1ccccn1,0,0,0,0
N#C[C@@H]1CC[C@@H](O)CC1n1cc(C(N)=O)c(Nc2ccccc2)n1,0,0,0,0
COCCn1cnc2c1c(=O)n(Cc1c(F)cccc1Cl)c(=O)n2Cc1ccccc1,1,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(F)cc3)c3ccccc23)C1,0,0,0,0
O=C(Nc1cccc(Cl)c1)OCCN1CCN(Cc2ccccc2)CCC1=O,1,0,0,0
CCS(=O)(=O)N(CC1CC1)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,0,0,0,0
Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1-c1ccc2c(c1)OCCO2,1,0,0,0
CN(C)S(=O)(=O)c1cccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2N)c1,0,0,0,0
CCOC(=O)c1ccc(NC(=O)Nc2ccccn2)cc1,0,1,0,0
CC(=O)Oc1ccccc1C1C[C@]2(C)CC(=O)NC2N1C(C)=O,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(N(C)C)cc3)oc2c1,0,0,0,0
CN1CCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1,0,0,0,0
O=C1CC(Cc2ccccc2)C(=O)N1CCc1ccc2c(c1)OCO2,0,0,0,0
CCOc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/CN(C1CC1)C1CC1,0,0,1,0
Nc1c2c(nc3cnccc13)OCCC2,0,0,0,0
CCCCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2(C)C)C1=O,0,0,0,0
COc1ccc(C(=O)c2ccccc2)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,0,0,0,0
CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CNCCO4)no2)cc1C#N,0,0,0,0
Cc1ccc(CN(C(=O)c2cc(Cl)c(O)cc2O)c2ccc(C(=O)N(C)C)cc2)cc1,0,0,0,0
O=S(=O)(NC1CCN(CCOc2cccc(F)c2)C1)c1cccs1,0,0,0,0
CC(NCc1c[nH]c2ccccc12)c1ccccc1,0,0,0,0
Cc1ccc(-n2c(C)nc3ccccc3c2=O)c(C)c1,0,0,0,0
CSc1nc(O)c(C2OC(=O)c3ccccc32)c(=O)[nH]1,0,0,0,0
CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1,0,0,0,0
Oc1ccc(-c2[nH]c(-c3ccc(Br)cc3)nc2-c2ccccc2)cc1,0,0,0,1
COc1ccc(CCNC(=O)C23CCC(C)(C(=O)O2)C3(C)C)cc1OC,0,0,0,0
O=C(O)[C@@]1(N(CCn2cncn2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@H]1c1ccccc1,0,0,0,0
NCc1ccccc1C1(O)CCN(C(c2ccccc2Cl)c2ccccc2Cl)CC1,0,0,0,0
C[C@]12CC[C@H]3[C@@H]([C@H](CCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)CC4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O,0,0,0,0
COc1ccc(Cn2c(=O)[nH]c3cc(C(=O)N4CCN(c5cc(Cl)ccc5C)CC4)ccc3c2=O)cc1,0,0,0,0
COc1ccc(N2CCN(C(=O)COC(=O)c3cnccn3)CC2)cc1,0,0,0,0
C[C@H](Oc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl,0,0,1,0
N#CC1=C(SCC(=O)c2cc3ccccc3oc2=O)NC(=O)C(C#N)C12CCCC2,1,0,0,0
COc1nc(-c2ccc(F)cc2C)c2c(C#N)c[nH]c2n1,0,0,0,0
CN(C)CC1CCCCC1OC(=O)c1ccc(Br)cc1,0,0,0,0
COc1ccc(NC(=S)NCC2CCN(c3ccc(OC)cc3)C2)cc1,1,0,0,0
Clc1ccc(Nc2nc(-c3cccs3)cs2)nc1,1,1,0,0
CC(C)C(NC(=O)Cn1ccc2c(=O)n(C)c(=O)[nH]c2c1=O)C(=O)C(F)(F)F,0,0,0,0
COCCCNC(=O)c1c(-c2ccccc2)noc1C,0,0,0,0
CCOc1ccc(N=C2Sc3nc4ccc(C)cc4cc3CN2CCOC)cc1,0,0,0,0
O=C(C1=C[C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3[C@@H](C(=O)c3ccc(Cl)cc3)N2C=C1)c1ccccc1,1,0,0,0
CCOC(=O)/C=C/Cc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3ccccc3)CC2)cc1,0,0,1,0
COc1cc2c(C(=O)N3CCNCC3)c(Cc3cccc(F)c3C)n(-c3ccccc3)c2cn1,0,0,0,0
CC(C)(C)c1nc(N)c2cc(-c3ccc(Cl)cc3)c(-c3ccccc3Cl)nc2n1,0,0,0,0
COCCN(CC1CC1)c1nc(C)nc2c1nnn2-c1ccc(C(C)C)cc1Br,0,0,0,0
CCc1cc(C(=O)Nc2ccc(S(=O)(=O)NC3=NCCCCC3)cc2)sc1C,0,0,0,1
Cn1cc(C2=C(c3ccc(-c4ccccc4)cc3)C(=O)NC2=O)c2ccccc21,0,0,0,0
N#Cc1ccccc1Cn1c(N2CCC[C@@H](N)C2)nc(-c2ccccc2)cc1=O,0,0,0,0
CN1C(=O)C(=CNc2ccccc2Sc2ccccc2)C(=O)N(C)C1=O,0,0,0,0
CCCN(CCC)CCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
O=C(OC1CCOC1=O)c1cc(-c2cccs2)nc2ccccc12,0,0,0,0
CC1=NNC2=NC3=C(C(=O)CC(C)(C)C3)C(c3ccc(C)cc3)C12,0,0,0,0
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2cccc(F)c2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1,0,0,0,0
C[C@@]1(OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)CCCNC[C@H]1NC(=O)c1ccc(O)cc1,0,0,0,1
COc1ccc(N2CCN(c3nc4ccccc4n3CC(=O)c3ccccc3)CC2)cc1,1,0,0,0
CC1CC(C)(C)Nc2ccc(OC(=O)c3ccco3)cc21,0,1,0,0
Cc1c(Cl)ccc2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
CC(C)(C)c1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)c3ccccc3)cc2)cc1,1,0,0,0
CCOC1CN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2c(Cl)c(C4CC4)nn2C)CC3)C1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1C(C)c1ccc(Cl)cc1,0,0,0,0
CC12CC(NC(=O)N1c1cccc(C(=O)N3CCN(c4ccccc4F)CC3)c1)c1ccccc1O2,1,0,0,0
O=C1OCC/C1=C\c1ccccc1O,0,0,0,0
C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2c(cnn2C2CCCC2)c(=O)[nH]1,0,0,0,1
CC1(C)C2CCC(C2)C1n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c(-c2ccc(F)c(F)c2F)n1,0,0,0,0
CO[C@@]12[C@H](COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1C[C@@H]1N[C@@H]12,0,0,0,0
C#Cc1cc(C#Cc2ccc3ncn(-c4ccnc(N)n4)c3c2)ncn1,0,0,1,0
COc1ccc(CNc2nc(N3CCNCC3)nc3c2ncn3C(C)C)cc1,0,0,0,0
CCc1c(CCCC(=O)O)cccc1-c1nsc(-c2cnc(OC(C)C)c(C(F)(F)F)c2)n1,0,0,0,0
N#Cc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)n2)cc1,1,0,0,0
OC1CCC(Nc2nc(NCc3ccccc3)ncc2-c2ccccn2)CC1,0,0,0,0
CCc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,0,0,0,0
CN(C)S(=O)(=O)c1cc2c(cc1N1CCN(CCO)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
Clc1ccccc1/C=N/NC1=Nc2cccc3cccc1c23,1,1,0,0
OC(COc1cccc(-c2ccccc2C(F)(F)F)c1)CN1CCc2ccccc2C1,0,0,0,0
COCCn1c(=O)c(-c2ccccc2)nc2cnc(Nc3cccc(OC)c3)nc21,0,0,0,0
COCC(c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1C,0,0,0,0
CCOC(=O)Cn1nc(/C=C/c2ccc(C)cc2)ccc1=O,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3S(=O)(=O)N3C[C@H](O)[C@@H](N4CCOCC4)C3)cc2F)cn1,0,0,0,0
COc1cc(C2CCN(C[C@@H](C)O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3N(C)S(C)(=O)=O)n2n1,0,0,0,0
CCCCC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
O=S(=O)(c1cccc(Cl)c1)c1cnc(=S)[nH]c1O,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2cc3c(ccc4ccccc43)oc2=O)CC1,1,0,0,0
O=C(c1cccc(F)c1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,1,0,0,0
CCCN[C@H]1C[C@H]2C[C@@](c3cccc(O)c3)(C1)[C@H](C)CN2CCCc1ccccc1,0,0,0,0
O=c1[nH]c(C=Cc2ccccc2)c([N+](=O)[O-])c(=O)[nH]1,0,0,0,0
COc1cc2c(cc1OC)N(Cc1cccc(C)c1)CC1C(c3ccc(F)cc3)NNC21,0,0,0,0
Cc1cncc(-c2nnc3n2C[C@H](C)N(Cc2cccc(C(F)(F)F)c2Cl)C3=O)c1,0,0,0,0
COc1cccc(-c2ocnc2C(=O)Nc2ccc(N3CCOCC3)cc2N2CCOCC2)c1,1,0,0,0
CCC1CCCCN1C(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(OC)c3)cc2c1=O,0,0,0,0
CC(C)NC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21,0,0,0,0
COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)cc(OC)c1OC,0,0,0,0
CCCCc1nc2ccccc2c(=O)n1-c1ccc(O)cc1,0,0,0,0
Cc1cccc(NC(=S)NN=Cc2cccc([N+](=O)[O-])c2)c1,0,0,0,0
COc1cccc(Nc2nn(C3(CC#N)CCN(C(=O)OC(C)(C)C)CC3)cc2C(N)=O)n1,0,0,0,0
CN1CC(C2=NCCN2)Oc2ccc(C(F)(F)F)cc21,0,0,0,0
Cn1cnc2cc(-c3ccc(C4(N)CC4)cc3)nc(N[C@@H]3CCOC3)c2c1=O,0,0,0,0
Cc1cc(C)cc(Nc2nc3ccccc3n3cnnc23)c1,0,0,0,0
Cc1cccc(Nc2ncnc3cnc(N(C)C)nc23)c1,0,0,0,0
CCS(=O)(=O)c1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
O=c1[nH]c(O)c(C=NCc2ccc(-c3ccccc3)c(O)c2)c2cc(I)ccc12,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCNCC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
O=C(c1ccno1)N1CC2CNCC2C1,0,0,0,0
Cc1cnccc1N1C(=O)c2c(Cl)ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2C1=O,0,0,0,0
O=C(O)CCCCCC(CNS(=O)(=O)c1ccc(Cl)cc1)c1cccnc1,0,0,0,0
COc1ccc2c(CNC3CCCCCC3)c(C(=O)O)n(Cc3cccc(F)c3)c2c1,0,0,0,0
O=C1CCCN1CCOc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1,0,0,0,0
CC1=CC(=O)C2C(C)(C)CCCC2(C)C1(O)CO,0,0,0,0
Clc1cccc(N2CCN(CCCCOc3ccn4nccc4c3)CC2)c1Cl,0,0,0,0
COc1ccc(CNCC(C)NCc2ccc(OC)c(OC)c2)cc1OC,0,0,0,0
C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)O,0,0,0,0
CCOc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(OC)cc3)cc2N)cc1,0,0,1,0
O=[N+]([O-])c1cc(C=NO)ccc1N1CCCC1,0,0,0,0
CCCCNC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc12,0,0,0,1
N#C/C(=C\c1ccccc1)c1ccccn1,0,1,0,0
CSc1nc(-c2ccco2)nn1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CS(=O)(=O)c1ccc(Nc2nn([C@@H]3CC[C@H](O)C[C@H]3C#N)cc2C(N)=O)cc1,0,0,0,0
CCOc1ccc(N2CC(O)(c3cccs3)[N+]3=C2CCCC3)cc1,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(c3)CN(C)C(=O)N4)NC(=O)NC1=O)C2,0,0,0,0
Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1,0,0,0,0
C[C@H]1Cn2c(nnc2-c2ccncc2)C(=O)N1Cc1cccc(C(F)(F)F)c1Cl,0,0,0,0
CN(c1ccc([N+](=O)[O-])cc1OCc1ccccc1-c1ccccc1)S(C)(=O)=O,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]c(CN(C)C)c(C)c6c5)c4)CC3)CC2)CC1,0,0,0,0
OC(c1ccccc1)(c1ccccc1)C1CN2CCC1CC2,0,0,0,0
CN(CCOc1ccc(-c2cccc(Cl)c2)cc1C(=O)c1cccs1)CC(=O)O,0,0,0,0
O=C(c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2Cl)n1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2F)C(=O)NCCCn2ccnc2)c2ccccc21,1,0,0,0
NC(=O)CSC1=N/C(=C\c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1,0,0,0,0
CN(C)/C=N/c1sc2c(c1C#N)CCCC2,0,0,0,0
O=C(Nc1ccc2c(c1)CCC2)c1cccc(F)c1,0,1,0,0
Cc1ccccc1N=C(NOCc1ccccc1)c1nonc1N,0,0,0,0
CCCCNC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1OC,0,0,0,0
COC(=O)C1=C(C(=O)OC)C2N(C)c3ccc(OC)cc3C23CC(C(=O)OC)N(C(=O)c2cccs2)C3=N1,1,0,0,0
C=CCN1C(=O)NC(=O)C(C(CC)=NNC(=S)Nc2ccccc2)C1=O,0,0,0,0
CN(C(=O)CO)[C@H]1CCN(Cc2cnc3cc(Oc4ccc(-c5ccn[nH]5)cn4)ccc3c2)C1,0,0,0,0
CC1C2Cn3c(nc4ccccc43)C1N(C)O2,0,0,0,0
Brc1cnc(NCc2csc(-c3cccs3)n2)nc1Nc1cc(C2CC2)[nH]n1,0,0,0,0
O=C1CCCc2nc(N3CCCCC3)sc21,0,0,0,0
COc1ccc2c(c1)-c1c(sn(-c3ccc(OC)c(OC)c3)c1=S)C(C)(C)N2,0,0,0,0
OC(c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1ccccc1F)C(F)(F)F,0,0,0,0
CC(=O)c1c(N2CCOCC2)[nH]c(-c2ccccc2)nc1=S,0,0,0,0
COc1ccc(CNc2ccc(C)c(C)c2)c(OC)c1OC,0,0,0,0
O=C1CCC(c2cccc(C(=O)N3CCOCC3)c2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1,0,0,0,0
NC1=Nc2ccc3cc2CN1[C@H](C1CCCCC1)CCC(=O)N(C1CCC(C(=O)O)CC1)CCc1cccc(c1)O3,0,0,0,0
CN(C)C(CNS(=O)(=O)c1ccc(Br)cc1)c1cccnc1,0,0,0,0
O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccsc3)nc12,0,0,0,0
CCOC(=O)c1sc2ncn(C(C)C(=O)OC)c(=O)c2c1C,0,0,0,0
CCN(CC)CCNC(=O)CCN1N=C(c2ccccc2)CCC1=O,0,0,0,0
Cc1cc2c(cc1C)NC(=O)CC(C(F)(F)C(F)(F)C(F)(F)F)=N2,1,0,0,0
O=C(c1ccc(C[S+]([O-])c2ccccc2Cl)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1,1,0,0,0
COc1ccccc1OCc1nc2ccc(-c3cn[nH]c3)cc2c(=O)[nH]1,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCOCC1,0,0,0,1
Cc1cc(N2CCOCC2)cc2[nH]c(-c3c(NCCn4cccn4)cc[nH]c3=O)nc12,0,0,0,0
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(=O)N[C@H](C(N)=O)C(C)C,0,0,1,0
O=c1[nH]c(CNc2cccc(O)c2)nc2c1sc1ccc(-c3ccccc3)cc12,0,0,0,0
Cc1cccc(-n2c(-c3csc(C(C)C)c3)n[nH]c2=S)c1,0,0,0,0
O=C1CC(N2CCc3ccccc32)C(=O)N1c1ccc(F)cc1,0,0,0,0
CCc1ccc(NC(=O)c2onc(C)c2Cl)cc1,1,1,0,0
Cc1cc([N+](=O)[O-])cc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccccc2Br)cc1,1,0,0,0
O=C(NCCF)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1,0,0,0,0
CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl,1,0,0,0
CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C(F)(F)F,0,0,0,0
O=c1cc(N2CCOCC2)nc2n(Cc3ccc(F)cc3)ccn12,0,0,0,0
COc1ccc(-n2nc3c(N(C(=O)c4ccccc4)C(=O)c4ccccc4)nc4ccccc4n3c2=O)cc1,0,0,0,0
Cc1ccc(CNc2cc(C)nc3nc(-c4cccc(C)c4)nn23)cc1,0,1,0,0
Cc1cccnc1-c1cc(N2CCC3(CC2)CN(C)C(=O)O3)ncc1Cl,0,0,0,0
Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)O)cc3)cc2n(C)c1=O,0,0,0,0
CC(C)(C)C1CCC(=NNc2ncc(C(F)(F)F)cc2Cl)CC1,0,0,0,0
Cc1ccn2c(Nc3ccc4c(c3)OCO4)c(-c3ccc(N(C)C)cc3)nc2c1,1,0,0,0
Cn1cc(C=Cc2nc3ccccc3c(=O)n2-c2cccc([N+](=O)[O-])c2)c2ccccc21,1,0,0,0
Cc1ccc(C)c(NC(=S)NN=CC(C)c2ccccc2)c1,0,0,0,0
Cc1cccc(OCc2nnc(NC(=O)Cc3cccs3)s2)c1,1,0,0,0
Cn1cc(C2=C(c3cn(C4CCN(CC5CC5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0,0,0,1
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)c(C)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1sc2nc(CSc3ccccc3)nc(N3CCC(C(N)=O)CC3)c2c1C,1,0,0,0
Cc1cccc(S(=O)(=O)Nc2cccc3c2C(=O)c2ccccc2-3)c1,1,0,0,0
Cn1ncnc1COc1nn2c(-c3ccc(F)cc3)nncc2c1-c1ccccc1F,0,0,0,0
O=S1(=O)CC(O)c2ccccc21,0,0,0,0
CC(CN1CCCC1)OC(=O)c1cccc(F)c1,0,0,0,0
CN1[C@@H]2CC[C@H]1CC(CC(O)(c1ccccc1)c1ccccc1)C2,0,0,0,0
CC(Sc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)NC(N)=O,0,0,0,0
CCOc1ccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1,0,0,0,0
c1ccc2[nH]c(SCc3ccc(-c4nnco4)cc3)nc2c1,0,1,0,0
COc1ccccc1Nc1nc(N)nc(CN2CCc3ccccc3C2)n1,0,0,0,0
COc1cnc2[nH]cc(Cc3ccc(NCc4cncc(F)c4)nc3F)c2c1,0,0,0,0
N#CC1(CCCN2CCC(O)(c3ccc(Br)cc3)CC2)c2ccccc2CSc2ccccc21,0,0,0,0
COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(OC)n1,1,1,0,0
CN(c1ccc(S(=O)(=O)N2CCNCC2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1,0,0,0,0
CC1CCN(c2ccc(S(=O)(=O)NC3=NCCCCC3)cc2[N+](=O)[O-])CC1,0,0,0,0
Cc1cccc(S(=O)(=O)Nc2ccc(C)c3c2OC(C)(C)C3)c1,0,0,0,0
Clc1ccc(-c2cc(-c3ccc(Cl)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
CCCc1ncc(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12,0,0,0,0
CCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(C)n3)cc2)[nH]1,0,0,0,0
O=Cc1ccc2noc(-c3ccccc3)c2c1,0,0,0,1
COc1ccc(N(CC(=O)N2CCC(Cc3ccccc3)CC2)S(C)(=O)=O)cc1,1,0,0,0
CCC(=O)N1CCN=C1SCc1cc(C)ccc1C,0,0,0,0
O=C(O)CCc1c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Cc4ccc(F)cc4)cc32)[nH]c2c1C(=O)CCC2,0,0,0,0
CC(C)c1cccc(-c2ccc(/C=C/[C@H]3[C@@H]4CCCC[C@H]4C[C@H]4C(=O)O[C@H](C)[C@@H]34)nc2)c1,0,0,0,0
COc1cc(C(O)P(=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc(OC)c1OC,1,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccccc3Cl)CC1=O)C2,0,0,0,0
CN1CCN(c2ccc(Cn3c(=O)[nH]c4c(N)nc(C(F)(F)F)cc43)cn2)CC1,0,0,0,0
Cc1cc(Nc2ccccc2F)n2nc(C)nc2n1,0,0,0,0
Cc1ccc(-c2nc3ccccn3c2Nc2ccc3c(c2)OCCO3)s1,1,0,0,0
O=C(CN1CC(c2ccccc2)CC1=O)NN=Cc1cc(Br)ccc1O,1,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3cccc(C)c3)CC4)cn2)CC1,0,0,0,0
CCOc1ccccc1NC(=O)c1ccc2c(Cl)c3c(nc2c1)CCCC3,0,1,0,0
O=C1CCCC2C1=NN(c1ccccc1)[N+]2=O,0,0,0,0
N#Cc1ccc([C@H]2CCCc3cncn32)c(F)c1,0,0,0,0
CC(C)Oc1cc(OC2CCN(C)CC2)c2c(Nc3c(Cl)ccc4c3OCO4)ncnc2c1,0,0,0,0
COc1ccc(-c2cc(C(=O)O)c3sc(N4CCCCC4)nc3n2)cc1OC,0,1,0,0
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O,0,0,0,0
CCCOc1ccc(CNC(=O)CCCN2C(=O)CSc3c2c(C)nn3-c2ccccc2)cc1,1,0,0,0
CCN1/C(=C2\C(=O)N(C)C(=S)N2C)C=Cc2cc(C)ccc21,0,0,0,0
COc1ccc(OC)c(-c2cc(=O)[nH]c(=S)n2CC(N)=O)c1,0,0,1,0
NC(N)=Nc1ccc(N2C(=O)N(Cc3ccccc3)N=C(CC3CCCCC3)c3ccccc32)cc1,0,0,0,0
O=C(c1nn(-c2cccc(Br)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
Cc1ccccc1CNC1CCCCC1,0,0,0,0
CCOc1ccc(Br)cc1CNCCSc1nnnn1-c1ccccc1,0,0,0,0
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)S(C)(=O)=O)Oc2ccc(NC(=O)C3CCCCC3)cc2C1=O,0,0,0,0
CCNC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1,0,0,0,0
OC(COCCOc1ccc(Br)cc1)CN1CCN(Cc2ccccc2)CC1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)C2CCCN(C(=O)c3cc4sccc4n3C)C2)CC1,1,0,0,0
CCCCn1c(NC(=O)c2ccc(Br)o2)c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc21,0,0,0,1
O=C(NO)c1cc2ccc(CNCCc3ccccc3)cc2s1,0,0,0,0
CCOc1cccc(C(=O)Nc2nccs2)c1,0,1,0,0
COc1cccc(C(=O)Oc2c(Sc3ccc(C)cc3)c(C)nn2C(C)(C)C)c1OC,0,0,0,0
Cc1ccc(-c2cc3ccccc3nc2N)cc1,0,1,0,0
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3)c2cc1OC,0,0,0,0
COc1cccc(CNCCSc2nnnn2-c2ccccc2)c1OC,0,0,0,0
COc1ccccc1Cn1nc(C(=O)O)c2ccccc2c1=O,0,0,0,0
COC(=O)Cc1ccc(NC(=S)N2CCC(Cc3ccccc3)CC2)cc1,0,1,0,0
Cc1cc(CN2CCCCC2C(=O)Nc2ccc(Oc3cccnc3)cc2)oc1C,1,0,0,0
Cc1cc(C)c(C(=O)COC(=O)CCn2c(C)csc2=O)cc1C,0,1,0,0
COCCCNc1ncnc2nc[nH]c12,0,1,0,0
Cc1ccccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1,0,1,0,0
COc1ccccc1-c1cc2ccccc2[nH]1,0,1,0,0
CCCn1c(=O)c2[nH]c(C3CCC3C(=O)O)nc2n(CCC)c1=O,0,0,0,0
CSc1ncccc1C(=O)N1CCCC(N2CCN(c3ccccc3F)CC2)C1,0,0,0,0
COC(=O)c1ccc(NCc2ccc(C(C)(C)C)cc2)cc1,0,0,0,0
Fc1ccccc1NC(=S)N/N=C/c1ccccc1Br,1,1,0,0
Fc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
Cc1cc(Cl)c2oc(C(=O)N(CCO)Cc3ccccc3)c(C)c2c1,1,0,0,0
CCCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,0,0,0,0
c1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1,0,0,0,0
O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccc(-c2cccc(Cl)c2)cc1)Cc1ccccn1,0,0,0,0
N#Cc1ccc(Cn2cnnc2CN(Cc2ccc(F)cc2)C(=O)c2ccc3ccccc3n2)cc1,0,0,0,0
O=c1cc(C(F)(F)F)[nH]c(=O)n1C1CCCCC1,0,0,0,0
CCOC(=N)c1nc2ccc3ncnc(Nc4ccc5c(c4)OCO5)c3c2s1,0,0,0,0
CC(C)CN(Cc1cc(=O)oc2cc(-c3ccccc3)c(O)cc12)CC(C)C,0,0,0,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0,0,0,0
N#Cc1cc(-c2ccnc(Nc3cnn(C4CCC(O)CC4)c3)n2)ccc1OCC1CCC1,0,0,0,0
CC(C)CCCC(C)C1CCC2C3CCC4NC(=O)CC[C@]4(C)C3CC[C@]12C,0,0,0,0
CC1(C)c2cc(N3CCCCC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CCC4NCCN3CCCCC3)no2)cc1C#N,0,0,0,0
Oc1ccc(N=Cc2sc3ccccc3c2Cl)cc1,0,1,0,0
CCC(=O)OC1(C)C(=O)C=C2C=C(c3ccsc3)OC=C2C1=O,0,0,0,1
CC(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12,0,0,0,0
CS(=O)(=O)c1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1,0,0,0,0
Cc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3F)C2)nc(C2CC2)c1F,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CCOC)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1,0,0,0,0
CC(=O)c1ccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)cc1,1,0,0,0
Cc1c(C)c2ccc(OCc3ccc(F)c(F)c3)cc2oc1=O,0,0,0,0
Oc1ccc(-c2ccc(-c3cn(CSc4ccccc4)nn3)cc2)cc1,0,0,0,0
Cc1cc(C(=O)O)c2nc(-c3c(F)c(F)c(-c4ccccc4OCc4ccccc4)c(F)c3F)[nH]c2c1,0,0,0,0
CC1CCN(c2nnc(N3CCC(C)CC3)c3ccccc23)CC1,1,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(C)cc3)c12,0,0,0,0
COc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)cc1OC,0,0,0,0
Cc1ccc2c(c1)N(S(=O)(=O)c1cc(-c3onc(C)c3C)ccc1C)CCO2,0,0,0,0
COC(=O)CCCNC(=O)CCc1nnc(-c2ccc(-c3ccccc3)cc2)o1,0,0,0,0
O=C(c1csc2c1CCCC2)N1CCN(c2ncccn2)CC1,0,0,0,0
CC(C)n1c(=O)ccc2cnc(NC3CCC(N)CC3)nc21,0,0,0,0
Cc1ccc(C(=O)OCC(=O)N2CCCCCC2)c(O)c1,0,1,0,0
CCOC(=O)C1C(=O)OC(C)(C)C1C(CC)C(=O)c1c(C)cc(C)cc1C,0,0,0,0
CC(C)CN1C=CC=C2C(=O)NC(N)N=C21,0,0,0,0
C1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2ccc(o2)COC/1,0,0,0,1
COCCCn1c(SCC(=O)n2c(C)c(C)c3ccccc32)nnc1-c1ccoc1C,1,0,0,0
CC(=O)N(C)C[C@H](O)COc1cc(-c2cnn(C)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCOCC3)ncn2)cc1C(F)(F)F,0,0,0,0
CC(C)Cn1c(-c2csc3ccccc23)n[nH]c1=S,0,0,0,0
COc1nsc(OCCCOCCCOCCCOc2nsnc2-c2cccnc2)n1,0,0,0,0
O=c1cc(-c2ccccc2)c2ccc(Sc3cc(F)cc(C(O)(C(F)(F)F)C(F)(F)F)c3)cc2o1,0,0,0,0
CC1C2Cn3c(nc4ccccc43)C1N(C(C)C)O2,0,0,0,0
Cc1nn(C)c(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1,0,0,0,0
CC(=O)c1cnc2cc(C)c(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
CCOC(=O)c1c(C)oc2ncnc(NCCc3ccccc3)c12,1,0,0,0
c1cc(N2CCOCC2)ccc1Nc1ncc2ccn(C3CCCCC3)c2n1,0,0,0,0
Cc1cccc(C2c3[nH]c4ccccc4c3CCN2C(=O)c2ccc(=O)[nH]c2)n1,1,0,0,0
CNC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(OC)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
COc1ccccc1-c1cc2nc(C)c(CCC(=O)NCc3ccc(F)cc3)c(C)n2n1,1,0,0,0
Cc1cccc(-c2nc3nc(C)cc(NCc4ccccc4Cl)n3n2)c1,0,0,0,0
CCCOc1ccc2c3c(c(=O)oc2c1OCCC)CCCC3,0,0,0,0
CC(=O)Nc1ccc(NC(=O)C2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1,0,0,0,1
Cc1cc(SC(CC(C)C)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,0,0,0,0
COc1cccc(Cl)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3ccc(C)s3)nc2c1,0,1,0,0
O=C1CN=C(n2cnc(C3CC3)n2)C=C2c3ccc(F)c(-c4cccnc4F)c3CCN12,0,0,0,0
COc1cc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc(OC)c1OC,0,0,0,0
CC1CCCN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CC(C)N4C(=O)C3CC3)CC2)C1,1,0,0,0
O=C(NCc1cc([N+](=O)[O-])ccc1O)c1cccnc1Sc1ccccc1Cl,0,1,0,0
CC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C,0,0,0,0
CCOc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1,0,0,0,0
CCCc1cc(=O)n2nc(NCc3c(Cl)cccc3Cl)nc2[nH]1,0,0,0,0
CC1=CN2C(=N)C(=Cc3ccc(Sc4ccc(Cl)cc4)o3)C(=O)N=C2S1,1,0,0,0
CC(c1ccccc1)N1CCN(C(C)c2ccccc2)CC1,0,0,0,0
COc1cccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(C(F)(F)F)cc2)C(=O)c2ccccc2S3)c1OC,1,0,0,0
Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc(C(F)(F)F)[nH]4)c3)ccc21,0,0,0,1
O=c1nc(OCC2COc3ncccc3O2)cc2n1CCc1cc(OCc3ccccn3)ccc1-2,0,0,0,0
NP(=O)(OCC1=CC(=O)c2ccccc2C1=O)N1CCOCC1,0,0,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3cccc(F)c3)cc2)CCOCC1,0,0,0,0
Cc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)N2CCN(c3ccccn3)CC2)cc1,1,0,0,0
CCc1nc2ccccc2n1CCCCOc1ccccc1C,0,0,0,0
O=C(CSc1nc2cc3ccccc3cc2[nH]1)Nc1cccc(C(F)(F)F)c1,1,0,0,0
OCc1cccc(-c2nc(N3CCOCC3)c3ncn(C4CCN(c5ccc(F)cc5F)CC4)c3n2)c1,0,0,0,0
NS(=O)(=O)c1ccc(CCNc2nccn(-c3cccc(C(F)(F)F)c3)c2=O)cc1,0,0,0,0
COc1ccc(OC)c(C2C3=C(CCCC3=O)Nc3nnnn32)c1,0,0,0,0
N#Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@@H](CN4C(=O)Oc4ccc(F)cc4)N3C2=O)cc1C(F)(F)F,0,0,0,0
CCOC(=O)CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCCOC)cc1,0,0,0,0
COc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc4ccccc43)nc12,0,0,0,0
COC(=O)c1ccc2c(c1)c(I)c(-c1ccc(OC)cc1)n2C,1,0,0,0
CCc1cnn2c(NCc3ccc[n+]([O-])c3)cc(N3CCCC[C@H]3CCO)nc12,0,0,0,1
CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@H](F)c2sc(C(N)=O)nc2-3)C1=O,0,0,0,0
C/C=C/C=C/C(=O)Nc1nccs1,0,0,0,0
Cc1cc(C)c(C)c(S(=O)(=O)N2CCC(C(=O)NCCCN3CCCC3=O)CC2)c1C,1,0,0,0
CC1(C)CC2(CCCN(C3CCN(C(=O)c4c5ccccc5cc5ccccc45)CC3)C2)C(=O)O1,0,0,0,0
O=C(O)CCn1[nH]c(=O)ccc1=O,0,0,0,0
[O-]/[N+](=C/c1cccnc1)c1ccc(Br)cc1,0,1,0,0
C[C@H](Nc1nc(N)nc(NCCOc2ccc(F)cc2)n1)c1ccc(F)cc1,0,0,0,1
COc1ccc(CNCCCN(C)c2nc(-n3ccnc3)ns2)cc1,0,0,0,0
CCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
COc1ccc(NC(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1Cl,1,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCN(C(=O)OC2CCOC2)CC1,0,0,0,0
CC(C)C(=O)Nc1cccn2c(C(F)(F)F)nnc12,0,0,0,0
O=[N+]([O-])c1ccc(Sc2nccn2Cc2ccccc2)c([N+](=O)[O-])c1,0,0,0,0
Cc1ccc(-c2csc(N(CCO)CCCn3c(C(F)(F)F)nc4cc(C(F)(F)F)ccc43)n2)cc1,1,0,0,0
CCOC(=O)C1CCCN(C(=O)CN2C(=O)C(=Cc3ccc(OC)cc3)Oc3ccccc32)C1,1,0,0,0
CCc1cnc(C)nc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CCc1cccc(C)c1NC(=S)NCC1CCN(c2ccc(OC)cc2)C1,0,0,0,0
NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3ccc(F)cc31)C1CCC1)CO2,0,0,0,0
COCCN(C)C(=O)c1ccc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2ccc(-c4cnn(C)c4)cc2)CC3)c(OC)c1,0,0,0,0
COc1ccccc1CN1CC2CC(c3ccccc3)N3CCCC23C1=O,0,0,0,0
O=C(/C=C/c1ccco1)Nc1nc(-c2ccccc2)cs1,1,1,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)[C@@H](N)Cc2ccccc2)CSSCCN(CC(N)=O)C(=O)[C@@H](Cc2ccccc2)NC1=O,0,0,0,1
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(OC4CCCCC4)c3)C2)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)F)cc3)n2)CCC(NCC(F)F)CC1,0,0,0,0
COc1ccc(C(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CN(C(C)=O)CC4)cc1OC,1,0,0,0
CCOC(=O)c1c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)cn1C,0,0,0,0
O=C(c1ccc(C#Cc2ccccc2)o1)N1CC2CNCC2C1,0,0,0,0
Cc1ccc(C)n1-n1cnc2sc3c(c2c1=O)CCCCC3,0,0,0,0
O=C1NC(=O)c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2C1=O,0,0,0,0
O=C1CCN(Cc2ccccc2)CC1C(c1ccc(Cl)cc1)c1ccc(Cl)cc1,0,0,0,0
CCCCCn1nc(C(=O)N2CCc3ccccc32)c2ccccc2c1=O,0,0,0,0
O=C1CCC(c2cccc(O)c2)(C2CCN(Cc3ccc(Br)cc3)CC2)C(=O)N1,0,0,0,0
Cc1ccc2nc(Nc3nc(CSc4nnnn4-c4ccccc4)cc(=O)[nH]3)nc(C)c2c1,0,0,0,0
COc1ccc(N2CCN(CC(=O)Nc3ccccc3SC)CC2)cc1,1,0,0,0
CCOc1ccc(NC(=O)Nc2c[nH]c(=O)[nH]c2=O)cc1,1,0,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1,0,0,0,0
N#Cc1nc(-c2ccnc(Nc3ccc(CN4CCOCC4)nc3)n2)ccc1N1CC[C@H](O)C1,0,0,0,0
O=S(=O)(c1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)o2)cc1)N1CCCC1,1,0,0,0
Cc1cc2[nH]ccc2cc1Nc1c(C#N)cncc1-c1ccc(OCCN2CCN(C)CC2)cc1,0,0,0,0
O=C1CC(c2ccccc2)c2ccccc21,0,0,0,0
Cc1c(Cl)cccc1NC(=O)c1cc(-c2cccs2)on1,1,0,0,0
CC(C)(C)OC(=O)N1CCN(c2cnc3ccn(S(=O)(=O)c4ccccc4[N+](=O)[O-])c3c2)CC1,0,0,0,0
C=CC(=O)Nc1cc(Br)cc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(C)cc2)CC1,1,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1[N+](=O)[O-],0,0,0,0
FC(F)(F)c1nc2c(N3CCN(CCCOc4cccc5[nH]c(=S)[nH]c45)CC3)cccc2[nH]1,0,0,0,0
N#C[C@@H]1CC(CN)CCC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1cc(F)cc(F)c1)O2,0,0,0,0
COc1cc2c(cc1OC)C1=C(CCC(C)(C)O1)C(=O)C2=O,0,0,1,0
CCOC(=O)CSc1nc(C)c2cc(OC)ccc2n1,0,1,0,0
COc1cccc(F)c1C(=O)NC(=O)Nc1ccc2nc(C)oc2c1,0,0,0,1
COc1ccc2c(=O)c3c(=O)n(-c4ccccc4)c(-c4ccc(C)cc4)nc3oc2c1,0,0,0,0
Cn1c(=O)c(N)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2,0,0,0,1
CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=O)c3ccccc3Cl)C1(O)CCC2C1=CC(=O)OC1,1,0,0,0
CC1Cc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2CN1C(=O)C(F)F,0,0,0,0
C=CC(=O)N1CCN(c2nnc(-c3ccccc3CCC)c3cc(-c4c(O)cccc4F)c(Cl)cc23)CC1,0,0,1,0
C=CCC1(CC=C)CCCN1C(=O)CC1C(=O)NCCN1Cc1cccc(OC)c1OC,1,0,0,0
Cc1cc(N2CCC(N(C)C)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0,0,0,0
C[C@@H]1CN(C(=O)c2ccccc2)CCN1c1nnc(-c2ccc(C(F)(F)F)cc2)c2ccncc12,0,0,0,0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@@H](C)C(=O)O)n1,0,0,0,0
Fc1ccccc1NC1=Nc2cccc3cccc1c23,0,0,0,0
C=CC(=O)N(C)c1ccccc1C1CCNc2c(C(N)=O)c(-c3ccc(Oc4ccc(F)cc4)cc3)nn21,0,0,0,0
COc1ccccc1CNc1ncnc2ccc(-c3ccc4c(c3)OCO4)cc12,1,0,0,0
CCCCCc1nc2ccccc2c(=O)n1-c1ccc(C)cc1,0,0,0,0
CC(=O)Nc1cccc(-c2cccc(-c3cc(=O)cc(N4CCOCC4)s3)c2)c1,0,0,0,0
O=C1CCC([N+](=O)[O-])C(c2cc3c(cc2Br)OCO3)N1,0,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)cc31)C1CCCN1CC2,0,0,0,0
CCn1c(NC(C)C)nc2c(-c3cccnc3)csc2c1=O,0,0,0,0
COc1ccc(CNC(=O)c2ccc3c(c2)N(Cc2cccc(Cl)c2)C(=O)c2ccccc2S3)c(OC)c1,1,0,0,0
CNC(=O)c1cc(-c2ccc3[nH]ncc3c2)on1,0,0,0,0
COC[C@H]1O[C@@H](n2cnc3c(Nc4ccc(O)c(F)c4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
c1ccc(CCc2nn3c(C4COc5ccccc5O4)nnc3s2)cc1,0,0,0,0
CC1(C)C2([N+](=O)[O-])CN3CC1([N+](=O)[O-])CN(C2)C3c1ccccc1,1,0,0,0
c1ccc2c(c1)Oc1ccccc1O2,0,0,0,0
COc1cc(S(=O)(=O)c2cccc(Cl)c2)cc2c3c(oc12)CCNC3,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)OC)CC2,0,0,0,0
COc1ccc(NC2=NC(C)(CO)CS2)cc1,0,0,0,0
O=C(Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O)N1CCc2ccccc21,1,0,0,0
Cc1nc2ccc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)cc2s1,1,0,0,0
CCC(=O)Nc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1,0,0,0,0
CC(C)(C)CC(C)(C)c1cc(Cc2cc(C(C)(C)CC(C)(C)C)cc(-n3nc4ccccc4n3)c2O)c(O)c(-n2nc3ccccc3n2)c1,0,0,0,0
COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(-c4noc(C)n4)ccc3C)CC2)c1,1,0,0,0
COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=O)COC(=O)C12CC3CC(CC(C3)C1)C2,1,0,0,0
CN(C)c1ncc2nc(-c3ccccc3)c(=O)n(C)c2n1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4F)cc3c2n1[C@H]1CCN(C(=O)CO)C[C@@H]1F,0,0,0,0
O=C(O)CCC(CCCCNS(=O)(=O)c1ccc(Cl)cc1)CCOc1cccnc1,0,0,0,0
CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1C,0,0,0,0
CC1CCC2(C(=O)OC3OC(COC4OC(CO)C(OC5OC(C)C(O)C(O)C5O)C(O)C4O)C(O)C(O)C3O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1C,1,0,0,0
CNc1nn2c3c(cnc2c1S(=O)(=O)c1ccccc1)CCC3,0,0,0,0
CSc1nc(C)c2c(c1C#N)CCCC2,0,0,0,0
CCCCCCNc1cc[n+](-c2ccccc2)c2c(-c3ccccc3)cccc12,0,0,0,0
COC(=O)c1sccc1-c1ccc(/C=N/OC(=O)c2cccs2)o1,0,1,0,0
O=c1oc2ccccc2c(O)c1C(c1cccs1)c1c(O)c2ccccc2oc1=O,0,0,0,0
CCc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1,0,0,0,0
CNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC,0,0,0,0
Cn1cc(Nc2cc(-n3ncc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)cn1,0,0,0,0
COc1cccc(/C=N/NC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)c1,0,0,0,0
CCOC(=O)Cn1nc(/C=C/c2ccc(C(C)C)cc2)ccc1=O,0,1,0,0
CCn1nc(C)c(/C=N/NC(=S)Nc2ccc(Cl)cc2Cl)c1C,0,0,0,0
O=c1c(Oc2ccc3occc3c2)c(Cl)cnn1Cc1cccc2ccccc12,0,0,0,0
Cn1c(=O)n(C2CCOCC2)c2c3cc(-c4cnn(CCCO)c4)ccc3ncc21,0,0,0,0
NS(=O)(=O)CCNC(=O)C(c1nc2cc(F)c(-c3ccccc3)cc2s1)S(=O)(=O)CCNCc1ccccc1,0,0,0,0
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(n2nnc3cc(F)ccc32)CC1,0,0,0,0
Oc1ccc(-c2n[nH]c(=S)[nH]2)cc1,0,0,0,0
O=C(CSc1nc2ccccc2s1)N1N=C(c2cccs2)CC1c1ccc(F)cc1,1,0,0,0
CC(C)Cn1cc(C(=O)N2CCOCC2)c2c3ccccc3n(C)c2c1=O,0,0,0,0
Cc1nn(C)cc1-c1nc2ncc(Cl)c(N(C)Cc3ccccc3)c2[nH]1,0,0,0,0
c1ccc(Cn2cc(CCC3CCNCC3)c3ccccc32)cc1,0,0,0,0
O=S(=O)(c1ccc(F)c(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
c1nc(N2CCNCC2)c2ccsc2n1,0,0,0,0
CCOc1ccc(N2C(=O)CC(N3CCc4ccccc43)C2=O)cc1,0,0,0,0
O=C(c1nc2ccccn2c1Br)N1CCN(CCc2ccc(F)cc2F)CC1,0,0,0,0
O=S1(=O)N=C(NCCc2ccccn2)c2ccccc21,0,0,0,0
c1ccc(-c2noc(CC3CCCCC3)n2)nc1,0,1,0,0
Cc1ccc(C(=O)Nc2nc(=O)[nH]s2)cc1,0,1,0,0
Cc1ccc(CN2CC(C(=O)NC3CCCC(C)C3C)CC2=O)cc1,1,0,0,0
C[C@@H](O)[C@@H]1NC(=O)C[S+]([O-])C[C@@H](C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC1=O,0,0,0,0
Clc1ccc2c(c1)CN1CCCCCC1=N2,0,0,0,0
CC(C)n1c(-c2ccc(C(C)(C)C)cc2)n[nH]c1=S,0,0,0,0
Cc1c(Nc2c3ccccc3nc3ccccc23)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COC(=O)C(C)(C)C(=O)Nc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
Cc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,0,0,0,0
COCCN1C(=O)NC(c2cccc(F)c2)C(C(=O)OC)=C1C,0,0,0,0
C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)N[C@H](C)c2cccc(Cl)c2)C1=O,0,0,0,0
CC(=O)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12,0,0,0,0
Nc1c(C=C2C=CC(=O)C=C2)c(=O)nc2sc(CC(=O)N3CCCCC3)nn12,0,0,0,0
Cc1nccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1F,0,0,0,0
CC1(C)CCC2=C(O1)c1ccc(F)cc1C(=O)C2=O,0,0,1,0
O=C(c1ccc(F)cc1)N1CCN(c2ncccn2)CC1,0,0,0,0
CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN4CC(C)CC(C)C4)CC3)s2)cc1,1,0,0,0
CC(C)Sc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cc(C(N)=O)c(N)c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)c2)cc1,0,0,0,0
CC(=O)Nc1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1,0,0,0,1
Cc1cc(C)cc(-c2cc3cc(C(=O)NC(C)(C)C)ccc3n2CC(C)O)c1,0,0,0,0
CC(=O)N1CCN=C1SCc1cccc(C)c1,0,0,0,0
CCN(CC)CCn1c(=S)[nH]c2ccc(Br)cc2c1=O,0,0,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Cl)cc1Cl,0,0,0,0
Cc1ccc2[nH]c(/C(C#N)=C\c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc2c1,1,0,0,0
CCc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(C)C)s1,0,0,0,0
CCc1cc2c(C(=O)c3cc(Br)c(O)c(Br)c3)c(O)ccc2o1,0,0,0,0
COc1ccc2c(=O)n(CC(O)CO)c(C#N)c(-c3cccc(C(F)(F)F)c3)c2c1,0,0,0,0
NC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-],0,0,0,0
CC1CCCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)C1,1,0,0,0
COc1nn2cc(-c3nc4cccc(F)c4o3)nc2s1,0,0,0,0
CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc21,1,0,0,0
COc1ccc2[nH]cc(C=C(C#N)S(=O)(=O)c3ccccc3)c2c1,0,0,0,0
O=C1OC(c2cc(I)ccc2Cl)=N/C1=C\c1ccncc1,0,0,0,0
CC1(C)c2ccc(N3CCC[C@H]3CN3CCCC3)cc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
O=C(O)c1cccc(Cn2c(-c3ccc(Cl)cc3)nn(Cc3nc(Cc4c(Cl)cccc4Cl)n[nH]3)c2=O)c1,0,0,0,0
CC(=O)c1cc(C#N)c(N2CCCCC2)nc1C,0,0,0,0
O=c1c([N+](=O)[O-])c(N2CCCC2)c2ccccc2n1-c1ccccc1,0,0,0,0
C=CC(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C1,0,0,1,0
COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CN1CCCC[C@@H]1C(N)=O,0,0,0,0
O=S(=O)(c1ccccc1)N1CCc2cc(OCCCN3CCCCC3)ccc2C1,0,0,0,0
CC[C@@H](CN1CCCS1(=O)=O)N1C(=O)[C@@](C)(Cc2cccc(=O)[nH]2)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
CC1=C(C(=O)N(C)Cc2ccccc2)C2(CCC(C)CC2)OC1=O,1,0,0,0
COc1cc(S(=O)(=O)N2CCN3CCCC3C2)ccc1-n1cnnn1,0,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3CC#N)c2cc1OC,0,0,0,0
COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(C)c2n1,0,0,0,0
COC(=O)CNc1nc(-c2ccccc2F)nc2ccccc12,0,0,0,0
COC(=O)c1cc(C)sc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1,0,1,0,0
COc1ccc(C2=C(C(C)=O)Sc3nnc(-c4ccc(C)cc4)n3N2C(C)=O)cc1OC,1,0,0,0
COc1cc(/C=N/OCC(=O)NC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1,0,1,0,0
CC[C@H](O)[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)C1c1ccc(Cl)cc1,0,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCC(CCO)CC2)C(=O)N1,0,0,0,0
CCSCc1ccc2c(c1)c1c3c(c4c5cc(CSCC)ccc5n5c4c1n2[C@H]1C[C@](O)(C(=O)OC)[C@]5(C)O1)CNC3=O,0,0,0,1
O=c1[nH]ccc(NC2CCN(Cc3ccccc3)CC2)c1-c1nc2ccccc2[nH]1,0,0,0,0
O=C(C1CCN(S(=O)(=O)Cc2ccccc2)CC1)N1CCN(c2ccccc2F)CC1,1,0,0,0
CCOC(=O)c1c(NC(=S)Nc2cccc(C)c2)sc2c1CC(C)(C)SC2,1,0,0,0
CC(C)c1cccc2c1C(=O)N(COc1nc3ccccn3c(=O)c1Cl)S2(=O)=O,0,0,0,0
O=C(N/N=C/c1c[nH]c2ccccc12)c1cc(-c2cccc3ccccc23)n[nH]1,1,1,0,0
CC(C)CC(c1nnnn1Cc1cccs1)N1CCN(c2nc3ccccc3s2)CC1,1,0,0,0
N#Cc1ccc(C(=O)Nc2ccc3c(c2)N(C2CCCC2)C(=O)c2ccccc2S3)cc1,1,0,0,0
CS(=O)(=O)c1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1,0,0,0,0
CC(C)(C)c1ccc(Cn2c(C(=O)O)cc3cccc(Cl)c32)cn1,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4)cc32)cc1C,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2nn(C)c3c2CS(=O)(=O)c2ccccc2-3)CC1,0,0,0,0
CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c1cccc([N+](=O)[O-])c1,0,0,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2ccc(C(=O)N3CCNCC34CC4)c(Cl)c2)n1,0,0,0,0
NC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCc1[nH]ncc1-2,0,0,0,0
NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Cl)CC1,0,0,0,0
CN(C)C(=O)c1ccc(-c2nc(NC3CCNCC3)c3ccccc3n2)cc1,1,0,0,0
CCN(Cc1ccccc1)c1ccc(/C=N/NC(=S)NC(C)C)cc1,1,0,0,0
Cc1cccc(C)c1OCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)O,1,0,0,0
COc1ncccc1CN[C@H]1CC1c1ccccc1,0,0,0,0
Cn1cc(F)cc([C@H]2CCCN2c2ccn3ncc(C(=O)N[C@H](CO)C(C)(C)C)c3n2)c1=O,0,0,0,0
Clc1ccc(N2CCN(Cc3cn4nc(N5CCCCC5)ccc4n3)CC2)cc1Cl,0,0,0,0
COc1cccc(C(=O)N/N=C/c2ccc(OC3CSC3)cc2)c1,0,1,0,0
COc1ccc(C(=O)C2CN(C)CC2C(=O)c2ccc(OC)cc2)cc1,0,0,0,0
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccccc1C,1,0,0,0
Cc1ccc(-c2csc(N/N=C/c3ccco3)n2)c(C)c1,1,0,0,0
O=Cc1ccnc(-c2ccc(OC(=O)c3ccco3)cc2)n1,0,0,0,0
CCOc1ccc2c(c1)c(C1=C(Cl)CN(CC)C1)cn2S(=O)(=O)c1ccccc1Br,0,0,0,0
Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1,0,0,0,0
OCC1(Nc2ncnc3[nH]c4ccc(O)cc4c23)CCCC1,0,0,0,0
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CNCC2,0,0,0,0
COCCOc1ccc2c(c1)C1(N=C(N)N(C)C1=O)C1(CCc3ccccc3CC1)C2,0,0,0,0
COc1cc(-c2ccc3ncc(C(C)=O)c(NC4CCC(N)CC4)c3c2)cc(Cl)c1O,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc2nonc12,0,0,0,0
Cc1cccc(N2CC(O)(c3cccs3)[N+]3=C2CCCC3)c1,0,0,0,0
COc1ccc(NC(=O)Nc2ccc(-c3csc4c(-c5cnn(CC(C)(C)O)c5)cnc(N)c34)cc2)cc1,0,0,0,1
Cc1oc2cc(O)ccc2c(=O)c1Oc1ccccc1,0,0,0,0
CN1CCN(c2ccc(-c3cc4ncn(C)c(=O)c4c(NC4CCCC[C@@H]4CO)n3)cc2)CC1,0,0,0,0
CCOC(=O)c1c(-c2ccc(F)cc2)cn2ccccc12,0,0,0,0
O=C1COc2ccc(C(=O)CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc2N1,0,0,0,0
Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)nc2c1,0,1,0,0
COc1cc2c(cc1OC)[C@@H](C[C@@H](O)c1ccc(Cl)cc1)NCC2,0,0,0,1
CC(=O)OCC(=O)N1CCn2c(CCc3ccccc3)c(C(F)(F)F)c3cccc(c32)C1,0,0,0,0
c1ncc(C2CCNCC2)[nH]1,0,0,0,0
CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCCCC(=O)O)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
CCOc1c(OC)ccc2c3c(c(=O)oc12)CCCC3,0,0,0,0
CCOC(=O)N(C)[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)cn1,0,0,0,0
COc1ccc(-c2csc(NCc3ccco3)n2)cc1C,1,1,0,0
CCC(=O)NC(c1cccs1)c1cc(Cl)c2ccccc2c1O,0,0,0,0
COc1ccc(C)cc1NC1=NC(C)(C)CS1,0,0,0,0
Cc1c2c(n3c1CC(=O)NCC[C@H](C)Nc1cc-3ccc1C(N)=O)CC(C)(C)CC2=O,0,0,0,0
CCc1ccccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1C,0,1,0,0
NCCN1CCN(c2ccc(Nc3ncc4ccn(Cc5cc(F)cc(F)c5)c4n3)cc2)CC1,0,0,0,0
Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3ccc(Br)s3)n2)cc1,0,0,0,0
COC(=O)c1ccc(/C=N/N2C(=O)CN(C(C)C)C2c2ccc(C(=O)OC)cc2)cc1,0,0,0,0
O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)NCc1ccccc1,1,0,0,0
CC1=CC(C)CC(C)OC(=O)CC(c2ccc(O)cc2)NC(=O)C(Cc2c(Br)[nH]c3ccccc23)N(C)C(=O)C(C)NC(=O)C(C)C1,0,0,0,0
COc1ccc(C(CNC(=O)c2oc3ccccc3c2C)N2CCCC2)cc1,0,1,0,0
N/C(Cc1ccc([N+](=O)[O-])cc1)=N\OC(=O)C(c1ccccc1)c1ccccc1,0,0,0,0
CCn1c(COc2ccccc2C)nnc1SCc1nc2ccccc2c(=O)[nH]1,0,0,0,0
COc1nc(Nc2ccc3c(c2)OCO3)nc(OC)n1,1,0,0,0
O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1F,1,0,0,0
CC1(C)C[C@@](O)(c2ncc(-c3cc(Nc4nccc(C(F)(F)F)n4)cc(C4CC4)c3)s2)CC[C@@H]1C(=O)O,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc(F)c3)CC2)cc1,0,0,0,0
CC(C)=CCCC1(C)C=Cc2c(O)c3c(c(CC=C(C)C)c2O1)OC12C(CC4CC1C(C)(C)OC2(CC=C(C)C(=O)O)C4O)C3=O,0,0,0,0
N#Cc1ccc([C@@H]2CCCc3cncn32)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(=NC)NC#N)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1F,0,0,0,0
O=C(COC(=O)c1cccs1)c1ccc2c(c1)OCCO2,0,1,0,0
COc1ccc(C(=O)CSc2cc(C)nc3nc(C)nn23)cc1OC,1,0,0,0
CC(C)N1CCC(CNc2ccc3nnn(-c4cccc(OC(F)(F)F)c4)c3n2)CC1,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c(Cl)cc(Cl)cc21,0,0,0,0
CCOc1ccc(Nc2nc(=O)c3c([nH]2)CCC3)cc1,0,0,0,0
O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,0,0,0,0
CC(=O)OC(C)(C)/C=C/C(=O)C(C)(O)C1[C@H](O)C[C@@]2(C)C3CC=C4C(CC[C@@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C,0,0,0,0
C=CCC1(C(C)C)C(=O)NC(=O)N(C)C1=O,0,0,0,0
O=C(CC(=O)c1ccccc1)Nc1ccc2c(c1)OCCO2,0,1,0,0
CS(=O)(=O)c1cc(C#N)ccc1C1NC(=O)N(c2cc(C(F)(F)F)ccn2)C2=C1C(=O)CC2,0,0,0,0
Cc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccc(Cl)cc12,1,0,0,0
O=[N+]([O-])c1cc(Br)cc(C=Nc2ccc3c(c2)OCO3)c1O,0,0,0,1
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(CCC#N)[nH]c1Cl,0,0,0,0
CC(C)(C)c1ccc(-c2nc3c(sc4ccccc43)c(=O)[nH]2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0,0,0
CCOc1ccc(CCNC(=O)Cn2cccc2C(=O)c2ccccc2C)cc1OCC,1,0,0,0
Cc1ccc([C@@H](O)CNCCc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1NS(C)(=O)=O,0,0,0,0
c1cc(N2CCC(N3CCCCC3)CC2)ccc1CCN1CCCC1,0,0,0,0
COc1cc2oc3cc(C)oc(=O)c3c2cc1OC,0,0,0,0
COc1ccc(-c2cccn3nc(Nc4ccc(C(=O)O)cc4)nc23)cc1,0,0,0,0
COC(=O)c1cnc(SCc2ccc([N+](=O)[O-])cc2)n1C,0,0,0,0
COc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(F)cc1,0,0,0,0
CCOC(=O)c1csc(NC(=O)c2cc(OC)c(OC)c(OC)c2)n1,1,0,0,0
O=S(=O)(c1ccc(-c2cnc(C3CC3)o2)cc1)N1CCN(c2cccc(Cl)c2)CC1,0,0,0,0
Cc1cccc(NC(=S)NN=Cc2ccc(Cl)c([N+](=O)[O-])c2)c1,0,0,0,0
Cc1ccc(SC(C)c2nc(-c3ccncc3)no2)cc1,1,0,0,0
Nc1nc(-c2cc(-c3ccccc3)no2)cs1,0,1,0,0
Cc1c(C2c3ccccc3S(=O)(=O)N2CCOc2ccc(Cl)cc2)c2ccccc2n1CC(=O)O,0,0,0,0
COc1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1,0,0,0,0
Cn1c(SCC(=O)c2ccccc2)nnc1-c1cccs1,0,1,0,0
CCNC(=O)CC1N=C(c2ccc(Cl)cc2)c2cc(OC)ccc2-n2c(C)nnc21,0,0,0,0
CCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1,0,0,0,0
CC1(C)CC(NC(=S)NCc2ccc3c(c2)OCO3)CC(C)(C)N1,0,0,0,0
Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1nc(=O)c(C)n[nH]1,1,0,0,0
O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccncc2)C1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccsc2COc2cc3c(cc2Cl)OCO3)c1Br,0,0,0,0
COc1ccc2oc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)c2c1,0,0,0,0
Cc1nc2ccc(C(F)(F)F)nc2n2c(-c3cc(C4(O)CCOC4)ccc3F)nnc12,0,0,0,0
C=CC1(C)C=C2C(=O)C(O)=C3C(C)(C(=O)O)CCC4CC34C2(O)C(=O)C1,0,0,1,0
O=C(NCc1cccs1)[C@@H]1CN(S(=O)(=O)F)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccccc3F)ccc12,0,1,0,0
CC1=C(c2ccc(O)cc2)C(=O)c2cc(O)ccc21,0,0,0,0
CC1CCCN(S(=O)(=O)c2ccc3c(c2)CCN3C(=O)CCC(=O)O)C1,0,0,0,0
COC[C@@H](C)NC(=O)c1cc(-c2ccc(C)cn2)cc(N2C(=O)OC[C@H]2C(C)C)c1,0,0,0,0
COc1ccc(C2CC(c3ccccc3)=NN2c2ccc(S(N)(=O)=O)cc2)cc1,0,1,0,0
CC(C)(C)N[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc([C@@H](O)C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
CN1C(=S)N(c2cccc(Cl)c2)C(=O)/C1=C/c1ccc(N(C)C)cc1,0,0,0,0
COC(=O)C1C2c3ccccc3OC1(C)N=c1s/c(=C/c3cnn(C)c3C)c(=O)n12,0,0,0,0
COc1cc2c(cc1Nc1nc(N3CCc4ccccc43)c3cc[nH]c3n1)N(C(=O)CN(C)C)CCC2,0,0,0,0
CC1(C(=O)N2CC3(CC(c4cccc(NC(=O)COc5ccc(Cl)cc5)c4)=NO3)C[C@@H]2C(N)=O)CC1,0,1,0,0
CC12C(=O)Nc3ccccc3C(=O)N1C1c3cc(Br)ccc3OCC1C2c1ccccc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(C)O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC(=O)c1ccc(N2C(=O)[C@@H]3C(CCC(N)=O)NC4(C(=O)Nc5c4ccc(Cl)c5C)[C@@H]3C2=O)cc1,0,0,0,0
C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(Cc2cncnc2)C1,0,0,0,0
CCN(CC)CCN1C(=O)C(=O)/C(=C(/O)c2ccc(OC(C)C)cc2)C1c1ccncc1,0,0,0,0
COCCNC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,1,0,0
Cc1cc(C)c(NS(=O)(=O)c2cc(-c3onc(C)c3C)ccc2C)c(C)c1,0,0,0,0
C#CCOc1ccccc1C=C1C(=O)ON=C1C,0,0,0,0
Cc1ccc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)cn1,0,0,0,0
Oc1ccc2oc(-c3cc(I)c(O)c4ncccc34)cc2c1,0,0,0,0
CCCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12,1,0,0,0
CSc1nc2ccsc2c(=O)n1-c1cccnc1,0,0,0,0
CCc1ccc(NC(=O)CSc2ncc(S(=O)(=O)c3cc(C)ccc3C)c(=O)[nH]2)cc1,0,1,0,0
COc1ccc(C(CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)N2CCCC2)cc1,0,1,0,0
Cn1cc(-c2cc(O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
FC(F)(F)Oc1cccc(-n2nnc3cc(Cl)c(NCC4CCNCC4)nc32)c1,0,0,0,1
CC(C)(CO)CNC(=O)N1CCn2c(Cl)c(-c3cccc(C(F)(F)F)c3)c(C(N)=O)c2C1,0,0,0,0
OC1(c2ccc(OCCCN3CCCCC3)cc2)CCC1,0,0,0,0
Cc1ccc2c(c1)c1nc3ccccc3nc1n2CCN1CCOCC1,0,0,0,0
COc1cccc(NC(=O)Nc2nccc(C)n2)c1,0,1,0,0
Fc1ccc(C2CCCCN2Cc2nc(CC3CC3)no2)cc1,0,0,0,0
CCOC(=O)c1sc(NC(=O)c2cc3n(n2)C(C(F)(F)F)CC(c2cccs2)N3)c(C(=O)OCC)c1C,1,0,0,0
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)ns3)cc2F)CC1,0,0,0,0
O=S(=O)(Nc1ccc(CCCC2CCCC2)cc1F)c1ccc2c(c1)CCN(Cc1cnc(C(F)(F)F)nc1)C2,0,0,0,0
c1ccc(-c2nnc3c4c(c(OCc5ccccn5)nn23)CCCC4)cc1,0,0,0,1
C#CC12C=C(C#N)C(=O)C=C1c1ccccc1CC2,0,0,1,0
Cc1cc(-c2nn(-c3ccccc3F)cc2CNCCc2cnccn2)c(C)s1,1,0,0,0
Cn1c(NN)nc2sc3c(c2c1=O)CCC3,0,0,0,0
O=S(=O)(c1cc(Cl)c(F)c(Cl)c1)N1CCC[C@@H]1c1ccc(F)cc1,0,0,0,0
O=C(O)CN(Cc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1c(Cl)cccc1Cl,0,0,0,0
Cc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1,0,0,0,0
Cc1c(C(=O)NCCC2=CCCCC2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,1,0,0,0
Cc1sc(Cc2ccccc2)c(-c2ccc(-c3ccc(O[C@H](Cc4ccccc4)C(=O)O)cc3)cc2)c1C,0,0,0,0
O=C(c1ccncc1)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1,0,0,0,0
O=c1cc(-c2ccccc2)[nH]c2cc(Cl)ccc12,0,0,0,0
CCCc1ccccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
O=C(Cc1ccc(Br)cc1)N1CCc2ccccc2C1,0,1,0,0
O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F,1,0,0,0
O=c1[nH]c2cc3c(cc2cc1CN(CCO)S(=O)(=O)c1ccccc1Cl)OCCO3,0,0,0,0
CC1=Nc2cc(C(=O)NCCc3ccc(Cl)cc3)ccc2Sc2c(C)ccc(C)c21,1,0,0,0
CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cc(Cl)c(CN)s2)c1,0,0,1,0
Cc1cc(C)nc(/N=C2\NC(=O)CC(C(=O)O)N2c2ccc(F)c(Cl)c2)n1,0,0,0,0
CCn1nc(C)c(/C=N/NC(=O)c2ccoc2C)c1C,0,1,0,0
COc1ccc(C2CC(O)(c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1,0,0,0,0
N#Cc1nc(-c2ccc(OCCC3CCN(CCO)CC3)c(C(F)(F)F)c2)c2ccn(CC3CCCO3)c2n1,0,0,0,0
CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N(C)[C@H](Cc3ccccc3)C(=O)NCCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc21,0,0,0,0
CNc1ccc(-c2nc(-c3ccc(/C=C/C(=O)OC)cc3)[nH]c2-c2ccc(NC(C)C)cc2)cc1,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccccc2)CC1,0,0,0,0
CCCCC1(O)c2ccccc2-c2ccc(C(=O)NC(=N)N)cc21,0,0,0,0
O=C(O)c1ccc(NCc2cccc(Br)c2)cc1,0,0,0,0
CCOc1cccc(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)c(F)c1,0,0,0,0
Nc1ccccc1SCC(=O)N1CCc2ccccc21,0,1,0,0
CCOc1ccc(Cc2cc([C@@H]3OC(OCC)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
Cc1cccc(N(C)Cc2nnc(-c3cccc(Br)c3)o2)c1,0,0,0,0
O=C(c1ccsc1)N1CCCC(N2CCOCC2)C1,0,0,0,0
O=[N+]([O-])c1ccc2c(c1)C(c1ccccc1Cl)=Nc1c(n[nH]c1-c1ccccc1)N2,0,0,0,0
CCn1c(SCC(=O)N/N=C/C(C)=C\c2ccco2)nnc1-c1ccccc1,0,1,0,0
CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(C)C)C2c2ccco2)cc1,0,0,0,0
COc1ccc(C(=O)NC(=Cc2cn(S(=O)(=O)N(C)C)c3ccccc23)C(=O)NCCCn2ccnc2)cc1,1,0,0,0
O=C(O)c1cc(-c2ccc(CNC(=S)c3ccc(-c4ccc(C(=O)O)o4)cc3Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1,0,0,0,0
Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc1,0,0,0,0
O=C1N=c2ccccc2=C1c1sc(NS(=O)(=O)Cc2ccccc2)nc1O,1,1,0,0
O=c1c2c(nc3cc(-c4cccc(Cl)c4)[nH]n13)CCC2,0,1,0,0
O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)N1N=CCC1c1ccccc1,1,0,0,0
CCC(CC)c1cc(C)n2nc(-c3cc4c(cc3C)OCO4)c(C)cc12,0,0,0,0
FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)cc(N2CCOCC2)n1,0,0,0,0
Cn1cc(-c2cc(OCC(C)(C)O)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1,0,0,0,0
COc1ccccc1COc1ccc(OCCCN2CCCCC2)cc1C(=O)N(C)C,0,0,0,0
N#Cc1nc(-c2ccc(OCCCO)c(C(F)(F)F)c2)cc2[nH]cnc12,0,0,0,0
CCc1ccc(NC(=O)c2cc(C)no2)cc1,0,1,0,0
OC1CCCc2c(-c3ccc(C(F)(F)F)cc3)cncc21,0,0,0,0
NC(=O)CCn1ccc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21,0,0,0,0
O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3ncc(Cc4ccccc4F)[nH]3)cc2)S(=O)(=O)N1,0,0,0,0
COc1ccccc1CN1CC2CC(c3ccc4nsnc4c3)N3CCCC23C1=O,1,0,0,0
O=C(CN(Cc1ccc(F)cc1)C(=O)CNS(=O)(=O)c1ccccc1)NCc1ccco1,1,0,0,0
Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CSc1ccc(OC(F)C(=O)O)c(C(C)C)c1,0,0,0,0
c1nc2n(n1)C1=C(CCCC1)C1(CCCCC1)N2,0,0,0,0
CCCCNc1oc(-c2ccc(OC)cc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1c(Nc2c(C#N)cncc2/C=C/c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)ccc2[nH]ccc12,0,0,0,1
COCCN(C)Cc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CCNC(C(N)=O)C3)c21,0,0,0,0
O=C(O)C(=O)O.c1ccc(COc2ccc(OCCCCN3CCCC3)cc2)cc1,0,1,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(CCO)C1,1,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)c(Cl)c1,0,0,0,0
Nc1nnc(Cc2ccc(F)cc2)s1,0,0,0,0
CN(c1cccc(Cl)c1)c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1,0,0,0,0
CNS(=O)(=O)c1ccc(N2CCC(F)(F)C2)c(Nc2cc(Nc3ccc(Cl)cc3)ncn2)c1,0,0,0,0
Fc1ccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)cc1,0,0,0,0
c1ccc(-c2cc3cccnc3nc2-c2ccc(CN3CCC(c4cc(-c5cccnc5)n[nH]4)CC3)cc2)cc1,0,0,0,0
Cc1nc2cc(S(=O)(=O)N3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)ccc2s1,0,0,0,0
CCOc1ccc(S(=O)(=O)N(CC(=O)NCc2cccnc2)c2ccc(C)cc2)cc1,1,0,0,0
CC(NCCc1c[nH]c2ccccc12)=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O,0,0,0,0
CCOc1ccc2nc(SCC(=O)c3ccc(O)cc3)sc2c1,1,0,0,0
CCN(CC)S(=O)(=O)c1ccc2oc(SCC3CN=C(c4ccc(OC)cc4)S3)nc2c1,0,0,0,0
COc1ccc(OCCCCOc2c3ccoc3cc3oc(=O)ccc23)cc1,0,0,0,0
CN=C(C[N+](=O)[O-])NCCSCc1csc(CN(C)C)n1,0,0,0,0
CC(=O)OCCNc1cc(SC(C)C)c2nonc2c1[N+](=O)[O-],0,0,0,0
Cc1nc(-c2ccc(C)c(N3CCN(C(=O)Nc4ccccc4C(F)(F)F)CC3)c2)no1,1,0,0,0
COc1ccc2c(c1)c(C(O)CN1CCN(Cc3ccc4c(c3)OCO4)CC1)c(C)n2C,1,0,0,0
Cc1ccccc1[C@@H]1C[C@H](N2CCOCC2)CC[C@H]1c1cc(C(c2ccccc2)c2ccccc2)n[nH]1,0,0,0,0
Cc1cc(C)n(Cc2cccc(F)c2)c(=O)c1C#N,0,0,0,0
CC(C)CCn1cnc2c1CC[C@@](CCCN)(C(=O)O)C2,0,0,0,0
O=C1CCCCCN1c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F,0,0,0,0
CC(=O)c1cccc(-c2ccc3c(N)nc(N)nc3c2)c1,0,0,0,0
CCC1(C)SC(=NC2C(C)(C)C2(C)C)NC1=O,0,0,0,0
Nc1cncc(-c2cn3ccnc3c(Nc3ccc(N4CCN(CC(CO)CO)CC4)cc3)n2)n1,0,0,0,0
CC(C)(O)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1COC1,0,0,0,0
COc1c(C)cnc(CN2CC(=O)N(CCN3CCCC3)c3c(Cl)nc(N)nc32)c1C,0,0,0,0
Cc1cccc2cc([C@H](C)Nc3ncnc4nc[nH]c34)n(-c3ccc(F)cc3)c(=O)c12,0,0,0,1
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2)c1,0,0,0,0
COC1CN(Cc2ccc(Nc3nccc(-c4cnc(N5CC[C@H](F)C5)c(C#N)c4)n3)cn2)C1,0,0,0,0
O=C(O)[C@@H]1c2ccccc2C(=O)N(CC2CC2)[C@H]1c1ccc(Oc2ccccc2)cc1,0,0,0,0
CCOP(=O)(OCC)C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1,0,0,0,0
CN(C)c1ccc(C=NNc2nc(=O)cc(-c3ccccc3)[nH]2)cc1,0,0,0,0
CC1=C(C(=O)OCC(C)C)C(c2ccc(F)cc2)NC(=O)N1,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](C#N)NC1,0,0,0,0
Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccco1,0,0,0,0
COc1ccc(CCNC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1OC,1,0,0,0
Cc1nn(-c2ccc(Cl)cc2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12,0,0,0,0
Cn1cnc(S(=O)(=O)Nc2ccc3c(c2)OCCO3)c1,0,0,0,0
CN(C)C(=O)c1ccc(-c2ccnc3c2c(/C=C2\Oc4cccc(O)c4C2=O)cn3C)cc1,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
c1ccc(-c2ccc(Cn3ccnc3)o2)cc1,0,0,0,0
O=C(O)C1(O)CCN(c2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CC1,0,0,0,0
COC1CC(=O)C23C(=O)NC(CC(C)C)C2C(C)C(C)=CC3C=C(C)CCCC1O,0,0,0,0
COc1cc([N+](=O)[O-])ccc1OCCCCOc1c2ccoc2cc2oc(=O)ccc12,0,0,0,0
Fc1ccc(-c2noc(CCCCc3ccc4ncccc4c3)n2)c(Cl)c1,0,0,0,0
Cc1ccccc1-c1cc2nc(C)c(CN)c(-c3ccc(Cl)cc3Cl)n2n1,0,0,0,0
CC1CCC2(CC1)NC(=S)N(c1ccccc1)N2,0,0,0,0
CNC(=O)N1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ncnc5C)CC4)CC3)C2=O)CC1,0,0,0,0
COc1ccc(NC(=O)Nc2ccccn2)cc1OC,0,1,0,0
COc1ccc(OC)c(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)c1,0,0,0,0
COc1ccccc1-n1c(SC)nc(O)cc1=O,1,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(F)cc(C(F)(F)F)c1,0,0,0,0
O=C1CN(c2ccccc2F)C(=O)CN1c1ccccc1F,0,0,0,0
O=C(CCCCCN1C(=O)c2ccccc2C(O)c2ccccc21)NO,0,0,0,1
C=CCN1C(=O)c2ccc(C(=O)N3CCN(S(=O)(=O)c4cc(C)ccc4C)CC3)cc2C1=O,1,0,0,0
COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)C1=Cc1ccc(OC)cc1,0,0,0,0
CCOC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCO,0,0,0,0
CC(=O)Nc1ccc(-c2cc(Cl)cc(Cl)c2Cl)c(N)n1,0,0,0,0
COCCOC(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl,0,0,0,0
C#CCCNc1nc(Cl)c(C)n(Cc2ccccc2)c1=O,0,0,0,0
O=C(O)c1cccc(C2CCCCC2)c1,0,0,0,0
O=S(=O)(c1ccc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)cc1)N1CCCC1,1,0,0,0
CCOC(=O)N[C@@H]1CC[C@@H]2[C@@H](C1)C[C@H]1C(=O)O[C@H](C)[C@H]1[C@H]2/C=C/c1ccc(-c2cccc(C#N)c2)cn1,0,0,0,0
CCOC(=O)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1,0,0,0,0
CCOc1c(Br)cc(CNC2CCCCCCC2)cc1OC,0,0,0,0
Cc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1-c1cc2cc(COCC(F)(F)F)ccc2o1,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(S(=O)(=O)CC)cc4)cc23)c1F,0,0,0,0
COc1ccc(C(=O)C2CCN(CC(=O)N(Cc3nc4c(c(=O)[nH]3)CCCC4)CC3CC3)CC2)cc1,0,0,0,0
COc1cccc(CN2CCNC(=O)C2CC(=O)N2CCOc3ccccc3C2)c1OC,0,0,0,0
CC1=Nc2cc(C(=O)NCCc3ccccc3)ccc2Sc2c(C)ccc(C)c21,1,0,0,0
Cc1cc2c(cc1C)NC(=O)CC(c1ccccc1)=N2,0,0,0,0
Cc1cc(C)n2nc3ccccc3c2n1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3cc4ccccc4o3)cs2)cc1,0,0,0,0
O=Cc1cc(=O)oc2cc(OCc3cccc(Cl)c3)ccc12,0,0,0,0
CSc1nn2cc(-c3nc4ccc(OC(C)C)cc4o3)nc2s1,0,0,0,0
CC1(C)NC(=O)[C@H](CCCCCSSc2ccccn2)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCc2ccccc2)NC1=O,0,0,0,0
Cc1sc(NN=Cc2ccco2)nc1-c1ccccc1,1,0,0,0
Cc1nc2cc(-c3ccccc3)nn2c(C)c1CCC(=O)NCCc1ccccc1,1,0,0,0
Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nn2cnnc2)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C[C@H]3C)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C1Nc2ccccc2C1C=NN1CCCCC1,1,0,0,0
Cc1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1,0,0,0,1
CC(C)N1CCN(c2ccc3c(c2)C(C)(C)c2[nH]c4cc(C#N)ccc4c2C3=O)CC1,0,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(Cc3cccc(Cl)c3)CCc3ccccc32)cc1,0,0,0,0
COC1=CC(=Cc2c(C)[nH]n(-c3cccc(Br)c3)c2=O)C=C(OC)C1=O,0,0,0,0
O=C1NC(=O)N(c2ccc(F)cc2)C(=O)/C1=C/Nc1ccccc1N1CCCC1,1,0,0,0
Cc1ccc2[nH]c(-c3ccccc3)c(CN3CCOCC3)c(=O)c2c1,0,0,0,0
COc1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1cc(Cl)cc(Cl)c1,0,0,0,0
Nc1ccn(-c2ccccc2)c(=O)c1,0,0,0,0
CN1C(=O)C(c2cccc(-c3cncc(Cl)c3)c2)(C2CC2)N=C1N,0,0,0,0
O=C(c1ccccc1)c1cc(-c2ccccc2)oc1-c1ccccc1,0,0,0,0
Cc1c(N(Cc2ccc(OC(F)(F)F)cc2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2ccccc12,0,0,0,0
CCCC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1,1,0,0,0
O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1cccnc1,0,1,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)c2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
CN(C)CCN(C)CCNC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(NNC(=S)NC(c2ccccc2Cl)c2ccccc2Cl)c([N+](=O)[O-])c1,0,0,0,0
CN(C)C(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1,0,0,0,0
Cc1c(C)n(CC(O)CN2CCN(C)CC2)c2ccccc12,0,0,0,0
O=S(=O)(c1ccc(-c2nc3ccccc3s2)cc1)N1CCCC1,1,1,0,0
Cc1cccc(-n2[nH]c3c4c(ccc3c2=O)C(=O)c2ccccc2C4=O)c1,1,0,0,0
O=S(=O)(NC1CCCC1)c1cccc(-c2nnc(-c3ccccc3)o2)c1,0,0,0,0
c1cncc(-c2cc(-n3ccnc3)ncn2)c1,0,0,0,0
Nc1ncc(-c2nc3ccncc3s2)c(N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)n1,0,0,0,0
Cc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1,0,0,0,0
CC1=C2CCc3cc(OCc4ccccc4Cl)ccc3N2CCC1=O,0,0,0,0
CC(C)N(C(=O)Cn1cc(S(=O)(=O)Cc2ccc(Br)cc2)c2ccccc21)C(C)C,0,0,0,0
Cc1cnc(Nc2cnn(C)c2)nc1NC1CN(C(=O)CC#N)CC12CCCC2,0,0,0,0
Cc1ccccc1C1CC(c2ccccc2)=NN1c1ccc(S(N)(=O)=O)cc1,0,0,0,0
N#Cc1ccc(CN2CCC3(CCCN(C(=O)Oc4ccccc4)C3)C2)cc1,1,0,0,0
CC(C)N(c1c(F)c(Oc2cccc(C(=N)N)c2)nc(Oc2ccc(-c3ncccn3)cc2C(=O)O)c1F)C(C)C,0,0,0,0
CCC(=O)NC1CCCc2c(-c3cc(F)c(F)cc3F)cncc21,0,0,0,0
C=CC(=O)NCC(=O)N1CCN(C(=O)c2ccc(Nc3ncc(Cl)c(Nc4ccccc4C(=O)NC)n3)cc2)CC1,0,0,1,0
CC(=O)c1ccc(-n2ccc(=O)cc2)cc1,0,0,0,0
COc1ccccc1-n1c(-c2ccccc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12,0,0,0,0
Cc1ccc(-n2ncc(Cl)c(Oc3ccc(C(F)(F)F)cc3)c2=O)cc1,0,0,0,0
CC(C)c1ccc(CNc2ccc(N3CCOCC3)cc2)cc1,1,0,0,0
Cc1ccc(NC2=C(OC(C)C)OC(=O)C2Cl)c(C)c1,0,0,0,0
COc1ccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c(OC)c1,0,0,0,0
N#Cc1cccc(CC2c3cc(OCCNS(=O)(=O)CC4CC4)ccc3CCC2N2CCCC2)c1,0,0,0,0
Cc1nc(NC(C)C)c2cnn(CCc3ccccc3)c2n1,0,0,0,0
COc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1O,0,0,0,0
O=C(NO)c1cnc(NC2(c3ccccc3)CCN(C(=O)OCc3ccccc3)CC2)nc1,0,0,0,0
Cc1ccc2nc(-c3ccc(O)cc3)c(NC3CCCCC3)n2c1,0,0,0,0
CNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4ccc(O)cc4F)cc32)cc1C,0,0,0,0
COc1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1,0,1,0,0
Cc1cc(SC(Cc2ccc(-c3ccccc3)cc2)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)O,0,0,0,0
c1ccc(COc2ccc(OCCCCN3CCCC3)cc2)cc1,0,0,0,0
CCNC(=O)Nc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1,0,0,0,0
CN(C)c1ccc(-c2c(COc3ccc4ccccc4n3)nc3c(N4CCOCC4)ccnn23)cn1,0,0,0,0
O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)N1CCN(c2ccc(F)cc2)CC1,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccc(F)cc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
CC(C)CC(=O)N1CCN(Cc2cccc([N+](=O)[O-])c2)CC1,0,0,0,0
O=C(Nc1ccc2c(c1)N(C1CCCC1)C(=O)c1ccccc1S2)c1ccc(F)cc1,1,0,0,0
O=C(c1nn(-c2ccc(Cl)cc2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
c1ccc(COCCCOc2ccc([C@H]3[C@H](COCCN4CCOCC4)CNC[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0,0,0,0
Cc1nnc(-c2ccc(N3CCC(Oc4ccccc4C(F)(F)F)CC3)nn2)s1,0,0,0,0
CCOCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccccc1Cl,0,0,0,0
Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1,0,0,0,0
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1ccc(C(N)=O)cc1,0,0,0,0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)noc2NC(C)=O)cc1,0,0,0,0
N=C1c2c(cc(=O)n3c2[nH]c2ccccc23)CN1CCN1CCOCC1,1,0,0,0
Brc1ccc(N2CCNCC2)cn1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc(F)cc5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1,0,0,0,0
CC(C)COC(=O)Nc1nnc(Cc2ccccc2)s1,0,0,0,0
OC(COc1cccc(-c2ccc(C(F)(F)F)cc2Cl)c1)CN1CCc2ccccc2C1,0,0,0,0
O=c1[nH]c2ncc(-c3ccc(O)cc3)nc2n1CC1CCCCC1,0,0,0,0
CCOC(=O)/C=C/[C@H](CCC(N)=O)NC(=O)Cn1cccc(NC(=O)OCc2ccccc2)c1=O,0,0,1,0
CC(=Nc1cccc(C)c1)c1sc2ccccc2c1O,0,1,0,0
CC1C2=C3C(CCC4C(OCc5ccc(F)cc5C(F)(F)F)OCC(C)(C34)N(C(=O)OC(C)(C)C)C2)C(CO)C1CO,1,0,0,0
OC[C@H]1O[C@@H](n2cnc3c(N4CCc5ccccc5C4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
CCOc1cc(O)c(-c2n[nH]cc2-c2ccccc2)cc1CC,1,0,0,0
COC(=O)/C=C/c1cccc(N(Cc2ccc(/C=C/C(=O)OC(C)(C)C)cc2)C(=O)NC(C)C)c1,0,0,0,0
O=C(O)COc1ccc(F)c(NCc2cc(F)cc(-c3cccc(F)c3)c2)c1F,0,0,0,0
CC1(c2ccccc2Cl)NC(=O)N(CC(=O)N2c3ccccc3NC(=O)C2(C)C)C1=O,0,0,0,0
CN(C(=O)c1ccc(NC(=O)Cc2cccc(NC(=O)C3CCCN(C(=O)C4CCC4)C3)c2)cc1)C1CCCC1,1,0,0,0
O=C(O)C(Cc1c[nH]c2ccccc12)N1CCS(=O)(=O)CC1,0,0,1,0
Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2C)c1F,0,0,0,0
CC1CCCCN1C(=O)CSC1=NNC(=C2C=Nc3ccccc32)O1,1,0,0,0
CCN1C(=O)NC(c2ccc(Br)cc2)C(C(=O)OC)=C1C,0,0,0,0
C=CCn1c2ccccc2c2nnc(SC(CC)C(=O)Nc3sc4c(c3C#N)CCCC4)nc21,1,0,0,0
Cc1c(Cl)cc(C#N)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
Cc1c(Cl)cc(O)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
COc1ccccc1-c1cc(C(=O)N/N=C/c2sccc2C)c2ccccc2n1,1,0,0,0
CC(C)N1C[C@@](CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1=O,0,0,0,0
CC(NC(=O)COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1ccc(Br)cc1,1,0,0,0
CC(=O)N1CCC(N2CCN(Cc3ccc(C)cc3)C(CCO)C2)CC1,0,0,0,0
COC(=O)c1ccc(Cl)cc1N(Cc1c(F)cccc1Cl)S(C)(=O)=O,0,0,0,0
c1ccc(C(c2ccccc2)N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1,1,0,0,0
CC(C)(Cc1cc2ccccc2s1)NC[C@@H](O)[C@H]1CCCN1Cc1cccc(C#N)c1,0,0,0,0
COc1ccc(CCOC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)C(Oc2nc3c(c(OC)n2)CCC3)C(=O)O)cc1OC,0,0,0,0
c1ccc2c(c1)CN(CCCN1CCc3oc4ccccc4c3C1)C2,0,0,0,0
C=CCN1C(=O)/C(=C\C(C)=C\c2ccccc2)SC1=S,0,1,0,0
Cc1cccc(N(C(=O)OCC2CCC(COCC(=O)O)CC2)c2cccc(F)c2)c1,0,0,0,0
COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(O)c(O)c2)cc1OC,0,0,0,0
COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C4(CN5CCOCC5)CC4)cc2)CC3)cc1,0,0,0,0
Cn1cnc2cc(-c3ccc(N4CCOCC4)cc3)nc(NCC3CCOCC3)c2c1=O,0,0,0,0
O=C(NCc1cccs1)[C@@H]1CN(C(=O)C(Cl)Br)CCN1c1ccc(Cl)c(Cl)c1,0,0,1,0
CCCCCCCNC(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NC1CCCCC1,0,0,0,0
CCc1ccccc1Oc1coc2cc(O)ccc2c1=O,0,0,0,0
CC1(C)c2cc(N3CCC(O)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
CCC(C)Sc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1,1,0,0,0
CCC1C(=O)NCCN1Cc1nc(-c2ccc(C)s2)oc1C,0,0,0,0
OC(CN1c2cccc(-c3cccc(OC(F)(F)F)c3)c2OCC1c1ccc2c(c1)OC(F)(F)O2)C(F)(F)F,0,0,0,0
CCCCOc1ccc(-c2n[nH]c(=S)[nH]2)cc1,0,0,0,0
Cn1c2ccc(F)cc2c2ncn(CCCN(CCO)CCO)c(=O)c21,0,0,0,0
COc1ccc(CNC(=S)N/N=C/c2ccc(O)c(OC)c2)cc1,0,0,0,0
CC(N)C(=O)Oc1cc(OC(=O)C(C)N)c(C(C)C)cc1-c1nn(C(=O)C(C)N)c(=O)n1-c1ccc2c(ccn2C)c1,0,0,0,0
CNC(=O)O[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12,0,0,0,0
Nc1nnc(SCC(=O)NC2CCCc3ccccc32)s1,1,0,0,0
Clc1cc(Nc2n[nH]c3cccnc23)ccc1Oc1cnccn1,0,0,0,0
COc1ccccc1C(=O)NC(=O)Nc1c(C)cc(C)cc1C,1,0,0,0
NC(=O)CSc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
O=C(Cn1cc(SCc2ccc(Br)cc2)c2ccccc21)N1CCCCC1,1,0,0,0
Cc1n[nH]c(C)c1S(=O)(=O)NCCc1ccc(Cl)cc1,0,0,0,0
CN1CCN(CCCNC(=O)c2ccc(C=C3Sc4ccccc4N(Cc4cccc(Cl)c4)C3=O)cc2)CC1,1,0,0,0
c1ccc(C(c2ccccc2)c2nc(-c3cccnc3)no2)cc1,0,0,0,0
CCc1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1,0,1,0,0
Cc1c(Cc2ccccc2)sc(N)c1C(N)=O,1,0,0,0
O=C(CCC(=O)NN=c1nc2ccccc2c2nc(-c3ccccc3)[nH]n12)NCCCN1CCOCC1,1,0,0,0
O=C(c1cc(-c2ccc(F)cc2)on1)N1CCCc2ccccc21,0,1,0,0
CCN1CCN(C2=C(NS(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)CC1,0,0,0,0
CC(=O)N1CCC(Cn2c(C(C)(C)C)nc3cc(S(=O)(=O)C4CCCC4)ccc32)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)N2[C@@H](c3ccc(Cl)c(Cl)c3)C(C(=O)O)=C[C@H]2CC2CCCC2)cc1,0,0,0,0
CCCOP(=O)(OCCC)C(Nc1ccc(C(C)C)cc1)c1ccc([N+](=O)[O-])cc1,1,0,0,0
Fc1ccc(NCc2ccccc2F)cc1Cl,0,0,0,0
N#Cc1ccc(C(c2ccc(O)cc2)n2cncn2)cc1,0,0,0,0
O=C(c1ccc(Nc2ncc(C(F)(F)F)c(N3CCCC3)n2)c(Br)c1)N1CCOCC1,0,0,0,0
Brc1cnn2c(NCc3cccnc3)cc(-c3cccs3)nc12,0,0,0,0
CCC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)oc(=O)n2C,0,0,0,0
CC(=O)c1cccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)c1,0,0,0,0
CCc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1,0,0,0,0
Cc1cccc(Nc2nc3ccccc3n3c(N)nnc23)c1,0,0,0,0
CC1=CCC(C(C)(C)O)CC1O,0,0,0,0
Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3)[nH]n2)c(O)c1C,0,1,0,0
CC1CC(=O)NN=C1c1ccc2nc(-c3ccccc3Cl)oc2c1,0,0,0,0
Cc1cccc(N(C)S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)c1,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)NC1CCCCC1,0,0,0,0
CCOc1cc(OC(C)C)c(F)c(C(Nc2ccc(C(=N)N)cc2)c2ccccn2)c1,0,0,0,0
O=c1cc(CSc2nnc(COc3ccccc3Cl)o2)nc2sccn12,0,0,0,0
CC1CCC(C(C)C)C(=O)C1=Cc1ccc(N)cc1,0,0,0,0
CC(=O)N1c2ccc(S(=O)(=O)N3CCCCC3)cc2CC1C,0,0,0,0
CC(=O)N1CC(c2cc(-c3cnc4[nH]cc(C(F)(F)F)c4c3)nn2CC2CC2)C1,0,0,0,0
CCOC(=O)C1CCN(C(c2cc(OC)c(OC)c(OC)c2)C2Sc3nc(C)nn3C2=O)CC1,0,0,0,0
Cc1c(C)c2ccc(OCc3ccccc3)cc2oc1=O,0,0,0,0
O=C(c1ccccc1-n1nccn1)N1CC2CN(c3ccc(F)cn3)CC2C1,0,0,0,0
O=[N+]([O-])c1cccc(C2CC(c3ccccc3)=NN2c2ccccc2)c1,0,0,0,0
CCCOc1ccc(-c2cc3[nH]cnc3c(C#N)n2)cc1C(F)(F)F,0,0,0,0
CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
COc1cc2c(Nc3ccc(Cl)c(Cl)c3)ncnc2cc1OCc1csc(CN2CCN(C)CC2)n1,0,0,0,0
COc1ccc(-c2ccc(S(=O)(=O)N(OC(C)C)[C@H](CCN3C(=O)c4ccccc4C3=O)C(=O)NO)cc2)cc1,0,0,0,1
COC1(c2cc(F)cc(OCc3cc(-c4ccccc4)n(-c4ccc(Cl)c(Cl)c4)n3)c2)CCOCC1,0,0,0,0
C[C@H](O)[C@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](NCCCS(=O)(=O)C[C@H]2C[C@H]3c4cccc5[nH]cc(c45)C[C@@H]3N(C)C2)CCCCNC(=O)[C@@H](Cc2ccc(F)cc2)NC1=O,0,0,0,0
CC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](CC)ccc21,0,0,0,0
C=CCN1C(=O)c2ccccc2Sc2ccc(C(=O)N3CCN(C)CC3)cc21,0,0,0,0
COCCNc1nc(-c2ccccc2OC)nc2ccccc12,0,0,0,0
CC(=O)c1sc(Nc2ccc3ccccc3c2)nc1C,0,0,0,0
CCOC(=O)C1=C(COC(=O)COc2ccc(Br)cc2)NC(=O)NC1C,0,0,0,0
Cc1cc(Nc2ncnc3[nH]nc(OCCN4CCC(O)CC4)c23)ccc1OCc1ccccn1,0,0,0,0
Cn1ncc(SCc2ccccc2)c(Cl)c1=O,0,0,0,0
OCc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
c1csc(NC2=NCC3(CN4CCC3CC4)O2)n1,0,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(Br)cc5)ccc4c3=O)cn2)C1,0,0,0,0
COc1cccc(C2C(C#N)=C(N)Oc3cc(C)n(Cc4ccco4)c(=O)c32)c1,0,0,0,0
O=C(O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O,1,0,0,0
O=C(O)c1cc(-c2ccc(N3CCCC3)c(Cl)c2)ncn1,0,0,0,0
Cc1ccc(CNC(=O)CS(=O)(=O)Cc2nc(-c3ccc(C)cc3)oc2C)cc1,1,0,0,0
O=C(c1c(Cl)cccc1C(F)(F)F)c1nc(N2CC[C@@H](C(=O)O)[C@H](O)C2)c2ccccn12,0,0,0,0
O=[N+]([O-])c1ccc(-c2[se]c3ccccc3c2I)cc1,0,0,0,0
COc1cc(/C=C(\C#N)S(=O)(=O)/C(C#N)=C/c2cc(O)c(O)c(OC)c2)cc(O)c1O,0,0,0,0
CNC(=O)c1ccc2n[nH]c(Cc3ccc(-c4cnn(C)c4)cc3)c2c1,0,0,0,0
Cn1c(C(=O)NCC2CCCO2)cc2c(=O)n(C)c3ccccc3c21,1,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(C(F)F)c12)C(=O)NCC(F)(F)F,0,0,0,0
COc1ccc(CCCNC(=O)C2CCC(=O)N(CCc3cccc(F)c3)C2)cc1,1,0,0,0
Cc1ccc(C2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCO)cc1,0,0,0,0
COc1cc(/C=N/n2cnnc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-],0,0,0,0
CC(C)CN(C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)C1CCS(=O)(=O)C1,1,0,0,0
O=C(O)COc1ccc(/C=C/C(=O)c2ccc(C3CCCCC3)cc2)cc1,0,1,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCN(CC2CCCCC2)CC1,0,0,0,0
Cn1ccc(S(=O)(=O)NCc2ccc3c(c2)C(Cc2ccccc2)C(N2CCC2)CC3)c1,0,0,0,0
COCCNCC(=O)Nc1nc(C)cs1,0,0,0,1
CCCCNC(=O)c1ccc2c(=O)n(CCCOCC)c(=S)[nH]c2c1,0,0,0,0
Cc1c([C@@H](O)CN2CCN(C[C@@H](O)c3ccc(C#N)cn3)CC2)ccc2c1COC2=O,0,0,0,0
O=C(O)COc1ccc(Cl)cc1C1c2sc(C3CC3)nc2CCN1C(=O)OCc1ccccc1,0,0,0,0
CCOC(=O)CCC(=O)N(Cc1ccccc1)c1ccc2c(c1)OC(C)(COc1ccc(C(=N)N)cc1)CN2C,0,0,0,0
Brc1ccccc1OCCCCn1cnc2ccccc21.Cl,0,1,0,0
CN(C)CC1CCCCC1OC(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1nn(-c2ccccc2)c(C)c1/C=N/Nc1nc2ccccc2[nH]1,0,1,0,0
Cc1cccc(C)c1NC1=NC(=S)N(c2ccc(C(=O)O)cc2)C12CCCCC2,0,0,0,0
CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc2ccon2)CC1,1,0,0,0
COc1cccc(Nc2nc3ccccc3n3cnnc23)c1,1,0,0,0
CONC(=O)c1cc(Nc2ncnn3cc(-c4nnc(C5CC5)o4)c(C(C)C)c23)c(F)cc1F,0,0,0,1
c1cc(Sc2ccc3c(c2)OCCO3)ccc1NC1=NCCN1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCc4ccccc4Cl)o3)cc2)cc1,1,0,0,0
c1ccc(-c2csc(N3CCN(c4ccccn4)CC3)n2)cc1,0,1,0,0
Cc1ncccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C,0,0,0,0
NCc1cccc(C2CCN(C(=O)c3cn(-c4nccs4)c4ccccc34)CC2)c1,0,0,0,0
COC(=O)CCCN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,0,0,0,0
c1csc(Cc2nc3ccccc3[nH]2)c1,0,0,0,0
CS(=O)(=O)c1ccc(Nc2nn(C3CCCC[C@H]3C#N)cc2C(N)=O)cc1F,0,0,0,0
COc1ccc(C2C3=C(CC(C)(C)CC3=O)Nc3c2c(=O)n(C)c(=O)n3C)cc1OC,0,0,0,0
O=C(NCc1ccco1)c1sc2ccccc2c1Cl,0,1,0,0
COc1ccc(C(c2ccc(OC)cc2)N2CCC(O)(c3ccccc3)CC2)cc1,0,0,0,0
CCCc1[nH]nc2c1C(c1ccc(OC)c(OC)c1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
O=C(O)CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O,0,0,0,0
Cc1ncccc1-c1nnc2n1C[C@H](C)N(Cc1cccc(C(F)(F)F)c1Cl)C2=O,0,0,0,0
COc1ccc(C(=O)N2CCN(C)C(=O)C2C)cc1OC1CCN(C(C)=O)CC1,0,0,0,0
c1cncc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)c1,0,0,0,1
CCNC(=S)NNC(=O)c1csc2c1CCCC2,0,0,0,0
NC(=O)c1cccc2cn(-c3cccc(C(=O)N4CCCNCC4)c3)nc12,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCOCC4)ncn3)c2c1,0,0,0,0
Cc1ccc(N(CC(=O)NCc2ccccn2)S(=O)(=O)c2ccccc2)cc1C,1,0,0,0
CCN(CC)C1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1,0,0,0,0
Cc1c(C)n(C)c2ccc(C(=O)NCc3cccc(F)c3)cc12,1,0,0,0
Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nncn1-2,0,0,0,0
COC(=O)C1(C(=O)OC)NOC2C(=O)N(c3ccc(Cl)cc3Cl)C(=O)C21,1,0,0,0
CCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O,0,0,0,0
CCN(CC)CCCNC(=O)CCc1c(C)nc2c(c1C)c(=O)n(C)c(=O)n2C,0,0,0,0
CCCS(=O)(=O)N1CCC(N2CCC(C3(c4ccc(S(=O)(=O)c5ccc(OC)cc5)cc4)OCCO3)CC2)CC1,0,0,0,0
COc1ccc(-c2coc3c(CN4CCOCC4)c(O)ccc3c2=O)cc1,0,0,0,0
Cc1ccc(C)c(NC(=S)[C-](C(=O)c2ccc(Cl)s2)[n+]2ccccc2)c1,0,0,0,0
CCOC(=O)C1=C(C)C(c2ccccc2O)NC(=O)N1,0,0,0,0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(N)=O,0,0,0,0
Cn1cnc(S(=O)(=O)NCCOc2cccc(C3(Cc4ccccc4)CCN(CCF)C3)c2)c1,0,0,0,0
CC(=O)CC1(O)C(=O)Nc2ccc(-c3c(C)noc3C)cc21,0,0,0,0
Cc1ccc(-c2[nH]c3ccccc3c2SCCN)cc1,0,0,0,0
C=CCn1c(SCC(=O)NC)nc2sc3c(c2c1=O)CCC3,0,0,0,0
CS(=O)(=O)c1cccc(-c2ncnc(N3CC(N)C(c4cc(F)c(F)cc4F)C3)n2)c1,0,0,0,0
CC(=O)Nc1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3C)c2=O)cc1,0,0,0,0
C[C@@H]1CN(c2nc(C(F)(F)F)no2)CCN1c1ncc(OCc2ccc(C[S+](C)[O-])cc2F)cn1,0,0,0,0
COc1ccc(CCN=C(N)NS(=O)(=O)c2ccccc2)cc1,0,0,0,0
FC(F)(F)c1cccc(-c2nnc3ccc(C(F)(F)F)cn23)c1,0,0,0,0
Cc1nc(NC(C)c2cccc(OCc3csc(C)n3)c2)cc(-c2ccc3ncsc3c2)n1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3cnc(OCC4CC4(F)F)cc3C)C2)cc1,0,0,0,0
CCOC(=O)C(C)Oc1ncnc2cccc(F)c12,0,0,0,0
CC1CCc2nc(-c3cc4ccc(O)cc4oc3=O)sc2C1,0,0,0,0
O=S(=O)(c1ccc2nc(SCc3ccc(Cl)cc3)[nH]c2c1)N1CCOCC1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccccc2F)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
O=c1[nH]c(CSc2ncc(C(F)(F)F)cc2Cl)nc2ccccc12,0,0,0,0
Cc1cc(-c2c(F)cc3c(=O)c(Cc4ccc(O)cc4O)cn(C4CC4)c3c2F)cc(C)n1,0,0,0,0
COc1cc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc(OC)c1OC,0,0,0,0
O[C@H](c1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1)C(F)F,0,0,0,0
CN1c2ccc(-c3cnc(N)c(F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O,0,0,0,0
CCC(=O)C(=O)CCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O,0,0,0,1
CN(CCO)c1ncnc2nc[nH]c12,0,0,0,0
O=C(CC1CCCC1)Nc1ccc(Br)cc1,0,1,0,0
O=C(c1cc(Cc2n[nH]c(=O)c3c2CCCC3)ccc1F)N1CCN(C2CCCC2)CC1,0,0,0,0
CC(C)(C)c1cn(C2=NCC(=O)N3CCc4c(cccc4C4CCCO4)C3=C2)cn1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccnc(F)c3)n2)CCC(NCc2ccccc2C#N)CC1,0,0,0,0
Oc1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)cc1,0,0,0,0
O=C1C=C(O)C(n2cncn2)C(c2ccc(F)cc2)C1,0,0,0,0
COc1cccc(-c2n[nH]c3c2C(c2cccc(O)c2)N(C)C3=O)c1,0,0,0,0
CN(C)c1ccc(C(=O)Nc2ccc(CN3CCS(=O)(=O)CC3)cc2)cc1,0,1,0,0
CCCn1c2ccc(C)cc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
CCC(CC)Sc1nc2cc(N3CCNCC3)c(Cl)cc2[nH]1,0,0,0,0
CC(C)S(=O)(=O)N1CCc2c(c(-c3ccc(C(F)(F)F)c(SCCN4CCC(F)CC4)c3)nn2C[C@@H](O)CN2CCCCC2)C1,0,0,0,0
COC(=O)NC(Nc1sc2c(c1C(N)=O)CCCC2)(C(=O)OC)C(F)(F)F,0,0,0,0
O=C(O)CCNC(=O)c1ccc(CC(c2ccc(Cl)cc2)c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1,0,0,0,0
CC(C)Cn1c(=S)[nH]c2cc(C(=O)O)ccc2c1=O,0,0,0,0
Fc1ccc(NC(=S)N/N=C/c2cccc(Br)c2)c(F)c1,1,0,0,0
COc1cc2ncc3c(N)nc4cc(N)ccc4c3c2cc1OC,0,0,0,0
O=C(c1ccc2ccccc2c1)C1CCCN(C(=O)CN2C(=O)CSC2=O)C1,1,0,0,0
O=c1nc[nH]c(O)c1C(c1ccc(F)cc1)c1c(O)[nH]cnc1=O,0,0,0,0
Cc1nc2c(s1)-c1nc(N(C)c3cccc([N+](=O)[O-])c3)ncc1CC2,0,0,0,0
CC(=O)NCCCOc1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1C(=O)O,0,0,0,0
Cc1cc(Nc2cccc(Cl)c2)n2ncnc2n1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5nccc(CO)n5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)CO)C[C@@H]1F,0,0,0,0
COCCC(=O)Oc1cc(O)c(-c2nnc(OC(=O)CCOC)n2-c2ccc3c(ccn3C)c2)cc1C(C)C,0,0,0,0
COc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1OC,1,0,0,0
C/C(=N\Nc1cccc2cccnc12)c1ccc(C)cc1,0,1,0,0
CCOC(=O)CSc1nc2ccc(N3CCOCC3)cc2c(=O)n1Cc1ccccc1,1,0,0,0
CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC(C)(C)SC2,1,0,0,0
CCCc1cnc(N2CCN(C(=O)c3ccccc3)CC2)nc1,0,0,0,0
NC(=O)c1cccc2c1C(=O)N(CC1CCCNC1)C2,0,0,0,0
Cc1ccc(C2=NN(CC(=O)NCCN(CC(C)C)CC(C)C)C(=O)CC2)cc1,0,0,0,0
C=C(C)Cn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
CCOc1cc2c(cc1OCC)C(C(=O)O)C(c1cc(Br)c(O)c(OC)c1)N(C)C2=O,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(OC(F)F)cc2)n1,0,0,0,0
CN(Cc1ccccc1)c1ccc(C(=O)O)cc1[N+](=O)[O-],0,0,0,0
CC1=C2C(=O)CC(=COC3OC(CO)C(O)C(O)C3O)C2C2OC(=O)C(C)C2CC1,0,0,1,0
O=[N+]([O-])c1ccc(N2CCCCCC2)c(S(=O)(=O)N2CCCCC2)c1,0,0,0,0
Cc1cccc(Cn2c(CN3CCCC(C)C3)nc3c2c(=O)n(C)c(=O)n3C)c1,0,0,0,0
COc1cccc(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CN1CC(=O)N2Cc3[nH]c4ccccc4c3CC2C1=O,0,0,0,0
Cc1cccc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
C[C@@](NCc1ccccc1)(c1cn(C2(C#N)CC2)nn1)C1CCCCC1,0,0,0,0
C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2cccc(C(F)(F)F)c2)C1=O,0,0,0,0
O=C1NCCc2nc(C#Cc3ccccc3)sc21,0,0,0,0
CC1=CC(=O)CC(C)(C)C1CCC(C)OC1OC(CO)C(O)C(O)C1O,0,0,1,0
CCOc1cc(CNc2ccccc2SC)ccc1O,0,0,0,0
Cc1cnc2c(NCCN)nc3cc(-c4cccnc4)sc3n12,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ccc(F)cn2)ccc1Oc1cncc(Cl)c1,0,0,0,0
Cc1cccc(CCNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)c1,0,0,0,0
CN(C)S(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1,0,0,0,0
C=CCn1c(=O)c2ccccc2n2c(SCc3nnc(-c4ccccc4Br)o3)nnc12,0,0,0,0
Cc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1,0,0,0,0
O=S(=O)(c1ccc(-c2ccnc(Nc3ccc4ncsc4c3)n2)cc1)N1CCOCC1,0,0,0,0
CN1CCN(C(=O)c2cnc(=O)[nH]c2Nc2cc(Cl)ccc2Cl)c2ccccc21,0,0,0,0
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2Cl)cc1,0,1,0,0
CCC1CN(C(=O)N2CCC(C(=O)NCc3ccc(C)o3)CC2)c2cc(C)ccc2O1,1,0,0,0
CCOC(=O)c1cnc2ccc(OC)cc2c1Nc1ccc2c(c1)OCCO2,0,0,0,0
COc1ccccc1-n1c(-c2ccc(O)cc2C)cn2c3c(=O)[nH]c(=O)n(C)c3nc12,0,0,0,0
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(CNCCCc4ccccc4)c3)cc21,0,0,0,0
CS(=O)(=O)c1cc(-c2cc(C3[C@H]4CN(C5CCC5)C[C@@H]34)n(C3CCCC3)n2)cnc1N,0,0,0,0
Cc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCCC2)c1,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3cc(F)c(O)c(F)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2\SC(N)=NC2=O)ccc1OC(C)C,0,0,0,0
C=C1C(=O)O[C@@H]2C3[C@@H](C)[C@@H](OC(=O)/C=C/c4ccco4)CC[C@]3(C)CC[C@@H]12,0,0,1,0
Cc1ncn(CC(=O)NCCO)c1Cn1c(C)ccc(NS(=O)(=O)Cc2ccccc2)c1=O,0,0,0,0
O=C(Oc1ccc([N+](=O)[O-])cc1)N1C[C@@H]2C(c3ccn(-c4ccc(F)cc4)n3)[C@@H]2C1,0,0,1,0
O=C(c1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1,0,0,0,0
O=C(O)CN1C(=O)/C(=C/Nc2ccccc2)SC1=S,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1ccccc1,0,0,0,0
Cc1ccc(-c2csc(=Nc3ccc(C(=O)O)cc3)n2Cc2ccccc2)cc1,0,0,0,0
COc1ccc(NC(=O)c2ccc3c(SCC(=O)O)c4c(nc3c2)CCCC4)c(OC)c1,1,0,0,0
CNC(C)C#Cc1ccc2sc3cccc(OC)c3c(=O)c2c1,1,0,0,0
CN1CCOCCOCCN(C)C(=O)N2CCOCCOCCN(CCOCC2)C1=O,0,0,0,0
CCOc1ccc(Nc2nc(O)c3c(n2)CCCC3)cc1,1,0,0,0
COc1ccc(C(C)=NNC(=S)Nc2cc(C)ccc2C)cc1,0,0,0,0
COc1ccc2ccc(-c3cncnc3)c(Cl)c2c1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCC(C)c1ccccc1,0,0,0,0
COc1ccc(CN2CCN(Cc3ccccc3F)CC2)cc1,0,0,0,0
CC(=O)c1cc(F)c(N2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc1C,0,0,0,0
Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(Cc3ccccc3)C2=O)cc1,0,0,0,0
COc1cc(C2CC(=O)N(Cc3cccc(F)c3)c3ccccc3S2)cc(OC)c1OC,1,0,0,0
COC(=O)c1cc(OC)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(C(=O)c2ccc(O)cc2O)C(C)c2ccccc2)cc1,0,0,0,0
CO[C@H]1C(=O)N2C(C(=O)NCCCC(=O)OC(C)(C)C)=C(COC(C)=O)CS(=O)(=O)[C@H]12,0,0,0,0
O=C(O)c1n[nH]c2c1CC(C1CCCCC1)CC2,0,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1NC1CN(C)C1,0,0,0,0
CCOC(=O)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccccc4)cc(C)c3CC[C@@H]12,0,0,1,0
CCN(CC)C(=O)CSc1nc2ccc(NC(=O)CSc3nnc(N)s3)cc2s1,0,0,0,1
CCOc1ccccc1N(CC(=O)NC1CCCC1)C(=O)CCC(=O)Nc1cc(C)on1,1,0,0,0
CCOc1ccc(-c2nn3c(-c4ccc(OC)cc4)nnc3s2)cc1,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)CSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O,0,0,0,0
c1cc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)ccn1,0,0,0,0
O=C(c1cc2c(cc1F)OC(c1ccc(F)cc1)(c1ccc(Cl)cc1Cl)O2)N1CCCCC1,0,0,0,0
Brc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c(Br)c1,0,0,0,0
O=C1CC(N2C(=O)/C(=C/C=C/c3ccccc3)SC2=S)C(=O)N1c1ccccc1,1,0,0,0
C[C@H](/C=C\C(F)(F)F)Oc1cc(-c2cc(-c3cc(CN(C)C)cs3)cnc2N)ccc1C(N)=O,0,0,0,1
Cc1c(CC(=O)O)c(=O)oc2c(C)c(OCc3ccc(F)cc3Cl)ccc12,0,0,0,0
C#CCNC(=O)C1=CC(c2cn(C(C)=O)c3ccccc23)CC(OCc2ccc(CO)cc2)O1,1,0,0,0
Nc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1,0,0,0,0
Cc1c(Cc2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CC1=C(C(=O)OC(C)C)C(c2cn(-c3ccccc3)nc2-c2cccs2)NC(=O)N1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(CCC(N)=O)cc2)S1)c1ccc(F)cc1,0,0,0,0
O=C(c1ccccn1)N1CCc2c(c(-c3ccc(Cl)c(C#Cc4ccc(Cl)cc4)c3)nn2CCCN2CCOCC2)C1,0,0,0,0
COC(=O)c1c(C(=O)NCc2ccccc2)ncn1CC(O)COc1ccccc1,1,0,0,0
Cc1c(C(=O)NCc2ccccn2)oc2ccc(S(=O)(=O)N3CCC4(CC3)OCCO4)cc12,1,0,0,0
CNC(=O)CCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCC(C(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F,0,0,0,0
CCn1cc(C(=O)Nc2nncs2)c(=O)c2cc(F)c(N3CCN(C(=O)c4ccco4)CC3)cc21,1,0,0,0
Cc1nc(-c2cc(C(=O)N3CCC(F)(c4ccc(C#N)cc4)CC3)ccc2C)c(Cl)[nH]1,0,0,0,0
Cc1cc(C)c2c(N=NN3CCCCC3)[nH]nc2n1,0,1,0,0
CCOC(=O)CCN1C(=O)[C@H]2[C@@H]3[C@H](O)[C@H](O)CC(=O)[C@H]3CC[C@H]2C1=O,0,0,0,0
Cc1ccc(S(=O)(=O)NCc2ccncc2)cc1C,0,0,0,0
[C-]#[N+]c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,0,0,0,0
CCN(CC)CCNCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1,0,0,0,0
CN(C)c1ccc(C(=O)O)c(Oc2nc(Oc3cccc(-c4cccc(CN)c4)c3)c(F)cc2F)c1,0,0,0,0
COc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1OC,0,0,0,0
C/C(=C\c1cc(F)c(Oc2ccc(S(=O)(=O)NCCOCCOCCOCCNCc3ccc(CNCCOCCOCCOCCNS(=O)(=O)c4ccc(Oc5c(F)cc(/C=C(\C)C(=O)NC(=N)N)cc5F)cc4)cc3)cc2)c(F)c1)C(=O)NC(=N)N,0,0,0,0
CC(=O)c1sc2c(c1N)c(=O)[nH]c(=O)n2-c1ccccc1,0,0,0,0
CCN1C(=O)C2C(c3ccc(Cl)cc3)N3C(=O)CN(Cc4ccccc4)C(=O)C3(C)C2C1=O,0,0,0,0
Cc1ccc(-c2ccc(C=NN=C(S)Nc3ccccc3)o2)cc1[N+](=O)[O-],1,0,0,0
CC(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
CC1(C)OCC(C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)O1,0,0,0,0
O=C(O)CCc1ccc(NCc2cccc(-c3ccccc3)c2)cc1,0,0,0,0
O=C(c1cccc(Cl)c1)N1CCC2(CC1)NCCc1nc[nH]c12,0,0,0,0
O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCN(S(=O)(=O)C=Cc2ccccc2)CC1,1,0,0,0
FC(F)(F)c1nnc2c(Sc3ccccc3)nc3ccc(Cl)cc3n12,0,0,0,0
O=c1c([N+](=O)[O-])cccn1Cc1ccccc1Cl,0,0,0,0
[C-]#[N+]c1cccc(-c2cc3nc(N)nc(N)c3cc2C)c1,0,0,0,0
CC1=NC(=N)S/C1=N\Nc1ccc(F)cc1,1,0,0,0
CCc1ccc(OCC(=O)NC(N=C(S)Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,1,0,0,0
N[C@H]1CCCN(c2nc(-c3n[nH]c4cnc(-c5cccnc5)cc34)ccc2C2CC2)C1,0,0,0,0
N#Cc1c[nH]n2c(NC3CCCC3)c(-c3cccc(Cl)c3)nc12,0,0,0,0
COc1ccc(N(C)C(=O)c2ccc3c(Cl)c4c(nc3c2)CCCC4)c(OC)c1,1,0,0,0
N=C(N)Nc1ccc(CC(N)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1,0,0,1,0
CC(C)CC(NC(=O)N1CCn2c1nc1ccccc12)C(=O)NCC1CCCO1,1,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCCN(C)C)c3nc4c(F)cc(F)cc4s3)cc2)CC1,1,0,0,0
CCCC(=O)Nc1nc(CC(=O)OCC)cs1,0,0,0,0
COc1ccc(-n2c(=O)c(-c3cc(F)cc(F)c3)nc3cncnc32)cc1,0,0,0,0
COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(ccc(C)c35)C(N)=N4)cc2)cc1,0,0,0,0
CCOC(=O)C1=NNC2C(=O)N(CC)C(=O)C12,0,0,0,0
CS(=O)(=O)N1CCc2cc(C(=O)N3CCOCC3)ccc21,0,0,0,0
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC[C@H](F)C3)cc2n1,0,0,0,0
O=c1nc(NOCCCc2cccnc2)ccn1[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O,0,0,0,0
CCN1CCCC1CNC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c1c1ccccc1n2C,1,0,0,0
Cc1[nH]c(NCc2ccco2)nc(=O)c1CCC(C)C,0,0,0,0
CN(C)c1ccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)cc1,0,0,0,0
Cc1ccc2nc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)oc2c1,0,1,0,0
Cc1ccc(C=C2SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1,0,0,0,0
O=C(Nc1cnn(C23CC4CC(CC(C4)C2)C3)c1)c1cnn2cccnc12,1,1,0,0
O=C1CN(C(=O)CSc2nnc3ccccn23)c2ccccc2N1,0,0,0,0
c1ccc(-c2cc(CSc3nc4ccccc4[nH]3)on2)cc1,0,0,0,0
NC1(c2ccc(-c3nn4cccc4cc3-c3ccccc3)cc2)CCC1,0,0,0,0
CC1(C)C(=O)NCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1,0,0,0,0
CC1=C(C(=O)Nc2ccc(Cl)cc2)C(c2ccccc2C)n2ncc(C(=O)Nc3ccc(C)cc3)c2N1,1,0,0,0
Cc1cc2[nH]c(CSc3ccc(Cl)cc3)cc(=O)n2n1,0,0,0,0
Nc1nc(SCc2nc3scc(-c4cccs4)c3c(=O)[nH]2)n[nH]1,0,0,0,0
Cc1ccccc1C(=O)c1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(C(C)C)cc12,0,0,0,0
CCOC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1C,1,0,0,0
COc1ccc2c(c1)OC(=Cc1ccco1)C2=O,0,0,0,0
O=C(O)Cc1cn(C(c2ccc(F)cc2)c2ccc(F)cc2)nc1-c1ccncc1,0,0,0,0
COc1ccc(N2C(=O)/C(=C/c3ccc(O)cc3)OC2=S)cc1,0,0,0,0
CNC(=O)CNC(=O)c1sc2ncnc(Nc3cccnc3OC(C)C)c2c1C,0,0,0,0
CCN(CC)c1ccc(NS(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)c(C)c1,1,0,0,0
Cc1ccc(C(=O)ON=C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1,1,1,0,0
COc1cccc(CNc2ccc(S(N)(=O)=O)cc2)c1OC,0,0,0,0
COC(=O)Cc1cc(C)cc2c(=O)cc(-c3ccoc3)oc12,0,0,0,0
CCCCN(C)C(=O)CCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
NS(=O)(=O)c1cccc2cc(N=Nc3cccc4c(S(=O)(=O)O)cccc34)ccc12,0,0,0,0
C[C@H]1COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C#N)cn1c23,0,0,0,0
COc1cc(Nc2nccc(Nc3ccc4c(c3)NCC4(C)C)n2)cc(OC)c1OC,0,0,0,0
Cc1cc(C)cc(Nc2cc(C)nc3nc(C)nn23)c1,1,0,0,0
Cc1cccc(N(Cc2ccccc2)C(=O)CCl)c1,0,0,0,0
Nc1cc(=O)nc(SCc2ccc(Cl)cc2)[nH]1,0,0,0,0
Cc1ccc(-c2nn(-c3ccccc3)cc2C=C2C(=O)CC(C)(C)CC2=O)cc1,0,1,0,0
CCCc1nc(C)c2c(NC(N)=O)nc3ccc(OC)nc3n12,0,0,0,0
COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)cc1,1,1,0,0
Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(C#N)cc1,0,0,0,0
Cc1nc2nc(-c3ccc(Cl)cc3)[nH]n2c(=O)c1C,0,1,0,0
COc1ccc(N2C(=O)/C(=C\c3ccco3)N=C2SCC(=O)NC(C)C)cc1Cl,0,0,0,0
O=C(Nc1ccc2c(c1)CCC2)c1cc(F)cc(F)c1,0,1,0,0
COc1ccccc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1Cl)C2,0,0,0,0
Nc1cc(-c2cc(C(F)(F)F)ccc2Oc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2Cl)ccn1,0,0,0,0
O=C1NC2(CCCC2)N=C1c1ccc(Cl)cc1,0,0,0,0
CC(C)(c1ccc(Nc2nn([C@@H]3CC[C@@H](O)C[C@H]3C#N)cc2C(N)=O)cc1)C(O)C(F)(F)F,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1,1,0,0,0
CCN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
CC(C)N1CCN(Cc2ccc(C#CCCO)cc2)CC1CCO,0,0,0,0
CC(C)c1c(C(=O)c2ccc(C(F)(F)F)cc2)c(C2CCCC2)nc2c1[C@@H](O)CC(C)(C)C2,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)NCCCF)c12,0,0,0,0
COc1ccc(Nc2nc3ccccc3n3cnnc23)cc1Cl,0,0,0,0
O=c1[nH]ccc2c(Nc3c(Cl)cc(C(O)C(F)F)cc3Cl)nc3ccncc3c12,0,0,0,0
O=C(C1CCN(c2nc3ccc(Br)cc3s2)CC1)N1CCC2(CC1)OCCO2,1,1,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3)CC2)n[nH]1,0,0,0,0
Cc1c(C)c2ccc(O)c(CN3CCN(C)CC3)c2oc1=O,0,0,0,0
CCNC(=S)N/N=C1\C(=O)c2cccc3cccc1c23,1,0,0,0
CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(-c2cc(Cl)cc(F)c2-c2noc(C)n2)cc1F,0,0,0,0
c1ccc(-c2n[nH]cc2-n2cncn2)cc1,0,0,0,0
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)c1,0,1,0,0
Cc1sc2nc(CSc3ccccc3)nc(NCCN(C)C)c2c1C,0,0,0,0
COc1ccc(S(=O)(=O)N(Nc2ccccc2)C(=O)Oc2ccc3c(c2)CCC3)cc1,0,0,0,0
COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)N4CCN(C(=O)c5ccco5)CC4)n3)cc2)cc1,1,1,0,0
COc1cc2ncc3c(N)nc4c(C)c(N)ccc4c3c2cc1OC,0,0,0,0
COc1ccc(-n2c(SC)nc(O)cc2=O)cc1,0,0,0,0
O=C(CCC(=O)c1ccc[nH]1)c1ccc(Cl)cc1,1,1,0,0
O=C1c2ccccc2NC2(CCCC2)N1NS(=O)(=O)c1ccccc1,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)CC1,0,0,0,0
Nc1ccc2ncncc2c1,0,0,0,0
CCCC(=O)c1ccc(N2CCOCC2)c(F)c1,0,0,0,0
CC(=O)Nc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1,0,0,0,0
CCOC(=O)c1cnn2cc(-c3[nH]ncc3[N+](=O)[O-])cnc12,0,0,0,0
C=CCn1c(SCc2nc(=O)c3ccccc3[nH]2)nc2sc3c(c2c1=O)CCCC3,0,0,0,0
COc1ccc(Cl)cc1C(=O)C1CCCN(Cc2cnc(N3CCOCC3)s2)C1,1,0,0,0
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)cc1,1,0,0,0
CN(C)C(=O)c1cc2cc(Nc3nccc(-c4cn(C)cn4)n3)cc(SCc3ccco3)c2[nH]1,0,0,0,0
COc1ccc(C)cc1COC(=O)c1[nH]c(C)c(C(C)=O)c1C,0,0,0,0
CCc1ccc(-n2nnc(-c3nc(-c4ccccc4)no3)c2C)cc1,0,1,0,0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1,0,0,0,0
CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](O)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O,0,0,0,0
CC1(C)NC(=O)c2ccc(-n3c(=O)[nH]c4ncccc43)cc2N1CC1CC1,0,0,0,0
O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4cnc(N5CC(F)(F)C5)nc4)ccn23)c1,0,0,0,0
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1,0,0,0,0
CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1,0,0,0,0
CC(C)OCCCNc1ncc2c(n1)CC(c1ccccc1)CC2=O,0,0,0,0
C=CCN1C(=O)/C(=C/c2cc(C)n(-c3ccccn3)c2C)C(=O)NC1=S,0,0,0,0
CC(C)CN1CCCC2(CCN(C(=O)c3ccncc3)CC2)C1,1,0,0,0
NC1(c2ccc(-c3nc4ccc(-c5ccncc5)cn4c3-c3ccccc3)cc2)CCC1,0,0,0,0
COc1ccccc1N1CCN(CCn2c(=O)c3c(-c4ccccc4)csc3n(C)c2=O)CC1,0,0,0,0
N#CCSc1nnc(-c2ccc3c(c2)OCO3)o1,0,0,0,0
COc1cccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccc(F)cc2)c1,0,0,0,0
CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCC(O)CC3)c2)c2nccc(-c3cnc4c(ccn4C)c3)c12,0,0,0,0
Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12,0,1,0,0
CCCOC(=O)c1ccc(Oc2coc3c(CN(CC)CC)c(O)ccc3c2=O)cc1,0,0,0,0
O=c1ccsn1Cc1ccccc1,0,0,0,0
COc1ccc(C2C3=C(CC(C)(C)CC3=O)N=C3NN=C(C)C32)cc1,0,0,0,0
OCCC1CN(Cc2cnc(-c3ccccc3)s2)CCN1C1CCCC1,0,0,0,0
COc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
O=C1COc2ccccc2N1CC(O)CN1CCc2ccccc2C1,0,0,0,0
CCNc1ncc2nc(-c3cc(F)cc(F)c3)c(=O)n(CCC#N)c2n1,0,0,0,0
Clc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CCc1c(C)sc2c1CCN(C(=O)Nc1cc(OC)c(OC)c(OC)c1)C2c1ccccc1,1,0,0,0
CC1c2nnn(-c3cncnc3)c2CCN1C(=O)c1cccc(C(F)(F)F)c1Cl,0,0,0,0
Cc1ccc(/C=N/n2c(C3CCCCC3)n[nH]c2=S)o1,0,0,0,0
CCOC(=O)CNC(=O)CSc1nc2cccnc2n1C,0,0,0,0
CCCCN(C)c1cnc2ccc3ccc(NS(C)(=O)=O)cc3c(=O)c2c1,0,0,0,0
CC(C)CC(=O)N1CCN(Cc2ccccc2Br)CC1,0,0,0,0
O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCN(C4CCC4)CC3)cc2N1c1c(Cl)cccc1Cl,0,0,0,0
N#Cc1cc(F)cc(N2CCn3nc(-c4ccccn4)nc3C2)c1,0,0,0,0
O=C1NC(c2ccccc2Cl)=N/C1=C/c1ccco1,0,1,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3cccc(Br)c3)c2)on1,0,0,0,0
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)C(c3cccc(F)c3)C1CC2,0,0,0,0
C=CCn1c(SCc2cc(C(=O)OC)c(C)o2)nnc1-c1ccncc1,0,0,0,1
CC(=O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
O=C(Nc1ccc(Br)cc1)c1ccc(F)c(S(=O)(=O)N2CCCc3ccccc32)c1,1,0,0,0
Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccc3c(c2)NC(=O)CO3)c1,0,0,0,0
CCOC(=O)NN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nc(C)c(C)n5CC)c(Cl)c4)c3cc2OC)CC1,0,0,0,0
Cc1c(N=C2SCC(=O)N2N=Cc2ccccc2Cl)c(=O)n(-c2ccccc2)n1C,0,0,0,0
O=C(O)c1ccc2c(c1)-c1cc(C(=O)O)ccc1S2(=O)=O,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1,0,0,0,0
CCCCCCCCCCCCN1[C@@H](CC(C)=O)c2cc(C(F)(F)F)ccc2S1(=O)=O,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)C(F)(F)F)[nH]2)cn1,0,0,0,0
CNC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(Cl)c(O)c(OC)c4)cc23)CC1,0,0,0,0
S=C(N/N=C/c1ccc(Cl)cc1)N1CCOCC1,0,0,0,0
COc1cc(C)c(Br)cc1S(=O)(=O)NCc1ccncc1,0,0,0,0
CC(C)CNc1nccn2c(-c3ccc(C(=O)NC(C)C)cc3)cnc12,0,0,0,0
O=C(O)CCc1ccc(NCc2ccc(Cl)cc2)cc1,0,0,0,0
Cn1c(=O)[nH]c(=O)c2c1ncn2CCN1CCOCC1,0,0,0,0
CCSCCOC(=O)C1=C(C)NC(=O)NC1c1cccc(OC)c1OC,0,0,0,0
CN(C)CCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3CNC(C)=O)nc2-c2ccc(C)cc2)c1,0,0,0,0
COc1cc(N2Cc3ccc(-c4ccc(C(C)C)cc4)nc3C2=O)ccc1OCCN1CCCC1,0,0,0,0
NNC(=O)/C(=N/Nc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,1,0,0,0
Cn1c2c(c(=O)n(C)c1=O)C1c3ccccc3OCC1C(C)(C)O2,0,0,0,0
COc1ccccc1S(=O)(=O)NCCc1c(CCCc2ccc(C(=O)O)cc2)c2cc(Cl)ccc2n1C(c1ccccc1)c1ccccc1,0,0,0,0
CCOC(=O)C1=C(COC(=O)CCc2ccccc2)NC(=O)NC1C,0,0,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCC(C)CC3)cc2)c2ccc(O)cc12,0,0,0,0
N#Cc1nc(-c2ccc(OCCO)c(C(F)(F)F)c2)cc2[nH]cnc12,0,0,0,0
COCC1CCN(C(=O)CC2C(=O)NCCN2Cc2cccc(Oc3ccccc3)c2)CC1,1,0,0,0
O=C(O)c1ccc(Nc2nc3ccccc3n3cnnc23)cc1,0,1,0,0
COc1ccc(C2CC(=O)N(Cc3ccc(F)cc3)c3ccccc3S2)cc1,0,0,0,0
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N1CCN(c3ncc(Br)cn3)CC1)C(=O)C2,0,0,0,0
Cc1ccc(CN2CCN(Cc3ccccc3F)CC2)cc1,0,0,0,0
O=C(O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3,0,0,0,0
Cn1c2c(c3cc(S(=O)(=O)c4cc(Cl)ccn4)ccc31)C1CCC(C2)N1,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2OC)c1,0,0,0,0
O=S(=O)(Nc1cccc2c1CCCC2)c1ccc(Cl)cc1,0,0,0,0
CCCCN1Cc2c([nH]c3cc(-c4ccco4)nn3c2=O)C1=O,0,0,0,0
FC(F)(F)c1cc(Cl)c2nnc(C(F)(F)Cl)n2c1,0,0,0,0
Cc1ccc(-c2nnc(SCc3ccc(C#N)cc3)n2Cc2ccco2)cc1,0,0,0,0
COc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c(Cl)cccc23)c1,1,0,0,0
C[C@@H]1CCN(c2ncc3cc(F)ccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,0,0,0,0
NC(=O)Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
O=C(c1ccc(=O)[nH]n1)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1,0,0,0,0
Cc1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1,0,0,0,0
COc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C)c(F)c2)cc1,1,0,0,0
CN1CCN(Cc2ccc(-c3cc4ncc(C#N)c(Oc5ccc(Cl)cc5Cl)c4s3)cc2)CC1,0,0,0,0
OCCn1cc(-c2cc(F)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CCN(CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)C1c1ccco1,0,0,0,0
CC(N)=C(C#N)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,0,0,0,0
COc1cc(-c2c(-c3ccc4c(c3)OCO4)noc2-c2ccsc2)ccc1F,0,0,0,0
Cn1cc(-c2cc3c(-c4cccc(NCC5CCNCC5)n4)n[nH]c3cn2)cn1,0,0,0,0
COCc1nc2sc(C)c(C)c2c(=O)[nH]1,0,0,0,0
Cc1cc(Nc2nc(Cl)c(Cl)cc2Cl)n(-c2ccccc2)n1,0,0,0,0
CCC(=O)Nc1ccc2nc(C3CC3)n(Cc3ccc(C(C)(C)C)cc3)c(=O)c2c1,0,1,0,0
Clc1ccc(Nc2nc(SCC3CCCCC3)n[nH]2)cc1,0,0,0,0
CN(c1ccccc1)c1ccc2cc(-c3n[nH]c4ccccc34)[nH]c2c1,0,0,0,0
Cc1cc(/C=C2\SC(=S)NC2=O)c(C)n1-c1ccc(O)cc1,1,1,0,0
CCOc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C)c3)cn2CCN2CCC2)CC1,0,0,0,0
COc1nccc2c1c1ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c1n2C,0,0,0,0
CCOc1ccc(Cn2nnc(C(=O)NCCc3ccc(Cl)cc3)c2N)cc1,1,0,0,0
CSc1ccccc1NC(=O)c1cnc2scc(C)n2c1=O,1,0,0,0
O=C1NC(=O)C(Cc2nnc(C(NC(=O)c3ccc(C(F)(F)F)cc3)c3nc4c(F)cc(-c5ccccc5)cc4s3)o2)S1,0,0,0,0
Cn1c(-c2ccccc2Br)n[nH]c1=S,0,0,0,0
N#Cc1cc2c(nc1SCC(=O)O)CCCCC2,0,0,0,0
Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NC(C)(C)CO)ncc23)ccn1,0,0,0,0
Cn1c(=O)c2c(nc(N3CCCCCC3)n2CC(O)COc2ccccc2)n(C)c1=O,1,0,0,0
CCc1ccc(Nc2nnc(SCC(=O)Nc3ccc(C(=O)O)cc3)s2)cc1,0,1,0,0
CC1CN(CC(O)COC2CCC(C(C)(C)C)CC2)CC(C)O1,1,0,0,0
CCc1ccc(C=C2SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1,1,0,0,0
COC(=O)CNC(=O)C1(Cc2ccccc2)C=CC(C)N1C(=O)c1ccccc1,1,0,0,0
COc1nc(Nc2nc(=O)c3ccccc3[nH]2)nc2ccc(C)cc12,0,0,0,0
COC(=O)c1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCOCC4)cc3[nH]2)c1,0,0,0,0
Oc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCN(Cc5ccc(F)cc5)CC4)c3n2)c1,0,0,0,0
O=[N+]([O-])c1cccc(-c2c[n+]3c(n2-c2ccccc2)SCC3)c1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccc(OC(F)F)cc1)NC2,1,0,0,0
CC[C@H]1CC2NC(=O)CC[C@]2(C)C2CC[C@]3(C)C(C(C)CCCC(C)C)CCC3C21,0,0,0,0
CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)sc(C)c1C,1,0,0,0
CCCCC(=O)Nc1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1,0,1,0,0
NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2cc[nH]c12,0,0,0,0
Fc1ccc(OCCCN2CCN(c3ncc(F)cn3)CC2)cc1,0,0,0,0
CCN1CCN(C(=O)c2ccc(C[S+]([O-])Cc3ccc(C)cc3)o2)CC1,0,0,0,0
COc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1OC,0,0,0,0
Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1/C=N/NC(=O)CNc1cccc(C(F)(F)F)c1,1,0,0,0
Cc1ccc(C)c(Nc2cc(C)nc3ncnn23)c1,0,0,0,0
CSC(=Nc1cccc(Cl)c1C)NS(=O)(=O)c1cccs1,0,0,0,0
O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
CC(=O)c1cnc2cc(F)c(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
O=C(O)c1ccc2c(c1)C(=O)N(c1cc([N+](=O)[O-])ccn1)C2=O,0,0,0,0
CC(=O)N[C@@H](CCN1[C@@H]2CC[C@H]1CC(n1c(C)nc3c1CN(Cc1ccccc1)CC3)C2)c1ccccc1,0,0,0,0
CC1=C(C(=O)OCCc2ccccc2)C(c2ccsc2)NC(=O)N1C,0,0,0,0
O=C(c1cccc(Br)c1)n1cc(-c2ccc(Cl)nn2)c2ccccc21,0,0,0,0
CC(=O)NC[C@H](NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)C(C)C)C1CCCCC1,0,0,1,0
Cc1ccsc1C(=O)C1CCCN(Cc2cnc(N)nc2)C1,0,0,0,0
CSc1ncc2c(n1)-c1c(c(C(N)=O)cn1C1CCNCC1)CC2,0,0,0,0
C[C@@H]1CCC[C@H](C)N1CCNc1cn(Cc2ccc(F)cc2)nn1,0,0,0,0
CNC(=O)C(=O)CCCCCCC(=O)Nc1nc(-c2cccnc2)cs1,0,0,0,1
Cc1ccc(/C=N\n2c(-c3ccccc3)n[nH]c2=S)s1,0,0,0,0
Cc1cnc(-c2cc(N3CCC(NS(C)(=O)=O)CC3)ncc2Cl)c(C)c1,0,0,0,0
CCC1(CCCCN2CCc3sccc3C2)C(=O)Nc2ccccc21,0,0,0,0
Cc1nc2ccccc2c2oc(C(=O)N3CCc4ccccc43)cc12,0,0,0,0
CCOCCCn1c(-c2ccc(Cl)cc2)n[nH]c1=S,0,0,0,0
CCOC(=O)c1ncn2c1Cc1cnc(C3CC3)nc1-c1cc(F)ccc1-2,0,0,0,0
COC(=O)C(C)C1CCC2(C)C(=O)C=CC(C)(O)C2C1O,0,0,1,0
CCC1(CC)OC(=N[C@@H](C)c2ccccc2C(F)(F)F)NC1=O,0,0,0,0
N#Cc1ccc(C(=O)N2CCN(C(=O)c3csc(Cc4n[nH]c(=O)c5ccccc45)c3)CC2)cc1,0,0,0,0
Nc1cnc(-c2ccc(C3CCC3)c(OCC(O)Cn3ccnc3)c2F)cn1,0,0,0,0
O=C(Nc1ccccc1)c1ccc(NCCN2CCOCC2)c(S(=O)(=O)N2CCOCC2)c1,1,0,0,0
CCCCCCCN(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CNCCS(C)(=O)=O)cc1,0,0,0,0
CC1CCN(C(=O)C2CCN(c3ncnc4c3nc3n4CCCCC3)CC2)CC1,1,0,0,0
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(CCO)C3)cc12,0,0,0,0
C[C@H]1CN2CCN(Cc3ccc(O)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
CC(CNS(=O)(=O)C(C)C)C1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
Brc1ccc(-c2nnc(SCCC3OCCCO3)o2)cc1,0,1,0,0
CC(=NCCc1c(C)[nH]c2ccc(C)cc12)C1=C(O)CC(c2ccccc2)CC1=O,0,0,0,0
CN1C(=O)CCC1c1cc2[nH]c(-c3cnccn3)cc2cc1Oc1ccc(CCC(=O)O)cc1,0,0,0,0
CCN1CCN(C(=O)COc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)CC1,1,0,0,0
CC(C)(C)c1ccc(-c2csc(NC(=O)CN3C(=O)NC4(CCCCC4)C3=O)n2)cc1,1,0,0,0
CC(O)c1ccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)cc1,0,0,0,0
Cc1cccc(N(Cc2ccccc2)C(=O)c2ccccc2S(C)(=O)=O)c1,1,0,0,0
O=c1[nH]c(Cc2ccccc2-n2cc(C(F)(F)F)cn2)nc2c1cnn2C1CCOCC1,0,0,0,0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(C)cc2)cc1,0,0,0,0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(NO)=N2,0,0,0,0
O=C1OC(C(=O)O)Cc2ccccc21,0,0,0,0
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,1,0,0,0
CC[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N([C@@H](CS(=O)(=O)CC)C2CC2)C1=O,0,0,0,0
COc1ccccc1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)c(F)c1,0,0,0,0
Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C(\C#N)C(=O)N(C)C(=O)OC(C)(C)C)C[C@@H]2CCCNC2=O)no1,0,0,1,0
O=C(CCOc1ccccc1)OCC(=O)c1cc2ccccc2o1,1,0,0,0
O=C(/C=C/c1ccc2c(c1)nc(CCc1ccccc1)n2CCc1ccccc1)NO,0,0,0,0
COc1ccc(CCCc2nnc(SCc3nc(=O)c4ccccc4[nH]3)n2C)cc1C,0,0,0,0
CCOC(=O)CSc1nc2sc(C(=O)O)c(C)c2c(=O)[nH]1,0,0,0,0
COC(=O)c1cccc(Oc2nc3c(c(=O)n(C)c(=O)n3C)n2C(C)C)c1,0,0,0,0
CC(C)=CCNc1ncnc2nc[nH]c12,0,0,0,0
COc1ccc2ccc(CC(O)/C=C/[C@H]3CCC(=O)[C@@H]3CCc3ccc(C(=O)O)cc3)cc2c1,0,0,0,0
CCOC(=O)C1(CCCc2ccccc2)CCN(C(=O)CN2CCOC2=O)CC1,1,0,0,0
O=C(c1cnc2ccccc2c1)N1CCC[C@H]1CN1CCCC1,0,0,0,0
COc1ccc2c(c1)C(=O)N(Cc1ccco1)C(=O)/C2=C/Nc1c(C)n(C)n(-c2ccccc2)c1=O,1,0,0,0
Cc1nn(-c2ccc(F)cc2)c(-n2cccc2)c1C(=O)N1CCCCC1C,1,0,0,0
Cc1c(CNC2CCCCCC2)c(C(=O)O)c(C)n1Cc1cccc(Cl)c1,0,0,0,0
O=S(=O)(NC1=NN2C(=NC(c3ccc(Cl)cc3)=CC2c2ccccc2)N1)c1ccccc1,0,0,0,0
COC1CCC2(CC1)Cc1ccc(Sc3ccccc3)cc1C21NC(N)N(C)C1=O,0,0,0,0
CCC1(CC)C(=O)NC(=O)N=C1Nc1cccc(OC)c1,0,0,0,0
Nc1ncc(S(=O)(=O)NCc2ccccc2F)cn1,0,0,0,0
CCOC(=O)Nc1sc2c(c1C(N)=O)CCC(C)C2,0,0,0,0
CSc1nc2c(Nc3ccccc3)ncnc2n1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0,0,0,0
O=c1cc(/C=C/c2cccs2)[nH]c2ccccc12,0,0,0,0
CC(C)NC(=O)CCc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
COC[C@H](C)n1c(-c2cn3c(C)nnc3c(N)n2)nc2cnc(N3CCOCC3)cc21,0,0,0,0
O=C(O)c1ccc2cccc(N3CCN(CCc4ccc(OCCCN5CCCCCC5)cc4)CC3)c2n1,0,0,0,0
CCc1ccc(CNc2ccc(O)cc2)cc1,1,0,0,0
COc1ccc(-n2c(=O)c(CCc3ccccc3)nc3cnc(N(C)C)nc32)cc1,0,0,0,0
C=CCn1c(C)cc(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)c1C,0,1,0,0
Cn1sc(NC(=O)c2ccccc2Cl)nc1=O,0,1,0,0
COC(=O)c1cccc(Nc2nn3c(=O)c4cc5c(cc4nc3s2)OCO5)c1,0,0,0,0
CCN(CC)C(=O)c1cc2c(=O)oc3ccccc3c2s1,0,0,0,0
C[C@@H]1CN([C@H](C)CO)C(=O)Cc2cc(NC(=O)CCC(F)(F)F)ccc2O[C@@H]1CN(C)C(=O)Nc1ccccc1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1cnc(-c2ncc(C(F)(F)F)[nH]2)cn1,0,0,0,0
Cn1ccnc1COc1nn2c(-c3ccccc3)nnc2c2ccccc12,0,0,0,1
CC(C)CC(=O)N1CCN(Cc2ccc(Br)cc2)CC1,0,0,0,0
CCOc1cc(-c2noc(N)c2C(=O)OC)cc(OCC)c1OCC,0,0,0,0
N#CCc1ccc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc1,0,0,0,0
CCCN1C(=O)c2[nH]nc(-c3cc(Cl)c(C)cc3O)c2C1c1ccc(O)c(OC)c1,0,0,0,0
CNC(=O)c1ccc2c(c1)CCO[C@H]2CCN1CCN(c2ccc(C(N)=O)cc2)CC1,0,0,0,0
NC(=O)c1ccc(NCc2ccc(F)c(C(F)(F)F)c2)c2cccnc12,0,0,0,0
Cc1cc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)ccc1F,0,0,0,0
CCCN(CCC)C(=O)C(=O)c1c(-c2ccc([N+](=O)[O-])cc2)n(C)c2ccccc12,0,0,0,0
COc1ccc(C2(C)NC(=O)N(Cc3cc(Cl)cc4c3OCOC4)C2=O)cc1OC,0,0,0,0
Cc1cc(F)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
CN(C)CCCNC(=S)N(Cc1cccs1)Cc1cc2cc3c(cc2[nH]c1=O)OCCO3,0,0,0,0
O=C1C(=O)N(C2CCN(C(=O)c3cccc(Cl)c3)CC2)CCN1Cc1ccc(F)cc1,0,0,0,0
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
CC[C@H](Nc1nc(NCc2cccnc2)c2ncn(CC3CC3)c2n1)[C@@H](C)O,0,0,0,0
C/C(N)=C(/C#N)C(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,0,1,0,1
COC(=O)c1cccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)c1,0,0,0,0
Cc1nc(-c2cc(-c3ccc(Cl)cc3)no2)cs1,0,1,0,0
CN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
Cc1ccccc1-n1c(-c2ccco2)n[nH]c1=S,0,0,0,0
COc1ccc([C@@H]([C@H](O)CN)N(C)c2ccccc2)cc1,0,0,0,0
CCN(CC)c1ccc(NC(=O)c2ccccc2Br)cc1S(=O)(=O)Nc1ccccc1OC,1,0,0,0
CC(=O)N(C)Cc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2,0,0,1,0
COc1ccc(Nc2nc3ccccc3n3c(N)nnc23)cc1,0,1,0,0
CCOC(=O)C1CCCN(C(=O)c2ccc(CNc3c(N4CCC(C)CC4)c(=O)c3=O)cc2)C1,1,0,0,0
COCCNC(=O)c1cccc(OC2CCN(Cc3cccc(C(C)=O)c3)CC2)c1,0,0,0,0
CN1CCc2cc3c(c4c2[C@H]1[C@H](O)c1ccccc1-4)OCO3,0,0,0,0
O=C(c1ccc(Cl)c(F)c1F)N1CCCC1,0,0,0,0
Cn1c(Cc2ccc(C(=N)N)cc2)nc2cc(NS(=O)(=O)c3cccc4ccccc34)ccc21,0,0,0,0
CC=C(C)C(=O)NC(c1ccccc1)C(O)C(=O)OC1CC2(O)C(OC(=O)c3ccccc3)C3C4(OC(C)=O)COC4CC(O)C3(C)C(=O)C(O)C(=C1C)C2(C)C,1,0,0,0
CCCc1nc(N)sc1C(=O)OCC,0,0,0,0
CCOC(=O)CN1C=C(c2ccc3ccccc3n2)C(C[N+](=O)[O-])c2ccccc21,1,0,0,0
COc1ccc(Cl)cc1C=C1C(=O)ON=C1C,0,0,0,0
Cc1cc(=O)oc2c(CN3CCN(C)CC3)c(O)c(Cl)cc12,1,0,0,0
COC(=O)c1c(NC(=O)C(=O)NCCCN2CCOCC2)sc2c1CC(C)(C)OC2,1,0,0,0
Cc1ccc(C(=O)Nc2ncccc2S(=O)(=O)c2ccccc2)cc1,0,1,0,0
O=C(Nc1cnccc1Cl)N1C[C@@H]2CN(Cc3cccc(Oc4ccc(Cl)cc4)c3)C[C@@H]21,0,0,1,0
O=C(c1csc2ccccc12)N(CCc1ccc(Cl)cc1)C1CCC2(CCCO2)CC1,0,0,0,0
Cn1c(=O)[nH]c(=O)c2c1nc1n2CCN1Cc1ccccc1,0,0,0,0
O=C(C1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1)N1CCCC1,1,0,0,0
CC(=O)C1=C(C)NC(=O)NC1c1cc(Br)ccc1OCC#N,0,0,0,0
O=[N+]([O-])c1cnc(Nc2ccc(Cl)cn2)c([N+](=O)[O-])c1,1,0,0,0
COc1ccccc1CCCNC(=O)C1CCC(=O)N(CCc2cccc(F)c2)C1,1,0,0,0
O=S1(=O)NC(=Nc2ccccc2)Sc2ccc(F)cc21,0,0,0,0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccncc3)cc21,0,0,0,0
CC(C)(C)[Si](C)(C)Oc1ccc2oc(=S)ccc2c1,0,0,0,0
COc1ccc(OC(F)(F)F)cc1CN1CCC(=O)C(C(c2ccccc2)c2ccccc2)C1,0,0,0,0
CNC(=O)c1cc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1C,0,0,0,0
CN(C)C(=O)CN1CCC(c2ccc(Nc3nc4c(-c5ccc[nH]c5=O)cccn4n3)cc2)CC1,0,0,0,0
COc1cccc(N2CC(=O)N(c3cccc(OC)c3)CC2=O)c1,0,0,0,0
O=C1NCCCC1C(=O)Nc1cccc(C(F)(F)F)c1,0,0,0,0
c1ccc(C(NCCNC(c2ccccc2)c2ccccc2)c2ccccc2)cc1,0,0,0,0
CCOC(=O)c1cc(=O)n2nc(-c3ccc(C)cc3)nc2s1,0,1,0,0
NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,0,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(Cc3ccccc3Cl)CCc3ccccc32)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)n2oc(=O)c(-c3ccc(F)cc3)c2-c2ccncc2)cc1,0,0,0,0
C=CCn1c(C)cc(-c2csc(NC(=O)C3=COCCO3)n2)c1C,0,1,0,0
Cc1cc(C(F)(F)F)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
Nc1cc(Oc2cc(C(F)(F)F)ccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CCOC4)cc3)C2)cc1,0,0,0,0
CCOC(=O)CSc1nc(C(C)(C)C)nc2ccccc12,1,0,0,0
CCC(=NN1CCCCC1)C1C(=O)NC(=O)NC1=O,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4cccc(Cl)c4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
Nc1ncc(-c2cnn(C3CCC(O)CC3)c2)c2c(CF)c(-c3cccc4nnsc34)oc12,0,0,0,0
O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1,0,0,0,0
CC(=O)Nc1cccc(COc2ccc3c(C)c(C)c(=O)oc3c2)c1,0,0,0,0
O=S(=O)(c1cc(F)cc(F)c1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
CCOC(=O)CCN(c1ccccc1)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C,1,0,0,0
Cc1ccccc1OCCn1cnc2cc([N+](=O)[O-])ccc2c1=O,0,0,0,0
Cn1ccnc1SCc1cc(=O)oc2cc(O)ccc12,0,0,0,0
CCN(CC)c1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)ccc2Cl)cc1,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccccc3)cc2)nn1,1,0,0,0
Cc1ccc(-c2nc3ccccc3n3nnnc23)cc1,1,0,0,0
CCN1CCN(C2=C(Cl)C(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1,0,0,0,0
CC(=O)c1ccc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)s1,0,0,0,0
CCn1c(SCC(=O)O)nc2sc3c(c2c1=O)CCC3,0,0,0,1
O=C1Nc2ccc(F)cc2/C1=C\c1ccc(-c2cccc(C(=O)NCCN3CCCC3)c2)o1,0,0,0,0
CCCC(NC(=O)[C@@H]1Cc2ccc3cc2CN1C(=O)[C@H](C1CCCCC1)NC(=O)CCCCCCO3)C(=O)C(=O)NCC(=O)N[C@H](C(=O)N(C)C)c1ccccc1,0,0,1,0
Cc1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Cc1cccc(-n2nc(C)c3cnc(N[C@@H](C)c4ccccc4)cc32)c1,0,0,0,0
Cc1ccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2)c(C)c1,0,0,0,0
Cc1cc(N2CC3CCN(C(=O)c4ccc(F)cc4-n4nccn4)CC32)nc(C(F)(F)F)n1,0,0,0,0
O=C1CN=C(n2cnc(C3CC3)c2)C=C2c3cccc(-c4cccnc4F)c3CCN12,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cc(CC)on2)C1,1,0,0,0
O=C(N/N=C/c1ccsc1)c1ccc2ccccc2n1,0,1,0,0
C[C@H](CN1CCN(c2cc(F)c(F)cc2F)CC1)N1C(=O)CC2(CCCC2)CC1=O,0,0,0,1
N#Cc1ccc(C(F)(F)F)nc1O[C@H](CCN)c1ccno1,0,0,0,0
O=C1C2C3C=CC(C3)C2C(=O)N1c1cccc2cccnc12,0,0,0,0
Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3cccs3)nc2c1,1,1,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC1=O,0,0,0,0
COc1cc2nncc(-c3cnc(N4CCC(O)(c5cccnc5)CC4)c(C)c3)c2cc1OC,0,0,0,0
O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc2ccccc2n1,1,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C#N)c4)cn3)[C@H]12,0,0,0,0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(/C=C/C(=O)O)ccc3OCC(F)(F)F)cc21,0,0,0,0
COc1cccc(Nc2nc(N3CCOCC3)nc3c2cnn3C)c1,0,0,0,0
CCCOc1ccc(S(=O)(=O)N2CCN(CP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1,0,0,0,0
CC(C)(C)[C@H](NC(=O)n1c(=O)n(CCN2CCOCC2)c2ccccc21)C(N)=O,0,0,0,0
Cc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0,0,0
O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1cnccn1,1,0,0,0
O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCN(c2ccc(F)cc2)CC1,0,1,0,0
N#CCCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c21,0,0,0,0
O=C1CC(c2ccc(Cl)cc2)c2cc3c(cc2N1)OCCO3,0,0,0,0
CCCC(=O)Nc1[nH]nc2ncc(-c3cccc(F)c3F)cc12,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCC(=O)OC(C)(C)C)cc3)oc2c1,0,0,0,0
COc1cccc(C2(O)CCN(C(c3ccccc3)c3ccccc3)CC2)c1,0,0,0,0
CC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CCCNc2ccc3c(c2)C(=O)CCO3)CC1,0,0,0,0
Cc1nc(P(=O)(c2ccccc2)c2ccccc2)c(N2CCOCC2)o1,0,0,0,0
CC(C)c1nc(SCC(=O)Nc2ccc(N3CCOCC3)cc2)c2ccccc2n1,1,0,0,0
O=C(O)CCc1ccc(O)c(CN(CCN(CC(=O)O)Cc2cc(CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)ccc2O)CC(=O)O)c1,0,0,0,0
Cc1cc(F)ccc1COc1ccc(S(=O)(=O)N2CC(=O)N[C@@H](C)[C@@H]2C(=O)NO)cc1,0,0,0,0
COc1ccc(CN2C(=O)C(C)=C(C)C2OC)cc1,0,0,0,0
O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(N3CCNCC3)cc21,0,0,0,0
O=C(CNC(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1,1,0,0,0
OCC(O)CSc1ncnc2nc[nH]c12,0,0,0,0
CC(C)C(CC(=O)NC1CCNCC1C(=O)NC(CC(=O)NC(CCC(=O)O)CC(=O)O)Cc1ccccc1)NC(=O)CC(CO)NC(=O)C1CNCCC1N,1,0,0,0
CS(=O)(=O)NC(=O)c1ccc(-c2ccc(CCNC[C@H](O)c3cnccc3N)cc2)cc1OC1CCCCC1,0,0,0,0
CCCN1CCN(CC2=C(C(=O)OCC)C(c3ccc(OC(C)C)cc3)NC(=O)N2)CC1,0,0,0,0
O=C1C=C(c2c(-c3cc4ccccc4s3)n(CCCNC3=NCCN3)c3ccccc23)C(=O)N1,0,0,0,1
O=C(Nc1ccc2ccccc2n1)c1ccccc1,0,1,0,0
O=C1NC(=O)C(c2ccc(-c3cnc(N4CCOCC4)c4nc(/C=C/c5ccc6ccccc6n5)cn34)cc2)O1,0,0,0,0
CC(NNC(=O)c1ccncc1)=c1cc2c(oc1=O)=CC(=O)C=C2,0,0,0,0
CN1CCN(c2nc(NCCCCc3ccccc3)nc(NCCc3ccc(O)cc3)n2)CC1,0,0,0,0
COCCOc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1,0,0,0,0
Cc1cc(CC(OC(=O)N2CCC(N3CCc4ccccc4NC3=O)CC2)c2cc(C(=O)N(C)C)cc(Cl)n2)cc2cn[nH]c12,0,0,0,0
COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12,1,0,0,0
CCOC(=O)Cc1nn(CCc2ccccn2)c(=O)c2ccccc12,0,0,0,0
CN1CCN(C(=O)c2cnn3c2NC(c2ccccc2)CC3C(F)(F)F)CC1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N[C@@H]1CCC[C@@H](CCN(C)C)C1,0,0,0,0
Cc1cc(NC(=O)NC(=O)c2cccc(OC(F)(F)C(F)F)c2)[nH]n1,1,0,0,0
CC(C)n1cc(-c2cnc(Nc3cccc(Cn4nc(-c5cnn(C)c5)ccc4=O)c3)nc2)cn1,0,0,0,0
CCC(C)N(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CCS(=O)(=O)C1,1,1,0,0
Oc1ccc([C@H]2Sc3cc(O)ccc3O[C@H]2c2ccc(OCCN3CC4CC4C3)cc2)cc1,0,0,0,0
CCC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C,0,1,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2)CC1,0,0,0,0
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OC(C)CCNS(C)(=O)=O)c12,0,0,0,0
Cc1cnn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCOCC4)cc3[nH]2)c1,0,0,0,0
COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1,1,0,0,0
Cc1ccc(C(=O)OCc2cc(=O)n3nc(-c4cccs4)sc3n2)cc1,0,0,0,0
CC(=O)N1CCc2c(c(Nc3cccc(C)c3)nn2CC2CC2)C1,0,0,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3O[C@@H](C)COC)[nH]c(=O)c2nn1C,0,0,0,0
CCOC(=O)c1ccc(-n2c(C)nc3ccccc3c2=O)cc1,0,0,0,0
O=c1c(-c2ccc3c(c2)OCCO3)coc2c(CN3CCOCC3)c(O)ccc12,0,0,0,0
CC(CC(=O)O)(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1cccnc1,0,0,0,0
CCNC(=O)c1ccc(-n2cnc3c(NCCC(F)(F)F)cc(Oc4cccc(F)c4O)cc32)cc1C,0,0,0,0
CN1CC(C)(COc2ccc(C(=N)N)cc2)Oc2cc(N(CC(=O)O)Cc3cc(F)cc(F)c3)ccc21,0,0,0,0
CN(C)CCOc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
COC(CNC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)OC,0,0,0,0
N#CC1C(N)=NC(=S)C(C(N)=O)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
CCc1c(C)[nH]c(N2CCN(c3ccccc3F)CC2)nc1=O,0,0,0,0
CC(=O)Nc1ccc2c(c1)Cc1ccc(Cl)cc1-2,0,0,0,0
NC(=O)c1nn(-c2ccccn2)c2c1CCc1cnc(NC3CCCC3)nc1-2,0,0,0,0
CCC(=O)OC[C@@]1(C)[C@@H]2C[C@H](OC(C)=O)[C@@]3(C)Oc4cc(-c5cccnc5)oc(=O)c4[C@H](O)[C@@H]3[C@@]2(C)CC[C@@H]1OC(C)=O,0,0,0,0
Cn1cc(-c2cc(S(N)(=O)=O)cnc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O,0,0,0,0
CCOc1ccc(CNCCSc2nnnn2C)cc1OC,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(I)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
CCOC(=O)c1sc2ncn(N=CN(C)C)c(=O)c2c1C,0,0,0,0
CCCC[C@H](c1ccc(C(=O)NCCC(=O)O)cc1)N1C(=O)C(c2ccc(-c3cc(Cl)cc(Cl)c3)cc2)=NC1(C)C,0,0,0,0
NCc1ccccc1C1(O)CCN(C(c2ccccc2)c2ccccc2Br)CC1,0,0,0,0
Cc1ccc(CN2C(=O)c3ccccc3NC2c2ccccn2)cc1,0,0,0,0
CSc1ccc(-c2nc(CN3CCCCC3c3cccnc3)c(C)o2)cc1,1,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)/N=C2\C=C(SCC(=O)O)C(=O)c3ccccc32)cc1,0,0,1,0
O=C1NN=C(c2ccc3nc(-c4ccccc4)oc3c2)C2CC12,0,0,0,0
O=C1CN(C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2N1,0,0,0,0
CC1C(c2ccccc2)=C(c2ccc(S(C)(=O)=O)cc2)ON1C,0,0,0,0
Cc1ccc(CN(C[C@H](O)CN2CN(c3ccc(F)cc3)C3(CCN(CC4CCCCCCC4)CC3)C2=O)C(=O)[C@H](N)C(C)C)cc1,0,0,0,0
NC(=O)[C@@H]1CCCCNC(=O)c2ccccc2C(=O)N2CCC[C@H]2C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1,0,0,0,0
Cc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(F)cc3)C2=O)s1,0,0,0,0
CN(C)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
COC(=O)CC=CC(C)C(C=NOCCC1C=CC(OC(C)=O)C(COC(C)=O)O1)NS(=O)(=O)c1ccc(C)cc1,1,0,0,0
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc(-n2cccn2)cc1,0,0,0,0
COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](C=O)CC(C)C)cc1,0,0,1,0
O=C(NO)c1ccc(-c2ccc(CNCCc3cccc4occc34)cn2)s1,0,0,0,0
Fc1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1,0,0,0,0
COc1ccc2nc(C)c3c(C)nc(C)n3c2n1,0,0,0,0
Cc1ccc(-c2ccc(OCC(CN3C(=O)N(C)C(C)(C)C3=O)N(O)C=O)cc2)cc1,0,0,0,0
O=C1OCc2c1cc1cc(OCc3ccc4ccccc4n3)ccc1c2-c1ccccc1,0,0,0,0
Cc1cccc2[nH]c(CN(C)Cc3nc(CC4CC4)no3)nc12,0,0,0,0
NS(=O)(=O)OC[C@@H]1C[C@@H](Oc2cc(NC3CCCC3)ncn2)C[C@@H]1O,0,0,0,0
O=S(=O)(/N=C(/c1ccc(F)cc1)N1CCCCC1)c1ccc(Cl)cc1,0,0,0,0
Cc1ccc(C(=O)Oc2ccc(C(=S)N3CCOCC3)cc2)cc1,0,0,0,0
C=CC(=O)NCCCC[C@H](NS(=O)(=O)CC)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3F)C2)nc(OC)c1F,0,0,0,0
CC(C)C(Sc1nc(N)nc2nc[nH]c12)C(=O)O,0,0,0,0
CCN(CC)c1ccc(/C=N/N2CCOCC2)cc1,0,1,0,0
COc1ccc([N+](=O)[O-])cc1-c1nc2ccccc2nc1-c1ccccc1,0,0,0,0
Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1cccc(F)c1,0,0,1,0
COCCNc1nc(CSc2ccccc2)nc2sc(C)c(C)c12,0,0,0,0
NC(=S)N/N=C/c1ccc(-c2ccc3ccccc3c2)o1,0,0,1,0
Fc1cc(Br)cc(C2=NCCCC2)c1,0,0,0,0
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
CCCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
Cc1cncn1CCCn1c(=O)[nH]c2ccccc2c1=O,0,0,0,0
CCOC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O,0,0,0,0
O=C(c1cn2ccccc2n1)N1CCCC(Nc2ccc(F)c(F)c2)C1,0,0,0,0
CC[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
Clc1ccc2c(c1)N(CCCN1CCCC13CCCCC3)c1ccccc1S2,0,0,0,0
NC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0,0,0
CS(=O)(=O)c1cncc(C(CC(=O)O)n2ccc3cc(OCCc4ccc5c(n4)NCCC5)ccc32)c1,0,0,0,0
N#Cc1ccc(-c2cc(OCC3CCNCC3)cnc2-c2ccc(OC(F)(F)F)cc2)cc1,0,0,0,0
Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1,0,0,0,0
CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCOCC3)ccn12,0,0,0,0
Cc1nnc(SC(=O)c2cc3ccccc3o2)s1,0,0,1,0
O=C(O)Cc1ccc(Nc2nc(-c3cc4ccccc4s3)nc3c2S(=O)(=O)CCC3)cc1F,0,0,0,0
CSc1nccc(-c2ccc3nc(NC(C)=O)sc3c2)n1,0,0,0,0
O=C(O)CCCN1C(=O)C(=CC(Cl)=Cc2ccccc2)SC1=S,0,0,0,0
N#Cc1ccc(COC[C@H]2O[C@@H](n3c(NCc4ccc(Cl)c(Cl)c4)nc4c(N)ncnc43)[C@@H](O)[C@@H]2O)cc1,0,0,0,0
CC1Sc2ccc(S(=O)(=O)NCc3ccccc3)cc2NC1=O,0,0,0,0
Cn1c(O)c(C2=NC(=S)NC2=O)c2cc(Br)ccc21,0,0,0,0
O=C1NC(=O)c2c1c1c3ccccc3[nH]c1c1[nH]c3ncccc3c21,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(F)(F)F)c12,0,0,0,0
COc1ccccc1-n1c(-c2ccco2)n[nH]c1=S,0,0,0,0
Nc1nc(-c2ccc(P(=O)(O)O)o2)c(C(=O)OCc2ccccc2)o1,0,0,0,0
CC(=Nc1ccc(C)c(C)c1)C1=C(O)CCC1=O,0,0,0,0
CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(F)c3)c2=O)cc1,0,0,0,0
CCC(CC)Sc1nc2cc(N3CCN(CCO)C(C)C3)c(Cl)cc2[nH]1,0,0,0,0
Cc1nc(-c2cn3c(n2)-c2ccc(OC4(CN5CCN(C)CC5)CC4)cc2OCC3)n(C(C)C)n1,0,0,0,0
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(N2CCc3ccccc32)c2cc[nH]c2n1,0,0,0,0
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1C(O)c1ccc(F)cc1,0,0,0,0
CCCCC(CC)CNc1cc(-c2ccc3ncsc3c2)nc(C)n1,0,0,0,0
Clc1ccc(CSc2ccc(-c3cccnc3)nn2)cc1,0,0,0,0
CS(=O)(=O)c1cccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)c1,0,0,0,0
CCc1ccnc(C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)O)c1,0,0,0,0
Cc1ccc2nc3c(c(N)c2c1)CCN3c1ccccc1.O=C(O)C(=O)O,0,1,0,0
CCN(C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C1CCS(=O)(=O)C1,1,0,0,0
O=C(OCCCCN1C(=O)c2ccccc2C1=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,0,0,0,0
Cc1ccccc1CN1c2ccccc2S(=O)(=O)c2ccccc21,0,0,0,0
COc1ccc(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)cc1OC,0,0,0,0
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
N#Cc1cc(S(=O)(=O)c2ccc(Cl)cc2)cc2c3c(oc12)CCNC3,0,0,0,0
COCC(=O)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
Cc1oc2c(CN3CCOCC3)c(O)ccc2c(=O)c1-c1ccc(Br)cc1,0,0,0,0
O=C(O)c1cc(Br)cc2c(=O)c(O)c(-c3cccc(OCc4ccc5ccccc5n4)c3)oc12,0,0,0,0
Cc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCOCC4)c3)CC2)c1,1,0,0,0
COc1ccc2c(c1)cc(C(=O)c1ccc(/C=C/C(=O)NO)cc1)n2S(=O)(=O)c1ccccc1,0,0,0,1
COc1ccc(C)cc1NCc1cccc(OC)c1OC,0,0,0,0
CCc1ccc(NS(=O)(=O)c2cccc3nonc23)cc1,1,0,0,0
COc1ccc(CC(C)=NNC(=S)Nc2ccccc2F)cc1,0,0,0,0
COc1cc(OC)cc(-c2n[nH]c([C@@]3(Cc4ccccc4)OC(=O)N([C@H](C)c4ccccc4)C3=O)n2)c1,0,0,0,0
CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCCN)[C@H]2C(=O)O)CC1)C(C)C,0,0,0,0
COc1ccc(CCN=C(N)NS(=O)(=O)c2cc(F)ccc2OC)cc1,0,0,0,0
NC(=O)c1ccc(NCc2cccc(Cl)c2)c2cccnc12,0,0,0,0
COc1ccc(NC(=O)C2CCCNC2=O)cc1,0,0,0,0
CCN[C@@H](C)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2cnn3-c2ccccc2C#N)C1=O,0,0,0,0
Oc1ccc(Cl)cc1Nc1nc2ccccc2n2cnnc12,0,0,0,0
Cc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21,1,0,0,0
Cc1nc2c(=O)n(-c3cccc(C(F)(F)F)c3)nc(C)c2s1,0,0,0,0
CCNC(=O)Nc1ccc(-c2nc(N3C4CCC3COC4)c3cnn(C4CCN(C(=O)OC)CC4)c3n2)cc1,0,0,0,0
CCc1cc2c(cc1N1CCN(C(=O)CN(C)C)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
O=c1[nH]cnc2c(C[C@@H]3N[C@H](CO)[C@H](O)C3O)c[nH]c12,0,0,0,0
CCCCCOc1ccccc1CN1C(=O)C(=O)c2cc(C)ccc21,0,0,0,0
CCOC(=O)C1(Cc2ccccc2C)CCCN(C(=O)c2sccc2C)C1,1,0,0,0
CC1CCN(Cc2c(C#N)c3ccccc3n2C)CC1,0,0,0,0
COc1ccc(-c2cc(=O)oc3cc(OC(C)C(=O)Nc4ccc(CN5CCOCC5)cc4)ccc23)cc1,1,0,0,0
CC(NS(=O)(=O)C(F)(F)F)C1CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1,0,0,0,0
Cc1[nH]c(=S)n(CC2CCCO2)c1C,0,0,0,0
COc1ccc(/C=N/NC(N)=S)cc1OC(=O)c1cccc2ccccc12,1,1,0,0
Cc1nc(C)c(-c2cc3nc(N4CCCC4)cc(NCC(C)(C)O)n3n2)nc1CC(C)C,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(Cl)cc4)cn3CCN3CCCC3)CC2)c1C1CCC1,0,0,0,0
COc1cccc(CC2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)c1,0,0,0,0
CCCc1c(O)[nH]c(SCc2ccccc2)nc1=O,0,0,0,0
Cc1nc(C)c(-c2csc(Nc3cccnc3)n2)s1,0,1,0,0
CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N1CC[C@H](c2ccccc2)[C@H]1C(=O)N[C@H]1CC(=O)OC1O)C(C)C)C(C)C,0,0,0,0
Cc1cccc(N2C(=O)NC(=O)/C(=C\c3cnc(-c4ccccc4)nc3)C2=O)c1,0,0,0,0
COc1cc(CNC(C)(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
COc1cc(O)c(C(CCN2CCCC2)c2ccc3c(c2)OCO3)c(OC)c1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1,1,0,0,0
COC(=O)C1(c2ccccc2)CCN(C(=O)OC2C3CC4CC(C3)CC2C4)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1,1,0,0,0
OCC[C@H]1C[C@H](O)[C@@H](O)[C@]2(CCc3ccccc3O2)O1,0,0,0,0
Cc1cs/c(=N\N=C\c2ccccc2)n1Cc1ccco1,0,1,0,0
Nc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(OC(F)(F)F)cc3)cs2)cc1,0,0,0,0
CSc1ccc(-c2cccc(-n3cc(C(=O)NC(C)C)c(=O)c4cccnc43)c2)cc1,0,0,0,0
O[C@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@@H]5CCC[C@H]5O)c4n3)nc2)C1,0,0,0,0
CCCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,0,0,0,0
Cc1cccc(C(c2ccccc2)N2CCC(O)(c3ccccc3)CC2)c1,0,0,0,0
O=[N+]([O-])c1ccc(C=NNC(=S)Nc2ccc(F)cc2)cc1,0,0,0,0
CCCN(Cc1ccccc1)Cc1c(C)nc2n(-c3c(C)cc(C)cc3Cl)c3ncccc3n12,0,0,0,0
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(OC)nn3)cc2)cc1,1,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCC(=O)O)ncc23)ccn1,0,0,0,0
CCCCOc1ccc(C(=O)Nn2c(-c3cccs3)nc3ccccc3c2=O)cc1,1,0,0,0
CC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
CN(C)C(=O)CCC(=O)N1CCCC(C(=O)c2ccc3c4c(cccc24)CC3)C1,1,0,0,0
COc1cc(CNc2ncc(-c3ccc(Br)cc3)n2C)cc(OC)c1OC,0,0,0,0
COCCNc1snc2cc(-c3ccc(OC)c(OC)c3)cnc12,0,0,0,0
CCc1cccc(Nc2cc(C)nc3nc(C)nn23)c1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCCO)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
CCC(CC)C(=O)Nc1nc(-c2ccccc2)c(C#N)c(-c2ccccc2)n1,0,0,0,0
Cl.Clc1ccccc1C(c1nnnn1Cc1ccco1)N1CCN(Cc2ccco2)CC1,0,0,0,0
CN(C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CCCNC3=O)ncc1C(F)(F)F,0,0,0,0
COc1ccc2nc(N3CCCC(C(=O)NCCCN4CCN(C)CC4)C3)sc2c1,0,1,0,0
CCCc1c(C(=O)OCC)c(C(=O)OCC)c2c(-c3ccc(F)cc3)cc(N3CCOCC3)nn12,0,0,0,0
Cc1c(C)c2ccc(OCc3ccc(Cl)cc3)cc2oc1=O,0,0,0,0
COc1cccc(CC(NC(C)=O)C(=O)NC2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c1,1,0,0,0
Cc1c(C(=O)N2CCN(C(=O)c3ccco3)CC2)sc2nc(-c3ccc(F)cc3)cn12,1,0,0,0
OCc1ccc(C2CCCc3cncn32)cc1,0,0,0,0
COc1ccc(OC)c(C2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)c1,0,0,0,0
COc1ncccc1-c1ccc2nc(Nc3ccn[nH]3)c(-c3nc(C)nc(N)n3)n2c1,0,0,0,0
Cn1cc(C(=O)N/N=C/C(Br)=C/c2ccccc2)ccc1=O,0,1,0,0
COC(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
CC(C)(C)C(=O)Nn1c(=S)[nH]c2ccc(F)cc2c1=O,0,0,0,0
O=S(=O)(c1ccc2nc(SCc3cccc(Cl)c3)[nH]c2c1)N1CCOCC1,0,0,0,0
Cc1c2c(n(-c3ccccc3Cl)c1-c1ccc(Cl)cc1)CCN(N1CCCCC1)C2=O,0,0,0,0
Cc1[nH]nc2c1-c1sc(C)c(C)c1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)OC(C)(C)C,0,0,0,0
CCCCCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3ccc(F)cc3F)CC2)C1,0,0,0,0
O=C(Nc1ccc(O)c2c(=O)cc(-c3ccccc3Cl)oc12)c1cccc(Cl)c1,1,0,0,0
O=C(NN=Cc1ccc([N+](=O)[O-])o1)c1ccc(O)cc1,1,0,0,0
O=C1CCCC/C1=N/Nc1ccc(OCc2ccccc2)cc1,1,0,0,0
O=C(O)Cc1coc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12,0,0,0,0
COc1ccc(CN2CCN(Cc3cccc(OC)c3)C(CCO)C2)cc1,0,0,0,0
CCC1SC(CC)C(=O)N(CC(=O)NCCc2ccccc2)C1=O,1,0,0,0
C=CC(=O)Nc1ccc2nccc(Oc3ccc(C(=O)Nc4cc(CC)ccn4)cc3)c2c1,0,0,1,0
CC(=O)NN1C(=O)c2ccccc2NC1c1ccoc1,0,0,0,0
Cc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1,0,0,0,0
CC1=NN2C(=N)/C(=C\c3cc(C)n(-c4ccccc4)c3C)C(=O)N=C2S1,0,1,0,0
COc1ccc2cc(-c3cncc4ccccc34)c(C)cc2c1,0,0,0,0
Cc1noc(C)c1Cn1cc(N2C(=O)N(C)C(C)(C)C2=O)cn1,0,0,0,0
COc1ccc(-c2nn3c(-c4cccc(C)c4)nnc3s2)cc1OC,1,0,0,0
COc1cc(N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)ncn1,0,0,0,0
O=C1N(C2CCCC2)CC2CC(c3cccn3-c3nccs3)N3CCCC123,0,0,0,0
C=CC1(C(C)CCC)C(=O)NC(=O)NC1=O,0,0,0,0
Cc1cccc(N2CCN(C(=O)c3nn(C)c4c3CS(=O)(=O)c3ccccc3-4)CC2C)c1,0,0,0,0
COc1ccc(C(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1Br,0,0,0,0
CCOc1cc(C)cnc1Nc1cccc(C)n1,0,0,0,0
Fc1cccc(CNc2ccc(-c3cc4c(cc3Cl)OC(F)(F)O4)cn2)c1,0,0,0,0
CCNc1nnc(-c2cnc(N3C[C@H](CC)N(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)C[C@H]3C)c(C(F)(F)F)n2)o1,0,0,0,0
CCC(=O)Nc1nc(C)c(C(=O)N2CCCCC2)s1,0,0,0,0
COc1ccccc1N1CCN(CCCCNC(=O)c2cccc3ccnn23)CC1,0,0,0,1
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(=O)N[C@H](C(N)=O)C(C)C,0,0,1,0
CC(C)c1noc(N2CCN(c3ncc(OCc4ccc(S(C)(=O)=O)cc4F)cn3)[C@H](C)C2)n1,0,0,0,0
CCOc1cc(C=C2C(=O)ON=C2C)ccc1OCc1ccccc1,0,0,0,0
Cc1ccc(-c2nnnn2CS(=O)(=O)c2ccccc2)cc1,0,0,0,0
COc1ccc(C(=O)NC(CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]2(C)CO2)c2ccccc2)cc1,0,0,0,1
COc1ccc(CNc2nc3c(-c4ccc(C)cc4)nnn3c3ccccc23)cc1,0,0,0,0
CC1(c2ccccc2)CC(c2ccccc2)=Nc2ccccc2N1,0,0,0,0
CN1CCN(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C2=O)CC1,1,0,0,0
CC(c1ccccc1)N1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O,0,0,0,0
Cc1ccsc1-c1nc(CN2CCN(C)C(=O)C2C)c(C)o1,0,0,0,0
CCCCOCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2C)C1=O,1,0,0,0
CCOC(=O)C1C(=O)C(C(=O)OCC)C(c2cccnc2)NC1c1cccnc1,0,0,0,0
CN1CCN(CCn2nc(Nc3c(Cl)cccc3Cl)c3cnc(Nc4ccccc4)nc32)CC1,0,0,0,0
CCSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(=O)(O)C(Cl)P(=O)(O)OP(O)(=S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SCC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1,0,0,0,0
COc1cc2c(cc1OC)C1CCC3=C(C(C)OC3=O)N1CC2,0,0,0,0
CC(=O)c1ccc(N2C(=O)C3C(CCC(N)=O)NC4(C(=O)Nc5c4ccc(Cl)c5C)C3C2=O)cc1,1,0,0,0
O=C(C#CCN1CCOCC1)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1,0,0,1,0
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
COc1cccc2sc(C3C[C@H]4CC[C@@H](C3)N4C[C@H](O)COc3cccc4[nH]ccc34)cc12,0,0,0,0
Fc1ccc2c(NCc3ccccc3)nc(-c3cccnc3)nc2c1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NC2(C(F)(F)F)NC(=O)N(CC(C)C)C2=O)cc1,0,0,0,0
O=C(c1ccc(COc2ccccc2)cc1)c1c[nH]c2ncc(-c3cnn(C4CCNCC4)c3)cc12,0,0,0,0
COc1ccc(-c2nc(CSc3nc(N)nc(N)n3)cs2)cc1OCCF,0,0,0,0
Cc1cc2c(c(Oc3cccc(NS(=O)(=O)c4ccc(Cl)cc4)c3)n1)C(=O)N(C)C2=O,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(C(F)(F)F)c2)CC1,0,0,0,0
O=C(Nc1ccc(-n2ccc(C(F)(F)F)n2)cc1)Nc1cccc(Cl)c1,0,1,0,0
COc1ccc(OC)c(C2=NS(=O)(=O)N(C)C(C(=O)Nc3ccc(C(C)=O)cc3)=C2)c1,1,0,0,0
C=CCSc1nnc2c(n1)OC(c1cccnc1)N(C(C)=O)c1ccccc1-2,0,0,0,0
CCCOc1ccc(CN2C(=O)C(=O)c3cccc(C)c32)cc1,0,0,0,0
O=C1N(c2ccc3c(c2)OCO3)C(=O)N1c1ccc2c(c1)OCO2,0,0,0,0
O=C(O)CCC(c1ncc(C(F)(F)F)cc1Cl)S(=O)(=O)c1ccccc1,0,0,0,0
Cc1cccc(NC(=O)CN2CCN(C(=O)COc3cccc(Br)c3)CC2)c1C,1,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)OC(C)C)CC2)c1C,0,0,0,0
CC1CC(OC(=O)c2ccccc2O)CC(C)(C)C1,0,0,0,0
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2ccc(F)cc2)Cc2nc3c(c(=O)[nH]2)COCC3)CC1,0,0,0,0
COC(=O)c1sc2nc(SCc3ccccc3C)n(N)c(=O)c2c1C,1,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)N[C@H](C)C(F)(F)F)c12,0,0,0,0
COc1ccc(CC(C)=NNC(=S)Nc2ccccc2)cc1,0,0,0,0
Cc1c(C)n2c(=O)cc(N3CCOCC3)nc2n1Cc1cccc(Cl)c1Cl,0,0,0,0
Cc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C,1,0,0,0
Cn1cc(-c2c[nH]c3ncnc(N4CCOCC4)c23)nc1C#N,0,0,0,0
O=C1CC[N+](=Cc2ccc(Cl)cc2)[N-]1,0,0,0,0
CCOc1ccc(-n2c(Nc3ccc(OC)cc3)c3[nH]cccc-3c2=O)cc1,0,0,0,0
Cc1nc2sc(C(c3ccco3)N3CCN(c4ccccc4F)CC3)c(O)n2n1,0,0,0,0
CC(C)Oc1ccc(CNC(=S)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1,0,0,0,0
N#Cc1ccc(Cn2cncc2COCc2ccc(C#N)cc2-c2ccc3c(c2)OCO3)cc1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)ccc3Cl)C2)nc(C)c1F,0,0,0,0
COc1cc(Br)c(CNc2cc(C)ccc2C)cc1OC,0,0,0,0
CC(=O)Nc1cccc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
Cc1ccc([C@@H]2C[C@H]2COc2cc(NCc3ccnn3C)c(=O)n(C)n2)nc1,0,0,0,0
COc1cccc(/C=C2\Oc3cc(OCC(=O)N4Cc5ccccc5C[C@H]4C(=O)O)ccc3C2=O)c1,0,1,0,0
COc1ccc(NC(=S)Nc2ccc(OCc3ccccc3)cc2)c(OC)c1,1,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(C(F)(F)F)c3)c(F)c2)CC1,0,0,0,0
S=C(NC12CC3CC(CC(C3)C1)C2)N1CCOCC1,0,0,0,0
COc1cc(C=NN=C2SCC(=O)N2c2ccc(O)cc2)ccc1O,0,0,0,0
COc1ccc(CNS(=O)(=O)c2ccc3c(c2)NC(=O)C(C)S3)cc1,0,0,0,0
O=C1C(=O)N(C2CCN(C(=O)c3ccccc3Cl)CC2)CCN1Cc1ccc(F)cc1,0,0,0,0
Clc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1,0,0,0,0
O=c1cc(Cn2c(CC3CCC3)nc3ccccc32)c2ccc(F)c(F)c2[nH]1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3NS(=O)(=O)C3CC3)cc2F)cn1,0,0,0,0
Nc1nnc(Cc2ccccc2F)s1,0,0,0,0
CS(=O)(=O)Nc1cc(C[C@H](O)CN[C@H](Cc2ccccc2)c2ccc(OC(F)F)c(OC(F)F)c2)ccc1O,0,0,0,0
CC(C)CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(N)CC1,0,0,0,0
CN1CCN(C(=O)C(C#N)=Cc2ccc(-c3nc4cnc5[nH]ccc5c4n3C3CCCCC3)o2)CC1,0,0,1,0
O=S(=O)(c1ccccc1)c1nc(Nc2ccccc2N2CCOCC2)sc1Cl,0,0,0,0
CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(-c2cc(Cl)cc(Cl)c2OCC(F)F)cc1F,0,0,0,0
O=C(Cn1nc(Cc2cccnc2)c2ccccc2c1=O)Nc1ccc2c(c1)OCO2,1,0,0,0
C[C@@H](O)[C@H](NC(=O)[C@@H]1CSC[C@@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(N)=O,0,0,0,0
NC(=O)C1CCN(CCC(=O)Nc2ccc(Br)cc2)CC1,1,0,0,0
FC(F)(F)c1cc(COC2CCC3CCC2(c2ccccc2)N3)cc(C(F)(F)F)c1,0,0,0,0
Cc1ccc(C(=O)Nc2nccs2)cc1,0,1,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)F)CC3)c(Cl)c2)c1C#Cc1ccc(NC)nc1,0,0,0,0
CCn1nnc(-c2ccccc2NC(=O)c2cc(OC)cc(OC)c2)n1,1,0,0,0
Cn1cc(S(=O)(=O)c2cc(C#N)c3oc4c(c3c2)CNCC4)c2ccccc21,0,0,0,0
COc1cccc2c1S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn(-c3ccccc3)c1-2,0,0,0,1
COc1cccc(OC)c1[C@@H]1C[C@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COCc1nnc(NC(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)o1,1,0,0,0
O=C(CNS(=O)(=O)c1ccc(OCc2cccc3cccnc23)cc1)NO,0,0,0,0
NC(=O)N1CCCc2cc(-c3cncc(OCC4COCCO4)c3)cnc21,0,0,0,0
CCCC(=O)Nc1ccc(C(=O)Nc2nc(CC(=O)OCC)cs2)cc1,0,1,0,0
COc1ccc2c(Cn3cc(CSC(=S)N4CCN(C(=O)OC(C)(C)C)CC4)nn3)cc(=O)oc2c1,0,0,0,0
O=C(CSCc1ccccc1)N1CCc2ccccc21,0,1,0,0
C[C@@H]1CN(CC(F)F)CCN1c1cc2nc(SC(C)(C)C)[nH]c2cc1Cl,0,0,0,0
CC1=C(C(=O)OCC2CCCCC2)C(c2cccc(F)c2F)CC(=O)N1,0,0,0,0
Cc1cc(-c2nnc(-c3ccc4c(c3)CC(CO)(NCc3ccccc3)CC4)o2)ccc1OC(C)C,0,0,0,0
Cc1cc(C)c(Nc2nn3c(=O)c4cc5c(cc4nc3s2)OCO5)c(C)c1,0,0,0,0
Cc1cc(C)n(CCCCCC2(C)COC(c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)OC2)n1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(OC(F)(F)F)cc3Cl)cccc2c1,0,0,0,0
Cc1nc2c(Br)c(C)nn2c2c1CCC2,1,0,0,0
COc1cc(N2CCN(C3CCOCC3)CC2)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2,0,0,0,0
CC12CCC=CC1C(c1ccc(C(F)(F)F)cc1)N(Cc1ccccc1)C2=O,1,0,0,0
COCC1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1,1,1,0,0
CCSC(=S)SCC(=O)c1ccc(-c2ccc(N)cn2)s1,0,0,0,1
CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c1,1,0,0,0
N#Cc1c(NC(=O)CSCC(=O)O)sc2c1CCCC2,0,0,0,0
S=c1[nH]ccn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl,0,0,0,0
COc1ccc2c(n1)C1(CO2)C(=O)N(Cc2ccc3c(c2)OCCO3)c2ccccc21,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2cccc(CC(C)C)c2)c1C,0,0,0,0
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(CO)c1,0,0,0,0
Cc1cccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)c1C,0,0,0,0
O=c1cc(O)c2c(=O)[nH]c(=O)n(-c3ccccc3)c2[nH]1,0,0,0,0
COc1cc(C#CC2CC2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
CC1CCN(C(=O)COC(=O)c2n[nH]c(=O)c3ccccc23)CC1,0,0,0,0
C[N+]1(CCC(O)(c2ccccc2)C2CCCCC2)CCCC1,0,0,0,0
CCN(CC)c1nc2ccccc2nc1C(=O)Nc1cc(OC)c(OC)c(OC)c1,1,0,0,0
CNC(=O)c1ccc(Cc2c3c(n(CC(=O)O)c2C)CCNC3=O)c(S(=O)(=O)c2ccccc2)c1,0,0,0,0
O=C(Nc1cccn2c(C(F)(F)F)nnc12)C1CC1,0,0,0,1
Cn1c(=O)n(Cc2cccc(C(=O)O)c2)c(=O)c2c1nc(N1CCC[C@@H](N)C1)n2Cc1ccccc1Cl,0,0,0,0
COc1ccc(CNc2ccccc2SC)cc1OC,0,0,0,0
O=C1C[C@H](NC(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]3CC=CC[C@H](NC(=O)c4nccc5ccccc45)C(=O)N32)C(O)O1,0,0,0,0
O=C1NC(=O)c2ccc(NC(=O)c3ccccc3)cc2C1=O,0,0,0,0
COc1ccc(Nc2cc(Nc3ccc(OC)cc3)ncn2)cc1,0,0,0,0
CC1CN(c2ccccc2)CCN1Cc1nc(Cc2ccccc2)no1,0,0,0,0
COc1ccc2nc3c(c(NCCNC4=CC(=O)c5ccccc5C4=O)c2c1)CCCC3,0,0,0,0
COc1cc2c3c(c1O)C(=O)c1ccccc1C3=NCC2,0,0,0,0
COC(=O)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,0,0,0,0
c1cc(OC2CC3CCC(C2)N3)c2nc(-c3nnc4ccccn34)ccc2c1,0,0,0,0
CCOC(=O)CCCSc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0,0,0
CCOC(=O)c1nn(-c2ccc(OC)cc2)c2c(=O)n(-c3ccc(-c4ccccc4CN4CCCC4)cc3)cnc12,0,0,0,0
O=C(CCc1nc2ccccc2s1)c1ccccc1,0,1,0,0
COc1cc(C(=S)N2CCCC2)cc(OC)c1O,0,0,0,0
Cc1cccc(N2C(=O)c3cccnc3C2=O)c1,0,0,0,0
COc1cc2c(c(OC)c1)CN1CCc3cc(OC)c(OC)cc3[C@@H]1C2,0,0,0,0
CC(C)Oc1ccc(CNS(=O)(=O)c2cnc(N)nc2)cc1,0,0,0,0
CSc1nnc(Cc2ccc3c(c2)OCO3)o1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(O)cc2)C1c1ccc(Cl)cc1,0,0,0,0
Cc1cccc2c1c(Cn1c(=O)n(CC(=O)O)c(=O)c3ccncc31)cn2C,0,0,0,0
Cc1cc(C(=O)N2C[C@H](c3ccc(Cl)cc3)[C@@](C)(COc3ccc(Cl)cn3)C2)cnn1,0,0,0,0
COC(C)(C)CCn1nc(Nc2c(C)cccc2C)c2cnc(Nc3ccc(OCCCN4CCCCC4)c(F)c3)nc21,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)s1,0,0,0,0
COc1ccccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(C(C)C)cc1,0,0,0,0
CCOc1ccc(C(C(=O)Nc2ccc(F)cc2)N(C(=O)Cn2nnc3ccccc32)C2CC2)cc1,1,0,0,0
CC(Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1)C(=O)O,0,0,0,0
Br.Brc1ccc(C2=Nn3c(nnc3-c3cccnc3)SC2)s1,0,0,0,0
COc1cccc(S(=O)(=O)c2ccccc2Cc2c(-c3ccccc3)nn(CC(=O)O)c2C)c1,0,0,0,0
CNC(=O)C1(CC(C)C)C=CCN1C(=O)c1ccccc1,0,0,0,0
Cc1ccc(Sc2nc3ccc(C)cn3c(=O)c2C=NO)cc1,0,0,0,0
COC(=O)Nc1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,0,0,0,0
COc1cc2[nH]c(=O)n(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)c(=O)c2cc1OC,1,0,0,0
COCc1c(-c2cc3cccc(OC)c3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1,0,0,0,0
CNC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)c1,1,0,0,0
O=C1CCCN1CCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCOCC2)c1,0,0,0,0
COc1ccc(CCNc2nccn(-c3ccc(C)c(C)c3)c2=O)cc1OC,0,0,0,0
COc1ccc(Cn2c(C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1,0,0,0,0
CCCN(c1ccccc1F)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC,0,0,0,0
Cc1ccc(CCNCc2ccc(-c3ccc(C(=O)NO)s3)nc2)cc1,0,0,0,0
Cl.OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12,0,1,0,0
CC(c1ccc2c(c1)CCO2)N(C)Cc1ccc(OCCN2C(=O)CCC2=O)c(Cl)c1,0,0,0,0
CCOc1cc(C)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
Clc1ccc([C@H](Cn2ccnc2)OCc2c(Cl)cccc2Cl)c(Cl)c1,0,0,0,0
CCCCSc1nc(O)c(C2OC(=O)c3c2ccc(OC)c3OC)c(=O)n1C,0,0,0,0
C=CCSc1nnc2c(n1)OC(c1cccnc1)Nc1ccccc1-2,0,0,0,0
C[C@@H]1COCCN1C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nccnc12,0,0,0,0
CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(CCC(C)(C)C)c(CC(C)(C)C(=O)O)n2Cc1ccc(Cl)cc1,0,0,0,0
COc1cc(COCC(O)CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc(OC)c1OC,0,0,0,0
OCCCNc1c2c(nc3cc(-c4ccc(Cl)cc4)nn13)CCC2,0,1,0,0
COCc1c(Br)c(C)nc(OCC(=O)N/N=C/c2cc(C)n(-c3ccc([N+](=O)[O-])cc3)c2C)c1C#N,1,0,0,0
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2ccccc2c1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)COS(=O)(=O)O)C[C@@H]1F,0,0,0,0
NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3cnn(CCN4CCOCC4)c3)cc2s1)S(=O)(=O)Cc1ccc(C(F)(F)F)cc1,0,0,0,0
CCOc1ccc(C2C(=O)N(C3CCCCC3)CC(=O)N2Cc2ccccc2OC)cc1OC,0,0,0,0
CCn1cc(/C=C(\NC(=O)c2ccccc2Cl)C(=O)NCCN2CCOCC2)c2ccccc21,0,1,0,0
O=C1c2ccccc2C(=O)N1CCOc1ccccc1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(NC(=O)[C@H](C)N)CC1,0,0,0,0
Cc1cccc(Oc2ncnc3onc(C)c23)c1C,0,0,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3cc(F)cc(F)c3)CC2)cc1,0,0,1,0
CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3c(cc2OC)CCN3C(=O)CN(C)C)nc2[nH]ccc12,0,0,0,1
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc(C2SC(=O)NC2=O)c1,0,0,0,0
Cc1cccn2c3c(c(=O)nc12)C(c1cccc(F)c1)CC(=O)N3,0,0,0,0
C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)CN([C@@H](C)c2ccccc2)C(=O)[C@H](Cc2ccccc2)NC1=O,0,0,0,1
NC1CCC(N[C@H]2C[C@@H]2c2cncs2)CC1,0,0,0,0
Cc1cc(COc2ccc3c(c2)NCCN([C@H](C)C(=O)NO)S3(=O)=O)cc(C)n1,0,0,0,0
O=C(CCCN1CCC(n2c(=O)[nH]c3ccccc32)CC1)c1ccc(F)cc1,0,0,0,0
COc1ccc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
Cc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(OCCC(C)C)cc1,0,0,0,0
CCC(C)NC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1,1,0,0,0
COc1cc2c(Oc3ccc(NS(=O)(=O)c4cccc(-c5cnn(C)c5)c4)cc3F)ccnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
Cc1c(Nc2c(C#N)cncc2/C=C/c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)ccc2[nH]ccc12,0,0,0,0
C=CCn1c(SCC(=O)Nc2cc(OC)c(NC(=O)c3ccco3)cc2OC)nnc1-c1ccncc1,1,0,0,0
CC(C)Cn1c(N)c(C(=O)COC(=O)CCc2nc3ccccc3s2)c(=O)n(C)c1=O,1,0,0,0
Oc1ccc2c(c1)C1(CCC2)CCN(Cc2ccccc2)CC1,0,0,0,0
CC(C)COc1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1,1,0,0,0
Oc1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(NC(=O)c2ccco2)c1,1,0,0,0
Cc1cc(C)c(NC2=NCCS2)cc1C,0,0,0,0
c1ccc(-c2ccc(Nc3noc4ccccc34)cc2)cc1,0,0,0,0
COc1cccc(-n2sc3c(c2=S)-c2cc(OC)ccc2NC3(C)C)c1,1,0,0,0
COc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(C=O)cc2)c1,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCOCC1,0,0,1,0
Cc1ccc(-c2[nH]n3c(=O)c4c(nc3c2C)CCCC4)cc1,0,0,0,0
Cc1[nH]cnc1CN1CCN(c2cccc(F)c2)C1=O,0,0,0,0
O=C(O)c1ccc(Cn2c(-c3ccccc3)csc2=Nc2ccccc2)cc1,0,0,0,0
COc1ccc(CNC(=O)c2ccc(-c3nc(CSc4ccccc4)c(C)o3)cc2)cc1OC,1,0,0,0
COC(=O)C1(Cc2ccc(OC)cc2)C2c3cc(C(=O)N4CCCC4)n(Cc4ccsc4Br)c3CC2CN1C(=O)c1ccccc1,1,0,0,0
CC1=NN(c2ccccc2)C(=O)C1=Cc1cc2cc(C)ccc2nc1N1CCCCC1,0,0,0,0
COc1cc(CNCc2ccccn2)ccc1OCc1ccc(Cl)cc1Cl,1,0,0,0
COc1ccc(N2CCN(c3nc(=O)c(C)c(C)[nH]3)CC2)cc1,0,0,0,0
CCOC(=O)CCSc1nc(C)c2ccccc2n1,0,0,0,0
CCC(C)NC(=O)C(CSCc1ccccc1)N1Cc2ccccc2C1=O,0,0,0,0
CC(NCc1ccc(OCc2ccc(Cl)cc2)cc1)C(O)c1ccccc1,0,0,0,0
Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC(F)(F)CC6)cc5c4)n3c2)cn1,0,0,0,0
CCn1nc(C)cc1C(=O)NC1CCCc2c1cnn2-c1ccc(C)c(C)c1,1,0,0,0
O=C(O)c1cc(/C=C/C(=O)c2cc(F)ccc2O)c2c(c1)COCO2,0,1,0,0
CCOC(=O)C1(CCOc2ccccc2)CCN(C(=O)c2ccc(-n3cccn3)cc2)CC1,1,0,0,0
COC(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)o1,0,0,0,0
COc1cccc(N/C(SCc2ccccc2F)=C(/C#N)C(=O)NCc2cccs2)c1,1,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3cc(N4CCOCC4)ncc3F)C2)cc1,0,0,0,0
Cc1nc2n(n1)C(=O)C(C(c1ccccc1)N1CCC(O)CC1)S2,0,0,0,0
CC(C)(C)n1nnnc1C(c1ccc(C#N)cc1)N1CCCC2(CCCCC2)C1,0,0,0,0
CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)c1ccc(C(=O)N[C@H]2CC(=O)OC2O)cn1,0,0,1,0
CS(=O)(=O)Nc1ccc(-c2ccc3c(c2)sc2c(N)ncnc23)cc1,0,0,0,0
CC(=O)Nc1nc2ccc(Cc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2s1,0,0,0,0
Cc1ccc(C(=O)[C-](C(=S)NCc2ccco2)[n+]2ccccc2)cc1,0,0,0,0
Cc1c(OC(C)C(=O)NCC(O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3,1,0,0,0
Cc1nnc(SCc2cc(=O)c3ccccc3[nH]2)s1,0,0,0,0
CCOC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O,0,0,0,0
COc1ccc(CN(C(=O)CCC(=O)Nc2cc(C)on2)C(C(=O)NC(C)(C)C)c2cccc(OC)c2OC)cc1,1,0,0,0
Cc1nn(C(C)(C)C)c(OC(=O)C(C)C)c1S(=O)(=O)c1ccccc1,0,0,0,0
COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)C)cc4)cc3)c2cc1OC,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(C(N)=O)c(Nc3cccc(-c4ccc5ccccc5c4)c3)n2)CC1,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NC(C)CO)ncc23)ccn1,0,0,0,0
COC(=O)c1ccc(CN2CCN(CC(C)C)C(CCO)C2)cc1,0,0,0,0
Cn1c(Oc2ccccc2NCc2cc(Br)ccc2O)cc(=O)n(C)c1=O,1,0,0,0
COc1ccc(CNc2ncnc3ccc(-c4ccc5c(c4)OCO5)cc23)c(OC)c1,1,0,0,0
O=C1COc2ccc(C3(O)c4ccccc4C(=O)N3Cc3ccccc3Cl)cc2N1,0,0,0,0
CNC(=O)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1,0,0,0,0
COC(=O)c1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccccn3)cc2)CCOCC1,0,0,0,0
CCc1cccc2c(C(=O)COC(=O)c3ccc(O)cc3)c[nH]c12,1,0,0,0
Cc1ccc(-c2cc(C(=O)NCC3CCCO3)c3ccccc3n2)cc1C,1,1,0,0
COc1nc(-c2nnc(C(=O)c3nc4ccc(-c5ccccc5)cc4s3)o2)c(OCc2ccccc2)c(=O)[nH]1,0,0,0,0
CCOC(=O)C1=NNC2(c3ccc(C)cc3)C(=O)N(c3ccc(Cl)cc3)C(=O)C12,0,0,0,0
CC(C)(C)c1ccccc1OCC1=NCCN1,0,0,0,0
CN(C)C(=O)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1,1,0,0,0
CC1(C)SCCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO,0,0,0,1
CCOC(=O)C1=C(C)NC(=O)NC1C1CC=CCC1,0,0,0,0
CCOC(=O)c1c(N)n(C2CC(C)(C)NC(C)(C)C2)c2nc3ccccc3nc12,0,0,0,0
COc1ccc2nc(-c3ccccc3)cc(C(=O)OCC(=O)N3CCCCC3)c2c1,0,1,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](N(O)C(C)=O)NC1,0,0,0,0
COCCOCCO[C@H]1CCN(c2ccc(C(F)(F)F)cc2C(=O)O)C1,0,0,0,0
COC(=O)N1C(=O)[C@](c2ccccc2)(C2CCCC2)N1C(=O)OC,0,0,0,0
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCc3ccc(C)cc3)c(C)o2)c1,1,0,0,0
O=C(c1ccc2nc(N3CCOCC3)sc2c1)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
NNC(=O)c1oc2nc(-c3cccs3)cc(-c3ccco3)c2c1N,1,0,0,0
O=S(=O)(Nc1cc(Sc2ccccc2)c(O)c2ccccc12)c1ccccc1,0,0,1,0
Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1,0,0,0,0
N#Cc1c(-c2ccco2)nc(SCc2ccc(F)cc2)[nH]c1=O,0,0,0,0
O=[N+]([O-])c1ccc(C(=S)N2CCCC2)cc1,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CC(C)(C)NC2=O,0,0,0,0
CC(=O)Nc1nc(CCc2ccc(N=C(N)N)cc2)c(-c2ccc(S(C)(=O)=O)cc2)s1,0,0,0,0
Oc1ccc(-c2[nH]ncc2-c2ccccc2)cc1,0,0,0,0
Cn1ccnc1Sc1ccc(/C=N/NC(=O)c2ccccc2O)cc1[N+](=O)[O-],0,1,0,0
COc1nc(NCc2cccnc2)nc(OC)n1,0,0,0,0
Cn1c(SCC(N)=O)nc2c([nH]c3ccccc32)c1=O,0,0,0,0
CO[C@@H]1CCc2ccccc2[C@@H]1Nc1cc(O[C@@H]2C[C@@H](COS(N)(=O)=O)[C@@H](O)C2)ncn1,0,0,0,0
O=C1OCc2ccc(NC(=S)Nc3cccc(F)c3)cc21,0,0,0,0
Clc1cc2c(cc1Cl)Oc1c(cc(Cl)c(Cl)c1Cl)O2,0,0,0,0
CCCn1c(=O)c2c(nc(Cc3ccccc3)n2C)n(Cc2ccco2)c1=O,0,0,0,0
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1,0,0,0,0
COc1cc(C2CC(c3ccccc3)=NN2c2ccccc2)ccc1OCC(=O)O,0,1,0,0
CC(=O)Nc1nc2c(C)cc(-c3cncc(S(C)(=O)=O)c3)cn2n1,0,0,0,0
Cn1c(=O)c2[nH]c(-c3ccccc3)cc2n(C)c1=O,0,0,0,0
CC(=O)C(=NNc1ccc(Cl)cc1Cl)Sc1cccc2cccnc12,1,0,0,0
CCCCOc1c(C(=O)c2c(F)cc(Br)cc2F)cnc2n[nH]cc12,0,0,0,1
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCCN(C)C)c3nc4cc(OC)ccc4s3)cc2)CC1,1,0,0,0
COc1ccc(Cc2nnc(N)s2)cc1OC,0,0,0,0
COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(CSC)o3)CC2)cc1,0,0,0,0
O=C(O)/C=C/c1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
COc1ccc2c(C)cc(N[C@H]3CC[C@H](NCc4cn(C)c5ccc(OCc6ccccc6)cc45)C3)nc2c1,0,0,0,0
Cc1ccccc1N(CC(=O)NCC1CCCO1)C(=O)C1(C)CC(=O)N=C2C=CC=CN21,0,0,0,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CCC2)C1c1ccc(C#N)cc1C1=CCOCC1,0,0,0,0
Nc1cc(=O)nc(SCc2cccc(Cl)c2)[nH]1,1,0,0,0
O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1)N1CCCc2ccccc21,1,0,0,0
Cc1ccnc(NC(=O)c2cnc(Cl)c(Cl)c2)c1,0,1,0,0
CCOc1ccc(CC(=O)O)cc1-c1ccc(F)c2c1CN(C(=O)OCC1CCCC1)CC2,0,0,0,0
CC#CCN1c2ccccc2C23CC(C(=O)OC)N(C(C)=O)C2=NC(C(=O)OC)=C(C(=O)OC)C13,1,0,0,0
CCCCOc1ccc(-c2cccnc2)cc1,0,0,0,0
Clc1ccc2nc(-c3ccccn3)c(Nc3ccc4c(c3)OCO4)n2c1,0,0,0,0
COc1cccc(OC)c1C1CCCC(=O)N1Cc1ccc2c(ccn2C)c1,0,0,0,0
COc1cc(CNC2CCCCCCC2)c(Br)cc1OCCO,0,0,0,0
Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC2CCN(Cc4ccccc4)CC2)c2ccccc23)cc1C,0,0,0,1
Cc1ccc(Nc2cc(C)nc3ncnn23)c(Cl)c1,0,0,0,0
Cc1cccc(Nc2ncnc3cnc(NCCc4cnc[nH]4)cc23)c1,0,0,0,0
CCCCN(CCCC)c1ncnc2nc[nH]c12,0,0,0,0
CCC(=O)C(F)CCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O,0,0,0,1
CCc1nnc2c(Nc3ccccc3Br)nc3ccccc3n12,0,0,0,0
Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc(F)c1,0,0,0,0
COc1ncc(Cc2ccc3c(-c4cnn(C)c4)cc(C(N)=O)nc3c2)cn1,0,0,0,0
COc1cccc([C@H]2OC(=O)N[C@@H]2c2cccc(C#Cc3ccccc3)c2)c1,0,0,0,0
O=C(O)CC(c1ccc2c(c1)OCO2)N1CCc2cc(Oc3cccc4c3nc3n4CCCN3)ccc2C1=O,0,0,0,0
CCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccnc(OC)c5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
O=C1C(O)=CC=CC1=CNCc1ccccc1,0,0,0,0
CC[C@@H](c1nccs1)N1C(=O)[C@@](C)(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@H]1c1ccc(Cl)cc1,0,0,0,0
CC(=O)c1cccc(NC2=NCC(C)S2)c1,0,0,0,0
CCN(CC)C(=O)C1=C(C)NC(=S)NC1c1ccc(C)s1,0,0,0,0
CCOC(=O)C1CCN(C(=O)CN(c2cc(OC)ccc2OC)S(=O)(=O)c2ccccc2)CC1,1,0,0,0
COc1ccccc1N1CCN(CCCCCNS(=O)(=O)c2cccc3c(N(C)C)cccc23)CC1,0,0,0,0
Cn1cc(-c2cc(C(=O)O)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
Cc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1,0,0,0,0
N#Cc1ccc(N2N=C(c3ccc(C(=O)O)cc3)C[C@@H]2c2ccc(F)cc2)cc1Cl,0,0,0,0
Cc1ccc(-c2cc(-c3ccccc3)no2)cc1,0,1,0,0
C1=CC2c3ccccc3NC(c3ccncc3)C2C1,1,0,0,0
COCCC1CCCCN1C(=O)c1ccc(OC2CCN(C(C)=O)CC2)c(OC)c1,0,0,0,0
Cc1ccc(-c2ccc(N3C(=O)C(=O)C(C(=O)C(C)C)C3c3cccnc3OCCO)cc2)o1,0,0,0,0
COc1ccc(C=NNC(=S)NCc2ccccc2)cc1OC,0,0,0,0
CC(C)N1CC(C(=O)Nc2ccc(C#N)cc2)CC1=O,0,0,0,0
COc1cc2c(cc1CN1CCC(O)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,0,0,0,0
CCOC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1,0,0,0,0
Cc1ccccc1Nc1nc(N)nc(CSc2nnnn2C)n1,0,0,0,0
CCc1ccc2[nH]c(=O)c(C(c3nnnn3Cc3ccco3)N3CCC(C)CC3)cc2c1,0,0,0,0
CN1CCN(S(=O)(=O)c2ccc(=O)[nH]c2)CC1,0,0,0,0
COc1ccc(N2CCC(CNC(=S)Nc3cccc(OC)c3)C2)cc1,1,0,0,0
Oc1ccc(Nc2nc(-c3ccc4ccccc4c3)cs2)cc1,0,1,0,0
CCc1cc2c(cc1N1CCN(CC(O)(CCC(=O)O)CC(=O)O)CC1)C(C)(C)c1[nH]c3cc(C#N)ccc3c1C2=O,0,0,0,0
COc1cc(CN(CC2CCC(C(=O)O)CC2)C2CCc3c2ccc(F)c3Cl)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
C=CC(=O)N1CCN(c2ccc(C(N)=O)c(Oc3ccc(Oc4ccccc4)cc3)n2)CC1,0,0,1,0
O=C1CCc2ccc(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cc2N1,0,0,0,0
Cc1cc(C)n(-c2nnc(SCC(=O)NC3CCCC3)c3ccccc23)n1,1,0,0,0
COc1cccc(CN2CCN(Cc3cc(OC)c(OC)cc3OC)CC2)c1,0,0,0,0
CCCC1=Nc2cc(C(=O)NCCc3ccc(OCC)cc3)ccc2Sc2ccccc21,1,0,0,0
Cc1ccccc1CN1CCNC(=O)C1CC(=O)NC1CCCCCCC1,1,0,0,0
C[C@]12CC[C@@H]3c4ccc(O)c(F)c4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccccc1,0,0,0,0
CCC1c2ccccc2-c2cc(Cc3cncc4cc(OC)c(OC)cc34)ccc21,0,0,0,0
Cc1ccccc1OCc1nnc(SCc2nc3ccccc3c(=O)[nH]2)n1C,0,0,0,0
COc1ccc([C@H](Nc2c(Nc3cccc(C(=O)N(C)C)c3O)c(=O)c2=O)C(C)C)cc1F,0,0,0,0
CCCSc1ccc(-c2nn(-c3ccccc3)cc2C=C(C#N)C(=O)NCCCOC)cc1,0,0,0,0
COc1ccc(N(C(=O)c2ccncc2)S(=O)(=O)c2ccc(F)cc2)cc1,0,0,0,0
CC(=O)Nc1cccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)c1,1,0,0,0
CSc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1,0,0,0,0
COc1cc2c(cc1NCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12,0,0,0,0
CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@@]21C,0,0,0,0
CCN1CCN(C(=O)c2cn(CC3CCCC3)c3c(OC)cccc23)CC1,0,0,0,0
Cc1cccc(-c2cc(C(N)=O)c3[nH]c4cc(N5CCN(Cc6ccccc6)CC5)ccc4c3c2)c1,0,0,0,0
C[C@@]1(O)CC[C@H](c2cccnc2Oc2ccc(C(=O)c3nc4ccccc4[nH]3)cc2)C1,0,0,0,0
O=C1C(Cl)=C(N2CCOCC2)C(=O)N1c1ccccc1Cl,0,0,0,0
Cc1ccc(CC2CC(=O)N(CCc3ccc4c(c3)OCO4)C2=O)cc1,1,0,0,0
CC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12,0,0,0,1
Cc1cc(-c2cnc(OCC(C)(C)C(=O)O)c(F)c2)ccc1-c1ncc(C(F)(F)F)[nH]1,0,0,0,0
CC1CN(c2ccccc2[N+](=O)[O-])CC(C)N1CCN1C(=O)CC2(CCCC2)CC1=O,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccccc3)cccc2c1,0,0,0,0
CC(C)N(C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(C)C,1,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1OC,1,0,0,0
CC1(C)CC(=O)C(C=NCC2CCCO2)=C(O)C1,0,0,0,0
COc1ccc(C(=S)N2CCCC2)cc1C,0,0,0,0
CNc1nc(-c2ccc(P(=O)(O)O)o2)c(CC(C)C)s1,0,0,0,0
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1ccc(Cl)cn1,0,0,0,0
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc1,1,0,0,0
CCc1cccc(C)c1Nc1c(-c2cccc(O)c2)nc2cnccn12,0,0,0,0
O=C(c1ccc(-c2noc(=O)[nH]2)cc1)N1CCC(N2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,0,0,0,0
O=c1cc(NCc2ccccc2)nc2ccccn12,0,0,0,0
Cc1ccc(CCNC(=O)C2CCC(=O)N(CC3CCCCC3)C2)cc1,1,0,0,0
CCCCn1c(-c2ccccc2)cnc1SCC(=O)NCCc1ccc(OC)c(OC)c1.Cl,0,1,0,0
COc1ccccc1N1CCN(C(=O)CN(CCc2ccccc2)S(C)(=O)=O)CC1,1,0,0,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C[C@@H]3CO3)[C@@H]1CCC2=O,0,0,0,0
COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)c1ccccc1C(=O)O,0,1,0,0
CN(c1ccccc1)c1cc2c(cc1Nc1ccccc1)C(=O)NC2=O,0,0,0,0
O=C(O)CNC(=O)c1ncc(-c2ccc(Cl)cc2)cc1O,0,0,0,0
O=C1OCc2ccc(OCc3ccc(Br)cc3)cc21,0,0,0,0
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(C)n2)c1C,0,1,0,0
O=C(O)c1ccc(NN=C2CCSc3ccc(F)cc32)cc1,0,0,0,0
Cc1c(CCO)c(=O)n2c([nH]c3ccccc32)c1C#N,0,0,0,0
CC12CCC(C(=O)NCCc3ccccc3)(OC1=O)C2(C)C,0,0,0,0
COc1cccc(N2CCN(C(=O)c3cnn(-c4ccccc4Cl)c3C3CCN(C(=O)OC(C)(C)C)CC3)CC2)c1,1,0,0,0
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(=O)N[C@H](C(N)=O)C(C)C,0,0,1,0
COc1ccc2c(c1)OC(C)(C)c1cn(CCN3CCN(C(=O)c4ccco4)CC3)nc1-2,0,0,0,0
CSc1nc(-c2cccc(C(F)(F)F)c2)c(-c2ccnc(NCc3ccccc3)c2)[nH]1,0,0,0,0
CCOC(=O)c1c(-c2ccc(OC)cc2)cn2ccccc12,0,0,0,0
Cc1cc(C)cc(N(C(=O)c2ccc3c(c2)OCO3)C2C=CS(=O)(=O)C2)c1,0,0,0,0
CCC(CC)COC(=O)C1=C(C)NC(=O)NC1c1ccc(N(C)C)cc1,0,0,0,0
CNC[C@@H]1CCCC[C@@]1(OC)c1cccc(OC)c1,0,0,0,0
Cc1c2cc(-n3ccc(OCc4ccc(Cl)cc4)cc3=O)ccc2nn1C,0,0,0,0
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1,0,0,0,0
Cc1nn(C)c(Cl)c1CN1CCC(Oc2ccc(C(=O)N3CCCC3)cc2)CC1,0,0,0,0
CN1CCN(C(=O)c2ccc(C[S+]([O-])Cc3ccc(Cl)cc3)o2)CC1,0,0,0,0
O=C(c1ccc(Cl)cc1)c1ccc(OC2CN3CCC2CC3)cc1,0,0,0,0
Cc1cc(N2CC3CCN(C(=O)c4cc(F)ccc4-n4nccn4)CC32)nc(N(C)C)n1,0,0,0,0
COc1ccc(N2CCN(c3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)cc1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OCC(=O)OC)c(OC)c1,0,0,0,0
CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Br)cc1,1,0,0,0
CCc1ccc(NS(=O)(=O)c2ccc3[nH]cc(C(=O)N4CCCCC4)c(=O)c3c2)cc1,1,0,0,0
O=C(O)CCN1CC(c2nc3ccccc3n2C2C[C@H]3CCC[C@@H](C2)N3C2C[C@H]3CCCC[C@@H](C2)C3)C1,0,0,0,0
O=C(O[C@@H]1CCC[C@H](OC(=O)c2cc(O)c(O)c(O)c2)C1)c1cc(O)c(O)c(O)c1,0,0,0,0
CC(C)C(=O)C1C(=O)C(=O)N(c2ccc(-c3ccoc3)cc2)C1c1cccnc1OCCO,0,0,0,0
COc1ccc(-c2cc(-c3nnc(COC(=O)C4CC4)o3)c3ccccc3n2)cc1OC,1,0,0,0
Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)N2CCCCC2)CC1,0,0,0,0
Cc1ccc(-c2n[nH]c3c2Cc2cc(CNC4CCC(C)CC4)ccc2-3)cc1,0,0,0,0
NC(=O)c1cnc(NCCc2ccc(O)cc2)nc1Nc1ccccc1,0,0,0,0
Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)sc21,1,0,0,0
O=C(c1ccc2c(c1)OCO2)N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
CC1(C)C=C2C(=NN(c3ccccc3)C(N)=C2C#N)CO1,0,0,0,1
COC1CCC2(CC1)Cc1ccc(CCC3CC3)cc1C21NC(=S)N(Cc2ccc(C#N)cc2)C1=O,0,0,0,0
COC(=O)N[C@H]1CC[C@@](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1,0,0,0,0
CCCNC(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0,0,0,0
OCC1c2ccccc2-c2ccc(OCCN3CCCCC3)cc21,0,0,0,0
Cc1c2cnn(CC(=O)NC3CCCC3)c(=O)c2c(C)n1Cc1ccccc1,0,1,0,0
c1ccc(Cn2nnnc2C(c2ccccn2)N2CCN(c3ccccc3)CC2)cc1,0,0,0,0
Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccncc2)CC1,0,0,0,0
CC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1,1,0,0,0
OC(CSc1c(Cl)cccc1Cl)CN1CCN(c2ccc(F)cc2)CC1,1,0,0,0
CN1CCN(c2ccc3ncc(C(N)=O)c(Nc4ccc(F)cc4F)c3c2)CC1,0,0,0,0
O=c1cc(CN2CCOCC2)c2ccc(O)c(O)c2o1,0,0,0,0
O=S(=O)(C=Cc1ccccc1)Nc1ccc2c(c1)OCO2,0,0,0,0
CCNc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncn(C)c(=O)c12,0,0,0,0
Cc1ccc(C)c(N(Cc2ccccc2F)S(C)(=O)=O)c1,0,0,0,0
Fc1ccc(/C=C/c2nc(N3CCC[C@@H]3CN3CCCC3)c3cc(Cl)ccc3n2)cc1F,0,0,1,0
CCC(C)(C)n1nnnc1CN1CCN(c2ccc(OC)cc2)CC1,1,0,0,0
COc1ccc(C(=O)N2CCOCC2)cc1-c1cc2c(n1C(C)C)C(c1ccc(Cl)cc1)N(c1ccc(F)c(Cl)c1)C2=O,0,0,0,0
NS(=O)(=O)c1cc2c(cc1C(F)(F)F)N=CNS2(=O)=O,0,0,0,0
COc1cccc(C(=O)N2CCC(N3CCN(Cc4ccc(F)cc4)C(=O)C3=O)CC2)c1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3ccccc3F)c2)s1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)c(C)c1,0,0,0,0
COCCn1c(C)cc(O)c(C(c2ccccc2Cl)N2CCCCC2)c1=O,0,0,0,0
CN(C)S(=O)(=O)c1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1,0,0,0,1
COc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3F)c2)cc1OC,1,0,0,0
CC(C#N)Sc1nc2ccccc2c(=O)n1-c1ccccc1,0,0,0,0
COc1cc2c(cc1OC)C(=O)N1C3c4cc(Cl)ccc4OCC3C(c3ccccc3)C1(C)C(=O)N2,1,0,0,0
Cc1nn(C)c(C)c1N(CC(F)F)S(=O)(=O)c1c(Cl)cc(CCCN2CCCNCC2)cc1Cl,0,0,0,0
CC1(C)Oc2ncnc(N)c2N=C1c1ccc(-c2ccc(CC(=O)O)cc2)cc1,0,0,0,0
CCOC(=O)c1c(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c(C)n1C,0,0,0,0
O=c1c2cc(Cl)ccc2[nH]c(=S)n1Cc1ccco1,0,0,0,0
CCN(CC)CCOc1ccc2c(c1)C(C)(C)c1oc3cc(Cl)ccc3c1C2=O,0,0,0,0
COc1cc(-c2cccnc2)nc2c(S(=O)(=O)c3ccccc3)c(SC)nn12,0,0,0,0
S=c1nc(-c2ccccc2)n(-c2ccccc2)[nH]1,0,0,0,0
CC(=O)c1c(C)cc(C)c(CSc2nc(=O)cc(C)[nH]2)c1C,0,0,0,0
COc1cc(C=CC(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)cc(OC)c1OC,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCSC(C)=O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
O=C(c1ccc(F)cc1)n1c(NCc2ccccc2)n[nH]c1=S,0,0,0,0
COc1ccc(-c2cc3c(N[C@H]4CC[C@@](C)(C(N)=O)C4(C)C)c(C(N)=O)cnn3c2)cn1,0,0,0,0
Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Br)cc3)n2)cc1,0,0,1,0
c1coc(Cc2ccc(OCCN3CCCC3)cc2)c1,0,0,0,0
CCOC(=O)c1ccc(NC(=O)C2C3CCCCC32)cc1,0,1,0,0
CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c(-c3ccc(F)cc3)[nH]2)cc1,0,0,0,0
COc1cc(CNCCN2CCOCC2)ccc1OCc1cccc(Cl)c1,0,0,0,0
CC1CCN(S(=O)(=O)N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1,0,0,0,0
CCCc1cc(NCCC2CCN(Cc3ccccc3)CC2)nnc1-c1ccccc1,0,0,0,0
NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,0,0,0,0
O=c1[nH]c2nc(SCc3ccccc3Cl)ncc2c(=O)n1-c1ccccc1,0,0,0,0
CN(C)CCCOC(=O)Nc1cccc(CN2N=C(c3cc(F)cc(F)c3)CSC2=O)c1,0,0,0,0
CCOC(=O)c1nc(Nc2ccccc2Cl)nc(Nc2cc(C3CC3)[nH]n2)c1[N+](=O)[O-],0,0,0,0
COc1cc(CNc2cc(C)ccc2C)cc(OC)c1OC,0,0,0,0
CS(=O)(=O)C1(c2cc(N3CC4CCC(C3)O4)nc(-c3cccc4[nH]ccc34)n2)CC1,0,0,0,0
Cc1ccc(NC(=O)C[S+]([O-])CC(=O)N(CC(=O)NC(C)(C)C)c2cccc(C)c2C)cc1,1,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2CNC=O)c1C,0,0,0,0
Cc1ccc(-n2c(C)cc(C)c(C#N)c2=O)cc1Cl,0,0,0,0
COCc1cc(/C=N\NC(=O)COc2ccc(Cl)cc2)ccc1OC,1,0,0,0
O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0,0,0,0
Cn1c(=O)c2nc(Cl)n(Cc3ccc(Cl)cc3Cl)c2n(C)c1=O,1,0,0,0
Cc1nnc(NS(=O)(=O)c2cc(Cl)c(Oc3ccc(Cl)cc3-c3ccnn3C)cc2F)s1,0,0,0,0
CC(C)[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]21,0,0,0,0
OCCCc1cn(CC2CCCCC2)nn1,0,0,0,0
O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)o1,0,1,0,0
CCOC(=O)c1cnc2cc(-c3ccc(OCC)cc3)nn2c1-c1ccccc1,0,0,0,0
COc1cccc(/C=N/N2CCOCC2)c1O,0,1,0,0
O=S(=O)(c1ccc2sccc2c1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
COc1cccc(OC)c1OCCCSc1nc(C)cc(=O)[nH]1,0,0,0,0
CN1CCN(C(=O)c2cccc(Nc3c(Nc4ccccc4)c(=O)c3=O)c2O)CC1,0,0,0,0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCN(C(=O)c3ccco3)CC2)cc1,0,0,0,0
Cc1nnc(-c2ccc3[nH]nc(-c4ccc(F)cc4)c3c2)o1,0,0,0,0
CC(O)CNc1ncnc2nc[nH]c12,0,0,0,0
CN(C)S(=O)(=O)Nc1ccc(Cc2nc3c([nH]2)c(=O)n(Cc2ccccc2F)c(=O)n3CC2CC2)cc1,0,0,0,0
CCNC(=O)CC1SC(=Nc2cccc3ccccc23)N(C)C1=O,0,0,0,0
O=C(O)Cc1ccc(NCc2ccccc2Cl)cc1,0,1,0,0
O=C(c1ncc[nH]1)c1ccccc1C(=O)N1CCOCC1,0,0,0,0
COc1cc2cc(-c3ccc(CN(C)Cc4cccc(C)c4)cc3)c(=O)oc2cc1OC,0,0,0,0
CCOc1cccc(C2CC(=O)Nc3cc4c(cc32)OCCO4)c1,0,0,0,0
O=c1nc(SCc2ccc(F)cc2)[nH]c2c1cnn2-c1ccc(F)cc1,1,0,0,0
CCOC(=O)CN=c1c(N2CCN(c3ccccn3)CC2)c(O)c1=O,1,0,0,0
CC(C)(C)N[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccccc3)n2)[C@H](C#N)C1,0,0,0,0
C[C@@]12C(=O)Nc3ccc(Br)cc3C(=O)N1[C@H]1c3ccccc3OC[C@@H]1[C@@H]2c1ccccc1,0,0,0,0
O=C(OCC1CCCO1)c1ccc2c(c1)N(Cc1ccccc1F)C(=O)c1ccccc1S2(=O)=O,0,0,0,0
Cc1nn(-c2ccccc2)c(N)c1Sc1cccc([N+](=O)[O-])c1,0,0,0,0
CC1(C)CC(=O)C(=CNc2ccccn2)C(=O)C1,0,0,0,0
CNC(CC(C)C)C1(c2ccc(Cl)c(Cl)c2)CCCCC1,0,0,0,0
Nc1ccc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,0,0,0,0
O=C(Nc1nnc(SCC(=O)N2CCCCC2)s1)c1ccc(F)cc1F,0,1,0,0
Cc1[nH]c2ccccc2c1/C=N\NC(=O)Cn1nnc(-c2ccccc2)n1,1,0,0,0
O=C(N/N=C/c1ccc(O)cc1O)c1ccc(CN2C(=O)c3cccc4cccc2c34)cc1,1,0,0,0
CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2ccc(N3CCC(C(C)(C)O)CC3)nc2n1,0,0,0,0
COc1[nH]c(N=Cc2ccccc2)c(C#N)c1C#N,0,0,0,1
CN(C)CCc1nc2ccccc2c(=O)n1-c1ccccc1,0,0,0,0
Cc1ccccc1C=NN1C(=O)CSC1=S,0,0,0,0
O=C(O)c1ccc(CN2CCCC(Nc3ccc(Oc4ccc(-c5ncco5)cc4)cc3)C2)cc1,0,0,0,0
CCOC(=O)c1[nH]c2ccccc2c1NC(=S)Nc1cccc(C)c1C,0,0,0,0
COc1cc(CNCc2c[nH]c3ccccc23)cc(OC)c1,0,0,0,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCNCC4)ccc3OCC)nc12,0,0,0,0
[O-]/[N+](=C\c1ccc(OC(F)F)cc1)c1ccccc1,0,1,0,0
COc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(C)c3c2N)cc1OC,1,0,0,0
COCCCNC(=S)NNC(=O)c1csc(C)n1,0,0,0,0
C=C(CNS(C)(=O)=O)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CCn1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)NC)cc3)nc21,0,0,0,0
Cc1ccnc(SC2CC(=O)N(c3ccc(Br)cc3)C2=O)n1,0,0,0,0
C[C@@H]1CCCN1CCc1ccc(-c2ccc(NC(=O)CCC(=O)O)cc2)cc1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)OC(=N)C(C#N)C21CCN(C(=O)OCc2ccccc2)CC1,1,0,0,0
CCc1nccc(-c2ccc(C(=O)N3C[C@@H]4CC3CN4C)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=c1[nH]c(N2CCC(c3ccccn3)C2)nc(N[C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c1-c1nc2ccccc2s1,0,0,0,0
CC(C)(CNS(C)(=O)=O)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCCC(=O)O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
COc1ccc(-c2ccc(S(=O)(=O)N[C@@H](C(=O)O)C3C=C[C@@H](O)CC3)cc2)cc1,0,0,0,0
CN(C)c1ccc(/C=N/NC(=O)COc2ccccc2)cc1,0,1,0,0
Cc1cc(C)n(-c2cc(N3CCOCC3)nc(-c3ccccc3)n2)n1,1,0,0,0
COc1ccc(/C=N/N(C)c2cc(=O)n(C)c(=O)[nH]2)cc1OC,0,1,0,0
O=c1[nH]c(CN2CCCCC2)nc2ccccc12,0,0,0,0
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1,0,0,0,0
OC(CN(Cc1cccc(C(O)(C(F)(F)F)C(F)(F)F)c1)c1cccc(Oc2ccccc2)c1)C(F)(F)F,0,0,0,0
Cc1ccc2c(=O)c(C(=O)NCCC(C)C)c[nH]c2n1,0,0,0,0
COC(=O)C1(C)CC1(c1ccccc1)c1ccccc1,0,0,0,0
NCCOc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cn1,0,0,0,0
Cc1cccc(C(=O)Oc2ccccc2C=NNc2ccc([N+](=O)[O-])cc2)c1,1,0,0,0
CC(=O)C(=CNCC(=O)O)C(=O)Nc1nccs1,0,0,0,0
COc1cc(CNc2c(F)ccc(OCC(=O)O)c2F)cc(-c2cccc(F)c2)c1,0,0,0,0
CCC(CC)C1=NN2C(=N)C(=Cc3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1,1,0,0,0
COc1cc(S(=O)(=O)c2cc(Cl)cc(Cl)c2)cc2c3c(oc12)CCNC3,0,0,0,0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCc2ccccc21,0,0,0,0
Cc1cc(C)cc(C2=C(OCCC3CCCCN3)c3cc(-c4ccccc4)c(Cl)cc3NC2)c1,0,0,0,0
CCCNc1nc(N(C)C)nc2c1cnn2CC(Cl)c1ccccc1,0,0,0,0
O=C1C2C3CCC(C3)C2C(=O)N1Cc1ccccc1,0,0,0,0
Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1,0,0,0,0
Cc1cc(OCc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c(C)cc1CC(=O)O,0,0,0,0
O=C(CSc1nc2cc(Cl)ccc2[nH]1)c1ccc2c(c1)OCO2,1,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(Oc3c(C#N)cccc3C#N)cc2)cc1,0,0,0,0
CCCC1(C(=O)OCC)NC(c2ccc(N(C)C)cc2)C2C(=O)N(c3ccccc3)C(=O)C21,0,0,0,0
CC1CCN(S(=O)(=O)c2ccc3c(c2)c(=O)c(C(=O)N2CCCCC2)cn3C)CC1,0,0,0,0
CCCc1cc(=O)nc(SCc2cc(C(=O)OC)c(C)o2)[nH]1,0,0,0,0
Cc1cccc(-c2cc([C@@H](C)Oc3nnc(-c4cn[nH]c(=O)c4)n3C)no2)c1,0,0,0,0
CC(C)CCOc1ccc(C2CC(=O)N(C)C2=O)cc1,0,0,0,0
O=C1C(=O)N(Cc2ccccc2F)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0,0,0,0
Cc1cccc(C2C3C=CCC(C)C3C(=O)N2Cc2ccccc2)c1,0,0,0,0
COc1cc2c(cc1OC1CCOCC1)Cc1c(-c3ccc(C#N)cc3)n[nH]c1-2,0,0,0,0
Cc1c(C(=O)O)cccc1-c1ccc(C=Nn2cnnc2)o1,0,0,0,1
CC(=O)c1cc(-c2ccccc2)[nH]c1N1CCCC1,0,0,0,0
COc1ccc(CC2C(=O)NC(=S)NC2=O)cc1,0,0,0,0
COc1ccc(OC)c(-c2c[n+](=O)c3c(n2[O-])CCCC3)c1,0,0,0,0
Cn1c2c(c3cc(S(=O)(=O)c4cc(F)ccn4)ccc31)C1CCC(C2)N1,0,0,0,0
CNc1ncc2c(n1)N(CCCNC(=O)/C=C/CN(C)C)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2,0,0,1,0
Cc1cc(-c2nnc(-c3cccc(Cl)c3)o2)no1,0,1,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4(F)F)nc3)C2)cc1,0,0,0,0
CN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cc1cccc(C)c1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1,0,0,0,0
Cc1c(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc2c3c(c(=O)oc12)CCC3,0,0,0,0
CC[C@@]12C[C@H](O)[C@H](c3ccccc3)C[C@H]1CCc1cc(O)ccc12,0,0,0,0
Cn1c(O)c(C=NN2CCCCC2)c(=O)[nH]c1=O,0,0,0,0
CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC(F)(F)F)cc1,0,0,0,0
CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O,0,0,0,0
CCOc1cccc(OCCn2cnc3ccccc3c2=O)c1,0,0,0,0
Cc1cn(-c2ccc3n(c2=O)CCN(CC2CC(c4cc(C(F)(F)F)cc(Cl)c4F)=NO2)C3=O)cn1,0,0,0,0
CCOC(=O)c1c(C(=O)OCC)c2c(-c3ccccc3)cc(N3CCOCC3)nn2c1COC,0,0,0,0
COC(=O)C1(C)CCCC2(C)C3CCC4(OC(C)=O)CC3(CCC12)CC4=O,1,0,0,0
O=c1[nH]cnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1,0,0,0,0
CC1CCN(c2nc3ccc(C(=O)NC(C)C)cc3s2)CC1,0,1,0,0
Cc1nc(-c2ccsc2)sc1COc1ccc2c(c1)OCC2CC(=O)O,0,0,0,0
CN1C(=O)CCc2cc(-c3cncc4c3CCCC4=O)ccc21,0,0,0,0
CN(c1ccc(C(F)(F)F)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
Cc1noc2ncnc(Oc3ccccc3Cl)c12,0,0,0,0
CC(C)S(=O)(=O)NC[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
CCOc1ccc(N(C)S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C(C)C)cc1,0,0,0,0
Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCC4)C3)c(C)o2)c1,1,0,0,0
O=c1[nH]c2ccc(NC(=S)NCCc3ccccc3)cc2[nH]1,0,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)C[C@@H]3COCC(=O)O)nc2-c2ccc(C)cc2)c1,0,0,0,0
COc1ccc(-c2ccc(C(=O)O)cc2C)cc1-c1ccc(F)cc1[C@@H]1CC[C@H]2[C@@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)OC(=O)N12,0,0,0,0
Cc1c(OC(C)C(=O)O)ccc2c3c(c(=O)oc12)CCCC3,0,0,0,0
Cc1cc(C(=O)N2CC3CNCC(C3)C2)no1,0,0,0,0
Cc1ccc(Cc2nc3ccccc3nc2SCC(=O)NCCC(C)C)cc1,0,0,0,0
CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccc(Cl)cc4)cc3c(=O)c2c1,0,0,0,0
C=CCC(Nc1ccccc1)c1cccc(OC)c1OC,0,0,0,0
Cc1nc(Cl)c2c(n1)NC(=O)CO2,0,0,0,0
COc1nn2cc(-c3ccccc3Cl)nc2s1,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(F)cc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
CCC(=O)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O,0,0,0,1
CCN(C(C)=O)c1nc(CCl)cs1,0,0,0,0
CCOC(=O)C1(Cc2cccc(OC)c2)CCCN(S(=O)(=O)CC)C1,0,0,0,0
CN(C)c1cccc2c(S(=O)(=O)N3CCCC3)cccc12,0,0,0,0
CC(C)[C@H]1C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2-c2nc3cc(C(=O)N(C)C4CCN(C)CC4)ccc3n21,0,0,0,0
COc1cccc(CNc2ncc(-c3ccccc3)n2C)c1,0,0,0,0
COc1ccc(-c2cc(=O)[nH]c(=S)n2CC(N)=O)c(OC)c1,0,0,1,0
COc1ccc2c(c1OC)C(=O)N1c3ccccc3C(=O)N(c3ccccc3)C21,0,0,0,0
CC1CN(C(=O)c2ccccc2)OC(c2ccc3c(c2)OCO3)O1,0,0,0,0
Cc1cc(C)cc(-n2c(-c3ccccc3)c(C)n3c4c(=O)n(C)c(=O)n(C)c4nc23)c1,0,0,0,0
Cc1cc(C)c(C#N)c(N2CCSCC2)n1,0,0,0,0
CCN(CC)CCN(Cc1ccc(Cl)cc1)c1ccc2cc(C(=N)N)c(=O)oc2c1,0,0,0,0
O=C(c1ccccc1)c1ccc(Cn2cc(CN(Cc3cn(Cc4ccc(C(=O)c5ccccc5)cc4)nn3)Cc3cn(Cc4ccc(C(=O)c5ccccc5)cc4)nn3)nn2)cc1,0,0,0,0
CN1Cc2cc(ccc2S(=O)(=O)C2CC2)NC(=O)N(CC2CC2)CCc2cccc(c2)C(Nc2ccc3c(N)ncc(F)c3c2)C1=O,0,0,0,0
O=C(Nc1ccc2c(c1)OCCO2)C(=O)NC1CC1,0,1,0,0
Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(F)cc1,0,0,1,0
O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(Oc3c(F)cccc3Cl)cc2)cc1,0,0,0,0
COCCN(CCOC)c1nc(-c2ccc(C)cc2)nc2ccccc12,1,0,0,0
CC(=O)N1CCN(C(=O)c2ccc(-n3c(C)ccc3C)cc2)CC1,0,0,0,0
COc1ccccc1C(=O)Oc1cc(N)n(S(=O)(=O)c2ccc(C)cc2)n1,1,0,0,0
Cc1cccc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O,0,0,0,0
Cc1nc2ccccc2c(=O)n1NC(=O)c1cc(Br)ccc1Cl,0,0,0,1
CC(=O)N1CCC(Oc2ccc(I)cc2[C@@H]2NC(=O)C[C@H](c3cccc(Cl)c3)[C@@]23C(=O)Nc2cc(Cl)ccc23)CC1,0,0,0,0
CCOc1ccc(C(=O)/C=C/c2cn(CC(O)CN3CCCCCC3)c3ccccc23)cc1,1,0,0,0
Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)on3)cc2)cc1,1,0,0,0
CN(C)c1ccc(C=NNC(=S)NCc2ccccc2)cc1,0,0,0,1
CCc1cccc(CC)c1C(OC(C)=O)c1cccnc1,0,0,0,0
CN[C@@H](C)C(=O)NC(Cc1cc(C)c(C(F)(F)F)cc1F)C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2c(OS(=O)(=O)F)cccc21,0,0,1,0
Cc1sc2ncn(CC(=O)OC(C)C)c(=O)c2c1C,0,0,0,0
N#Cc1ccc(C2NC(=O)N(c3cccc(C(F)(F)F)c3)C3=C2C(=O)CC3)c(-c2cn[nH]c2)c1,0,0,0,0
COc1cc(NC(=O)N2CCC3(CC2)Nc2cc(F)ccc2-n2cccc23)cc(OC)c1OC,1,0,0,0
CN1CCC(n2cc(Nc3ncc(Cl)c(CCc4ccccc4C4(C(N)=O)CC4)n3)cn2)C1,0,0,0,0
Cn1ncc2c1nc(N)n1nc(-c3ccco3)nc21,0,0,0,0
CC(C)[C@H](CO)NCc1nc(N2CCC(F)(F)CC2)ccc1F,0,0,0,0
COc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)c(OC)c1,1,0,0,0
N#CC1(c2ccccc2C(F)(F)F)CCC(CNc2ncccc2NC(=O)CC(F)(F)F)CC1,0,0,0,0
CCOc1c(NCCC2CN(C(=O)OCc3cc(Cl)cc(Cl)c3)CCO2)c(=O)c1=O,0,0,0,0
O=c1[nH]c(=O)n(-c2ccccc2)c(O)c1/C=C/C=N/c1ccccc1,0,0,0,0
CCN(CC)c1ncc(-c2cccc([C@H](C)Nc3cc(-c4ccc5ncsc5c4)nc(C)n3)c2)cn1,0,0,0,0
COc1cc(S(=O)(=O)c2cccc(C(C)(C)O)c2)cc2c3c(oc12)CCNC3,0,0,0,0
COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cn2)c(F)c1,0,0,0,0
C/C(=N\Nc1nc2ccccc2s1)c1ccc2c(c1)OCO2,0,1,0,0
O=C(O)C1CCCN1S(=O)(=O)c1cccc(S(=O)(=O)N2CCCC2C(=O)O)c1,0,0,0,0
CCOC(=O)c1cnn(-c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)c1N,0,0,0,0
COc1ccc(Cc2nc3ccc(C(=O)NCc4cc(C)no4)cc3o2)cc1,0,1,0,0
COc1ccc(CN2CCC(=O)C(C(c3ccc(F)cc3)c3ccc(F)cc3)C2)c(OC)c1,0,0,0,0
O=C(c1ccccc1-n1nccn1)N1CCC(F)(F)C(Oc2nccc3ccccc23)C1,0,0,0,0
CCc1cc2c(=O)[nH]c(CC(N)=O)nc2s1,0,0,0,0
O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Cl)cn1,0,0,0,0
Cc1ccc(C2(SC[C@H](N)C(=O)O)c3ccccc3CCc3ccccc32)cc1,0,0,0,0
O=C(NCC(O)c1ccccc1)c1cccs1,0,1,0,0
CCN1CCN(CC(=O)N2N=C(c3cccs3)CC2c2ccc(C)cc2)C(=O)C1=O,0,0,0,0
CC(=O)NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)cc1,0,1,0,0
CCC(=O)N1C[C@H]2C[C@@H](Nc3c(C(N)=O)cnn4cc(-c5ccc(F)nc5)cc34)[C@H](C)[C@H]2C1,0,0,0,0
CCOC(=O)C(=CNc1cc(C(F)(F)F)ccc1N1CCOCC1)C(=O)OCC,0,0,0,0
OC1C2CC3CC1CC(C2)C3(Cc1nn[nH]n1)c1ccc(-c2ccncc2)cc1,0,0,0,0
Cc1cc(Nc2ncc(Cl)c(Nc3cn(C)nc3S(=O)(=O)C(C)C)n2)c(OC(C)C)cc1C1CNC1,0,0,0,0
Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])s2)c1C,1,0,0,0
CCC(C)(C)C1CCC(N2CCC(N3C(=O)Cc4ccccc43)CC2)CC1,0,0,0,0
CC(C)[C@H](CO)NCc1nc(-c2ccc(Cl)s2)ccc1F,0,0,0,0
Cc1cc2n[nH]c(=O)n2c2cc(-c3ccc(CN4CCOCC4)cc3)ccc12,0,0,0,0
CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c(C)c(C)c3=O)CC2)c1,0,0,0,0
CN(C)CCNc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)cn1,0,0,0,0
Cc1noc(C)c1CSc1nnc2ccc3ccccc3n12,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)c2ccc3nc(-c4ccccc4)[nH]c3c2)CC1,0,0,0,0
Cc1ccc(Cc2c(C)nc3nc(SCC(=O)NCCC(C)C)nn3c2C)cc1,0,0,0,0
C=CCn1cc(C=NN2C(=O)C3C4C=CC(C4)C3C2=O)c2ccccc21,0,0,0,0
CCSc1nc2c(c(=O)[nH]1)C(c1ccccn1)C1=C(CC(C)(C)CC1=O)N2,0,0,0,0
Brc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1,0,0,0,0
O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc2c(c1)OCO2,0,0,1,0
Cn1nc(Nc2cc(-c3cccc(N4CCc5c(sc6c5CCCC6)C4=O)c3CO)nn(C)c2=O)cc1C(C)(C)O,0,0,0,0
COc1ncc(Nc2nc(-c3cccnc3)ccc2-c2nc(C)nc(N)n2)cc1F,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)N3c4ccccc4CC3C)n2CC)cc1,1,0,0,0
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(=O)c2ccccc2)CC1,1,0,0,0
c1ccc(-c2ccc(-c3cnc(-c4ccccc4)[nH]3)cn2)cc1,0,0,0,0
COc1ccc(N2CCN(C3CCCN(S(=O)(=O)c4ccccc4)C3)CC2)cc1,1,0,0,0
CCn1c(SCc2cccc(OC)c2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F,0,0,0,0
O=C(CN1CCN(S(=O)(=O)N2CCCCCC2)CC1)Nc1ccc(Br)cc1,1,0,0,0
NC(=O)c1nnc(N[C@@H]2CCCC[C@@H]2N)nc1Nc1cccc2c1ccn2C1COC1,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)CCC(=O)N(C)C)C1,1,0,0,0
Cc1ccc(-c2csc3ncnc(NCCN4CCOCC4)c23)cc1,0,0,0,0
COc1cc(O)c2c(c1)/C=C/C[C@@H]1OC(C)(C)O[C@@H]1C(=O)/C=C\C[C@H](C)OC2=O,0,0,0,0
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(C)nc1OCCOC(=O)c1cccnc1,0,0,0,0
CC(C)Cn1c(=O)c(C(=O)Nc2ccncc2)c(O)c2ccccc21,1,0,0,0
C[C@]1(CS(=O)(=O)N2CCC(Oc3ccc(OCc4ccncc4)cc3)CC2)NC(=O)NC1=O,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1cccc(O)c1,0,0,0,0
CCOc1ccc(CNC(=S)N/N=C/c2ccc(OC)c(OC)c2)cc1,0,0,0,0
COCCOc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1,0,0,0,0
CS(=O)(=O)N1CCC(CN(c2nc3cc(Cl)c(F)cc3[nH]2)[C@@H]2CC[C@]3(c4cccc(C#N)c4)C[C@@H]3C2)CC1,0,0,0,0
CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1,1,0,0,0
COc1ccc(-c2cc3nc(C)c(CCC(=O)NC(C)c4ccccc4)c(C)n3n2)c(OC)c1,1,0,0,0
Cc1noc(NS(=O)(=O)c2cccc(OCCO)c2-c2ccc(CC(C)C)cc2)c1C,0,0,0,0
NCC1(c2ccc(-c3c(O)cc(Cl)c4[nH]c(=O)c5sccc5c34)cc2)CC1,0,0,0,0
CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc3ccccc3n2)c(=O)n(C)c1=O,1,0,0,0
COCc1cc(C)nc2sc(C(=O)Nc3ccccc3OC)c(N)c12,0,1,0,0
O=S(=O)(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2,0,0,0,0
CCN(C(=O)c1cc2c(=O)[nH]c3ccc(C)cc3c2s1)c1ccc(F)cc1,1,0,0,0
Cc1ccc(Cc2cnc(SCCCCCCCCc3ccccc3)[nH]c2=O)cn1,0,0,0,0
C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C,0,1,0,0
COc1ccc(OC)c(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)c1,1,0,0,0
CCC(CC)CSc1cnc(NC(C)=O)s1,0,0,0,0
CC(C)CC(=O)Nc1nnn(C)n1,0,0,0,0
C[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)C(c2ccc(Cl)cc2)N([C@@H](CNS(=O)(=O)Cc2ccccn2)C2CC2)C1=O,0,0,0,0
C=C(CC1(C(=O)OC)CC2(CC=C(C)C)C(=O)C(=C(O)CC(C)C)C(=O)C(CC=C(C)C)(C1)C2=O)C(=O)OC,1,0,0,0
COc1cc2c(cc1OCCn1ccnc1)-c1[nH]nc(-c3ccc(-c4ccc(O)cc4)cc3)c1C2,0,0,0,0
CC1CCCCN1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1c(F)cccc1Cl,0,0,0,0
Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccs2)cc1,0,0,0,0
CC(C(=O)O)c1ccc2c(c1)N(CCCN1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1CO2,0,0,0,0
Cc1cncn1CCCNC(=S)Nc1ccc2cccnc2c1,0,0,0,0
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc2ccc(N=C(N)N)cc2)C(=O)NCC(=O)N(C)CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)C(=O)N2CCC[C@H]2C(=O)N[C@H](C(N)=O)CSSC1(C)C,0,0,0,0
CCCCCCC(C)(C)c1cc(OC)c([C@]2(O)CCC[C@@H](C)C2)c(OC)c1,0,0,0,0
CCc1cc(C#N)ccc1N1CCc2c(-n3ccc(-c4nccs4)n3)ccnc21,0,0,0,0
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(-c3csc(C)n3)s2)cc1,0,0,0,0
O=c1cc(OCc2ccccc2)ccn1-c1ccc2c(cnn2CCN2CCOCC2)c1,0,0,0,0
CC(C)CN1CCN(Cc2ccc(C(F)(F)F)cc2)CC1CCO,0,0,0,0
Nc1nc(C(F)(F)F)cc(=O)n1N=Cc1ccc2ccccc2c1,1,0,0,0
Cn1c2c(c3ccc(-n4ccc(-c5ccc(C(F)(F)F)nn5)cc4=O)cc31)CNCCC2,0,0,0,0
C/C(=N/OC(=O)c1ccc(C)cc1)c1cccs1,0,1,0,0
CC(=O)/C(=N\Nc1cccc(Cl)c1)Sc1cccc2cccnc12,1,0,0,0
CCN(CC)c1sc(S(=O)(=O)c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
O=C(O)CNC(=O)c1nc(-c2cccnc2)c2c(cc(-c3ccccc3)c(=O)n2Cc2ccccc2)c1O,0,0,0,0
COc1ccc(OC)c(CN2CCN(CCc3ccccc3)C(CCO)C2)c1,0,0,0,0
Cc1ccc(C)c(N2CCN(c3ccc(N4C(=O)COCC4=O)cc3[N+](=O)[O-])CC2)c1,0,0,0,0
COc1ccc(C2=NN(c3nc(-c4ccc(CNC(C)=O)cc4)cs3)C(c3ccco3)C2)cc1,1,0,0,0
Cc1ccc(OCCCCn2ccnc2C)c(C)c1,0,0,0,0
FC(F)(F)c1cccc(-n2nnc3ccc(NCC4CCNCC4)nc32)c1,0,0,0,0
COc1ccc2c(CN3CCN(c4cccc(Cl)c4)CC3)cn(CCNC(C)=O)c2n1,0,0,0,0
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C)CC2)c2ccccc2)cc1,1,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc3nc(SCc4ccc(F)cc4)n(C)c3c2)CC1,1,0,0,0
COC(=O)c1c(N2C(=O)Nc3ccccc3N2O)sc2c1CCCC2,0,0,0,0
CCn1c(Oc2cccc(Br)c2)nc2c1c(=O)n(C)c(=O)n2C,0,0,0,0
COc1ccc(C(=O)c2c(O)cc(-c3ccc(OC)cc3)oc2=O)cc1,0,1,0,0
C[C@@H]1CN(CC#N)CCN1c1cc2nc(SC(C)(C)C)[nH]c2cc1Cl,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12,0,0,1,0
CCC#CCOc1cc(COC2CCCC2)ccc1Sc1ccc(OCC(=O)O)c2c1CCCC2,0,0,0,0
ClC1C=CCCC1,0,0,1,0
CN1CCC(O)(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1,0,0,0,0
CCC(C)N(C(=O)COc1ccc(Cl)c2cccnc12)C1CCS(=O)(=O)C1,1,0,0,0
COc1ccc(C)cc1NC(=O)c1ccc(NC(=O)CC2SC(N3CCCC3)=NC2=O)cc1,1,0,0,0
CC(c1cccc(C(F)(F)F)c1)N1C(=O)CSc2cccnc21,0,0,0,0
COc1ccc(-c2csc(N3CCN(S(=O)(=O)c4ccc5c(c4)NC(=O)CO5)CC3)n2)cc1,0,0,0,0
CCOc1c(F)cccc1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC12CCC3C(CCC4CC(=O)CCC43C)C1CCC2O,0,0,0,0
CC(=O)N1CCN=C1SCc1cccc(C(F)(F)F)c1,0,0,0,0
CC(CCc1ccccc1)NC(=O)CN(C)Cc1ccc(F)cc1,1,0,0,0
C=CCn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
N#Cc1ccccc1COC1C2CCN(CC2)C1C(c1ccccc1)c1ccccc1,0,0,0,0
O=C1C=C(NC2CCCCC2)CCC1,0,0,0,0
O=[N+]([O-])c1ccc(SC(=S)N2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1,0,0,1,0
CC(C)Cc1sc(Br)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
O=C1CCC[C@@H](C(=O)N[C@@H](CCCCCS)C(=O)NCc2ccc(C(F)(F)F)cc2)N1,0,0,0,1
Cc1cc2c(cc1S(=O)(=O)CCC(=O)NC1CCCCC1C)OCC(=O)N2,0,0,0,0
CCCCn1c(N)c(N(CC(C)C)C(=O)c2ccc3c(c2)NC(=O)C(C)S3)c(=O)[nH]c1=O,0,0,0,0
CCCCC1=CC2=C(c3ccco3)C(=O)C(C)(OC(=O)c3ccc(OC)cc3)C(=O)C2=CN1C(CO)CO,0,0,0,0
Cn1cccc1C(=O)NC(=O)CSc1nc2ccccc2s1,1,0,0,0
Clc1ccc2nc(-c3ccc(N4CCOCC4)cc3)c(NC3CCCCC3)n2c1,0,0,0,0
CC(C)OC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12,0,0,0,0
CCOC(=O)C1(CCOC)CCN(C(=O)c2ccc(CSC)o2)CC1,0,0,0,0
CC(C)c1ccc(N2C(=O)NC(=O)C(=Cc3cnc(-c4ccccc4)nc3)C2=O)cc1,0,0,0,0
CC(C)c1ccc(NC(=O)c2cnc3sc(N4CCOCC4)nn3c2=O)cc1,0,1,0,0
CC(=O)N1CCC2(CCCN(c3cccc(-c4ccccc4)c3)C2)CC1,1,0,0,0
CCC(CC)C1=NN2C(=N)/C(=C\c3cc(C)n(-c4cccc(C)c4)c3C)C(=O)N=C2S1,1,0,0,0
Cc1nc(S(C)(=O)=O)ccc1Oc1ncnc(OC2CCN(C(=O)C(C)(F)F)CC2)c1F,0,0,0,0
COc1ccc(OCC(O)CN2CCN(c3ncccn3)CC2)cc1,0,0,0,0
c1ccc(CN2CCc3c(ccnc3Nc3ccc4ncccc4c3)C2)cc1,0,0,0,0
CC(C)=Cc1ccc2[nH]nc(-c3cc(N4CCN(C)C(=O)C4)ncn3)c2c1,0,0,0,0
N[C@H](C(=O)N1CC[C@H](F)C1)[C@@H](C(=O)Nn1cnnn1)c1ccc(-c2ccc(F)cc2)cc1,0,0,0,0
CCCc1cc(=O)n2c([nH]c3ccccc32)c1C#N,1,1,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(C(F)(F)F)cc2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
CC(C)Cc1cc(C(=O)NCc2ccco2)no1,0,1,0,0
C=CC(=O)Nc1cccc(N2C(=O)N(C3CC3)Cc3cnc(Nc4ccc(N5CCN(C)CC5)cc4OC)nc32)c1,0,0,1,0
COc1ccc2[nH]c(C)c(CN3CCC(C)CC3)c(=O)c2c1,0,0,0,0
Cc1cc(C#N)cnc1-c1cc(N2CCC(NS(C)(=O)=O)CC2)ncc1Cl,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)C(C)N(C(=O)C(F)F)CC2,0,0,0,0
Brc1cc2ncnc(Nc3ccc4[nH]ccc4c3)c2s1,0,0,0,0
N#Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc1F,0,0,0,0
CCOC(=O)c1cccc(NC(=O)c2cnc3ccccc3n2)c1,1,1,0,0
COc1cnc2ccc(=O)n(CCN3CCC(c4nc5ccc(Cl)cc5[nH]4)CC3)c2c1,0,0,0,0
[N-]=[N+]=NCCCCn1c2ccccc2c2ccc3c(C=O)c[nH]c3c21,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(CC(=O)Nc3cc(OC)cc(OC)c3)CC2)cc1,1,0,0,0
CN1CCN(CCS(=O)(=O)Nc2ccc(/C=C3\Oc4c(C(N)=O)cccc4C3=O)cc2)CC1,0,0,0,0
Cc1ccc(NC(=O)Cn2ncc(F)cc2=O)cc1S(=O)(=O)NCCc1ccccn1,0,0,1,0
COc1ccc(OC)c(N(C)S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1,0,0,0,0
OCCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
C=CC(=O)Nc1cnc2onc(C)c2c1,0,0,1,0
COc1ccc(CC(=O)NCCS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC,1,0,0,0
O=C(COC(=O)c1ccccc1)NC12CC3CC(CC(C3)C1)C2,0,1,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccc(N(C)C)cc2)c(-c2ccccc2)nn1CC(=O)O,0,0,0,0
O=C1CN(Cc2ccc3c(c2)-c2n[nH]c(=O)c4cccc(c24)O3)CCN1,0,0,0,0
CN(C)NC(=O)Nc1cccc2c1C(=O)c1c(-c3csc(Cl)c3)n[nH]c1-2,0,0,0,0
COc1ccccc1CCNS(=O)(=O)c1ccc(N2CCCCS2(=O)=O)cc1,0,0,0,0
Cc1ccc(C(C)C)cc1N1CCc2nc(-c3c(C)ccc4n[nH]c(C)c34)nc(N3CCCC[C@@H]3C)c2C1,0,0,0,0
CC(=O)c1cc(-c2cccc3nccn23)c2cc(N3CCN(C)CC3)ccn12,0,0,0,0
Cc1nn2c(-c3cccc(NC(=O)c4ccco4)c3)nnc2c2ccccc12,1,0,0,0
Cc1c(Cl)cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
Cn1c(=O)c2c(nc(CN3CCC(C(N)=O)CC3)n2Cc2ccccc2F)n(C)c1=O,1,0,0,0
CN(CCO)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
O=[N+]([O-])c1ccc2c(c1)N(O)C1(CCCCC1)[N+]2=O,0,0,0,0
CN(c1ccc(OCC(=O)OCC(=O)Nc2ccc(Br)cc2)cc1)S(=O)(=O)c1cccs1,1,0,0,0
CC1c2ccccc2CN1CC1=NCCN1,0,0,0,0
CSCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)NC(=O)COCC(=O)Nc2ccc(CCC(=O)N3CCC3=O)cc2)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N1)C(C)C)C(N)=O,0,0,0,0
COc1ccc(-c2cnc(-c3ccc(S(=O)(=O)NC(CCC(=O)O)C(=O)O)cc3)s2)cc1,0,0,0,0
CCCOc1ccc(S(=O)(=O)N2CCN(CP(=O)(O)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1,0,0,0,0
COc1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc(C)cc3)cc2N)cc1,1,0,0,0
CC(=O)c1c(O)c2ccccc2n(Cc2ccccc2)c1=O,0,0,0,0
CC(c1ccc(C(C)(C)C)cc1)N1CCc2cc(S(=O)(=O)Nc3ccc(OCCCc4ccccc4)cc3F)ccc2C1,0,0,0,0
Cc1cc(=O)nc(SCc2nnc(-c3ccccc3)o2)[nH]1,0,0,0,0
O=C1NC(=NC23CC4CC(CC(C4)C2)C3)OC12CCOCC2,0,0,0,0
NNC(=O)CN1C(=O)Nc2ccc(Cl)cc2C1c1ccccc1,0,0,0,0
COc1ccc(C(=O)Nc2ccc3ccccc3n2)c(OC)c1OC,0,1,0,0
O=C1CC(N2CC=C(c3ccccc3)CC2)C(=O)N1c1ccc(F)cc1,1,0,0,0
Cn1cc(CCNC(=O)CC2C(=O)NCCN2CC(c2ccccc2)c2ccccc2)cn1,1,0,0,0
Cc1cccc(NC(=S)N(CCN2CCOCC2)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1,0,0,0,0
Cc1cc(C)c2nc(SCC(=O)Nc3ccc(S(=O)(=O)N4CCCC4)cc3)c(C)cc2c1,1,0,0,0
CCN(CC)S(=O)(=O)c1ccc(C(=O)OC2CCCCC2CN(C)C)cc1,0,0,0,0
COc1cc(S(=O)(=O)c2cccc([C@H](C)O)c2)cc2c3c(oc12)CCNC3,0,0,0,0
CCOC(=O)c1oc2nc(CC(C)C)c3c(c2c1N)CCCC3,1,0,0,0
Cc1nc(N)nc(-c2cc(C3CCOCC3)cnc2Nc2cnc(Cl)c(NS(C)(=O)=O)c2)n1,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(C=O)cc2)n1,0,0,0,0
Cc1cccnc1NC(=O)Nc1ccccc1,0,1,0,0
NCC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1,0,0,0,0
O=C(Nc1ccccc1)c1cccc2c(=O)c3c([nH]c12)CCCC3,1,0,0,0
CC(=O)Nc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2-n2cccc2)cc1,1,0,0,0
C=CC(=O)Nc1cccc(-n2c(-c3nc(-c4cnn(CCN5CCN(C)CC5)c4)cnc3N)nc3ccccc32)c1,0,0,1,0
CCS(=O)(=O)Nc1ccc(OC2CCOCC2)c(-c2cn(C)c(=O)c3[nH]ccc23)c1,0,0,0,0
COc1cccc(C2=NN(C(=O)c3ccc(C)o3)C(O)(C(F)(F)F)C2)c1,0,0,0,0
COc1ccc(N/C(=N/P(=O)(N2CCOCC2)N2CCOCC2)N2CCOCC2)cc1,0,0,0,0
O=C(O[C@H]1CN2CCC1CC2)N(Cc1cccs1)Cc1cccs1,0,0,0,0
CC(C)Oc1ccc(-c2nc(-c3ccc4c(c3)CN(CCCC(=O)O)CCO4)no2)cc1C#N,0,0,0,0
COc1ccccc1Oc1c(NS(=O)(=O)NCc2ccccc2)nc(C2CC2)nc1OCCOc1ncc(Br)cn1,0,0,0,0
CSc1nc(Nc2ccc3nc(C)ccc3c2)nc(Nc2ccc3nc(C)cc(N)c3c2)n1,0,0,0,0
CCOC(=O)CCCN1CCC(CCCn2c(COc3ccc(Cl)cc3)nc3c(C)cccc32)CC1,0,0,0,0
N#Cc1ccc(NC(=O)N2CCCc3cc(Cl)c(C=O)nc32)nc1,0,0,1,0
CN(Cc1ccccc1)Cc1c(-c2ccc(NC3=NCCN3)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCCCN(C)C)cc1,0,0,0,0
CCOC(=O)C(Cl)=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
CC(C)C(C)(C#N)NC(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
CNC(=O)N(C1=NCC(C)(C)S1)c1ccc(F)c(Cl)c1,1,0,0,0
CN[C@@H](C)C(=O)N[C@H](C(=O)N[C@H]1CCCN(CCc2ccncc2)C1)C(C)(C)C,0,0,0,0
O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccncc1,0,0,0,0
CCOCC(=O)Nc1c(C(=O)N2CCN(c3ncccn3)CC2)oc2ccccc12,0,0,0,0
Clc1ncc(N2CCNCC2)cc1Br,0,0,0,0
CC(C)CS(=O)(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
COc1ccc2c(c1)Cc1ccn(CC(C)N)c1-2,0,0,0,0
O=C(CSc1ncnc2ccccc12)Nc1ccc2c(c1)OCCO2,0,1,0,0
CCCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCN(C)C)nc2c(=O)[nH]1,0,0,0,0
COc1ccc2ccccc2c1-c1csc(N)n1,0,0,0,0
CCc1cc2c(NCC3CCCO3)ncnc2s1,0,0,0,0
CCOC(=O)c1csc(NC(C)=O)n1,0,0,0,0
N#Cc1cccc(-c2ncccc2CNP(=O)(c2ccccc2)c2ccccc2)c1,0,0,0,0
O=C(c1nn(-c2cccc(Cl)c2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
COc1ccc(-c2noc(CSc3nc(-c4ccccc4)cc(=O)[nH]3)n2)cc1,0,0,0,0
CC(Nc1nc(Nc2cn(C)cn2)c2ccc(Cl)nc2n1)c1ncc(F)cn1,0,0,0,0
COc1ccc2cc(C(=O)C3CCCN(C(=O)C4=NN(C)C(=O)CC4)C3)ccc2c1,1,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(C(=O)O)cc3)c(O)c2n(CCC)c1=O,0,0,0,0
CCOc1ccc(CNC(=S)N/N=C\c2ccc([N+](=O)[O-])cc2)cc1,1,0,0,0
COc1cc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(N(C)C)o2)cc(OC)c1OC,1,0,0,0
CSc1oc(-c2ccccc2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(O)c1c(Cl)cccc1-2,0,0,0,0
COCCn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O,0,0,0,0
CNC(=O)c1sccc1SCc1ccc(Cl)cc1Cl,0,0,0,0
CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(N2CCCC2)c2sccc23)cc1,0,0,0,0
CCCCc1nc2cc(C(=O)N3CCN(c4nc(C)cnc4C)CC3)ccc2o1,1,1,0,0
Cc1cnc(-c2cc(N3CCC(NC(=O)CCS(C)(=O)=O)CC3)ncc2Cl)c(C)c1,0,0,0,0
NC(=O)c1sc2nc(-c3cccnc3)ccc2c1N,0,0,0,0
Cc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)c(C)c1,0,0,0,0
O=C1Cc2ccccc2C2(CCN(C(=O)N[C@H](Cc3csc4ccccc34)C(=O)N3CCC(N4CCCCC4)CC3)CC2)N1,0,0,0,0
O=C(NCCCN1CCCCCC1)c1ccc2c(Cl)c3c(nc2c1)CCCC3,1,0,0,0
CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)ccc1OCc1ccc(Cl)cc1,0,0,0,0
FC(F)(F)c1ccc(Cl)c(NC(=S)NN=Cc2ccccc2Cl)c1,0,0,0,0
Cc1ccc(NC(=O)C2COc3ccccc3O2)cc1,0,1,0,0
CCCCCC(=O)Nc1nnn(CCC)n1,0,0,0,0
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1CC1=C(c2cc(-c3ccc(C(=O)O)cc3Cl)ccc2F)CCC(C)(C)C1,0,0,0,0
Cc1ccc2c(c1)C1(CCN(CCc3nc(-c4ccccc4)oc3C)CC1)OC(=O)N2,0,0,0,0
Nc1nc(N)c2ccc(-c3ccccc3)cc2n1,0,0,0,0
Cc1ccnc(C(=O)c2[nH]c3cc(F)ccc3c2CC(=O)O)c1,0,0,0,0
Cc1ccccc1OCC(=O)OCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl,1,0,0,0
NCCCC(N)CC(=O)NC1CNC(=O)C(C2CC(O)N=C(N)N2)NC(=O)C(C=NC(N)=O)NC(=O)C(CO)NC(=O)C(CO)NC1=O,0,0,0,0
CC(C)n1c(NCc2cccs2)nc2ccccc21,0,0,0,0
C=CC(=O)N1CC(C2CCNc3c(C(N)=O)c(-c4ccc(Cl)cc4)nn32)C1,0,0,0,0
CNC(=O)c1cccc(Nc2nccc(N3CC(Oc4ccc(F)cc4Cl)C3)n2)c1,0,0,0,0
CCCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1cc(OC)c(OC)c(OC)c1,0,0,0,0
CCOC(=O)c1ccc(Nc2nc3ccccc3n3c(C)nnc23)cc1,0,0,0,0
CCCC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
O=C(CO)Nc1cnc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1,0,0,0,0
Cc1cc(NC(=O)c2ccc(COc3ccc(Cl)c(C)c3)o2)no1,1,0,0,0
O=C1N/C(=N/N=C/c2ccccc2)SC1(c1ccccc1)c1ccccc1,1,0,0,0
CCn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
OC(COc1cccc(-c2ccccc2)c1)CN1CCc2ccccc2C1,0,0,0,0
CCOc1ccccc1Oc1coc2cc(OCC(=O)O)ccc2c1=O,0,0,0,0
Nc1cccc(-n2ccccc2=O)c1,0,0,0,0
COc1ccc(S(=O)(=O)NCC(CCCCCC(=O)O)c2cccnc2)cc1,0,0,0,0
CC1OC2OC3C(OCC(O)C3O)OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CC(O)C(OC7OC(CO)C(O)C(O)C7OC7OCC(OC(=O)CC(C)(O)CC(=O)OC1C(OC1OCC(O)C(O)C1O)C2O)C(O)C7O)C(C)(CO)C6CCC5(C)C3(C)CC4,0,0,0,0
COc1ccc(-c2c[nH]cc(C(=O)Nc3ccc4c(c3)NC(=O)/C4=C\c3[nH]c(C)c(C(=O)O)c3C)c2=O)cc1,0,0,0,0
NS(=O)(=O)c1ccc2nc3n(c2c1)N=S=C3Sc1ccccc1,0,0,0,0
Cc1cc(I)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
COc1cc(OC)c(-c2cnc3[nH]c(-c4c(F)cccc4Cl)cc3c2)cn1,0,0,0,0
NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1,0,0,0,0
O=C(NCCCc1ccccc1)C1CCC(=O)N(CCc2ccc(Cl)cc2)C1,1,0,0,0
Cc1ccc(CNC(=O)Cc2cn(C)c3ccccc23)cc1,0,1,0,0
COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)C1c1ccc(C(=O)OC)cc1,0,0,0,0
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OCC(C)C)C[C@@H]2C(=O)NO)cc1,0,0,0,1
Cc1nc(N2CCN(C)CC2)c2nc(-c3cccc(Cl)c3)n(C3CCOCC3)c2n1,0,0,0,0
Cc1ccc2[nH]c(=O)c(CN(C)S(=O)(=O)c3cccc4nonc34)cc2c1,0,0,0,0
O=C(CCCCc1cccn1Cc1cccc(-c2ccccc2)c1)NO,0,0,0,0
Cc1cc(=O)nc(SCc2nc3ccccc3c(=O)n2-c2ccccc2C)[nH]1,0,0,0,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3OCC)nc12,0,0,0,0
O=C(NCCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1,0,0,1,0
CSc1nc(Nc2ccc3nc(C)cc(N)c3c2)nc(Nc2ccc3nc(C)cc(N)c3c2)n1,0,0,0,0
Cn1c(CO)cnc1SCc1c(Cl)cccc1Cl,0,0,0,0
O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1ccc(C(=O)c2c(O)cccc2C(=O)O)cc1)c1ccc(O)cc1,0,0,0,1
NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)c(Cl)c1,0,0,0,0
O=C1NC(=O)C(=Cc2ccc(OCCCCc3ccccc3)c(Cl)c2)S1,0,0,0,0
C[C@H](O)c1cccc(S(=O)(=O)c2cc(Cl)c3oc4c(c3c2)CNCC4)c1,0,0,0,0
Cn1c(-c2ccc(O)cc2F)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1F,0,0,0,0
COCCNC(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1,1,0,0,0
Nc1nc(N)c([N+](=O)[O-])c(OCc2cc(Br)cs2)n1,0,0,0,0
CCSC(=S)SCC(=O)c1ccc(NC(=O)c2cccnc2)cc1,0,0,0,1
O=c1c2ncn3nc(-c4ccccc4)cc3c2c(-c2cccs2)nn1Cc1ccccc1,0,0,0,0
CC(C)NC(=O)C(CSCc1ccccc1)N1Cc2ccccc2C1=O,0,0,0,0
Cc1cc(C2=NN/C(=N/C3CC3)SC2)c(C)n1Cc1ccco1,1,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(-c5ccc(F)cc5)ccc4c3=O)cn2)C1,0,0,0,0
O=C(CN1CCN(c2ccc(O)cc2)CC1)Nc1ccc(SC(F)F)cc1,1,0,0,0
COc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1,0,0,0,0
COc1ccc2[nH]c(-c3ccc(F)cc3F)cc(=O)c2c1,0,0,0,0
CC(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(OCC(N)=O)ccc2c1=O,0,0,0,0
NS(=O)(=O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
COC(=O)c1cc(/C=C/c2ccccc2)[nH]n1,0,1,0,0
CCOC(=O)CN1C(=O)C(CC)Oc2ccccc21,0,0,0,0
CC(C)CCN1CCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)CC1,0,0,0,0
CCn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2Cc1ccccc1,0,0,0,0
COc1cc2[nH]c(-c3ccc(C)cc3)cc(=O)c2cc1OC,0,1,0,0
O=C(OCCCN1CCC(c2ccccc2)CC1)C1(c2ccc(I)cc2)CCCC1,0,0,0,0
COc1cc(Nc2nccc(Nc3cc(C4CC4)[nH]n3)n2)cc(OC)c1,0,0,0,0
CN([C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1)C(C)(C)C,0,0,0,0
C[C@H](Nc1ncnc(NCCOc2ccccc2)n1)c1ccccc1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1N[C@H]1CCNC1,0,0,0,0
CCNc1nc(Nc2cc3c(cc2OC)C(=O)N(CC(C)(C)O)C3)ncc1C(F)(F)F,0,0,0,0
CCOC(=O)COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1,0,0,0,0
Cc1cccc(OCCSc2nc3c(N)ncn(Cc4ccccc4)c-3n2)c1,0,0,0,0
CN(C)CCN(C)Cc1cccc2c1-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
[C-]#[N+]c1cnc2c(NCC)nc(Nc3cc(C#N)cc(N4CC[C@H](NC(=O)OC)[C@@H](O)C4)c3Cl)nn12,0,0,0,0
COCCCNC(=O)C1N2C(=O)c3ccccc3C2SC1(C)C,0,0,0,0
COc1ccc(C=C2C(=O)ON=C2C)cc1Cl,0,0,0,0
CC(=Cc1ccccc1)C=C1SC(=S)N(C(C(=O)O)C(C)C)C1=O,0,0,0,0
O=c1c2cc(NC(=S)NCc3cccnc3)ccc2nc2n1CCCCC2,0,0,0,0
CCCCNC(=O)C(C)(C)c1cn2cc(-c3csc4ccccc34)nc(CCCN)c2n1,0,0,0,0
Cc1cc(N2C[C@@H]3CCN(C(=O)c4cc(F)ccc4-n4nccn4)C[C@@H]32)nc(N)n1,0,0,0,0
NC(=N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12)C(F)(F)F,0,0,0,0
COc1ccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)cc1,0,0,0,0
O=C1C(c2ccc(Cl)c(Cl)c2)=CCN1c1ccc(N2CCCC2)c(OCCN2CCCCC2)c1,0,0,0,0
CNc1ncc2ncnc(Nc3ccccc3)c2n1,0,0,0,0
COc1ccccc1N1CCN(CCCCCCOc2ccc(F)cc2)CC1,0,0,0,0
CCc1cc2c(N3CCN(C(=O)C(C)C)CC3)nc(NC(=O)NCCC(=O)O)nc2s1,0,0,0,0
CN1C(=O)c2c(sc3c2CC(C)(C)SC3)N2CCN=C12,1,0,0,0
OCC(O)[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,0,0,0,1
CC#CC(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CCCCCNC(=O)c1cccc(OCCCCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,0,0,0,0
O=C(COc1ccc2oc3c(c2c1)CCCC3)Nc1cccc(Br)c1,1,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(C(C)OC)cc3)oc2c1,0,0,0,0
CC(C)CC(Nc1cnc2ccccc2c1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
CCOc1cc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc(OCC)c1OCC,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(N)c2)c1,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccc(Cl)cc12,0,0,1,0
Cc1c(OCc2ccc(C(=O)O)o2)ccc2c3c(c(=O)oc12)CCC3,0,1,0,0
CCS(=O)(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
O=C(CSc1nccn1-c1ccccc1)Nc1nc2ccccc2s1,0,1,0,0
CC(C)(C)c1ccc(C(=O)N2CCN(CCNC(=O)C(=O)NCc3ccc(Cl)cc3)CC2)cc1,1,0,0,0
Fc1ccc(-c2csc(N3CCC(c4ccccc4)C3)n2)cc1,0,1,0,0
S=C(Nc1ccccc1)N1N=C(c2cccs2)CC1c1cccs1,0,0,0,0
Cc1ccc(CC2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1,0,0,0,0
CC(=O)c1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2,0,0,0,1
Cc1cccnc1-c1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CC(C)n1cnc2c(NCc3ccc4c(c3)OCO4)nc(N(CCO)CCO)nc21,0,0,0,0
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4ccccc4-c4nc(C)no4)C[C@@H]32)n1,0,0,0,0
Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1,0,1,0,0
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C(=O)N(C)C)ns2)n1,0,0,0,0
CCOC(=O)Cc1csc(NC(=O)COc2ccc3c(c2)CCC3)n1,0,1,0,0
COC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1,1,0,0,0
CCC(C)Sc1cc(-c2nc3ccc(Cl)cn3c2NC2CCCCC2)ccc1OC,0,0,0,0
COc1cc(N2CCN(C)CC2)ccc1Nc1ncc(Cl)c(Oc2cccc(NC(=O)/C(=C/c3ccc(F)cc3)C(F)(F)F)c2)n1,0,0,1,0
CCCSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1,1,0,0,0
COc1ccc(-c2nnnn2C)cc1CN[C@H]1CCCN[C@H]1c1ccccc1,0,0,0,0
CC(=O)Nc1nc(C)c(Oc2ccc(Cl)cc2Cl)c(=O)[nH]1,0,0,0,0
CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccc6cnsc56)cc34)cn2)CC1,0,0,0,0
Cc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)o1,0,1,0,0
CC1(C)CCc2cc(-c3ccnc(=S)[nH]3)ccc2O1,0,1,0,0
COc1ccc2c(c1)C(O)(CNCC1CCN(CCNS(=O)(=O)c3cccc(Cl)c3C)CC1)CCC2,0,0,0,0
COc1cccc(S(=O)(=O)N(Cc2ccc(N3CCN(C(C)=O)CC3)cc2F)C2CCC2)c1,0,0,0,0
CN(C)c1nc(C2(c3ccc(-c4cnc(N)nc4)nc3)CCC2)no1,0,0,0,0
CCC(=O)N1N=C(c2ccc(Cl)cc2)CC1c1ccco1,1,0,0,0
CCCS(=O)(=O)Nc1cc(Cl)cc(-c2nc(C(C)(C)C)[nH]c2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1,0,0,0,0
CC(C)(C)C1C=C(Sc2ccccc2)C(=O)O1,0,0,0,0
CC(C)(C)C(=O)Nc1cc(-c2cccc(Br)c2)nn1-c1ccccc1,0,0,0,0
Cc1ccc(NC(=O)c2ncn[nH]2)cc1,0,1,0,0
CC(=O)Oc1ccc(C2c3cc4c(cc3N=C3CC(C)(C)CC(=O)C32)OCCO4)cc1,0,0,0,0
COC(=O)CC1(O)C(=O)Nc2ccccc21,0,0,1,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ccc3cc(C#N)cnc32)cc1Nc1ccc2[nH]ncc2c1,0,0,0,0
CCCCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0,0,0
O=C(CSc1nc2cc(S(=O)(=O)N3CCOCC3)ccc2o1)NC1CCCc2ccccc21,1,0,0,0
CCCCCC1CN(C2CCCCC2)C(=O)C1CC(=O)NCc1ccc(OC)cc1,1,0,0,0
O=c1[nH]c2ccccc2c2nc(-c3ccccc3)nn12,0,0,0,1
C=CC(=O)Nc1cc(N)nc(Sc2c(OC)nc(N3CCCCC3)nc2OC)n1,0,0,1,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Cl)cc3)c12,0,0,0,0
CCC(=NOC(=O)c1cccc(C)c1)C(=O)c1cccs1,0,0,0,0
Cc1ccc(S(=O)(=O)N=C(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2)cc1,0,0,0,0
CC(C)NC(=O)c1cc2n(n1)C(C(F)(F)F)CC(c1ccco1)N2,0,0,0,0
O=c1[nH]c2cc3c(cc2cc1C(c1nnnn1Cc1ccccc1)N1CCN2CCCC2C1)OCCO3,1,0,0,0
CCNC(=S)NN=C(C)c1ccc(N2CCOCC2)cc1,0,0,0,0
COc1ccc2c(c1)CCN(c1noc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n1)C2,0,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,1,0
Nc1cc(OC(=O)c2ccc([N+](=O)[O-])cc2)nn1S(=O)(=O)c1ccc(C(F)(F)F)cc1,0,0,1,0
Cc1cccc(N2CCN(C(=O)CCS(=O)(=O)c3ccc4c(c3)CC(=O)N4C)CC2C)c1,0,0,0,0
Cc1ccc(S(=O)(=O)NN2C(=O)c3ccccc3NC2c2ccccn2)cc1,0,0,0,0
CCc1cccc(CC)c1-n1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cccnc1,1,0,0,0
N=C(N)c1ccc(Oc2cc(NC(=O)C3CCN(C(=O)CCN)CC3)cc(Oc3ccc(C(=N)N)cc3)c2)cc1,0,0,0,1
CN1CCN(c2ccnc(-c3ccsc3)c2)CC1,0,0,0,0
Cn1c(Nc2cccc(C(C)(C)C)c2)nc2cc(Oc3ccnc(-c4ncc[nH]4)c3)ccc21,0,0,0,1
CC1C/C(=N/Nc2nc3ccccc3[nH]2)CC(C)(C)C1,0,0,0,0
O=C(O)CCc1ccc(NCc2cccc(Br)c2)cc1,0,0,0,0
Nc1nc(N)c2nc(CN(CCCCCC(=O)O)c3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)cnc2n1,0,0,0,0
O=C(O)C1C(C(=O)O)C1(c1ccccc1)c1ccccc1,0,0,0,0
N#CC(=Cc1ccc(N2CCOCC2)o1)C(=O)NCC1CCCO1,1,0,0,0
Cc1c(-c2ccccc2)n(-c2ccccc2O)c2nc3c(c(=O)n(C)c(=O)n3C)n12,0,0,0,0
COc1ccc2c(c1)C(NC(C)=O)C(=O)N2C,0,0,0,0
Cc1ccc2nc(SCC(=O)O)nc(C)c2c1,0,0,0,0
Cn1cc(Nc2ncc(Cl)c(NC3CN(C(=O)CC#N)CC34CCCC4)n2)cn1,0,0,0,0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H](CC(=O)N2CC=C(c3ccc(Cl)cc3)CC2)C(=O)N1,0,0,0,0
C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(Cl)cc2)C1=O,0,0,0,0
COc1cc(-c2cnn(CCO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CCOC(=O)C1=C(CN2CCN(C)CC2)NC(=O)NC1c1ccc(F)cc1,0,0,0,0
Cc1ccnc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c1,0,1,0,0
COc1cc2ncn(-c3cc(OCc4sccc4Cl)c(C(N)=O)s3)c2cc1OC,0,0,0,0
NC1CONC1=O,0,0,0,0
O=C1NCCN1CCNc1nc(-c2ccc(Oc3ccc(F)cc3)cc2)c2ccccc2n1,0,0,0,0
Nc1nc2ncc(CNc3ccc(C(=O)N[C@@H](CCC(=O)NCCCCCCCC(=O)NO)C(=O)O)cc3)nc2c(=O)[nH]1,0,0,0,0
COc1ccc(NC(=O)CN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1,1,0,0,0
CC(C)C1(C)SC(=NCc2ccccc2)NC1=O,0,0,0,0
Nc1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
C[C@](N)(COP(=O)(O)O)C(=O)Nc1ccc(OCCc2ccc(-c3cccs3)cc2)cc1,0,0,0,0
CC(C)n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2cccc(Cl)c2c1=O,0,0,0,0
CC1C(=O)Nc2ccccc2N1C(=O)C1CC1,0,0,0,0
COc1ccc(/C=C2/C(=O)ON=C2C)cc1Br,0,0,0,0
CC(C)(C)S(=O)(=O)N(C[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1)C(F)F,0,0,0,0
COc1cc2c(cc1OC)C(c1ccc(F)cc1)N(c1ccc(F)cc1)C(=O)C2,0,0,0,0
O=C1OC(c2ccccc2)=NC1=CNCc1ccncc1,0,0,0,0
O=C(NCCc1ccccc1)c1cccc(N2CCCC2=O)c1,0,1,0,0
O=c1ccc2c(OCCCCSc3ncccn3)c3ccoc3cc2o1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3c(F)ccc(F)c3F)nncc2c1-c1ccccc1F,0,0,0,0
Cc1ccccc1CSc1nc(=O)c2ccccc2[nH]1,1,0,0,0
COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1cccc(Cl)c1,0,0,0,0
Nc1nnc(CCOc2ccccc2Cl)s1,0,0,0,0
O=c1c2c([nH]c3ccccc13)CCCCC2,0,0,0,0
COC12C(COC(N)=O)C3=C(C(=O)C(C)=C(N)C3=O)N1CC1C2N1C,0,0,0,0
O=C1[C@H]2O[C@@]34CC[C@@]5(OCOc6c(O)ccc7c6[C@@]3(CCN(CC3CC3)[C@@H]4C7)[C@H]25)N1Cc1ccccc1,0,0,0,0
Nc1ncnc2c1ncn2[C@H]1[C@H](O)[C@H](O)[C@@H](CO)[C@@H]1F,0,0,0,0
COc1cc(CNC(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
CCc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0,0,0
CCOc1ccc(C=NNC(=S)Nc2c(C)cccc2C)cc1,0,0,0,0
NS(=O)(=O)c1ccc(-c2ccc(C=C3NC(=S)NC3=O)o2)cc1,0,0,0,1
Cc1ccc(S(=O)(=O)n2nc(OC(=O)c3cccc(F)c3)cc2N)cc1,0,0,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)cc1,0,0,0,0
CCCCCCc1ccc(-c2csc(-c3ccc(S(=O)(=O)Nc4ccc(CCNC[C@H](O)c5cccnc5)cc4)cc3)n2)cc1,0,0,0,0
Cc1ccc(N=Cc2c(O)n(C)c(=O)n(C)c2=O)nc1,0,0,0,0
Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1,0,0,0,0
N#Cc1ccc(N2N=C(c3ccc(C(=O)O)cc3)CC2c2ccc(F)cc2)cc1,0,0,0,0
COc1ccc2cnc(Nc3ccccc3)nc2c1C(C)C,0,0,0,0
Cc1nc2ccccn2c1-c1ccc2cc(CCN3CCC[C@H]3C)ccc2n1,0,0,0,0
Cc1cccc(-c2n[nH]c(=S)n2C)c1,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2cccc(F)c2F)CC1,0,0,0,0
Clc1cncc(Cl)c1COc1ccc2[nH]nc(-c3nc4ccc(N5CCCCC5)cc4[nH]3)c2c1,0,0,0,0
Cc1[nH]nc2c1c(=O)[nH]c1cc3ccccc3cc12,0,0,0,0
COc1ccc(N2CC(NC(=O)C(c3ccccc3)c3ccccc3)CC2=O)cc1OC,1,0,0,0
S=C1NC2(CCS1)Oc1ccccc1C1CC(c3ccccc3)=NN12,0,1,0,0
CCOC(=O)C1=C(C)NC(=Cc2cccc(OC)c2O)C1=O,0,0,0,0
CC1CCc2c(sc(N=CN(C)C)c2C#N)C1,0,0,0,0
CC(C)=Cc1ccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c2c1,0,0,0,0
CCOC(=O)c1c(C)n(Cc2ccco2)c2ccc(O)cc12,0,0,0,0
Cc1ccc(NC(=O)CN2C(=O)SC(=CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1,1,0,0,0
CC1CCN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CC(=O)N3C)CC1,0,0,0,0
O=S(=O)(NC1CCC(NS(=O)(=O)c2c(F)cccc2F)CC1)c1ccc2c(c1)OCCO2,0,0,0,0
Cc1ccccc1-c1nnc(NC(=O)CSc2nc3ccccc3s2)s1,1,0,0,0
CCCn1c(=O)c2[nH]c(-c3ccc(O)cc3)cc2n(CCC)c1=O,0,0,0,0
O=C1OCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21,0,0,0,0
S=C(NCCc1ccccc1)NN=C1CCCCCC1,0,1,0,0
Cc1cccc(N2CCN(C(c3cccs3)c3nnnn3C(C)(C)C)CC2)c1C,0,0,0,0
CC(C)c1cccc2cc[n+](C)c(Cc3cccc(Cc4c5c(C(C)C)cccc5cc[n+]4C)c3)c12,0,0,0,0
Clc1ccc(-c2ccnc(Oc3ccc4ccccc4c3)n2)cc1,1,0,0,0
CC1C(C#N)=C(N)OC2=C1C(=O)CC(C)(C)C2,0,0,0,0
Clc1ccc(-n2ccc(OCCN3CCCCC3)n2)cc1Cl,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cc(F)cc3scnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1,0,0,0,0
Cn1c[n+](Cc2ccc(C#N)cc2)c2ccccc21,0,0,0,0
O=C(O)c1ccc(S(=O)(=O)N(Cc2ccccc2)C2CCCCC2)cc1,0,0,0,0
CC(C)n1nc(-c2ccc3cnccc3c2)c2c(N)ncnc21,0,0,0,0
CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CCC(C(C)(C)CC)C2,0,0,0,0
O=C(O)COc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,1,0,0,0
Cc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1,0,0,0,0
COc1cc(OC)c(Nc2cc(C)nc3ncnn23)cc1Cl,0,0,0,0
COc1ccc(-c2nnc(SCc3nc(=O)c4ccccc4[nH]3)o2)cc1,0,0,0,0
N#Cc1cnc(N2CCCCC2)cc1C(F)(F)F,0,0,0,0
c1cc2c3c(cccc3c1)C(N1CCC(c3c[nH]c4ncccc34)CC1)C2,0,0,0,0
COc1ccc(CCn2cc(-c3ccc4nc[nH]c4c3)nn2)cc1OC,0,0,0,0
CNC(=O)Nc1ccc2c(c1)C(=O)/C(=C/c1cn(C)c3nccc(-c4ccccc4)c13)O2,0,0,0,0
NC(=O)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O,0,0,0,0
CCCN1CCN(CCCNC(=O)C2CCCN(c3nc4ccc(OCC)cc4s3)C2)CC1,1,1,0,0
O=S(=O)(C=Cc1ccccc1)Nc1cccc(S(=O)(=O)NC2=NCCC2)c1,0,0,0,0
N#Cc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C(F)(F)F)c1,0,0,0,0
c1ccc(C2=NCCCN2)cc1,0,0,0,0
Cc1cc(Nc2ccccc2Br)n2nc(C)nc2n1,0,0,0,0
N/C(=N\OC(=O)COc1ccc(Cl)cc1Br)c1ccncc1,0,1,0,0
CCCCOc1ccc(C(=O)N/N=C/c2cn[nH]c2-c2ccc(OC)c(OC)c2)cc1,0,1,0,0
CC(=O)Nc1ccc2nc(-c3ccncc3)[nH]c2c1,0,0,0,0
CC(C)c1ccc(-c2cnc(C(=O)NCC(=O)O)c(O)c2)cc1,0,0,0,0
Oc1cccc(-c2nc(N3CCOCC3)c3[nH]cc(C4CCN(Cc5ccccc5)CC4)c3n2)c1,0,0,0,0
Cc1nn(-c2ccccc2)c(Cl)c1C=NNc1nc(=O)cn[nH]1,0,0,0,0
COc1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cn1,0,1,0,0
CS(=O)(=O)c1cc(-c2ccccc2)cc(S(=O)(=O)c2cc(F)c(CN)s2)c1,0,0,1,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1ncccn1,0,0,0,0
O=C(O)c1ccccc1NCc1ccccc1Cl,0,0,0,0
O=S(=O)(c1cccc(C(F)(F)F)c1)N1c2ccccc2-n2cccc2C1c1cccnc1,0,0,0,0
O=S(=O)(NC1CCCCC1)c1ccc(S(=O)(=O)N2CCN3CCCC3C2)cc1,1,0,0,0
Cc1cccc(C(=O)OCC(=O)N2CCCCCC2)c1,0,1,0,0
CN(CCOc1ccc(-c2ccccc2)cc1-c1cccs1)CC(=O)O,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)c(Cl)c2)n1,0,0,0,0
Oc1cccc(-c2cn3cc(C(F)(F)F)nc3c(N3CCOCC3)n2)c1,0,0,0,0
CC(=O)N1C(c2ccccc2O)C[C@]2(C)CC(=O)NC12,0,0,0,0
Fc1cccc(Cl)c1CSc1nccn1-c1cccnc1,0,0,0,0
O=C1CN(C(=O)CNCc2ccccc2)c2ccccc2N1,0,0,0,0
COc1ccc(N2C(=O)CC(Cc3ccccc3)C2=O)cc1,0,0,0,0
c1ccc(OCCCNCCOc2ccccc2)cc1,0,0,0,0
N#Cc1nc(N2CC[C@H](S(=O)(=O)c3ccc(N4CCN5CCC[C@H]5C4)cc3Cl)C2)cc(C(F)(F)F)n1,0,0,0,0
Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1,1,0,0,0
COc1nn2cc(-c3ccc(F)cc3)nc2s1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1C1CCN(C(=O)[C@H](C)O)CC1,0,0,0,0
Cc1cccc(N2C(=O)SC(SC(=Nc3ccccc3)Nc3ccccc3)C2=O)c1,1,0,0,0
Cc1onc(-c2ccncc2)c1COc1ccc(C(=O)N2CCOCC2)cn1,0,0,0,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(S(=O)(=O)N(CC)CC)cc2)CC1,1,0,0,0
O=c1c2cn[nH]c2[nH]c(=S)n1-c1ccccc1F,0,1,0,0
O=C(Nn1cnnc1)C1CCCN1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
O=C1NC(=O)N(CCC2=CCCCC2)C(=O)C1=CNc1cccc(F)c1,0,0,0,0
COc1ccc(Cl)c(OC)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCc1cc2c(N3CCN(C(C)=O)CC3)nc(NC(=O)NCCC(=O)O)nc2s1,0,0,0,0
COc1cc(OC)c2c(c1)O[C@H](c1cc(OC)c(OC)c(OC)c1)[C@@H](OC(=O)c1cc(OC)c(OC)c(OC)c1)C2=O,0,0,0,0
COc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2Cl)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cc1ccc2c(c1C)NC(=O)CC(c1ccccc1O)=N2,0,0,0,0
C[C@@H](NC(=O)[C@@](C)(O)C(F)(F)F)c1ncc(-c2cc(Cl)cc(F)c2-c2noc(CO)n2)cc1F,0,0,0,0
O=[N+]([O-])c1ccccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,0,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1cc(C(=O)O)ncn1)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
Cc1c(-c2ccc(F)c(F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1cccc(C(F)(F)F)c1,1,0,0,0
O=C1c2ccccc2-c2cccc(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)c21,1,0,0,0
CCC(=O)N(CCc1ccccc1C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,0,0,0,0
COc1cc(CNC2CCCCCCC2)cc(Cl)c1OC,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)NC3CCCCC3)c2)on1,0,0,0,0
CCOc1ccc(/C(O)=C2/C(=O)C(=O)N(CC3CCCO3)C2c2ccco2)cc1,0,0,0,0
O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2Cl)cc1,1,1,0,0
C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2n(Cc2ccccc2Cl)c1=O,1,0,0,0
COc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1OS(=O)(=O)c1ccc(C)cc1,0,0,0,0
COc1ccc(-c2cc(=O)c3ccccc3n2C)cc1,0,0,0,0
Cc1ccc(-n2nccn2)c(CN2CCCN(c3ncc4ccccc4n3)CC2)c1,0,0,0,0
C=CCn1c(-c2cccc(OC)c2)n[nH]c1=S,0,0,0,0
CC1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CC(C)CSc2nnnn2-c2ccccc2)CC1,0,0,0,0
C=C(C)CC1(c2ccccc2)CCN(C2(c3ccc(-c4ccn(C)c(=O)c4)cc3)CC2)C(=O)O1,0,0,0,0
CCOC(=O)C(NC(=O)OC(C)C)(Nc1nccs1)C(F)(F)F,0,0,0,0
CCc1[nH]c(/C=C2\C(=O)Nc3ccc(S(=O)(=O)Nc4ccccc4)cc32)c(CC)c1CCC(=O)O,0,0,0,0
COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,0,0,0,0
Cc1[nH]c2ccccc2c1CCC1CCNCC1,0,0,0,0
COCCN1C(=O)N[C@@H](c2ccc(Br)cc2)C(C(C)=O)=C1C,0,0,0,0
O=C(Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1)C1CCCO1,0,1,0,0
COc1ccc(S(=O)(=O)NCc2nc3nc(C)cc(C)n3n2)cc1,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1,0,0,0,0
CC(C)C(NC(=O)C(=Cc1ccco1)NC(=O)c1ccco1)C(=O)O,0,0,0,1
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(O)c(C(=O)O)c2)c1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccc(OC)cc1)NC2,1,0,0,0
O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccc2c(c1)OCCO2,0,0,0,0
c1ccc(NC2=Nc3cccc4cccc2c34)cc1,0,1,0,0
Oc1ccc2c(c1)[C@]1(CCCCCc3ccccc3)CCN(CCc3ccccc3F)C[C@@H]1O2,0,0,0,0
N[C@H]1C=CCC[C@@H]1C(=O)O,0,0,1,0
Cc1cnc(-c2ccccc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
OCC(CO)NC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
c1ccc(OC[C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1,0,0,0,0
C[C@]12CCC(=O)C=C1C[C@@H](SCCc1ccccc1)[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0,0,0,0
N#CCCn1cc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2cc3ccccc3o2)n1,1,0,0,0
N#Cc1cc(F)ccc1-c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1,0,0,0,0
O=C([O-])CN(CCN(CC(=O)[O-])Cc1cc(CCC(=O)NCCCCCC(=O)NCCCC[C@H](NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)ccc1[O-])Cc1cc(CCC(=O)O)ccc1[O-].[68Ga+3].[H+],0,0,0,0
O=C(Nc1ccc2c(c1)OCO2)c1noc2c1CCCCC2,0,1,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)C(C)C3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CN(C)CCNc1nc(/C=C/c2ccc(F)cc2)nc2ccccc12,0,0,1,0
O=C(CCc1ccccc1)NC(=S)Nc1cccc(C(=O)O)c1,0,1,0,0
Cc1cccc(-n2c(O)c(C=CC=Nc3ccccc3)c(=O)[nH]c2=O)c1,0,0,0,0
CCOC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1N,0,0,0,0
c1ccc(CN2CCN(CC3COc4ccccc4O3)CC2)cc1,0,0,0,0
Cc1ccc(Cn2c(C(=O)O)c(CNC3CCCCCC3)c3ccc(C)cc32)cc1,1,0,0,0
CC1CCCCN1Cc1nc2ccccc2c(=O)[nH]1,0,0,0,0
COCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc(OC)c2OC)C1=O,1,0,0,0
CC(C)(C)CC(=O)Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1,0,0,0,0
COC(=O)N1CC(Nc2cc(-n3ccc4cc(C#N)cnc43)ncc2C(=O)NC[C@H](F)C(C)(C)O)C1,0,0,0,0
CCCn1c(C)nc2cc3c(cc21)C1CNCC3C1,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2ccccc2Br)CC1,0,0,0,0
CC(C)CC(=O)N1CCN(Cc2ccccc2Cl)CC1,0,0,0,0
Cc1nc(N2CCN(C(=O)CCC(=O)O)CC2)c2c(C)c(C)sc2n1,0,0,0,0
CCn1c(CCNC(=O)c2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1,1,0,0,0
CCNC(=O)OC1CCN(c2nncc3cc(OC)c(OC)cc23)CC1,0,0,0,0
CCc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1,0,0,0,0
CCCCN1CCN(C(=O)c2ccc(-c3ncnc(C)c3C#Cc3ccc(N)nc3)cc2)CC1,0,0,0,0
Cc1ccc(-c2cccc3cnc(Nc4ccc(F)cc4)nc23)cn1,0,0,0,0
COC(=O)c1sc(NC(=O)c2ccc(OC)cc2OC)nc1C,0,1,0,0
N#Cc1nc(-c2ccc(OCc3ccccc3)cc2)oc1NCCCn1ccnc1,1,0,0,1
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cccc(F)c1-c1ncccn1,0,0,0,0
O=S(=O)(NCC1(N2CCOCC2)CCCCC1)c1ccccc1Cl,0,0,0,0
C[C@@H](C#N)NC(=O)[C@@H](C)Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12,0,0,0,0
CCCc1cc(N)c2cc(NCCCc3ccc(C(F)(F)F)cc3)ccc2n1,0,0,0,0
Clc1cc2c(cc1Cl)Oc1c(Cl)cccc1O2,0,0,0,0
CCOC(=O)c1sc2nc(C3CC3)cc(-c3ccc(OC)cc3)c2c1N,0,0,0,0
Cc1cc2nc(-c3cccc(NC(=O)c4cccc5ccccc45)c3)oc2cc1C,0,1,0,0
Cc1ccc(N/N=C2\C(=O)N(CN3CCOCC3)c3ccccc32)cc1,0,0,0,0
COc1cc2c(cc1Nc1nc(Cc3c(Cl)cccc3Cl)c3[nH]cnc3c1C(N)=O)CNCC2,0,0,0,0
COc1ccc(C2C(C#N)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1Cn1cc([N+](=O)[O-])cn1,1,0,0,0
O/N=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1,0,0,0,0
CC1CCN(c2[nH]c(=S)c(C#N)c3c2CCCC3)CC1,0,0,0,0
CC(C)CCOc1ncnc2c1sc1nc3c(cc12)CSC(C)(C)C3,1,0,0,0
CC(=O)C(c1ccccc1)C1CCCCN1,0,0,0,0
Brc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
CS(=O)(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)c1nccs1,0,0,0,0
COc1ncc2ncc(=O)n(C3CC3)c2n1,0,0,0,0
CCC(=O)N1CN(S(=O)(=O)c2ccc(C)cc2)CC1C,0,0,0,0
Cc1cc(C)c(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)c(C)c1,0,0,0,0
Nc1nc2ccccc2cc1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1ccc(C)n1-c1ccsc1C(=O)CC#N,0,0,0,0
CN1CCN(c2ccc3n[nH]c(S(=O)(=O)c4cccs4)c3c2)CC1,0,0,0,0
CCOC(=O)c1ccc(N2C(=O)CC(Sc3ncccn3)C2=O)cc1,0,0,0,0
O=C(Nc1cccnc1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1,0,0,1,0
CC(C)C1CN(C)CCN1Cc1cn(C)nc1-c1cccc(Cl)c1,1,0,0,0
O=C(c1ccc(-n2cnnn2)cc1)N1CCOCC1,0,0,0,0
O=C(NCCN1CCC(Cc2ccccc2)CC1)C1CCN(S(=O)(=O)N2CCC3(CC2)OCCO3)CC1,1,0,0,0
CC(C)CCNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1NC1COC1,0,0,0,0
Cc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)cc1,0,0,0,0
Cc1cc(Cl)c(S(=O)(=O)NCc2ccncc2)cc1OCC(N)=O,0,0,0,0
CC(N)=N[C@H](Cc1c[nH]c2ccccc12)c1ncc(-c2ccccc2)[nH]1,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(CCCN(C)C)c3nc4ccc(CC)cc4s3)cc2)CC1,1,0,0,0
CCCCS(=O)(=O)N1CCCC(C(=O)Oc2ccccc2OC)C1,0,0,0,0
COc1ccc(CN2CC(C(=O)N3CCOCC3)CC2=O)cc1,0,0,0,0
CCN(CC)CCCN=C(C)c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,0,0,0,0
Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)c1,1,0,0,0
Cc1cnc(CNc2ncncc2-c2ccoc2)cn1,0,0,0,0
COc1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1OC,0,1,0,0
CCOP(=O)(OCC)C(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)cc1,0,0,0,0
CN1CCc2cncn2Cc2ccc(C#N)c(c2)Oc2ccc3cccc(c3c2)N2CC[C@H]1C2=O,0,0,0,0
O=C1Nc2cc(-c3cccc4c(NC5CC5)noc34)c(Cl)cc2C12CCCC2,0,0,0,0
c1ccc(CNc2oc(-c3ccccc3)nc2-c2ccccc2)cc1,0,0,0,0
Cc1ccn(-c2ccc(C(=O)N3Cc4cccnc4Nc4ccccc43)c(Br)c2)n1,0,0,0,0
O=C(O)C1CC1C(=O)c1ccc(N(CC2CC2)c2ccc(Cl)cc2)cn1,0,0,0,0
COc1nccc2c3cnc(Nc4ccc(N5CCC(N(C)C)CC5)cn4)nc3n(C3CCCC3)c12,0,0,0,0
CCN(CC)C(=O)CSc1nc(O)cc(=O)n1-c1ccccc1OC,0,0,0,0
O=C(C1CCCN1S(=O)(=O)c1cccc2cccnc12)N1CCn2c1nc1ccccc12,1,0,0,0
O=C(NNC(=O)c1ccccc1OCc1ccccc1)c1ccccc1O,0,1,0,0
N=C(N)CCCCC1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@H]12,0,0,0,0
C=CCC1(c2ccccc2)C(=O)NC(=O)NC1=O,0,0,0,0
O=C1OC(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)CN1C1CCCC1,0,0,0,0
CCOc1cc(CNCCSc2nnnn2-c2ccccc2)cc(Cl)c1OC,0,0,0,0
CCCCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1,0,0,0,0
O=C(O)C1CCCN1C(=O)c1ccco1,0,0,0,0
CCCCOc1ccc2nc(-c3cn4nc(CC)sc4n3)oc2c1,0,0,0,0
COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1,0,0,0,0
Cc1cccc2c(C(=O)N3CCCCC3)cc(-c3ccccc3)nc12,1,0,0,0
CCN=c1scc(-c2ccco2)n1N=Cc1ccc(O)cc1,1,0,0,0
CCCC(=O)Nc1nc2[nH]c(-c3ccccc3)cc(=O)n2n1,0,0,0,0
CC(C)Nc1ncnc2ccc(Br)cc12,0,0,0,0
NS(=O)(=O)c1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)cc1,0,0,0,0
CCCCCC1CCC(c2ccc(C(=N)NO)cc2)CC1,0,0,0,0
CCNc1ccc(C#Cc2c(CC)ncnc2-c2ccc(C(=O)N3CCN(CCNS(C)(=O)=O)CC3)c(F)c2)cn1,0,0,0,0
O=C(COc1ccc(S(=O)(=O)N2CCCCC2)cc1)N1CCN(Cc2ccccc2)CC1,1,0,0,0
CCCC(C)C1(CCSC)C(=O)NC(=S)NC1=O,0,0,0,0
COc1ccc(C(=O)N(Cc2cc(OC)c(OC)c(OC)c2)c2ccccn2)cc1,0,0,0,0
O=C(C1=CC(c2csc3ccccc23)CC(OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
Cc1ccc(-c2ccc3ncc4c(c3n2)n(C2CCOCC2)c(=O)n4C)cn1,0,0,0,0
Cc1nc2nc(NCc3cccc(Cl)c3)[nH]n2c(=O)c1Cc1ccccc1,0,0,0,0
COc1ccc(OC)c2c1C(=O)N(CSc1nnnn1-c1ccccc1)S2(=O)=O,0,0,0,0
COC(=O)Nc1ccc2c(c1)NC(=O)CC/C=C\C[C@H](N1CC[C@H](c3cc(Cl)ccc3OC(F)F)OC1=O)c1ncc-2[nH]1,0,0,0,0
Cc1c(OCC(=O)NCC(O)c2ccccc2)ccc2c3c(c(=O)oc12)CCCC3,1,0,0,0
CC(C)(C)c1ccc(/C=N/NC(=S)NCc2ccccc2)cc1,1,0,0,0
Cc1c(O)c2cccnc2[nH]c1=O,0,0,0,0
CC(=O)N(C)C(C)COc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=c1cc(N2CCCCC2)oc2c(-c3cc(-c4ccccc4)cs3)cccc12,0,0,0,0
CC(=O)Cn1ncc(N2CCOCC2)cc1=O,0,0,0,0
Cc1ccn(-c2cc(Cl)ccc2[C@@H](Oc2cc(N3CCC4(CC3)CNC(C(=O)O)C4)[nH]c(=O)n2)C(F)(F)F)n1,0,0,0,0
Cc1ccc(CSc2nc(=O)c3c([nH]2)NC(=O)CC3c2cccc(F)c2F)cc1,0,0,0,0
CCC1SC2=NCN(c3ccccc3)CN2C1=O,0,0,0,0
COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
O=C(c1cccc(C(F)(F)F)c1)N1CC2CC(C1)c1cccc(=O)n1C2,0,0,0,0
CC(C)C[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CCCCC2)cc1,0,0,0,0
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1ccccc1[N+](=O)[O-],1,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(CC(C)C)cc2CO)c1C,0,0,0,0
CC1C(=O)Nc2ccccc2N1S(=O)(=O)c1ccc(F)cc1,0,0,0,0
COc1cc(-c2nn(C3CCC(N4CCN(C)CC4)CC3)c3ncnc(N)c23)ccc1NCc1ccco1,0,0,0,0
COc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)nn1,0,0,0,0
CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1,0,0,0,0
FC(F)(F)Oc1ccccc1Nc1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
Cc1cc(C)cc(NC(=O)CN2CCN(c3ccccc3)CC2)c1,1,0,0,0
O=C1CC(CN2CCC(c3noc4cc(F)ccc34)CC2)Cc2ncncc21,0,0,0,0
COc1ccc(OC)c2sc(N3CCN(C(=O)CCS(=O)(=O)c4ccc(F)cc4)CC3)nc12,1,0,0,0
CC(C)[C@@H]1NC(=O)[C@]2(C)CSC(=N2)c2csc(n2)CNC(=O)C[C@@H](/C=C/CCSSC[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)OC1=O,0,0,0,1
Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1cccc(C[C@@H]2C(=O)N(c3ccc(C(C)(C)C)cc3)[C@@H]2C(=O)O)c1,0,0,0,0
COC(=O)c1cccc(Oc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1,0,0,0,0
CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(S(N)(=O)=O)cc4)n[nH]c2-3)CC1,0,0,0,0
CCNCCC1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
CC(C)COP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1F,1,0,0,0
CC(C)OCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc([N+](=O)[O-])c2)C1=O,1,0,0,0
CN1C(=CC(=S)Nc2ccccc2)C(C)(C)c2ccccc21,0,0,0,0
COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCO3)ccc1O,1,0,0,0
CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)nc2c1Cc1c(CO)cnc(C)c1O2,1,0,0,0
O=C1CC(c2ccc(CC(NS(=O)(=O)c3cccc(F)c3)C3=NC[C@@H](CCc4ccccc4)N3)cc2)S(=O)(=O)N1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cccc(F)c3)c2)s1,0,0,0,0
Cn1cc(-c2cccc(Cn3c(CC4(C(=O)O)CCCC4)nc4cc(OCc5ccc6ccccc6n5)ccc43)c2)cn1,0,0,0,0
COC(=O)c1c(NC(NC(C)=O)C(Cl)(Cl)Cl)sc2c1CCCC2,0,0,0,0
Cc1ccc(N2C(=O)C3CNNC3NC2=S)cc1,0,0,0,0
O=C(OCC(=O)c1cccs1)c1ccc(NC(=O)c2ccco2)cc1,1,0,0,0
O=c1nc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)[nH]c2ccccc12,0,0,0,0
Clc1ccc2c(c1)NC(=NCCN1CCOCC1)c1cccnc1O2,0,0,0,0
COc1cc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc(OC)c1,0,0,0,0
C[C@H]1CN(CC(=O)N2CC(C)(C)c3cnc(C(C)(F)F)cc32)[C@H](CN2CCCC2=O)CN1,0,0,0,0
COc1ccc(C(F)(F)F)c[n+]1CCCCOc1ccc2c(C)cc(=O)oc2c1,0,0,0,0
COCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2ccc(C)cc2)C1=O,1,0,0,0
Cc1cc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)c(F)c4)c3n2)ncc1F,0,0,0,0
CC(C)CC1NC(=O)C2(CCN(Cc3ccc(Oc4ccccc4)cc3)CC2)N(Cc2ccccc2)C1=O,0,0,0,0
CC(C)(C)c1cnc(CCN2CCc3cc(S(=O)(=O)Nc4ccc(CCCC5CCCC5)cc4F)ccc3C2)cn1,0,0,0,0
CCN(C(=O)COC(=O)c1cc2c(s1)CCCCC2)C1CCS(=O)(=O)C1,1,0,0,0
CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccccc1,0,0,0,0
FC(F)(F)c1cnc(Nc2ccccc2Cl)nc1Nc1cc(C2CC2)[nH]n1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CN(c3ccc(OC4CC4)cc3C)C2)cc1,0,0,0,0
NC(=O)c1cnc(N2CCC(Oc3ccccc3C(F)(F)F)CC2)s1,0,0,0,0
Cn1nnnc1SCc1cn2cccnc2n1,0,0,0,0
O=C1Nc2nccc(Oc3ccc4c(c3)C3C(O4)C3c3nc4ccc(C(F)(F)F)cc4[nH]3)c2CO1,0,0,0,0
CN(C)CC1(c2ccc(-c3c(O)ccc4[nH]c(=O)c5sccc5c34)cc2)CC1,0,0,0,0
O=C(Nc1ccc(SC(F)F)cc1)c1cccc2nc3ccccc3nc12,1,0,0,0
COc1cc(N2CCCCC2)ccc1Nc1nc2c(c(Nc3ccccc3S(=O)(=O)NC(C)C)n1)CCN2,0,0,0,0
CCOc1cccnc1Nc1cccc(OC)n1,0,0,0,0
Clc1ccc(C2(c3cc4nccnc4[nH]3)CC2)cc1,0,0,0,0
Cc1cc(C)[n+](-c2ccc(Oc3ccccc3)c(S(=O)(=O)O)c2)[nH]1,0,0,0,0
CCOc1ccc(/N=C/C=C(\O)c2ccccc2)c([N+](=O)[O-])c1,1,0,0,0
CC(C)ONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc(CCN4CCN(C)CC4)cc3)ncc2c1=O,0,0,0,0
Cc1c(C)[n+](=O)c(-c2ccco2)c(C)n1[O-],0,0,0,0
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4(F)CC(F)(CC(F)(C4)C2)C3)cc1F,0,0,0,0
O=C1C(C(c2cccs2)N2CCN(c3ccccc3)CC2)Sc2ncnn21,0,0,0,0
CCC(O)(c1nnn(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)n1)C(F)(F)F,0,0,0,0
Cc1cnc(C(=O)c2ncnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1,0,0,0,0
c1cc(N2CCc3c(-c4cncnc4)nc(N4CCOCC4)nc32)ccn1,0,0,0,0
COCCC(=O)Nc1nc(-c2ccc3nccnc3c2)c(-c2ccc(F)c(C)n2)[nH]1,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(Oc3cccc(C(=O)O)c3)cc2)cc1,0,0,0,0
Cc1ccc(Sc2c(C)nn(-c3ccccc3)c2OC(=O)CC(C)C)cc1,0,0,0,0
Cc1cccc(NC(=S)N/N=C/c2c[nH]c3ccccc23)c1,1,0,0,0
CCOCCCNC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)c(-c3ccc(OC)c(OC)c3)nc2c1,1,0,0,0
C=CC(=O)Nc1ccc(S(=O)(=O)N2CCN(C(=O)OCc3cccc(F)c3F)CC2)cc1,0,0,1,0
Cc1nc(CN2C(=O)c3c(nc(N4CCC[C@@H](N)C4)n3CC3CC3)N3CCN=C23)nc2ccccc12,0,0,0,0
CC(=O)Nc1ccc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)cc1,0,0,0,0
O=c1nncc(-c2ccccc2)[nH]1,0,0,0,0
CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(NC(Cc3cccnc3)C(=O)O)c2C#N)cc1,0,0,0,0
c1ncc(CC2CCN(CCCOc3ccc(N4CCCCC4)cc3)CC2)[nH]1,0,0,0,0
CCOC(=O)C(C)n1nc(C=Cc2ccc(OC)cc2)ccc1=O,1,0,0,0
Cc1oc(-c2ccc(Cl)cc2)nc1CCOc1ccc(CC2(C(=O)O)CCCO2)nc1,0,0,0,0
Cn1nc(/C=C/c2ccccc2)ccc1=O,0,0,0,0
N[C@@H]1C=CC[C@H](C(=O)O)C1,0,0,1,0
CN1C(=O)C2C(C=Cc3ccccc3)N3C(=O)CN(Cc4ccc(-c5ccccc5)cc4)C(=O)C3(Cc3ccccc3)C2C1=O,0,0,0,0
CCOc1cc(CNc2ccc(O)cc2)ccc1OCc1ccc(Cl)cc1Cl,0,0,0,0
CC(=O)OCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@@H](C(C)=O)C2S(=O)(=O)C1,0,0,0,0
Cc1nc2cc(-c3ccccc3)ccc2o1,0,1,0,0
COC(=O)c1sccc1NC(=O)c1cc(-c2ccc(C)cc2C)nc2ccccc12,1,0,0,0
Cc1ccc(C2NC(=O)NC(O)(C(F)(F)F)C2C(=O)c2cccs2)o1,0,0,0,0
COc1ccc(C2(O)CCN(C(=O)c3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
CCc1ccc(N=C2C=C(O)C(=O)c3ccccc32)cc1,0,0,0,0
Cc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
Cc1cc(C)c(S(=O)(=O)NCc2ccncc2)c(C)c1,0,0,0,0
O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2cccs2)c1,0,0,0,0
CCOc1ccc(CNS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)cc1OC,0,0,0,0
CCc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1,0,0,1,0
Cc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccccc2)cc1,0,0,0,0
COc1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)c1,0,0,0,0
Cc1ccc(-c2ccc(-c3ccc4c(c3)c(C)c(CC(C)(C)C(=O)O)n4Cc3ccc(Cl)cc3)cc2F)cc1,0,0,0,0
O=C1CC(c2ccccc2)c2cccc(F)c21,0,0,0,0
COc1ccc(C(=O)COC(=O)c2ccccc2O)c(OC)c1,0,1,0,0
CC(=O)Nc1nnc(SCc2cc(=O)c3cccc(Cl)c3[nH]2)s1,0,0,0,0
COc1cc2c(cc1OC)Oc1ncnc(Sc3cccc(Cl)c3)c1NC2,0,0,0,0
C=C[C@@]1(O)C[C@@]2(CC)c3ccc(O)cc3CC[C@@H]2C[C@@]1(O)c1ccccc1,0,0,0,0
CCCC(Sc1ccc(OCC(=O)O)c(C)c1)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C,0,0,0,0
CC1CCCN(Cc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccc(Cl)cc2)C1,0,0,0,0
O=C(Cc1c[nH]c2ccccc12)Nc1nc2ccccc2[nH]1,1,0,0,0
CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(N)n2)CC1,0,0,0,0
Cn1c(CO)cnc1SCc1ccccc1,0,0,0,0
O=C1NC[C@](COCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccc(F)cc2)N1,0,0,0,0
Cc1ccc(-n2c(NN)nc3ccccc3c2=O)c(C)c1,0,0,0,0
Cc1noc(-c2ccc3c(c2)c2c(n3CCCSc3ccc(F)c(F)c3)CCCC2)n1,0,0,0,0
CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN(CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCS(=O)(=O)c1cccc(Oc2ccc(Cl)c(-n3cnc4c(C(F)(F)F)cccc43)c2)c1,0,0,0,0
C#CCOc1ccc(C=C2C(=O)ON=C2C)cc1Cl,0,0,0,0
COc1cc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc([N+](=O)[O-])c1,0,0,0,0
CCc1nn(C(C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c(=O)c2cc3occc3n12,1,0,0,0
CN1[C@@H]2CC[C@H]1CC(CC(CNS(=O)(=O)c1ccccc1)(c1ccccc1)c1ccccc1)C2,0,0,0,0
c1cc(OCCCC2CCCCC2)ccc1CN1CCCCC1,0,0,0,0
CS(=O)(=O)c1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(c3ccccc3)C2)cc1,0,0,0,0
O=C1CN(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c2ccccc2N1,0,0,0,0
Cc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)C2)cc1,1,0,0,0
Cc1cc2c(Nc3n[nH]c4c3CN(C(=O)O[C@H](CN(C)C)c3ccccc3)C4(C)C)ncnc2s1,0,0,0,0
CCN(CC(O)COc1ccc(OCC(O)CN(CC)C2CCCCC2)cc1)C1CCCCC1,0,0,0,0
c1ccc2c(c1)CCCC21CCN(CC2CCCO2)CC1,0,0,0,0
CCC1=C[C@@H]2C[N@](C1)Cc1c([nH]c3ccccc13)[C@@](C(=O)OC)(c1cc3c(cc1OC)N(C)[C@H]1[C@@](O)(C(=O)OC)[C@H](OC(C)=O)[C@]4(CC)C=CCN5CC[C@]31[C@@H]54)C2,0,0,0,0
CCOc1ccc(C2(C)CC(=O)N(C)C2=O)cc1,0,0,0,0
CCCC1CCC(c2ccc(C(=N)NO)cc2)CC1,0,0,0,0
CNS(=O)(=O)c1ccc(O)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
Cc1cccc(C2C3C(=O)N(Cc4ccccc4)C(=O)C3C3(CC(C)C)C(=O)N(c4cccc(F)c4)C(=O)N23)c1,0,0,0,0
CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2cccc(OC(F)(F)F)c2)c2ccccc21,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)n1ccc2ncc(N3CCNCC3)cc21,0,0,0,0
CCC(Cc1ccccc1)NS(=O)(=O)c1ccc2c(c1)NC(=O)C(C)S2,0,0,0,0
CCC(CC)COC(=O)C1=C(C)NC(=O)NC1c1cccc([N+](=O)[O-])c1,0,0,0,0
Cc1csc(NC(P(=O)(O)O)P(=O)(O)O)n1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(F)cc2)S1)c1ccc(F)cc1,0,0,0,0
COc1cccc(-c2nc3c(C#N)c[nH]n3c2NC2CCCC2)c1OC,1,0,0,0
COc1ccc(CCN2C(=O)CC(Cc3ccc(Br)cc3)C2=O)cc1OC,1,0,0,0
Cc1cc([N+](=O)[O-])ccc1NCc1cccc([N+](=O)[O-])c1,0,0,0,0
COc1cc(C(=S)N2CCCC2)cc(OC)c1OC,0,0,0,0
CCOc1ccccc1NC(=O)C1CCCN(S(=O)(=O)c2cccc3cccnc23)C1,1,0,0,0
Cc1c(NC2CC2)nc(C2CC2)nc1N1CCCCCC1,0,0,0,1
Cc1cccc(-c2nc3c(cnn3-c3ccccc3)c(=O)n2-c2ccc(Cl)cc2)c1,1,0,0,0
S=C(N/N=C/c1ccc(Br)cc1)N1CCCCC1,0,1,0,0
Cc1ccc2c3c(ccc(N(C)Cc4ccc(S(=O)(=O)c5ccc([N+](=O)[O-])cc5)cc4)c13)N=C2N,0,0,0,0
COc1ccccc1CNS(=O)(=O)c1c(C(=O)N2CCCCCC2)c(C)n(C)c1C,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4CCN(c5ncccn5)CC4)ncn3)c2c1,0,0,0,0
O=C(c1ccccc1-c1cccs1)N1CC2CN(c3ccc4ccccc4n3)CC2C1,0,0,0,0
Cc1cccc(N2CCN(C(=O)c3cn(C)c(=O)c4c3c3ccccc3n4C)CC2)c1C,1,0,0,0
CCOC(=O)N1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CC1,0,0,0,0
Cc1cccc(CC(=O)Nc2cccc(-c3cn4cccnc4n3)c2)c1,1,0,0,0
CC1CCCN1c1cccc(Nc2cc(-c3cccc(OCCN4CCOCC4)c3)nn3ccnc23)n1,0,0,0,0
Cc1ccncc1-c1cccc2c1ncn2-c1ccccn1,0,0,0,0
Cc1c(N=c2scc(-c3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1ccc(Cl)c(Nc2ncnc3cc(OCCCN4CCOCC4)cc(OC4CCOCC4)c23)c1,0,0,0,0
O=C(OCc1ccccc1Br)N1[C@H]2CC[C@H]1[C@H](Nc1ncnc3c1ncn3[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C2,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(S(=O)(=O)CC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CN(C)CCN(C)Cc1ccc2c(c1)Cc1ccccc1-2,0,0,0,0
O=C(O)c1ccc(Cl)c(NCc2ccncc2)c1,0,0,0,0
CC(C)n1nc(-c2cnc3nc[nH]c3c2)cc1C1CN(C2COC2)C1,0,0,0,0
Cc1cc(C)nc(SC2CC(=O)N(c3ccc(Br)cc3)C2=O)n1,0,0,0,0
Cc1cc(S(=O)(=O)NCc2ccccc2)cnc1-c1ccc(N(Cc2ccsc2)C(=O)c2cc(Cl)c(O)cc2O)cc1,0,0,0,0
COc1ccc(OCCNc2cc(Cl)ccc2[N+](=O)[O-])cc1,0,0,0,0
CCCSCCCNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2-n2cccc2)CC1,1,0,0,0
Cn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0,0,0,0
CC1(C)Oc2ccc3ccc(=O)oc3c2/C(=C/Nc2ccccn2)C1=O,1,0,0,0
COc1ccc(F)c(-c2nc(CN3CCC(c4ccccc4)CC3)c(C)o2)c1,1,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,0,0,0,0
CCOc1ccc(C[C@@H]2NC(=O)CC3(CCC(C)CC3)SSC[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(N)=O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](Cc3ccccc3)NC2=O)cc1,0,0,0,0
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl,1,0,0,0
Nc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc([C@@H](O)C(F)F)cc2)c1,0,0,0,0
COc1cc(/C=C2\C(=O)N(CCC#N)N=C2C)c(Br)cc1OC(C)C,0,0,0,0
O=C(/C=C/N1CCN(Cc2ccccc2)CC1)C(F)(F)F,0,0,0,0
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)C(=O)NC)cc1,1,0,0,0
COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)c(F)c1,0,0,0,0
Cc1cc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C,1,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(C)(C)C(F)(F)F)[nH]2)cc1,0,0,0,0
N#Cc1cc(C(=O)O)cc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1,0,0,0,0
COc1ccc(S(=O)(=O)N2CC(C)(C)CN(S(=O)(=O)c3ccc(OC)cc3)C2C(=O)NO)cc1,0,0,0,1
Oc1ccc(C(=S)N2CCCCCC2)cc1,0,0,0,0
FCCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
Cc1ccnc(C(=O)c2[nH]c3ccc(F)cc3c2CC(=O)O)c1,0,0,0,0
O=C(O)CNC(=O)c1c(O)ccc2cc(-c3ccccc3)cnc12,0,0,0,0
CC(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
Nc1nc(NCc2ccc(CNS(=O)(=O)c3cccc4ccccc34)cc2)nc2ccccc12,0,0,0,0
OC[C@H]1OC(n2c(NC3CC3)nc3c(SCc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
COc1ccc(-c2cnc3c(OC(C)C)snc3c2)cc1OC,0,0,0,0
CC(C)Oc1ccc(S(=O)(=O)N2CCN(c3cc(OCC(=O)O)cc(-c4ccoc4)c3)CC2)cc1,0,0,0,0
Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccs2)cc1,0,0,0,0
Clc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,0,0,0,0
N#Cc1c[nH]n2c(NC3CCCCC3)c(-c3ccc(F)cc3)nc12,0,0,0,0
COCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2C1c1ccc(OC)cc1,0,0,0,0
Cc1ccc(C(=O)c2sc3nsc(C)c3c2N)cc1,0,1,0,0
Cc1ccc2occ(/C=N/c3ncn[nH]3)c(=O)c2c1,0,0,0,0
O=S(=O)(c1ccc2nnn(OCc3ccccc3)c2c1)N1CCOCC1,0,0,0,0
COCCN1CCN(c2ccc3c(Nc4cc(CCc5cc(OC)cc(OC)c5)[nH]n4)ncnc3c2)CC1,0,0,0,0
COc1cccc(OC)c1OCCN1CCN(C(c2ccccc2)c2ccccc2)CC1,1,0,0,0
COC(=O)C1OC(c2cc(OC)c(C)c(OC)c2OCc2ccccc2)C(C)C2OC12C,0,0,0,0
Cc1cc(Nc2nc(NCc3ncccc3C)ncc2Br)n[nH]1,0,0,0,0
CS(=O)(=O)CCNCc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
Cc1nc2ccccc2n1CSc1ccccc1,0,0,0,0
COc1ccc(C)cc1NC(=O)C(Sc1nnc(Nc2ccccc2F)s1)c1ccccc1,1,0,0,0
CCOc1ccccc1Oc1coc2cc(OC(=O)N(C)C)ccc2c1=O,1,0,0,0
Cn1c(=O)oc2cc(S(=O)(=O)N3CCC4(CC3)OCCO4)ccc21,0,0,0,0
COc1ccc(Cl)cc1-c1n[nH]c(=S)n1C,0,0,0,0
O=C1CCCCC(=O)c2ccccc2N1,0,0,0,0
O=C(OCc1cc2c(cc1Cl)OCO2)N1CCC(n2c(=O)[nH]c3ccccc32)CC1,0,0,0,0
COc1ccc(-c2csc(NC(=O)C3CCCO3)n2)cc1,0,1,0,0
CCN1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1,0,0,0,0
Cc1nc2ncnn2c(C)c1Cc1cccc(C(F)(F)F)c1,0,0,0,0
C/C(=N\S(=O)(=O)c1ccc(C)cc1)NC(=S)Nc1ccccc1,0,0,0,0
Cc1ccc(CC2CCN(C(=O)C(=O)Nc3ccc4c(c3)OCC(=O)N4)CC2)cc1,0,0,0,1
Cn1cnc2cc(-c3ccc(CCN4CCNC(=O)C4)cc3)nc(NC3CC3)c2c1=O,0,0,0,0
NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)O)NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1,0,0,0,1
CCc1ccc(-c2c(C)sc(NC(=O)C3CCC3)c2C#N)cc1,1,0,0,0
CCN(CC)CCNC(=O)C(Oc1ccccc1)Oc1ccccc1,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccc(Br)cc12,0,0,1,0
CCOC(=O)c1nc(C)c(C(C)=O)s1,0,0,0,0
O=C(CCCN1C(=O)C(=Cc2ccc(F)cc2)SC1=S)NC1CCS(=O)(=O)C1,1,0,0,0
OCC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4cc(OC)c(C5(C)CC5)c(OC)c4)nn32)CC1,0,0,1,0
O=C1NC(=O)N(c2ccccc2)C(=O)C1=CNC12CN3CN(CN(C3)C1)C2,0,0,0,0
Cc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1Cl,0,0,0,0
Fc1cc(OCCN2CCCC2)ccc1Nc1nc2c(-c3ncn[nH]3)cccc2c2cnccc12,0,0,0,1
O=S(=O)(O)c1cc(N=[N+]([O-])c2cc(S(=O)(=O)O)c3ccccc3c2)cc2ccccc12,1,0,0,0
Cc1ccccc1-c1ccccc1Cn1cnc2c(SCc3ccc([N+](=O)[O-])cc3)ncnc21,0,0,0,0
O=C(O)CCCCCNC(=O)Cn1nnc2ccccc2c1=O,0,0,0,0
CCc1ccc(-c2nc(CSCC(=O)NCCc3ccccc3)c(C)o2)cc1,0,1,0,0
CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1ccccc1F,0,0,0,0
COCCN(C[C@H]1C[C@@H]1C)c1cc(-c2nnc([C@](C)(N)Cc3ccco3)o2)c(Cl)c(N(C)S(C)(=O)=O)n1,0,0,0,0
Cn1ncnc1-c1ccc(-c2cnn3ccc(N4C(=O)OC[C@H]4c4ccc(F)cn4)nc23)cc1F,0,0,0,0
COc1cc(-c2ccc3ncc(C(C)=O)c(Nc4ccc(CN5CCN(C)CC5)cc4)c3c2)cc(Cl)c1O,0,0,0,0
Cc1ccc(S(=O)(=O)c2nnn3c2nc(NC(C)C)c2cc(Cl)ccc23)cc1C,0,0,0,0
CCCCc1nc(Cl)c(C#N)c2c1CCCC2,0,0,0,0
O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1nncs1,1,0,0,0
C=CC(=O)N1CCC2C(CNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)C1,0,0,0,0
CC(=N)N1CCC(Oc2ccc3c(c2)OCC(=O)N3Cc2cc(-c3cccc(C(=N)N)c3)no2)CC1,0,0,0,0
Cc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc3c(c2)OCCO3)s1,0,0,0,0
CCNC(=O)N[C@H]1CCN(c2cccc3c2CCO3)C1,0,0,0,0
Brc1ccc2nc(CSc3nnc[nH]3)cn2c1,0,0,0,0
CCCCCOC(=O)C1=C(C)N(C)C(=O)NC1c1cc(Br)c(O)c(OC)c1,1,0,0,0
CCOC(=O)C1CCN(C(=O)c2cnn(-c3ccc(F)cc3)c2-n2cccc2)CC1,0,0,0,0
CCOC(=O)C(=NNc1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
COCCOC(=O)N1CCC(C(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)C(=O)O)CC1,0,0,0,1
COc1ccc(-c2ccc(C(=O)O)cc2F)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)c2c(Nc3cc(C)ccc3C)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,0,0,0,0
Oc1ccc2c(CCC3CCNCC3)c[nH]c2c1,0,0,0,0
CN1C(=O)C(=Cc2ccccc2Cl)Sc2ccc(C(=O)NCc3cccnc3)cc21,1,0,0,0
Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc21,0,0,0,0
CCc1nc2c(n1)c1c(non1O)c1c2no[n+]1[O-],0,0,0,1
Cc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2N)c1,1,1,0,0
O=C(O)[C@@H]1CCCC[C@@H]1c1nc2cc(OCc3nc4ccccc4s3)ccc2n1Cc1ccc(N2CCCCC2)cc1,0,0,0,0
CCOC(=O)c1cnc(/N=C/N(C)C)s1,0,0,0,0
NCC1(c2cccnc2)C[C@H]2CC[C@@H](C1)N2C(c1ccccc1Cl)c1ccccc1Cl,0,0,0,0
CC(OC(=O)c1ccc2noc(-c3ccccc3)c2c1)C(N)=O,0,0,0,0
CCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccccc2)CC1,0,0,0,0
CCCS(=O)(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
CC1(C)CC(=O)c2sc(N3CCCCC3)nc2C1,0,0,0,0
C/C(=N\OC(c1ccc(OCc2cscn2)cc1)C1CCCCC1)C(=O)O,0,0,0,0
Cc1nn(C)c(C)c1-c1cc(C(=O)c2nc3ccc(N4CCC(N(C)C)CC4)cc3[nH]2)ccn1,0,0,0,0
COc1cc(-c2cc3c([nH]2)c(=O)n(C)c(=O)n3C)ccc1OCC(=O)O,0,0,0,0
CC[C@H](C)C[C@H](C)CCC(=O)O[C@@H]1[C@@H](O)[C@@]2(CCC(C)[C@H](O)[C@@H](C)Cc3ccccc3)O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@]1(C(=O)O)O2,0,0,0,0
CCc1cccc(C)c1NC(=S)NCc1ccc2c(c1)cc(C)n2C,1,0,0,0
NC(=O)c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1,1,0,0,0
O=C1CCC(=O)N1OCCCOc1ccc(Br)cc1Cl,1,0,0,0
COc1ccc(Cl)cc1Nc1nc(N)c2ccccc2n1,0,0,0,0
Cc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1C,0,1,0,0
COC(=O)N1CCc2nc(-c3cc(C(=O)N4CCC(c5ccc(C#N)cc5)CC4)ccc3C3CC3)[nH]c2C1,0,0,0,0
COc1ccc2nc(OC)c3c(C)nc(C)n3c2n1,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3cc(OC)ccc3OC)c2C(=O)Nc2cc(OC)ccc2OC)C1,1,0,0,0
CCN(CC)c1ccc(C=NNC(=S)NCc2ccccc2)cc1,0,0,0,0
CC(C)(C)OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(N)=O)CC1,0,0,0,0
CCN(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)c1cc(CO)ccc1C,0,0,0,0
Cc1ccc(C(=O)NCC2CCCN2S(=O)(=O)c2cccs2)cc1C,1,0,0,0
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNCC(O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
COc1ccc(-c2nnc3cccc(Cl)n23)c(OC)c1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OC4CCOC4)cc3F)C2)cc1,0,0,0,0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2)c1)NO,0,0,0,1
Cc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4,0,0,0,0
Cc1cc(C)cc(C(=O)N2CC[C@H](NCc3ccnc4ccccc34)C[C@H]2CCc2ccccc2)c1,0,0,0,0
CN(CC(O)COc1ccc(OCC(O)CN(C)C2CCCCC2)cc1)C1CCCCC1,0,0,0,0
COc1cccc(CNS(=O)(=O)C=Cc2ccc(OC)c(OC)c2)c1,0,0,0,0
O=C(C(=O)N1CCN(c2ccccc2F)CC1)c1cn(CC(=O)N2CCOCC2)c2ccccc12,1,0,0,0
C[C@@H](N[C@H](C)c1ccn(-c2ccc(C(F)(F)F)cc2)n1)c1ccccc1,0,0,0,0
COC(=O)CC1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
C(=N/Nc1ccccn1)\c1ccc2c(c1)OCCO2,0,1,0,0
COc1cccc(-c2nccnc2C2CN(c3nc4ccc(OC)cc4s3)C2)c1,0,0,0,0
C#CCOc1ccc(C=C2C(=O)ON=C2C)cc1OCC,0,0,0,0
CCN(CC)C(=O)CSc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3,1,0,0,0
O=c1[nH]c(=O)n(Cc2ccco2)c(O)c1C=NCCN1CCOCC1,0,0,0,0
NC1CCC(n2[nH]nc3cnc4nccc4c32)CC1,0,0,0,0
O=S(=O)(c1c(Cl)nc2sccn12)n1ccc2ncc(-c3cnn(C4CCNCC4)c3)cc21,0,0,0,0
O=C(CCCCCCNC(=O)c1ccc(C(O)(c2ccccc2)c2ccncc2)cc1)NO,0,0,0,0
Cc1ccc(NC(=S)NC(C)CCc2ccccc2)cc1C,0,0,0,0
c1ccc(-c2[nH]c[n+](CC3CO3)c2-c2ccccc2)cc1,1,0,0,0
CCCNC(=O)Nc1nccs1,0,0,0,0
Cc1ccnc(NC(=O)Nc2cccc(F)c2)n1,0,1,0,0
COc1cc(OC)c(-c2cc(C(=O)NCc3ccc(F)cc3)c3c(-c4ccccc4)n[nH]c3n2)cc1OC,1,0,0,0
ONC=Nc1cccc2nonc12,0,0,0,0
C=C(C)COc1ccc(-c2[nH]ncc2-c2ccccc2OC)c(O)c1,0,0,0,0
O=[N+]([O-])c1cccc(-c2nnc3cccc(Cl)n23)c1,0,0,0,0
Cc1cc(C#N)cc(-c2cc(-n3cccn3)ccn2)c1,0,0,0,0
CCc1ccc(-c2ncc(CC)c(N(C)CCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)n2)cc1,0,0,0,0
Cc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)o1,0,0,0,1
CC(CC1(O)C(=O)Nc2ccccc21)=NO,0,0,0,0
COc1cccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)c1,0,0,0,0
Cc1ccc(Sc2c(C)nn(-c3ccccc3)c2OC(=O)C(C)(C)C)cc1,0,0,0,0
CCOc1ccc2[nH]c(C)c(CN3CCCCC3)c(=O)c2c1,0,0,0,0
CCCc1nc(NCCO)c(C#N)c2c1CCCC2,0,0,0,0
c1nc(SSc2ncnc3nc[nH]c23)c2[nH]cnc2n1,0,0,0,0
CC(OC(=O)OC1CCCCC1)OC(=O)C1=C(CSc2nnnn2CCN(C)C)CS[C@@H]2[C@H](NC(=O)Cc3csc(N)n3)C(=O)N12,0,0,0,0
CC1(C(=O)c2cn(CC3CCOCC3)c3ccccc23)CC(F)(F)C1(F)F,0,0,0,0
O=C(O)c1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1,1,0,0,0
COc1ccc(C(C#N)Nc2ccc(C)cc2)cc1,0,1,0,0
Cc1nc2ccc(NCC[N+](C)(C)[O-])c3c(=O)c4cc(F)ccc4n1c23,0,0,0,0
CC(C)CC(=O)N1CCN(Cc2cccc(Cl)c2)CC1,0,0,0,0
CC(C)CC(=O)N1CCN(Cc2ccccc2[N+](=O)[O-])CC1,0,0,0,1
O=c1c2ccccc2ncn1-c1ccc(Cl)cc1Cl,0,0,0,0
CC1CCC2C(=O)N3C(CCC(C)C3c3ccccc3Br)C(=O)N2C1c1ccccc1Br,0,0,0,0
COc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1,0,0,0,0
CC1Cc2ccccc2N1C(=O)COc1nc2ccccc2nc1N1CCOCC1,1,0,0,0
NS(=O)(=O)Cc1ccc(NC(=O)C2CC=CCC2)cc1,0,0,0,1
Cc1ccc(C#N)cc1S(=O)(=O)Nc1ccc(-c2ccc3c(N)n[nH]c3c2)cc1,0,0,0,0
Cc1cccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCCC4)c1,0,0,0,0
CCN(CC)C(=O)CSC1=NC(=Cc2ccco2)C(=O)N1c1ccc(OC)c(Cl)c1,0,0,0,0
COc1cc2c(cc1OC)CN(C(=O)c1cccc(S(=O)(=O)N3CCc4ccccc43)c1)CC2,1,0,0,0
Cc1noc(C)c1-c1cc(N2CCN(C)CC2)nc2c1ccn2S(=O)(=O)CC(C)C,0,0,0,0
CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1CC(Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2,0,0,0,0
CC1CN(Cc2cc(=O)oc3cc(O)c(Cl)cc23)CC(C)O1,1,0,0,0
COc1ccc(/C=N/Nc2nnc(Cc3ccc(OC)c(OC)c3)c(=O)[nH]2)cc1OC,0,0,0,0
CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1cccc(OC(F)(F)F)c1,0,0,0,0
Cc1ccc(OCCCCn2cnc3ccccc32)c(C)c1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCC(C)C)c(C(=O)O)c2)c1,0,0,0,0
O=C(NC1c2ccccc2-c2ccccc21)C(c1ccccc1)C1CCCC1,1,0,0,0
Cc1cc(C)nc(SCc2nnc(SCC#N)n2-c2cccc(Cl)c2)n1,1,0,0,0
Cc1oc(-c2ccccc2Cl)nc1CN1CCCCC1c1cccnc1,1,0,0,0
Nc1nc2c(c(=O)[nH]1)n(CCOc1ccc(Cl)cc1)c[n+]2[C@@H]1O[C@H](COP(=O)([O-])O)[C@@H](O)[C@H]1O,0,0,0,0
CC(C)NC(=O)c1ccc(CC2CCN(C3CCN(C(=O)c4c[nH]c5ccccc45)CC3)CC2)cc1,0,0,0,0
O=C1CC(c2nc(-c3cccc(Cl)c3)no2)CN1c1ccc2c(c1)OCCO2,0,0,0,0
CCCCC(=NCCc1c(C)[nH]c2ccc(OC)cc12)C1=C(O)CC(c2ccccc2)CC1=O,0,0,0,0
Nc1ncnc(N2CCN(C(CN3CCCC3)c3ccc(F)cc3)CC2)c1Cl,0,0,0,0
Cc1[nH]nc(-c2ccc(O)c(C)c2O)c1Oc1ccccc1,0,0,0,0
Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C(\C#N)C(=O)OC(C)(C)C)C[C@@H]2CCCNC2=O)no1,0,0,1,0
CC(O)C(O)C(O)c1cnc2[nH]c(N)nc(=O)c2n1,0,0,0,0
O=S(=O)(Nc1ccc(F)c(Nc2ncccc2-c2ncnc3nc[nH]c23)c1F)C1CCOCC1,0,0,0,0
c1cc2c(N3CCNCC3)nc(-c3ccnc(NC4CCOCC4)c3)cc2cn1,0,0,0,0
CC(C)c1ccc(NC2CCCN(C(=O)c3cccc4nccnc34)C2)cc1,1,0,0,0
O=C(C1CCC1)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCO4)ccc21,1,0,0,0
Cc1cnc(-c2ccc(Cl)cc2)nc1N(C)CCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
C=CCNC(=O)Cn1c(=O)c2c(ncn2CCC(C)C)n(Cc2ccccc2)c1=O,0,0,0,0
CN[C@@H]1CCN(c2cc(NC3CCCC3)nc(N)n2)C1,0,0,0,0
O=C1c2ccccc2C(=O)c2c1nnn2Cc1cccc(Br)c1,0,0,0,0
CCC1CCc2c(sc(N)c2C(N)=O)C1,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(Br)cc3)c3ccccc23)C1,0,0,0,0
O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,1,0,0,0
CC(=O)NC(C)C#Cc1cnc(Oc2ccc(OC3CCCCC3)cc2Cl)s1,0,0,0,0
CN(C)S(=O)(=O)c1ccc(Nc2ccc(C(=O)c3c(F)cccc3F)c(N)n2)cc1,0,0,0,0
COc1ccc(C2=NN(CCCCc3ccc(C4=NNC(=O)CC4C)cc3)C(=O)C3CC=CCC23)cc1Cl,0,0,0,1
CCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cc(OC)ccc1OC,0,0,0,0
CN1CCN(c2nc3ccccc3nc2Cl)CC1,0,0,0,0
CC(C)OCCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
NC(=O)c1ncc(C(F)(F)F)cc1Oc1cccnc1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc(OCc3cccnc3)c(C(=O)O)c2)c1,0,0,0,0
CC(=O)c1ccc(N2CCN(c3ccc(S(=O)(=O)NCCCN(C)C)cc3[N+](=O)[O-])CC2)cc1,0,0,0,0
COc1cccc(CN(Cc2nc3c(c(=O)[nH]2)COCC3)C(=O)CN2CCC(C(=O)c3ccc(F)cc3)CC2)c1,0,0,0,0
CC1(C)C(C(=O)c2cn(CC3CCOC3)c3ccccc23)C1(C)C,0,0,0,0
COc1cccc(OC)c1C1CC(F)(F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1OC,1,0,0,0
NS(=O)(=O)Oc1ccc(C(=O)OC2CCCCCC2)cc1,0,0,0,0
CC(C)(O)C=C1Oc2ccccc2C1N1CCCCC1,1,0,0,0
CCCC(=O)NC(c1ccccc1)c1ccc2cccnc2c1O,0,0,0,0
COc1ccc(N2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)cc1,0,0,0,0
COc1cc(CNC(=O)[C@@]2(Cc3ccccc3F)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc(OC)c1,0,0,0,0
c1ccc(Cn2nnc3c(N4CCN(Cc5ccc6c(c5)OCO6)CC4)ncnc32)cc1,0,0,0,0
CC1(C)c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2C(=O)c2c1[nH]c1cc(C#N)ccc21,0,0,0,0
O=C1NC(=O)C2(Cc3ccccc3N3CCN(c4ccccc4)CC32)C(=O)N1c1ccccc1,1,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3cccc(Cl)c3)c(F)c2)CC1,0,0,0,0
CC1(C)CC(=O)C(=CNc2ncccc2C(=O)O)C(=O)C1,0,0,0,0
O=C1C(Cl)=C(N2CCCCC2)C(=O)N1Cc1ccccc1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(=O)(=O)C(F)(F)F)cc1,0,0,0,0
O=C(O)[C@@H]1CCCN1CCOc1ccc(-c2ccccc2)cc1Sc1cccc(F)c1,0,0,0,0
COCC1=C(C(=O)OC(C)(C)C)N2C(=O)[C@H](OC)C2S(=O)(=O)C1,0,0,0,0
O=c1cc(N2CCOCC2)nc2n(Cc3ccccc3F)ccn12,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CC[S+]([O-])CC3)c(C)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(c1ccc(F)cc1Cl)N1CCn2c(nnc2-c2ccc(F)c(F)c2)C1,0,0,0,0
O=C(O)Cc1cc(C2CCN(S(=O)(=O)c3ccccn3)CC2)c2cc(F)ccc2c1,0,0,0,0
Nc1ncc([N+](=O)[O-])s1,0,0,0,0
c1csc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)c1,0,0,0,0
CCN(CC)C(=O)c1ccc(N(c2cccc(NS(C)(=O)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
CCCCOc1ccc(C2NC(=O)NC(C)=C2C(C)=O)cc1OCC,0,0,0,0
COc1ccccc1CNS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2,0,0,0,0
COCC1CCN(C(=O)C2CCC(=O)N(Cc3cccc(C(F)(F)F)c3)C2)CC1,1,0,0,0
COc1ccc(NC(=S)NN=Cc2ccc(F)cc2)cc1OC,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)C(C)C)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
CCCC(c1nnnn1C(C)(C)C)N1CCN(c2ccccc2)CC1,0,0,0,0
CCOC(=O)Cc1csc(NC(NC(=O)CC)(C(F)(F)F)C(F)(F)F)n1,0,0,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccc(C)o2)nc1,0,0,0,0
COc1ccccc1C(=O)NC(=Nc1nc2ccccc2o1)NC(=O)c1ccccc1OC,1,0,0,0
CC(=O)N1CCCc2cc(S(=O)(=O)NCc3cccc(C)c3)ccc21,0,0,0,0
O=c1[nH]nc(C(F)(F)F)c2nnn(Cc3ccccc3Cl)c12,0,0,0,0
Cc1noc(C)c1-c1cc(C(N)=O)c2c3ccc(C(C)(C)O)cc3n(Cc3ccccc3)c2c1,0,0,0,0
CCOC(=O)c1cc(-c2c(Cl)cccc2Cl)no1,0,0,0,0
Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3cccc(S(N)(=O)=O)c3)cc2c1C,0,1,0,0
CC(=O)N(C)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1,0,0,0,0
N#C[C@@H]1C[C@H](NCC(F)(F)F)CCC1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)F)cc2)n1,0,0,0,0
COCCn1cc(C)cc(Nc2ncnc3sc(C(N)=O)c(C)c23)c1=O,0,0,0,0
COc1ccc2c3c1O[C@H]1C(=O)CC[C@@]4(O)[C@@H](C2)N(C)CC[C@]314,0,0,0,0
COc1ccc(-c2c(-c3cc(C(C)(C)C)c(O)cc3O)noc2NC(C)=O)cc1,0,0,0,0
COCCN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4NC5CCC4CC5)cc3)cc21,0,0,0,0
COc1cc2c(=O)n(CCN(Cc3ccccc3)C(C)C)c3c4cc5c(cc4nnc3c2cc1OC)OCO5,0,0,0,0
CC(C)CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
CCOC(=O)c1cc(C)sc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1,1,0,0,0
COc1ccc(N2Cc3cccc(C(=O)NC(C)CCc4ccco4)c3C2=O)cc1,0,0,0,1
COc1cc2c(cc1OC)C1Cc3ccc(OC)c(O)c3CN1CC2,0,0,0,0
O=c1[nH]c(CC2CCCC2)nc2c1cnn2-c1cc(Cl)ccc1Cl,0,0,0,0
CCCCc1nc2ccn(Cc3ccccc3Cl)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CCN(CC)CCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
CCC(=O)N1COCC1Cc1ccccc1,0,0,0,0
CCCCOCC1CN(C(=S)SSC(=S)N2CCCOC(COCCCC)C2)CCCO1,0,0,1,0
Nc1nc(-c2ccco2)c2cnn(CCc3ccccc3)c2n1,0,0,0,0
CC1CCC/C1=N\Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1,0,0,0,0
CN(C)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[nH]n2)n1,0,0,0,0
O=c1oc2c3c4c(cc2c(C(F)(F)F)c1CCN1CCOCC1)CCCN4CCC3,0,0,0,0
Cc1cc(C(O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ncc1C#N,0,0,0,0
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCN([C@@H](CC3CC3)c3ccc(C(F)(F)F)cc3)[C@@H](C)C2)CC1,0,0,0,0
COc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1,0,0,0,0
Cc1ccccc1[C@@H]1C(C#N)=C(N)S[C@H]1C(=O)c1ccccc1,0,0,0,0
CC(C)N1C(=O)C(C)(C)c2cnc(Nc3ccccc3)nc21,0,0,0,0
O=C(CCl)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0,0,0,0
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCc4ncccn4)cc3)cc12,0,0,0,1
COc1cc(C(=S)N2CCOCC2)cc(OC)c1OC(=O)c1ccc(F)cc1,1,0,0,0
COc1ccc(NCc2nnc(-c3ccccc3)o2)cc1,0,0,0,0
COc1ccc(N2CCN(C(=O)COC(=O)c3ccco3)CC2)cc1,0,0,0,0
CCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc(OC)c2OC)C1=O,1,0,0,0
CC1CCC2C(=O)N3C(CCC(C)C3c3ccc(Br)cc3)C(=O)N2C1c1ccc(Br)cc1,0,0,0,0
O=C(C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1)N1CCN(c2ccccn2)CC1,1,0,0,0
Cc1sc2ccccc2c1C(=O)N1CCC(N2CCCC3(C2)CC(C)(C)OC3=O)CC1,0,0,0,0
Cc1nonc1C1CCCN1Cc1nc(-c2ccc(F)cc2F)oc1C,0,0,0,0
C=CCOC(=O)C(=O)/C=C/c1ccc2c(c1)Cc1ccccc1-2,0,1,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(N)c3)c12,0,0,0,0
O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCCC1,1,0,0,0
FC(F)(F)c1ccccc1OC1CCN(c2nc3ncccc3s2)CC1,0,0,0,0
CCC1CCCCN1C(=O)c1ccc(OC2CCN(C(=O)COC)CC2)cc1,0,0,0,0
COc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1ccccc1,0,0,0,0
CCOc1ncccc1C(=O)OCCN1C(=O)c2ccccc2C1=O,0,0,0,0
COc1ccc(-c2[nH]c(-c3ccc(O)cc3)nc2-c2ccccc2)cc1,0,0,0,0
Cc1cccc(/N=C/c2c(O)cc(C)oc2=O)n1,0,0,0,0
COc1ccc(CCN(C)CCCN2CCc3cc(OC)c(OC)cc3CC2=O)cc1OC,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(OC(C)C)c1,0,0,0,0
CCCCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,0,0,0,0
COC(=O)c1ccc(-c2cc(-c3ccc(C(F)(F)F)cc3[C@@H]3CC[C@H]4[C@@H](c5cc(C(F)(F)F)cc(C(F)(F)F)c5)OC(=O)N34)c(OC)cc2F)c(C)c1,0,0,0,0
Cc1ccc(NC(=S)NC(=O)C=Cc2ccco2)c(O)c1,0,0,0,1
COC1=CC(=CCc2ccc3c(Br)cc(Br)c(O)c3n2)C=CC1=O,0,0,0,0
COc1ccc(NC(=O)Nc2ccc(OCC(=O)N3CCOCC3)cc2)cc1OC,0,1,0,0
C[C@H](OP(=O)(O)O)[C@H]1NC(=O)CN(C)C(=O)[C@@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@H]2CCCCN2C1=O,0,0,0,0
CCCN(CCC)c1cc(N(CC2CC2)c2ccc(OC)cc2Cl)nc2ccnn12,0,0,0,0
Clc1cccc(-n2cc(-c3ccccc3NCc3ccnc4ccccc34)nn2)c1,0,0,0,0
COc1ccc(-n2c(CCN(C(C)=O)C(C)=O)nc3ccccc3c2=O)cc1,0,0,0,0
CC(C)(C)c1cc(F)c2c(=O)n(-c3cccc(-n4cc(C(N)=O)c(Nc5ccc(C#N)cn5)n4)c3CO)ncc2c1,0,0,0,0
Fc1cc(-c2ccccn2)cn2c(C(F)(F)c3ccc4ncccc4c3)nnc12,0,0,0,0
O=Nc1c(-c2c(O)[nH]c3ccc(NC(=O)C4CC4)cc23)[nH]c2ccccc12,0,0,0,1
Cc1cc(Nc2cccc(C(=O)O)c2)n2nc(C)nc2n1,0,0,0,0
CCOc1ccc2nc(SCC(=O)N3CCN(C(=O)c4ccco4)CC3)sc2c1,0,1,0,0
COCCNc1cc(NC(=O)N2CCCc3ccc(C=O)nc32)ncc1C#N,0,0,1,0
Cc1ccc(C(C)(C)C)c(OCCOCCN2CCCC2)c1,0,0,0,0
CCc1ccc(C(=O)Cc2cc3cccc(OC)c3oc2=O)cc1,0,1,0,0
CNC(=O)C(=O)C(C)NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccccc3)CC1=O)C2,0,0,0,0
CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]cc(C(C)C)c23)c1,0,0,0,0
Cn1cncc1-c1ccc2nc(-c3ccc(C4(N)CCC4)cc3)c(-c3ccccc3)n2c1,0,0,0,0
Cc1ccc2[nH]c(SCC(=O)c3ccc4c(c3)OCO4)nc2c1,1,0,0,0
CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(OC)cc1,0,0,0,0
CCC1CCc2c(sc3ncnc(N4CCOCC4)c23)C1,0,0,0,0
COc1cccc(NC(=O)Nc2nnc(CC(=O)Nc3ccccc3)s2)c1,1,0,0,0
CN(C)CCCn1c(=S)[nH]c2ccccc2c1=O,0,0,0,0
NCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Nc1nccc2cc(C[C@H](C(=O)O)N3CC[C@H](NS(=O)(=O)c4cnc(N5CCC5)s4)C3=O)c(Cl)cc12,0,0,0,0
O=C(Cc1ccc(F)cc1)NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1,1,0,0,0
CC(=O)c1c(O)n(-c2ccccc2)c(=S)n(C)c1=O,0,0,0,0
O=C(NC(NC(=O)c1ccccc1)c1ccccc1)c1ccccc1,1,0,0,0
Cc1ccc2[nH]c(-c3ccc(F)cc3F)cc(=O)c2c1,0,0,0,0
O=[N+]([O-])c1cccnc1N1CCCCC1,0,0,0,0
N#CCC(=O)NN=Cc1ccc(Sc2nc3ccccc3s2)o1,1,0,0,0
CCCOc1ccc2c(c1OC)CN1CCc3cc(OC)c(O)cc3C1C2,0,0,0,0
O=C(NCCCN1CCN(c2cccc(Cl)c2)CC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,1,0,0,0
CC(C)(C)c1[nH]nc2nc(-c3ccccc3)c(C#N)c(-c3ccccc3)c12,0,0,0,0
O=C(OCc1ccccc1)N1Cc2c([nH]c3ccccc3c2=O)C1c1ccc2c(c1)OCO2,0,0,0,0
N#CC1(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0,1,0
COc1ccc(NC2CS(=O)(=O)CC2NCc2ccco2)cc1,0,0,0,0
Cc1cc(C2CC2)c(-c2nc3c([nH]2)CN(C(C)C)CC3)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
OCCC1CN(Cc2cccn2-c2ccccn2)CCN1C1CCCC1,0,0,0,0
COc1ccc(Nc2c(-c3ccc(N4CCOCC4)cc3)nc3ncccn23)cc1OC,0,0,0,0
CCC1C2Cn3c(nc4ccccc43)C1N(C)O2,0,0,0,0
O=C(O)c1ccc(N/N=C/c2ccc(-c3ccccc3Cl)o2)cc1,0,1,0,0
N#Cc1c(-c2ccc(F)cc2)c2c([nH]c1=O)-c1ccccc1OC2,0,0,0,0
N=C(N)NS(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccco2)cc1,1,0,0,0
CCOC(=O)c1sc(NN=C2C(=O)CC(C)(C)CC2=O)c(C(=O)OCC)c1C,0,0,0,0
CCCCCOC(=O)C1=C(C)NC(=O)NC1c1ccc(OC)cc1,0,0,0,0
COc1cc(CNC2CCCCCCC2)cc(Br)c1OCC#N,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)c(C(F)(F)F)c1,0,0,0,0
CC(C)(Cc1nc2cc(OCc3ccc4ccccc4n3)ccc2n1Cc1ccc(N2CCCC(F)(F)C2)cc1)C(=O)O,0,0,0,0
CC(C)N(CC[C@H](c1ccccc1)c1cc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)ccc1O)C(C)C,0,0,0,0
COc1ccc(OC)c(-c2nnc3n2N=C(c2ccc(OC)c(O[C@@H]4CCOC4)c2)CS3)c1,0,0,0,1
COc1ccc(C2C=C3CN(C(=O)OC(C)(C)C)S(=O)(=O)C3CC2OC(=O)c2cccs2)cc1,0,0,0,0
Cc1sc2nc(SCC(=O)NCCO)n(C)c(=O)c2c1C,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCc1ccc(OC)c(OC)c1,0,0,0,0
O=NC(c1ccccn1)C1CC1c1ccccc1,0,0,0,0
c1ccc(COc2ccc(Oc3nc(N4CCCCC4)nc(N4CCOCC4)n3)nn2)cc1,1,0,0,0
Cc1ccc(N2C(=O)c3ccccc3C2=O)nc1,0,0,0,0
Cc1cc2nc(-c3cn4nc(C(C)(F)F)sc4n3)oc2cc1C,0,0,0,0
NC(=O)CC1NC2(C(=O)Nc3ccccc32)C2C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)C12,0,0,0,0
Nc1ncc(S(=O)(=O)NCc2ccccc2)cn1,0,0,0,0
Cc1ccc2cc(C#N)c(NCc3ccccc3)nc2c1,0,0,0,0
COc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@@H]3C(=O)N([C@@H]4CCN(Cc5ccccc5)C4)CC(=O)N23)cc1C,0,0,0,0
CCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2c(C)cc(Cl)cc2C)CC1,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)c2cn[nH]c2)C1,0,0,0,0
COC(=O)CC1Oc2ccc(C)cc2NC1=O,0,0,0,0
c1cncc(-c2csc(-c3ccncc3)n2)c1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C(F)(F)F)[nH]2)c(Cl)c1,0,0,0,0
CC[C@@H](Cn1c(=O)c(-c2cccc(OC)c2Cl)c(C)n(Cc2c(F)cccc2C(F)(F)F)c1=O)NC1CCCC1,0,0,0,0
O=C(CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCO2,1,1,0,0
CN1CCN(c2nc(N(C)C)oc(=O)c2C#N)CC1,0,0,0,0
COC(=O)[C@H](c1ccc(N)cc1)[C@H]1CCCCN1,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(CC#N)[nH]c1Cl,0,0,0,0
CCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
Cc1nc(NC(=O)CCC(=O)O)sc1C(=O)N(C)C,0,0,0,0
Cn1c(CN2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21,0,0,0,0
CCOC(=O)C(NC(=O)CC(C)C)(Nc1sc2c(c1C(N)=O)CCCC2)C(F)(F)F,0,0,0,0
CCCS(=O)(=O)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(S(C)(=O)=O)c4)cc23)c1F,0,0,0,0
C[C@H](c1nc2c(cnn2C2CCCC2)c(=O)[nH]1)N1CC(c2cccnc2)C1,0,0,0,0
O=S(=O)(NCc1cccnc1)c1ccc2ccccc2c1,0,0,0,0
COCCNC(=O)c1cc(-c2ccccc2)n(Cc2cc(C)no2)n1,0,0,0,0
Cc1ccc(C)c(NC2=C(OC(C)C)OC(=O)C2Cl)c1,0,0,0,0
CCOc1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,0,0,0,0
O=S(=O)(NN=Cc1ccccc1OCc1ccc(Cl)cc1)c1ccccc1,1,0,0,0
COCC(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,0,0,0,0
c1ccc2nc(N3CCN(C4CCCC4)CC3)ccc2c1,0,0,0,0
N=C(N)c1cccc(N2CCCCN(C3CCN(Cc4cccs4)CC3)C2=O)c1,0,0,0,0
Cc1cc(C)c(S(=O)(=O)N[C@@H](C)CNc2cccc3c2cnn3-c2ccc(F)nc2)c(C)c1,0,0,0,0
CCCOc1cc(N2CC(c3ccc(CC(C)NC(C)=O)cc3)C2)ccn1,0,0,0,0
Cc1cc2ccc(OCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc2oc1=O,0,0,0,0
Cc1ccncc1Oc1ccc(S(=O)(=O)Nc2ccc(F)cn2)cc1C#N,0,0,0,0
Cc1cc(-c2n[nH]c3c2C(=O)c2c(NC(=O)NN(C)C)cccc2-3)c(C)s1,0,0,0,0
COc1ccc(C2=NN(C(N)=S)C(c3ccco3)C2)cc1,0,0,0,0
O=S(=O)(NCc1ccc2c(c1)OCO2)c1ccc2oc3ccccc3c2c1,0,0,0,0
O=C(c1ccncc1)N1CCC2(CC1)CCN(c1ncccn1)CC2,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccccc1OC)NC2,0,0,0,0
CCCCCOc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1,0,0,0,0
CCOC(=O)N1CCc2c(sc(NCc3ccc(OCC)cc3)c2C(=O)Nc2ccc(OC)cc2OC)C1,1,1,0,0
Cc1ccc(C)c(CS(=O)(=O)c2cn(CC(=O)N(C(C)C)C(C)C)c3ccccc23)c1,0,0,0,0
O=S(=O)(Nc1ccc2c(c1)nc1n2CCN(Cc2ccccc2)C1)c1ccc(Cl)cc1,1,0,0,0
CCCCCOc1ccc(C(=O)c2cccc3ccccc23)c2ccccc12,0,0,0,0
Cc1cc(C)c(-c2nc3nc(N4CCC4)ccc3[nH]2)cc1C(=O)N1CCC(c2ccc(C#N)cc2)CC1,0,0,0,0
CCC(CO)Oc1cc(NCc2ccccc2)c2ncn(C(C)C)c2c1,0,0,0,0
CCCc1[nH]nc2c1C(c1cc(OC)c(OC)c(OC)c1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4cc5n(c4n3)C3(CCCC3)CNC5=O)nn2)CC1,0,0,0,0
CCc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)O)cc1,0,0,0,0
O=NC1C(=O)Nc2ccc(Cl)cc21,0,0,0,0
Cc1nc(-c2ccc(N3C(=O)C(=O)C(C(=O)CC(C)C)C3c3ccccc3N3CCOCC3)cc2)no1,0,0,0,0
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1,0,1,0,0
CC1(n2cnc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)CCN(C(=O)CO)CC1,0,0,0,0
COC(=O)C(Br)=C[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
COc1cc(Nc2cc(Oc3cccnc3)ccn2)cc(OC)c1OC,0,0,0,0
COc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2)cc1,0,0,0,0
O=C1CCCC(=NNC(=O)c2cc3ccccc3cc2O)C1,1,0,0,0
Cn1c(SCC(=O)c2cc(Cl)c(Cl)s2)nnc1-c1ccco1,0,0,0,1
Cc1ccc(C=CS(=O)(=O)NCC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)cc1,0,0,0,0
CC1CCC(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)CC1,0,0,0,0
COc1ccc(OC)c(Nc2cc(C)nc3nc(C)nn23)c1,0,0,0,0
COC1CCC(C)(N2CCC(N3C(=O)Cc4ccc(C)cc43)CC2)CC1,0,0,0,0
N#C[C@@H]1CCCC[C@H]1n1cc(C(N)=O)c(Nc2ccc(CN)cc2)n1,0,0,0,0
Cc1ccc(C)c(NCc2ccccc2CO)c1,0,0,0,0
CCOC(=O)C1CCCCN1C(=O)c1ccc2nc(Cc3ccc(OC)cc3)oc2c1,1,0,0,0
O=C(c1cc2c(=O)oc3ccccc3c2s1)N1CCN(c2ccccc2)CC1,0,0,0,0
Cc1ccc(OCC(=O)Nn2c(C)nc3ccccc3c2=O)c(C(C)C)c1,1,0,0,0
CCNc1cc(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn12,0,0,0,0
O=C(c1ccc(F)cc1)N1CCCC(c2nc(-c3ccncc3)no2)C1,0,0,0,0
Cn1nccc1-c1cc(Cl)ccc1Oc1ccc(S(=O)(=O)Nc2nncs2)cc1C#N,0,0,0,0
CNCC(O)COc1ccc(Cl)c2c1C1(CCCCC1)NC(=O)N2,0,0,0,0
N#CC1Cc2sccc2C2(CCN(Cc3ccccc3)CC2)O1,0,0,0,0
COc1ccc2c(c1OC)C(=O)N1C2SC(C)(C)C1C(=O)NC(C)C,0,0,0,0
N#CC(c1ccccn1)c1c(Cl)cnn(Cc2cccc3ccccc23)c1=O,0,0,0,0
O=C(Oc1ccc2c(c1)CCCN2C(=O)C(Cl)Cl)c1ccco1,0,0,0,0
COc1cccc(-c2nc(CCOc3cccc(C[C@@H]4C(=O)N(c5ccc(C(C)(C)C)cc5)[C@@H]4C(=O)O)c3)c(C)o2)c1,0,0,0,0
C=CS(=O)(=O)Nc1ccc2ccc3ncc(-c4ccccc4)cc3c(=O)c2c1,0,0,0,0
NC(=O)C1CCN(C(c2ccccc2Cl)c2nnnn2Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
O=C(c1ccc2cc(Oc3ccc(C(F)(F)F)cn3)ccc2n1)N1CCN(c2ccccn2)CC1,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccccc2)cc1)c1ccccc1,0,0,0,0
c1ccc(Cc2ccc(OCc3ccc(CN4CCCCC4)cc3)cc2)cc1,0,0,0,0
CC(C)(C)Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
COc1cc(C(=O)O)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2,0,0,0,0
CC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H]1CCC(=O)NCCC[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](Cc2ccccc2Cl)NC(=O)[C@H](COCc2ccccc2)NC1=O,0,0,0,0
N#CC(c1ccccn1)c1c(Br)cnn(Cc2cccc3ccccc23)c1=O,0,0,0,0
CN1CCN(c2nc3sccc3n3cccc23)CC1,0,0,0,0
Cc1ccc2c(c1)NC(=O)C(CC(=O)O)O2,0,0,0,0
CCNC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(CC)N2,0,0,0,0
COc1ccccc1-c1nc2c(N3CCN(C)CC3)nc(C)nc2n1C1CCOCC1,0,0,0,0
Cc1nc(C)c(-c2ccc(SCc3ccccc3F)nn2)s1,1,1,0,0
COc1cccc(N2CCN(C(=O)c3ccc(C[S+]([O-])c4ccccc4C)o3)CC2)c1,1,0,0,0
Cc1cc(Br)ccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,1,0,0,0
CCn1c(SCc2nc(=O)c3c(-c4ccccc4)csc3[nH]2)nnc1-c1ccc(Cl)cc1,1,0,0,0
CC(N)=C(C#N)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C,0,0,0,0
O=C(O)C[C@@H]1COc2cc3c(cc21)OC[C@@H](c1cccc(Br)c1)O3,0,0,0,0
CC(C)Oc1cccc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cc1ccc(NC(=O)C(NCc2ccccn2)c2ccccc2)cc1,0,1,0,0
O=C(Nc1ccc(-n2nccn2)nc1)N1CC2CC1CN2Cc1cccc(Oc2ccc(Cl)cc2)c1,0,0,1,0
Cc1ccc(F)c(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
Cc1[nH]c2ccccc2c1C(=O)C(C)OC(=O)c1ccc(NC(=O)CC#N)cc1,0,0,0,0
O=c1c2ccccc2nc(/C=C/c2c[nH]c3ccccc23)n1-c1ccc([N+](=O)[O-])cc1,1,0,0,0
Nc1cncc(Nc2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n1,0,0,0,0
CC(C)C(OC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1)C(C)C,0,0,0,0
CC(C)(C)OC(=O)N(CCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1)C[C@H](O)COc1ccc(O[Si](C)(C)C(C)(C)C)cc1,0,0,0,0
NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12,0,0,0,0
CC(C)(C(N)=O)n1cc(-c2cc(F)cc3c2-c2ccccc2[C@@]3(O)C(F)(F)F)cn1,0,0,0,0
O=C(NC1N=C(c2ccccc2F)c2cccc3c2N(CC3)C1=O)c1cc2ccccc2[nH]1,0,1,0,0
O=c1[nH]c2cc3cc(OCCCS(=O)(=O)C4CCN(CC5CCCCC5)CC4)ccc3nc2[nH]1,0,0,0,0
O=C(O)Cc1nn(Cc2snc3ccccc23)c(=O)c2ccccc12,0,0,0,0
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN2CCN(c3ccccc3OC)CC2)c1,1,0,0,0
NC(=O)c1cnc2ccc(-c3cnc4ccccc4c3)cc2c1Nc1cccc(C(F)(F)F)c1,0,0,0,0
O=C1CN(C(=O)CNC(=O)c2cccc(Cl)c2)c2ccccc2N1,0,0,0,0
O=c1c2ccc([N+](=O)[O-])cc2ncn1CCOc1ccccc1,0,0,0,0
Cc1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](CC(=O)NO)C1,0,0,0,0
O=C(CCC1CCCN(C(=O)Cc2ccc(F)cc2)C1)N1CCN(c2ccccn2)CC1,1,0,0,0
N#CC(CCCN1CCC(O)(c2ccc(Cl)cc2)CC1)c1cccc(Oc2ccccc2)c1,0,0,0,0
COc1ccc(OCc2cc(C(=O)NCc3cccc(C)n3)no2)c(Cl)c1,0,1,0,0
CC(C)(O)c1cccc2nn(CCc3ccc4ccccc4n3)c(=O)n12,0,0,0,0
O[n+]1ccc(C2CC2)cc1,0,0,0,0
N#Cc1cncc(-c2n[nH]c3ccnc(OC4CCOCC4)c23)c1,0,0,0,0
Oc1cccc(-c2ccc(-c3ccc(F)c(O)c3)cc2)c1,0,0,0,0
CCN(c1ccccc1)S(=O)(=O)c1cc2c3c(c1)CCN3C(=O)CC2,0,0,0,0
CCOc1cc(F)cc(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Nc1ncc(-c2ccc(C3(c4noc(-c5cocn5)n4)CCC3)cc2)cn1,0,0,0,0
Cc1ccccc1N1CCN(C(=O)NCc2cccc(Cl)c2)CC1,1,0,0,0
COCCNC(=O)CSc1nc2ccccc2nc1Cc1ccc(C)cc1,1,0,0,0
O=C1OC[C@@H](c2ccccn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1,0,0,0,0
NC(=O)c1cccc2c1C(=O)N(C1CCN(Cc3ccco3)CC1)C2,0,0,0,0
CC1(C)CC(=O)C(=C(O)CCCCC(O)=C2C(=O)CC(C)(C)CC2=O)C(=O)C1,0,0,0,0
Cc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)c3ccccc23)cc1,0,0,0,0
O=C(O)C1CCN(Cc2cnn(-c3ccccc3)c2-n2cccc2)CC1,1,0,0,0
COc1cccc(N2CCN(C(=O)c3ccc(C[S+]([O-])c4ccccc4Cl)o3)CC2)c1,1,0,0,0
Cn1cc(SCC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21,0,1,0,0
O=C(Nc1onc2c1CCCC2)c1ccc(Cl)cc1,0,1,0,0
COCCCN1C(=O)C(=O)/C(=C(/O)c2ccccc2)C1c1ccc2c(c1)OCO2,0,0,0,0
O=C1C2CNNC2NC(=S)N1c1cccc(Cl)c1,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3Cc3ccccc3)CC4)cn2)CC1,0,0,0,0
COc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1F,0,0,0,0
O=C(O)CNC(=S)N(Cc1ccc(F)cc1)C1CCCCC1,0,0,0,0
Nc1ncc(-c2cc(C3CN(C4CCOC4)C3)cc(C3CC3)n2)cc1OC(F)F,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@H](COP(=O)(O)O)Cc1ccc(OCc2ccccn2)cc1,0,0,0,0
CCOC(=O)C1CCCN(c2c(NCCCN(CC)c3ccccc3)c(=O)c2=O)C1,1,0,0,0
C=CC(=O)N1CCC(C2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)c(O)c4)nn32)CC1,0,0,1,0
Cc1c(-c2csc(-c3ccc(C(F)(F)F)cc3)n2)c(=O)n(C[C@H](N)c2ccccc2)c(=O)n1Cc1c(F)cccc1F,0,0,0,0
OC(COCc1ccc(Cl)cc1)CN1CCc2ccccc2C1,0,0,0,0
OC1(c2ccccc2)CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0,0,0,0
COc1ccccc1CNc1nc2[nH]c(C)c(Cl)c(=O)n2n1,0,0,0,0
Cc1nnc(N2CCOCC2)c2ccccc12,0,0,0,0
CC(C)(C)OC(=O)N1CCC(N(C(=O)c2ccc(-n3cnc(-c4ccncn4)c3)cc2)C2CC2)CC1,0,0,0,0
CC(C)(C)CS(=O)(=O)NCCc1cc(CCC(=O)O)cc(Cc2cccnc2)c1,0,0,0,0
CNS(=O)(=O)c1ccc(N(C)C)c(Nc2ncnc3[nH]cc(Br)c23)c1,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)n1cnc2ccccc21,0,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1ccco1,0,0,0,0
COC(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1,0,0,0,0
O=C(NO)c1c(CNS(=O)(=O)c2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)ccc2ccccc12,0,0,0,0
c1cc(-c2cc3c(cn2)[nH]c2ncc(-c4ccc(CN5CCCCC5)cc4)cc23)ccn1,0,0,0,0
Br.COc1ccc(-c2csc(=NCCO)n2-c2ccccc2)cc1,0,1,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5cccc(F)c5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1,0,0,0,0
O=C1NC2(CCCC2)N=C1c1ccc(F)cc1,0,0,0,0
Cc1ccc(C=NN2C(=O)C3C(C2=O)C2C=CC3C23CC3)o1,0,0,0,0
CNC(c1ccncc1)C(NC)c1ccncc1,0,0,0,0
CCOC(=O)CCc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O,1,0,0,0
N#CC1(S(=O)(=O)c2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)CCCC1,0,0,0,0
CCC(=O)OCCNc1cc(SCCC(=O)OC)c2nonc2c1[N+](=O)[O-],0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc21,0,0,0,0
CC(C)Cn1c(CN)c(-c2ccccc2)c2cc(C(=O)O)ccc2c1=O,0,0,0,0
COc1cc2nc3occc3c(OCCCCOc3ccccc3)c2cc1OC,0,0,0,0
O=C(O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O)C(=O)O,0,0,0,0
O=C(CCCCCN1C(=O)c2ccccc2C(F)(F)c2ccccc21)NO,0,0,0,1
Nc1ncnc2c1sc1cc(-c3cccc(C(=O)NCCO)c3)ccc12,0,0,0,0
O=S(=O)(Nc1ccc(F)cn1)c1ccc(Oc2cnc(CO)c(Cl)c2)cc1F,0,0,0,0
CCOC(=O)C1(CCOc2ccccc2)CCN(CCCn2cccn2)CC1,0,0,0,0
COc1ccc2c(c1)c(CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCc3ccc(Br)cc3)c2)on1,0,0,0,0
COc1cc(C=NNC(=O)c2csc3c2CCCC3)ccc1OCCN1CCOCC1,1,0,0,0
O=S(=O)(c1ccc(Br)c2ccccc12)N1CCCC1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccccc3)oc2c1,0,0,0,0
CC1=NN(c2ccccc2)C(=O)/C1=C/c1cc2cc(C)ccc2nc1N1CCCCC1,0,0,0,0
Cc1cc(-c2cnn(CC(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
CO[C@H]1C=CO[C@@]2(C)Oc3c(C)c(O)c4c(O)c(c(C=NN5CCN(C)CC5)c(O)c4c3C2=O)NC(=O)C(C)=CC=C[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C,0,0,0,0
N#CC1=C2C=CC=CN2CC1=O,0,0,0,0
CSc1ccc(C(=O)C2CCCN(Cc3ccc(N4CCNC4=O)cc3)C2)cc1,0,0,0,0
Nc1cc(=O)[nH]c(=S)n1-c1ccccc1,0,0,0,0
COCCn1c(SCC(=O)C=C2N(C)c3ccccc3C2(C)C)nnc1-c1ccncc1,1,0,0,0
CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NCCSCc2ccco2)cc1,1,0,0,0
CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
O=C(O)c1cccc(NC(=S)NN=Cc2cccc(O)c2)c1,0,0,0,0
CC1CCN(C(=O)C2CCC(=O)C2)CC1N(C)c1ncnc2[nH]ccc12,0,0,0,0
O=C(Nc1ccc2c(c1)nc1n2CCOC1)c1ccco1,0,1,0,0
Cc1cc(=O)nc(SCc2cccc(Br)c2)[nH]1,0,0,0,0
Cc1ccc(S(=O)(=O)N=C(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(Cl)cc2)cc1,0,0,0,0
CC(=O)NCCNc1nc(-c2ccccc2CN(C)C)nc2ccccc12,0,0,0,0
CSc1ccn(Cc2ccc(Cl)cc2)c(=O)n1,0,0,0,0
Cc1c(NC(=O)C(C)OC(=O)c2cc3c4ccccc4n(C)c3s2)c(=O)n(-c2ccccc2)n1C,1,0,0,0
O=C1CN=C(c2ccccn2)c2cc(Br)ccc2N1,0,0,0,0
COc1cccc(OC)c1C1CCC(=O)N1Cc1cccc(-c2ccccc2)n1,0,0,0,0
CC1CCC2(CC1)NC(=O)N(Cc1cccc(C(F)(F)F)c1)C2=O,0,0,0,0
CC(C)Cn1cnc2c(NCCCCCCC(=O)NO)nc(NCc3ccccc3)nc21,0,0,0,0
O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1CO,0,0,0,0
N=C(NCc1ccc(Cl)c(Cl)c1)NC(=O)c1nc(Cl)c(N)nc1N,1,0,0,0
COc1ccc(C=NN=C2SC(CC(=O)O)C(=O)N2c2ccc(O)cc2)cc1,0,0,0,0
Cc1ccnc(C(=O)c2[nH]c3ccc(OC(F)(F)F)cc3c2CC(=O)O)c1,0,0,0,0
CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12,0,0,0,0
CCOC(=S)SCC(=O)Nc1nccs1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccccc3F)C2)nc(C)c1F,0,0,0,0
COc1ccc(S(=O)(=O)N2CC(=O)Nc3ccccc32)cc1Cl,0,0,0,0
Cc1cccc(-c2noc(-c3ccno3)n2)c1,0,1,0,0
CC(C)NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
CC12C(=O)Nc3cc(Cl)ccc3C(=O)N1C1c3cc(Br)ccc3OCC1C2c1ccccc1,0,0,0,0
N=C(N)c1ccc(N)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(C)C[C@@H]4CCCO4)ncc3Cl)C2)cc1,0,0,0,0
CN(CC(C)(C)N1CCc2c(-c3cnc(N)nc3)nc(N3CCOCC3)nc21)S(C)(=O)=O,0,0,0,0
O=c1oc2ccccc2c(O)c1C1c2ccccc2Oc2c1c(=O)oc1ccccc21,0,0,0,0
CCCCC(CC)CNC(=O)CC1Nc2c3ccccc3nc(=S)n2C1=O,0,0,0,0
CC(C)(C)C(=O)N1CCN(CCN2C(=O)c3cccc4cccc(c34)C2=O)CC1,0,0,0,0
O=C(c1cc(COc2ccccc2)on1)N1CCCC(CN2CCOCC2)C1,0,0,0,0
OCC1CCCCN1CCNCc1c[nH]nc1-c1cccc2ccccc12,0,0,0,0
CC1(C)CC(n2ncc3c(cnn3CCN3CCOCC3)c2=O)CC(C)(C)C1,0,0,0,0
O=C(O)CCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1,0,1,0,0
CCn1c(S)nnc1-c1csc(-c2ccc(Cl)cc2)n1,1,0,0,0
Cn1cnc2cc(-c3ccc(N4CC[C@H](O)C4)cc3)nc(N[C@@H]3CCOC3)c2c1=O,0,0,0,0
N/C(=N\OC(=O)COc1ccc(Cl)cc1Cl)c1ccncc1,0,1,0,0
COc1ccc(N2C[C@@H](C)N[C@@H](C)C2)cc1NS(=O)(=O)c1ccc(-c2ccco2)cc1F,0,0,0,0
CC(=O)c1ccc2c(c1)N1CCC[C@H](NC(=O)C(F)(F)F)[C@H]1c1ccccc1O2,0,0,0,0
Nc1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccccc3C(F)(F)F)[nH]c2=O)cc1C,0,1,0,0
N=C(N)NC(=O)c1ccc2c(c1)C1(CC1)c1ccccc1-2,0,0,0,0
COc1ccccc1N1CCN(S(=O)(=O)CCNC(=O)Cc2ccc(Cl)cc2)CC1,1,0,0,0
CCCCCCOc1ccccc1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
COc1cc2c(cc1O)C1Cc3ccc(OC)c(O)c3CN1CC2,0,0,0,0
CCC[C@@H]1NCc2ccccc2Sc2ccccc2CNC(=O)[C@@H](Cc2ccccc2)NC(=O)CN(C)C1=O,0,0,0,0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(NC4CCC(C(=O)NO)CC4)ccc3OCC)nc12,0,0,0,0
NCC(=O)N1CCn2c3c(cccc3c3c4c(c5c6ccccc6[nH]c5c32)C(=O)NC4=O)C1,0,0,0,0
O=C(c1ccc(F)c(F)c1)N1CCC2(CC1)NCCc1nc[nH]c12,0,0,0,0
Cc1nc(N)sc1C(=O)NN,0,0,0,0
CCCCc1ccc(NC(=O)N2CCNC(=O)C2CC(=O)Nc2ccsc2C(=O)OC)cc1,1,0,0,0
CCN(CC)CCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O,0,0,0,0
Cn1c(-c2ccccc2)c(O)c(=O)c2ccccc21,0,0,0,0
CC1=NCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-],0,0,0,0
CC(C)(C)NC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
CCOC(=O)c1nnn(-c2nonc2-n2cccc2)c1CN1CCC(C)CC1,0,0,0,0
CCN(CC)C(=O)OC/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
Cc1cccc(C2=NCCCC2)c1,0,0,0,0
Nc1ncnc(N2CCN(C(CN3CCCCC3)c3cccc(C(F)(F)F)c3)CC2)c1-c1ccc(F)cc1,0,0,0,0
CCCC[C@H]1CN(CC2CCC(OCC)CC2)C(=O)OC12CCN(C1C[C@@H]3CN(C(=O)c4c(C)ccnc4C)C[C@@H]3C1)CC2,0,0,0,0
Cc1cccc(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c1C,0,0,0,0
CCc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3c(c2Cl)SCC3)cc1,0,0,0,0
CC1CN(Cc2ccco2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1,0,0,0,0
NCC1CCN(c2cccc(C(=O)c3cccnc3N)n2)C1,0,0,0,0
COC(=O)C1=C(C)NC(=O)N(C(=O)NCCCN2CCC3(CC2)C(=O)Oc2ccccc23)C1c1ccc(F)c(F)c1,0,0,0,0
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,1,0,0,0
Cc1ccc(C)c(S(=O)(=O)n2cnc3ccccc32)c1,0,0,0,0
CCCc1nc2ccccc2n1C(F)(F)C(O)c1ccc(-c2ccccc2-c2nn[nH]n2)cc1,0,0,0,0
CN(C)C(=O)N1CCc2nc(NCC(F)F)c(N3CCC(Oc4ccc(F)cc4F)CC3)nc2C1,0,0,0,0
CN(Cc1cc(Br)cc(Br)c1N)C1CCCCC1,0,0,0,0
Cc1ccc(S(=O)(=O)NC(N)=NCCc2ccc(Cl)cc2)cc1,0,0,0,0
CN(C)Cc1cc(C(C)(C)C)cc(CNC2CCCCC2)c1O,0,0,0,0
NCC(O)CN1CCN(Cc2ccccc2)CC1,0,0,0,0
CC(C)(C)c1cc(C(=O)CCN2CCOCC2)cc(C(C)(C)C)c1O,1,0,0,0
Clc1ccc(-c2cc(-c3ccc(Br)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
CCOc1ccc(CNS(=O)(=O)c2c(C(=O)N3CCCCCC3)c(C)n(C)c2C)cc1OC,0,0,0,0
CCN(CC)CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)OC(C)(C)C,0,0,0,0
COc1cccc(Nc2sc(C(=O)c3ccc4c(c3)OCO4)c(N)c2S(=O)(=O)c2ccccc2)c1,1,0,0,0
CCC(=O)c1ccc(N2CCCC2)c(F)c1,0,1,0,0
Cc1cccc(C)c1N(Cc1ccccc1F)S(C)(=O)=O,0,0,0,0
COc1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)cc2)cc1,1,0,0,0
CSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4,0,0,0,0
CC(C)n1ncc2c1C(=O)NC1(CCN(C(=O)C3=CC4NC=CC4N=C3)CC1)C2,0,0,0,0
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2oc(CN3CCCC3)cc2c1,0,0,0,0
COc1ccc(Cc2nc(-c3ccc(Cl)cc3)no2)cc1,0,0,0,0
Clc1ccccc1CNCC1CCC(CNCc2ccccc2Cl)CC1,0,0,0,0
Cc1nc2ccc(NCCN(C)C)c3c(=O)c4ccccc4n1c23,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(F)cc4F)cc(C)c3CC[C@@H]12,0,0,1,0
CS(=O)(=O)CC(=O)N(CCN1[C@@H]2CC[C@H]1CC(c1cccc(C(N)=O)c1)C2)CC1CCC1,0,0,0,0
Clc1ccc(OCC2=NCCN2)cc1Cl,0,0,0,0
CNC(=O)C(=O)NCC(c1cccs1)S(=O)(=O)c1ccc(F)cc1,0,0,0,0
CC(C)CC1(C(=O)O)C=CCN1C(=O)c1ccccc1,0,0,0,0
N#C[C@@H]1CCCC[C@@H]1n1cc(C(N)=O)c(Nc2ccc(S(=O)(=O)C(F)(F)F)cc2)n1,0,0,0,0
COc1cc(C=NNC(=O)c2cccnc2)ccc1OS(=O)(=O)c1cc(C)ccc1C,1,0,0,0
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)C5CNC(=O)C5)C4)c3C2)cc1C(F)(F)F,0,0,0,0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(OC(F)(F)F)cc1,0,0,1,0
Cc1ccc(S(=O)(=O)NN2C(=O)C(=Cc3cccnc3)SC2=S)cc1,0,0,0,0
N#Cc1cccc(-c2ccc(C(NCc3nc4cc(Cl)c(F)cc4[nH]3)C3CCN(C(=O)OCc4ccccc4)CC3)cc2)c1,0,0,0,0
CC(C)N1CC(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O,0,0,0,0
COc1cc(CNC2CCCCCCC2)ccc1OCC(N)=O,0,0,0,0
Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cncnc21,0,0,0,0
CSc1nc(Cl)cc(N2CCOCC2)n1,0,0,0,0
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Cl)s2)cs1,1,0,0,0
Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccco1,1,0,0,0
CCCCCCNC(=O)Oc1cccc(CN(CCC)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
O=C(O)COc1ccc(OCCNC[C@H](O)COc2ccccc2)cc1,0,0,0,0
O=S(=O)(NCCc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1,0,0,0,0
CC1=C(C(=O)OCC2CCCO2)C(c2ccccc2OC(C)C)C2=C(CC(c3ccco3)CC2=O)N1,1,0,0,0
COc1ccc(CN(C2CCCCC2C)S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)cc1OC,1,0,0,0
Cc1nnc(SCc2nc3ccccc3s2)n1-c1ccccc1,1,1,0,0
CCOC(=O)N1CCN(Cc2ccccc2Cl)CC1,0,0,0,0
CC(C)CCn1cnc2c([nH]c3cccc(Cl)c32)c1=O,1,0,0,0
Cc1nc(NCC2CCCN(C(=O)c3ccc[nH]3)C2)cc(-c2ccc3ncsc3c2)n1,0,0,0,0
COc1ccc(CCNC(=O)CCc2c(C)nc3cc(-c4ccccc4)nn3c2C)cc1OC,1,0,0,0
CSc1ccccc1OC1CCN(Cc2ccccc2)CC1,0,0,0,0
CCC(=O)Nc1cccc(C(=O)OCC(=O)c2ccccc2Cl)c1,0,1,0,0
COc1ccc(-c2nc(C)c(COc3ccc4c(c3)OCC4CC(=O)O)s2)cc1,0,0,0,0
Cn1cc(-c2cc(F)c3nnc(Sc4ccc5ncc(N6CCC7(CCOCC7)C6)cc5c4)n3c2)cn1,0,0,0,0
COc1cc(OC)cc(-c2c(-c3ccc(F)cc3)c3cc(-c4ccc5[nH]ccc5c4)ccc3n2C)c1,0,0,0,0
CCC(C(=O)O)C1CCc2cc(OCCc3nc(-c4ccccc4)oc3C)c(-c3ccc(Cl)cc3)cc21,0,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4cc(F)ccc43)CC2)ccc1C,0,0,0,0
O=c1[nH]c2cc(Cl)cnc2c(O)c1Oc1cccc(-c2ccccc2)c1,0,0,0,1
COc1ccc(-c2ccc(Cn3c(CC(C)(C)C(=O)O)c(SC(C)(C)C)c4cc(OCc5cc(C)n(C)n5)ccc43)cc2)cn1,0,0,0,0
CC(=O)c1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
Cc1ccccc1C(c1ccccc1C)N1CCC(O)(c2ccccc2)CC1,0,0,0,0
Cc1ccsc1C(=O)OCc1nc2ccccc2c(=O)[nH]1,0,0,0,0
CC(C)OC(=O)N1[C@@H]2CC[C@@H]1CC(Nc1ncnc(Nc3ccc(S(C)(=O)=O)cc3F)c1[N+](=O)[O-])C2,0,0,0,0
CCOC(=O)C=C1SCC(=O)N1CC(=O)Nc1ccc(C(C)C)cc1,1,0,0,0
CSc1nc(-c2ccnc(NC3CCCCC3C)c2)c(-c2ccc(F)cc2)[nH]1,0,0,0,0
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(c2cccc3ccccc23)CC1,0,0,0,0
COc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(C)c1,0,0,0,0
COCCOc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1,0,0,0,0
CCN1C(=O)NC(c2cccc(F)c2)C(C(=O)OC)=C1C,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)CC(C)C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1,0,0,1,0
C#CCOCCOc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
Fc1ccc(Nc2ncncc2-c2ccoc2)cc1,0,0,0,0
CCOc1ccc(-c2nc3ccc(C4=NNC(=O)CC4CC)cc3o2)cc1,0,0,0,0
CSc1ccc(-c2nc3cccc(C)n3c2Nc2ccc3c(c2)OCO3)cc1,1,0,0,0
CC(C)CNC(=S)N[C@H]1CCCN2c3cc(Cl)ccc3Oc3ccccc3[C@H]12,0,0,0,0
Clc1cccc2sc(N3CCCCC3)nc12,0,1,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c2c1,0,0,0,0
CC(C)OC(=O)CN1C(=O)C(C)(C)Oc2ccc(C(=O)NC(C)(C)C)cc21,0,0,0,0
CCn1c(=N)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21,1,0,0,0
CCOC(=O)c1nc(NNC(C)=O)sc1C,0,0,0,0
CNCc1cc(OC)c2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1nc2c(s1)C(=O)C=C(NCCN(C)C)C2=O,0,0,0,0
CCn1nc(C)c(/C=N\NC(=O)c2ccc3c(c2)OCO3)c1C,0,1,0,0
COc1ccc(CCNC2CCC(c3ccccc3)CC2)cc1,0,0,0,0
COc1cc(C2CC(=O)Nc3cc4c(cc32)OCCO4)cc(OC)c1O,0,0,0,0
c1ccc(CN2CCC(Nc3ccc4[nH]ncc4c3)CC2)cc1,0,0,0,0
Cc1noc(NC(=O)N2CCC3(CC2)CC(c2ccc(C(F)(F)F)cc2)C3)c1C,0,0,1,0
COc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC)c(O)c2)cc1O,0,0,0,0
CCOC(=O)C1CCC(N(C(=O)c2cc(Cl)c(N)c(Cl)c2)C2CC2)CC1,0,0,0,0
COc1cc(C(=S)N2CCCC2)ccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1,0,0,0,0
CCOc1ccc(NC2=NC(=O)NC(=O)C2)cc1,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(C(C)C)cc2)nc2ccc(F)cc12,0,0,1,0
CC(C)CCOc1ccc(C(=O)N2CCN(c3ncccn3)CC2)cc1,1,0,0,0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2ccc(F)cc2)cc1,0,0,0,0
COc1cc(OCc2csc(C3(c4ccc(C)cc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](/C=C/c3ccc(-c4ccc(F)cc4)cn3)[C@H]12,0,0,0,0
COc1cccc(C(=O)C2CCCN(C(=O)c3ccccc3Cl)C2)c1,0,0,0,0
CC(C)Cc1onc(-c2nc(-c3ccc(CN4CC(C(=O)O)C4)cc3)no2)c1C(F)(F)F,0,0,0,0
COCCNc1nc(Cl)c(C#N)s1,0,0,0,0
CN(C)C1CCN(c2nc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)ns2)CC1,0,0,0,0
CCOC(=O)CCCn1c(=O)oc2cc3ncnc(Nc4ccc(O)cc4)c3cc21,0,0,0,0
COc1ccc(/C=N\NC(=O)/C(=C\Nc2nccc(C)n2)NC(=O)c2ccccc2)cc1,0,1,0,0
CS(=O)(=O)c1ccccc1-c1ccc2c(c1)CCN2C(=O)c1cc(C(N)=O)nn1-c1ccc2onc(N)c2c1,0,0,0,0
CS(=O)(=O)NC(=O)c1ccc(OCC23CC4CC(CC(C4)C2)C3)c(C2CC2)c1,0,0,0,0
COc1ccc2c(c1)-c1c(sn(-c3ccccc3)c1=S)C(C)(C)N2,1,0,0,0
O=C1Nc2c(Cl)ccc(OCCO)c2C2(CCCCC2)N1,0,0,0,0
COc1ccc(C=NNC(=S)Nc2cccc(C(=O)O)c2)cc1OC,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(C(C)(C)C)cc3)c2=O)cc1,0,0,0,0
C#Cc1ncc(C)c(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)n1,0,0,0,0
COc1ccnc(OC)c1C1CC(C)C(=O)N1Cc1ccc2oc3ccccc3c2c1,0,0,0,0
c1csc(CNc2nc(-c3ccc4c(c3)OCO4)nc3ccccc23)c1,1,0,0,0
O=C1NCN(c2ccccc2)C12CCN(CC1CCCCC1)CC2,0,0,0,0
CCOCCCNC(=O)CN1C(=O)C(CC)Oc2ccccc21,0,0,0,0
Cc1ccc(CN2CCCCC2CCOc2ccc(-c3nc4ccc(C(N)=O)cc4[nH]3)cc2)cc1,0,0,0,0
COc1cc(NC(=O)Cn2c(-c3cncs3)nc3ccccc32)cc(OC)c1OC,1,0,0,0
O=C(O)c1ccc(CSc2nnc(-c3ccco3)[nH]2)cc1,0,0,0,0
CN[C@@H]1CCN(c2cc(C34CC5CC(CC(C5)C3)C4)nc(N)n2)C1,0,0,0,0
CCOc1ccc(-c2cc(C(=O)NC3CC3)c3ccccc3n2)cc1,0,1,0,0
N#Cc1c(-c2ccc(N3CCCCC3)cc2)ccn2c(CC(F)(F)F)cnc12,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1cccc(C)c1)C(F)(F)F,0,0,0,0
COCCn1c(=O)c(-c2cccc(Cl)c2)nc2cncnc21,0,0,0,0
CCN1C(=O)/C(=C2\SC(=S)N(CCCOC)C2=O)c2ccccc21,0,0,0,0
CCc1cccc(NS(=O)(=O)c2cc(-c3cnc(C)o3)ccc2OC)c1,0,0,0,0
CCOC(=O)COc1cc(N2C(=O)CSCC2=O)c(Cl)cc1Cl,0,0,0,0
Cc1ccc(N=C2NS(=O)(=O)c3cc(F)ccc3S2)cc1,0,0,0,0
O=C1Nc2ccc(S(=O)(=O)N3CCC3)cc2C1=O,0,0,0,0
C=CCN(CC=C)C(=O)[C@@]1(c2cccs2)C[C@H]1CN,0,0,0,0
CCOC(=O)C1(C#N)C(c2ccc(Cl)c(Cl)c2)C(C(N)=O)N2C=C(C(C)=O)C=CC21,1,0,0,0
COCCn1nnnc1C(c1cccs1)N1CCCC(C)C1,0,0,0,0
Cn1cc(-c2cnc3[nH]cc(-c4cc(N(CCO)c5ccccc5F)nc(N)n4)c3c2)cn1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(C)c1,0,0,0,0
CCN(CC)C(=O)C1=C(C)NC(=O)NC1c1c(F)cccc1Cl,0,0,0,0
CCN1CCC(n2cc(S(=O)(=O)c3c(Cl)nc4sccn34)c3cccnc32)C1,0,0,0,0
Cc1cc(Cl)c(S(=O)(=O)NC(C(=O)O)C(C)C)cc1OCC(=O)NC1CCCCC1,1,0,0,0
CC1(C)C(=O)Nc2ccccc2N1C(=O)CSc1nnc2c(Cl)cc(Cl)cn12,0,0,0,0
Cc1cccc(Cn2ccn3c(=O)cc(N4CCOCC4)nc23)c1,0,0,0,0
CCOc1cc(C(=S)N2CCCC2)ccc1O,0,0,0,0
CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCCC3CCCCC32)c1,0,0,0,1
O=C1NC(=O)N(CCNc2ncc(C(F)(F)F)cc2Cl)C(=O)C1C=NOCc1c(F)cccc1Cl,1,0,0,0
CCCC(=O)Nc1[nH]nc2ncc(-c3ccccc3)cc12,0,0,0,0
COC1CCCCC1Nc1cc(C)ccc1C,0,0,0,0
O=Cc1c(O)ccc2cc(-c3cccc(C(=O)N4CCOCC4)n3)ccc12,0,0,0,0
O=C1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21,1,0,0,0
COCCCNC(=O)CCN1C(=O)COc2ccc(C)cc21,0,0,0,0
Cn1c(-c2cn([C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]3O)nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1,0,0,0,0
CCOC(=O)C1C(=O)N=C(N2CCOCC2)NC1C(C)C,0,0,0,0
CCn1cc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)c2cc(F)c(N3CCN(C)CC3)cc21,1,0,0,0
COc1cc2ncnc(N3CC[C@@H](Oc4ccccc4C(C)C)C3)c2cc1OC,0,0,0,0
COc1cc(N2CCC(N)CC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1,0,0,0,0
Cc1c(OCC(=O)O)ccc(F)c1NCc1cc(-c2cccc(F)c2)ccc1F,0,0,0,0
CN1CC(=O)N2C(c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@H]2C1=O,0,0,0,0
COc1ccccc1-c1ccc(/C=C/[C@H]2[C@@H]3CCCC[C@H]3C[C@H]3C(=O)O[C@H](C)[C@@H]23)nc1,0,0,0,0
COC1CCCN(C(=O)c2ccc3nc(Cc4cccc(Cl)c4)oc3c2)C1,0,0,0,0
Cc1ccc2c(c1)N(C)CC(C1=NCCN1)O2,0,0,0,0
CC(=O)NC(c1cccc([N+](=O)[O-])c1)c1ccc2cccnc2c1O,0,0,0,0
CC(C)(C)n1nnnc1C(c1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1,1,0,0,0
Cc1c(C(N)=O)sc2ncnc(Nc3cccnc3OCC(F)F)c12,0,0,0,0
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(OC)c3)OC2=S)cc1,0,0,0,0
COC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)Cc1ccc(OC)c(OC)c1,1,0,0,0
Cc1cccc(-c2nnnn2Cc2cccnc2)c1C,0,0,0,0
O=C1N(c2cccc(Cl)c2)C(c2cccnc2)N2CCCN12,0,0,0,0
Cc1cc(C)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1,0,0,0,0
O=C1COc2ccc(C(=O)CSc3nnnn3-c3ccccc3)cc2N1,0,0,0,0
Cc1cc(C)c2c(N)c(C(=O)Nc3ccc(F)cc3)sc2n1,0,1,0,0
Cc1cccc(CN2CCN(C(=O)c3ccc(S(=O)(=O)NCc4ccco4)cc3)CC2)c1,1,0,0,0
c1ccc(Cn2nnnc2C(c2ccc3occc3c2)N2CCCN(C3CCC3)CC2)cc1,0,0,0,0
CSc1ccc(CNc2ccc(C)cc2)cc1,0,1,0,0
c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
CNC(=O)CN1Cc2ccccc2N(C2CCN(C3CCC(C(C)C)CC3)CC2)C1=O,0,0,0,0
O=C(O)c1ccccc1N1CCC(CN2CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1,0,0,0,0
CCCC(c1nnnn1Cc1ccccc1)N1CCC(C(N)=O)CC1.Cl,0,0,0,0
COc1cccc(Cn2c(=O)c(-c3cccs3)nc3cnc(N4CCOCC4)nc32)c1,0,0,0,0
Cc1ccc(C(=O)N2CCCN(C3(c4ccc(Oc5ccccc5)cc4)C(=O)NC(=O)NC3=O)CC2)c(NS(C)(=O)=O)c1,0,0,0,0
Cc1cccc(NC(=O)c2cnc3scc(C)n3c2=O)c1,0,1,0,0
CCN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2nc4ccccc4cc2C[C@@]3(O)[C@H]1C5,0,0,0,0
Nc1cccc2ccc(-n3c(-c4ccnc(NC5CCOCC5)c4)n[nH]c3=O)cc12,0,0,0,0
O=C(O)CC(CCCCCNS(=O)(=O)c1ccc(Cl)cc1)CCCCc1cccnc1,0,0,0,0
CCOc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(N3CCOCC3)cc2)cc1,0,1,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccccc1Cl,0,0,0,0
COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(OC)c(OC)c3)n2)cc1OC,0,1,0,0
CC(C)CNC(=O)C1N2C(=O)c3ccccc3C2SC1(C)C,0,0,0,0
CC(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
CCc1cccc(C)c1Nc1c(-c2ccc(N3CCOCC3)cc2)nc2ncccn12,1,0,0,0
CC1CCCCN1Cc1c(O)ccc2c(=O)c(-c3nc4ccccc4s3)coc12,1,1,0,0
Cc1cc(OCc2nnc(SC(C)C(=O)O)n2Cc2ccccc2)ccc1Cl,0,0,0,0
CC1=NNC2=NC3=C(C(=O)CC(C)(C)C3)C(c3cccc(O)c3)C12,0,0,0,0
CC(C)OC(=O)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1,0,0,0,0
O=C1CN(c2ccccc2Cl)C(=O)CN1c1ccccc1Cl,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2cccc(C)c2)C(C)C1,0,0,0,0
NC1CCN(C(=O)c2cc(Cc3c[nH]c(=O)c4cc(Cl)c(Cl)n34)ccc2F)CC1,0,0,0,0
COc1ccc(C=NNc2cc(=O)n(C)c(=O)n2C)cc1OC,0,0,0,0
NCCNc1ccc2n[nH]c(S(=O)(=O)c3cccc4ccccc34)c2c1,0,0,0,0
CC(C)(C)NC(=O)C(c1ccc(-c2ccccc2)cc1)N1C(=O)[C@H](CS)NC(=O)[C@@H]1Cc1ccc([N+](=O)[O-])cc1,0,0,0,0
N#Cc1nn(-c2cccc(C(F)(F)F)c2)c(=O)n(CCCN2CCCCC2)c1=O,0,0,0,0
Cc1cc(C)n(CCN(C)Cc2nc(Cc3ccccc3F)no2)n1,0,1,0,0
CNC(=O)CCc1ccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(OC(C)C)cc2)c1C,0,0,0,0
COc1ccc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)cc1F,0,0,0,0
CSc1ccc(C2CN(C)Cc3cc(Oc4ccc(CN5CCCCC5)nc4)ccc32)cc1,0,0,0,0
CCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3CC)ccc21,0,0,0,0
OCC1(NCc2nc(-c3ccc(C(F)(F)F)cc3)ccc2F)CCCCC1,0,0,0,0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCCC3,0,0,0,0
CCOC(=O)C1CCN(C(=O)c2ccco2)CC1,0,0,0,0
Cc1cc(S(=O)(=O)N2[C@H](CO)CC[C@@H]2c2ccc(F)cc2)cc(Cl)c1F,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccccc2F)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccccc3F)CC2)c1,1,0,0,0
COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1F,0,0,0,0
CCOC(=O)c1cc(CC)sc1NC(=O)CN1CCN(C(=O)C2CCCO2)CC1,1,0,0,0
S=c1[nH]nc(-c2ccccc2Br)[nH]1,0,0,0,0
CCOc1cc2c(cc1OCC)-n1cccc1C(c1ccc(F)c(OC)c1)NC2,0,0,0,0
O=C1CN(C(=O)CSc2ccc(-c3ccc(F)cc3)nn2)c2ccccc2N1,0,0,0,0
COc1ccccc1-c1ccc(/C=C2\C=CC(=O)O2)o1,0,1,0,0
CCCCC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1,1,0,0,0
CC(=NCC1CCCO1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O,1,0,0,0
CCCCC1CN(C(=O)OC2CCOCC2)CCC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2,0,0,0,0
Cn1c(=O)cc(SCC(=O)NCCCN2CCN(c3ccc(F)cc3)CC2)c2ccccc21,1,0,0,0
COc1cc2[nH]c(=S)n(Cc3ccc(C)o3)c(=O)c2cc1OC,0,0,0,0
OCCNc1ncnc2ccc(Br)cc12,0,0,0,0
CCOc1ccc(C(=S)N2CCCC2)cc1OCC,0,0,0,0
Cc1ccc(NC(=O)CSc2nnc(-c3cc(C)on3)o2)cc1,1,0,0,0
COc1ccc2c(c1)CCN1Cc3ccccc3CC21,0,0,0,0
CN1CCN(C2=Nc3ccccc3Oc3ccc(Cl)cc32)CC1,0,0,0,0
Cc1csc(N)n1,0,0,0,0
Cc1ccc2[nH]c(=O)c(-c3nc4cc(C)ccn4c3NCc3ccco3)cc2c1,0,0,0,1
O=C(c1ccccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCOCC1,0,0,0,0
Cc1ccc(Sc2cc(NCCCO)c([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
COc1ccc2c(c1)N=C(c1ccc(Cl)cc1)NC(c1cccs1)=N2,1,0,0,0
CC(C)OCCCNc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(F)c3)cn2CCN2CCC3(COC3)C2)CC1,0,0,0,0
CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCC4)ccc1c23,0,0,0,0
CN(C(=O)COC(=O)c1ccccc1C(=O)N(C)c1ccccc1)c1ccccc1,1,0,0,0
Nc1nc2c(ncn2[C@@H]2CN(C(=O)P(=O)(O)O)C[C@@H]2O)c(=O)[nH]1,0,0,0,0
CCONC(=O)c1ccc2c(c1)-c1nc(-c3ccc(C4(N)CC(C)(O)C4)cc3)c(-c3ccccc3)n1CO2,0,0,0,0
CCCc1c(OCCCCOc2ccc(-c3nn[nH]n3)cc2)ccc2c1ccn2CCC,0,0,0,0
Oc1ccc2c3c1O[C@H]1c4[nH]c5c(c4C[C@@]4(O)[C@@H](C2)N(CC2CC2)CC[C@]314)C[C@@]1(O)[C@H]2Cc3ccc(O)c4c3[C@@]1(CCN2CC1CC1)[C@H]5O4,0,0,0,0
O=C1Nc2ccccc2OC1CC(=O)N1CCOCC1,1,0,0,0
CCOc1cc2[nH]c(=S)n(CCCOC)c(=O)c2cc1OCC,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(N3CC4CC3CO4)c2)CC1,0,0,0,0
O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccccc1,1,0,0,0
O=C(CN1CC(c2ccccc2)CC1=O)N/N=C/c1cc(Br)ccc1O,1,0,0,0
O=c1cc(CN(c2cccc(Cl)c2)c2ccncn2)c2ccc(F)c(F)c2[nH]1,0,0,0,0
CC1=C(C)CC(C(=O)Nc2nc(-c3ccc(F)cc3)c(C)s2)C(C(=O)O)C1,1,0,0,0
Cc1c(-c2ccnc(N)n2)sc2ccc(C(N)c3cccc(Cl)c3)cc12,0,0,0,0
C/C(=N/NC(=O)c1cc2ccccc2cc1O)c1ccco1,1,1,0,0
COCCN1C(=O)C(O)=C(C(=O)c2ccco2)C1c1cccc(Oc2ccccc2)c1,1,0,0,0
CC(C)N(CCNC(=O)C1c2ccc(OCc3ccccc3)cc2CCN1C(=O)S(=O)(=O)N(C)C)C(C)C,0,0,0,0
Brc1cnc2nc(-c3ccc(CN4CCOCC4)cc3)[nH]c2c1N1CCN(Cc2cccnc2)CC1,0,0,0,0
Cc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1,0,1,0,0
O=C(O)CC(Cc1nc(CCCc2ccc3c(n2)NCCC3)no1)c1ccccc1,0,0,0,0
Cc1cccc(C(=O)N2CCN(C(=O)c3cccc(C)c3)C(C)C2)c1,0,0,0,0
NS(=O)(=O)c1ccc(N2C(=O)c3cccnc3C2=O)cc1,0,0,0,0
CO[C@]1(CO)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,0,0,0,0
CCOC(=O)c1sc2nc(CC(=O)OC)nc(N3CCN(c4ccccn4)CC3)c2c1C,1,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccc(F)cc12,0,0,1,0
N#Cc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(Cl)c3)cn2CCN2CCC2)CC1,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3-c3cnccn3)cc2F)cn1,0,0,0,0
CCN(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)C(C)(C(=O)N(C)C)c1ccccc1,0,0,0,0
COc1cc(C(=O)NC(=Cc2cn(C)c3ccccc23)C(=O)NCCN2CCOCC2)cc(OC)c1OC,1,0,0,0
CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCOC(=O)C[C@@H]21,0,0,0,0
[O-][N+]1(CCCNc2cc3ncnc(Nc4cccc(Br)c4)c3cn2)CCOCC1,0,0,0,0
COc1ccc(C2NC(=O)c3sc4nc(C)c(C(C)=O)c(-c5ccc(Cl)cc5)c4c3N2)cc1,0,0,0,0
CC1CCCC(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1C,1,0,0,0
COc1ccc(C=NNc2nc(NCc3ccco3)nc(Nc3ccc(OC)cc3)n2)cc1,1,0,0,0
CCOC(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)coc2c1,0,0,0,0
COC(=O)[C@H](c1ccc(N=[N+]=[N-])c(I)c1)[C@H]1CCCCN1,0,0,0,0
COc1ccccc1N1C(=O)/C(=C/c2ccc(O)c(Br)c2)OC1=S,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccc(F)cc21,0,0,0,0
Cc1nn(C(C)C(=O)N2CCN(c3ccc(Cl)cc3)CC2)c(=O)c2cc3occc3n12,1,0,0,0
CCOc1cc(C(c2c(C)[nH][nH]c2=O)c2c(C)[nH][nH]c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3nc4c(s3)CC(C)CC4)cc2)CC1,1,0,0,0
NC(=O)c1ccc(-c2cc(-c3cccc4c3OCO4)cnc2N)cc1,0,0,0,0
CCN1CCN(C2=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc3C2=O)CC1,0,0,0,0
COc1ccccc1C1C(C(=O)Nc2ccccc2)=C(C)N=C2NC(c3ccccc3)=NN21,1,0,0,0
N=C(N)SCCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21,0,0,0,1
Cc1ccc(C(=O)c2nc(NCc3ccccn3)nc3ccsc23)s1,0,0,0,0
COc1ccc(C(=S)N2CCCC2)cc1Br,0,0,0,0
CCOC(=O)C1CCCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)C1,0,0,0,0
COc1ccc(-c2csc(-c3ccncc3)n2)cn1,0,0,0,0
O=C1CNC(=S)N1c1nc(-c2ccccc2)cs1,1,1,0,0
CCc1ccc(CCOc2ccc(CC3SC(=O)NC3=O)cc2)nc1,0,0,0,0
Cc1ccc(-c2cnc(Nc3cccc(N4CCNCC4)n3)s2)cn1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)CC3)c(F)c2)c1C#Cc1ccc(NC)nc1,0,0,0,0
O=P(O)(O)C(Cc1cncc(-c2ccccc2)c1)P(=O)(O)O,0,0,0,0
Cc1ccc2sc3c(=O)[nH]c(CN(C)C)nc3c2c1,0,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3c(F)ccc(F)c3F)C2)nc(C)c1F,0,0,0,0
Fc1ccccc1COc1c2cnc3c(c2nn1-c1ccc(Cl)cc1)CCCC3,0,0,0,0
O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccsc3)c2)c1CCC(=O)O,0,0,0,0
CCN(CC)c1ccc(NC(=O)c2ccccc2F)cc1S(=O)(=O)Nc1ccccc1OC,1,0,0,0
O=C(O)/C=C/c1ccc(Cc2cccnc2)cc1,0,0,0,0
O=C(O)C=Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,0,0,0,0
Cn1c(-c2ccc(F)cc2)cnc1NCc1ccc(F)cc1,0,0,0,0
CC1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1,1,0,0,0
Cc1[nH]n(-c2ccccc2)c(=O)c1C=Nc1ccc(S(=O)(=O)Nc2nccs2)cc1,0,0,0,0
CCCN(C(=O)CC(=O)O)C1=C(C)C[C@@H](c2ccc(N)cc2)N([C@@H](C)c2ccc(OC)cc2)C1=O,0,0,0,0
c1ccc(OCCCCOc2cccc3cnccc23)cc1,0,0,0,0
CCn1c(-c2ccccc2SC)n[nH]c1=S,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2ccc(Br)s2)cc1,1,0,0,0
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2ccccc21,0,0,0,0
COCc1cc(C)nc(NC2CC(C)(C)NC(C)(C)C2)c1C#N,0,0,0,0
O=C1C=CC(=O)N1[C@@H]1CCC2(O)C3Cc4ccc(O)c5c4C2(CCN3CC2CC2)C1O5,0,0,1,0
COc1ccccc1N(C(=O)CCCl)C(C#N)c1ccccc1,0,0,0,0
CC1CC(C)(C)CC2(C1)NC(=S)N(c1ccccc1)N2,0,0,0,0
C/C(=N\NC(=S)NCc1ccccc1)c1ccccc1F,0,0,0,0
COc1cc2c(Nc3ccc4c(c3)OCO4)ncnc2cc1OCCCN1CCOCC1,0,0,0,0
COC(=O)[C@@]1(Cc2ccccc2)[C@H]2c3cc(C(=O)N4CCCC4)n(Cc4ccsc4Br)c3C[C@H]2CN1C(=O)c1ccccc1,0,0,0,0
Nc1ncccc1CN[C@H]1CC1c1ccccc1,0,0,0,0
Cc1ccccc1N(C(=O)Cc1cccs1)C(C(=O)NCC1CCCO1)c1cccnc1,1,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3cccc(C#N)c3)CC2)C1,0,0,0,0
CCOc1cc(C=C2NC(C)=C(C(=O)OC)C2=O)ccc1O,0,0,0,0
Cc1cc(Nc2nn(-c3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)n[nH]1,0,0,0,0
Cc1cc(-c2ccc(C)c(S(=O)(=O)NCCc3ccccc3)c2)on1,0,0,0,0
Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)c(Cl)c1,0,0,0,0
O=S(=O)(c1cc(Cl)c2oc3c(c2c1)CNCC3)c1ccccc1C(F)(F)F,0,0,0,0
O=S(=O)(c1cc(Cl)c(F)c(Cl)c1)N1[C@H](CO)CC[C@@H]1c1ccc(F)cc1,0,0,0,0
CC1(C)CC(=O)C2=C(C1)N=C1SCCC(=O)N1C2c1cccc([N+](=O)[O-])c1,0,0,0,0
CCCCCC(=O)c1ccc(OCCCN2CCN(C(=O)c3sccc3Cl)CC2)cc1,0,0,0,0
CCn1c(N)c(C(=O)NC)c(=O)c2ccc(C#CC(C)(O)c3ccsc3)nc21,0,0,0,0
CCn1c(SC)nc(O)c(C(c2ccc(OC)c(O)c2)c2c(O)nc(SC)n(CC)c2=O)c1=O,0,0,0,0
CNC(=O)Cn1cc(-c2cc3c(N[C@@H]4CN(c5ccc(Cl)cn5)C[C@@H]4C)c(C(N)=O)cnn3c2)cn1,0,0,0,0
Cc1cc(OCCN2CCN(c3ccccc3)CC2)nn1-c1ccc(Cl)c(Cl)c1,0,0,0,0
COc1ccc(CC2C(=O)OC(C)(C)OC2=O)c(Cl)c1OC,0,0,0,0
COc1ccc(C2C3C(=O)CC(c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1,1,0,0,0
COCc1c(-c2cc3cc(C)ccc3s2)c2c(N)ncnn2c1CN1CCNC(=O)C1,0,0,0,0
CC(C)C(=O)NC(=S)Nc1sc2c(c1C(N)=O)CCCC2,0,1,0,0
O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2ccc(F)cc2)CC1,0,0,0,0
COc1ccc(-c2onc(C)c2C)cc1S(=O)(=O)Nc1cc(Cl)ccc1C,0,0,0,0
COc1ccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1,0,0,0,0
COc1ccc(Nc2nccc(Oc3cccc4c3C(=O)CC4)n2)cc1,0,0,0,0
C[C@H](c1ccccc1)N1C(=O)O[C@](Cc2ccccc2)(C(=O)NCc2ccc(C(F)(F)F)cc2)C1=O,0,0,0,0
COc1cc(N2Cc3ccc(-c4cc(C)ccc4C)nc3C2=O)ccc1OCCN1CCCC1,0,0,0,0
COc1cc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc(OC)c1,0,0,0,0
CC(C)c1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
COc1ccc(NC(C)=O)cc1NC(=O)CN1CCN(C2c3ccccc3-c3ccccc32)CC1,1,0,0,0
COc1cc(C)c2[nH]ccc2c1C(N)(c1nc2ncc(C#N)cc2[nH]1)C(F)(F)F,0,0,0,0
Cc1ccc2nc(-c3ccccc3)cc(C(=O)NCC3CCCO3)c2c1,0,1,0,0
CCNc1cc(N2CCCC2)ccc1[N+](=O)[O-],0,0,0,0
CCOC(=O)CC1=Nc2ccccc2NC(=O)C1,0,0,0,0
CCN(C(=O)CSc1nc(=O)c(S(=O)(=O)c2ccc(C)c(Cl)c2)c[nH]1)c1cccc(C)c1,1,0,0,0
Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(=O)oc5ccccc5c4s3)CC2)c1,0,0,0,0
COc1cc(C)c(C)cc1S(=O)(=O)n1c(C)nc2ccccc21,0,0,0,0
Cc1ccccc1C1=NC(C(F)(F)F)(C(F)(F)F)c2c(n(-c3ccc(F)cc3)c(=O)[nH]c2=O)N1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSCC[C@@H](C(=O)N(CC(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O,0,0,0,0
c1ccc2cc(-c3csnn3)ccc2c1,0,0,0,0
O=[N+]([O-])c1cc(-c2ccc(C=Nn3cnnc3)o2)cc([N+](=O)[O-])c1,1,0,0,1
CN(C(=O)c1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1,0,1,0,0
c1ccc(C(c2ccccc2)C2CN3CCC2CC3)cc1,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3ccc(-c4conn4)cc3)CC2)C1,0,0,0,0
Cc1cccc(-c2nccnc2C2CN(c3nc4ccccc4s3)C2)c1,0,0,0,0
CCC(=O)N1CCc2cc(OC)c(OC)cc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
Cc1cc2ncn(-c3ncnc4scc(-c5ccccc5)c34)c2cc1C,0,0,0,0
COc1ccc(-n2nc(C#N)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4)c(=O)c32)cc1,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(OC)cc3F)c12,0,0,0,0
Cc1cc(-c2cn(C)nc2Cc2ccccc2)nn2c(C)nnc12,0,0,0,0
CCOC(=O)CCc1c(C)[nH]c(-n2[nH]c(C)c(CCO)c2=O)nc1=O,0,0,0,0
Cc1ccc(N(CC(=O)O)S(=O)(=O)c2cccc3nonc23)cc1,0,0,0,0
O=C(O)CSC(CCCc1ccc(Cl)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1,0,0,0,0
N#Cc1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(CN2CCCC2)CC1,0,0,0,0
CN1CC[C@H](Oc2cc(NCc3c(Br)ccc4c3OCO4)ccc2C(F)(F)F)C1,0,0,0,0
O=C1CC(N2CCN(Cc3ccc4c(c3)OCO4)CC2)C(=O)N1c1cccc2ccccc12,1,0,0,0
CCC1CCCCN1C(=O)CSc1nc(-c2ccc(OC)c(OC)c2)cc(C(F)(F)F)n1,1,0,0,0
CC(C)NC(=O)c1ccc2c(=O)n(Cc3ccco3)c(=S)[nH]c2c1,0,0,0,0
Fc1ccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)cc1,1,0,0,0
CCc1cccc2c1[nH]c1c2ccc2c(C=O)c[nH]c21,0,0,0,0
O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc2c(c1)OCCO2,1,0,0,0
COc1ccc(C(=O)N(C)C)cc1-n1nc2c(c1C(C)C)C(c1ccc(Cl)cc1C)N(c1cc(Cl)ccc1C)C2=O,0,0,0,0
O=C(/C=C/c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCC2)cc1,1,0,0,0
O=C(c1ccco1)N1N=C(c2ccc(Br)cc2)CC1(O)C(F)(F)F,0,0,0,0
Cc1nc2c(c(-c3ccn(CCF)n3)n1)C[C@H](C)N(C(=O)c1cccc(C(F)(F)F)c1Cl)C2,0,0,0,0
O=C(CO)N1N=C(c2cc(F)ccc2F)SC12CCOc1ccccc12,0,0,0,0
Cc1nn(-c2ccccc2)c2sc(-c3nnc(SCC(=O)O)o3)cc12,1,0,0,0
O=C(O)CC(C(=O)O)c1ccc(OCCCCOc2ccc(C(CC(=O)O)C(=O)O)cc2)cc1,0,0,0,0
CC(C)n1c(Cn2nc(-c3cccc(O)c3)c3c(N)ncnc32)cc2ccccc2c1=O,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C)C[C@H]3C)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CC#CC(=O)Nc1sc(Nc2ccc3ccccc3c2)nc1C(N)=O,0,0,0,0
CCCCC1(Cc2ccccc2[N+](=O)[O-])C(=O)N(c2ccccc2)N(c2ccccc2)C1=O,0,0,0,0
O=[N+]([O-])c1ccc2nc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)[nH]c2c1,1,0,0,0
Cc1[nH]c2ccccc2c1CC1CCCCN1Cc1ccc(/C=C/C(=O)NO)cc1,0,0,0,0
CCOC(=O)c1ccc(NS(=O)(=O)c2cc(-c3nnnn3C(C)C)ccc2OC)cc1,1,0,0,0
COc1ccc(OC)c(S(=O)(=O)N2CCC(CN3CCN(Cc4ccc(F)cc4)CC3)CC2)c1,0,0,0,0
CCCCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)cc(-c4ccccc4)oc3c2)c1,0,0,0,0
CCCOc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C2CC(c3cccs3)=NN2C(=O)CCCC(=O)O)cc1,1,0,0,0
O=NC(=O)/C=C/c1ccc2c(O)n(Cc3ccccc3)c(O)c2c1,0,0,0,1
CC1CCC(C(C)C)C(=O)/C1=C/c1ccc(N)cc1,0,1,0,0
CC(C)C(c1nnnn1C1CCCC1)N1CCc2ccccc21,0,0,0,0
NS(=O)(=O)c1ccc(-c2ccc(C=C3C(=O)NC(=S)NC3=O)o2)cc1,0,0,0,0
COc1ccc(NC2=NC(=S)N(c3cccc(C)c3)C23CCCCC3)cc1,0,0,0,0
CC(=O)OC1C(OC(=O)c2ccccc2)C2C(C)(C)CC(=O)CC2(C)C23CCC(C)(C2)C(O)CC13,0,0,0,0
CCCCC1=NC2(CCCC2)C(=O)N1Cc1cc(OC)c(OC)cc1Br,0,0,0,0
Cc1nnc2n1-c1sc(C#CCn3c(=O)n(C)c(=O)c4ccccc43)cc1C(c1ccccc1Cl)=NC2,0,0,0,0
CN(C)P(=O)(C(Cl)=C(N1CCCCC1)N1CCCCC1)N(C)C,1,0,0,0
C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@H]3[C@@H]1CC[C@@]2(O)Cc1ccc(O)cc1,0,0,0,0
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)NS(C)(=O)=O)c1ccc2c(c1)OCO2,0,0,0,0
COc1ccc(N2CCN(C(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)CC2)cc1,1,0,0,0
O=c1nc(C(F)(F)F)nc2ccccn12,0,0,0,0
COc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(C)=O)c3)nn2)cc1OC,1,1,0,0
CC(C)(C)OC(=O)C1CCC(n2cc(C(N)=O)c(Nc3ccc(S(=O)(=O)C(F)(F)F)cc3)n2)C(C#N)C1,0,0,0,0
Cc1cc(C(=O)O)ccc1-c1cc(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)ccc1F,0,0,0,0
C=Cc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CN(Cc1ccccc1F)C(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1,1,0,0,0
O=C1CC2(COC2)CN1c1ccc(C#Cc2ccccc2)cn1,0,0,0,0
Cc1cc(-c2ccccc2)c2nncn2n1,0,0,0,0
COCC(C)(C)N[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cc1cc(Nc2ccc(F)cc2)n2c(nc3ccccc32)c1C#N,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(Cl)cc3O[C@@H](C)C(=O)NCC(F)F)c12,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccccc3)cc2)nn1,1,0,0,0
CCOc1ccc(F)c(F)c1[C@@H]1C[C@@H](O)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCCCCCCNC(=O)NCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CN(CCC(F)(F)F)CC3,0,0,0,0
CCOC(=O)CC1(NC(=O)c2cc(COc3cncc(Cl)c3)on2)CCCCC1,1,0,0,0
COc1cccc(NC(=O)Nc2cccc(C)n2)c1,0,1,0,0
COc1cccc(CN(CCCN2CCN(C)CC2)C(=O)c2c[nH]c3nc(-c4cn[nH]c4)ccc23)c1,0,0,0,0
Cc1ccc(C)c(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
CCN(Cc1ccccc1)c1ccccc1,0,0,0,0
Cc1c(C(C)(C)C)s/c(=N\S(=O)(=O)c2cccc3ccccc23)n1C1CC1,0,0,0,0
Cc1sc(NN=C2CCCC2)nc1-c1ccccc1,0,0,0,0
c1cc(Cn2ccnn2)c2c(c1)C(c1ncc[nH]1)CC2,0,0,0,0
FC(F)(F)c1cccc(CO[C@@H]2C3CCN(CC3)[C@@H]2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
O=C(Nc1cccc2ccccc12)c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-],1,0,0,0
O=C(c1ccncc1)N1CC[C@](c2ccc(C(OCc3c(F)cccc3F)(C(F)(F)F)C(F)(F)F)cc2)(S(=O)(=O)c2ccc(F)cc2)C1,0,0,0,0
Fc1ccc(Cn2c(C3CCCN(Cc4ncco4)C3)nc3ccccc32)cc1,0,0,0,0
CN(C)c1cccc2c(S(=O)(=O)Nc3cnc(Br)cn3)cccc12,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C)CC3)c(OC(F)(F)F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CN1CCC(n2cnc(-c3ccc(F)cc3)c2-c2ccnc(NCCO)n2)CC1,0,0,0,0
COc1ccccc1-c1n[nH]c(=S)n1N,0,0,0,0
CC(=O)c1cccc(-n2c(CCC(=O)O)ccc2-c2cccs2)c1,0,0,0,0
NC(N)=NCCC[C@@H]1NC(=O)CNC(=O)C[C@@H](C(=O)O)NC(=O)[C@@H](c2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O,0,0,0,0
COCCN(c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1)c1ccccc1Cl,0,0,0,0
Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F,1,0,0,0
Cc1cc(SCc2cnc(-c3ccc(C(F)(F)F)cc3)s2)ccc1OCC(=O)O,0,0,0,0
CCC(=O)NC1CCc2cc(CCN3CCN(c4nsc5ccccc45)CC3)ccc21,0,0,0,0
Cc1ccc(NC2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)cc1C,1,0,0,0
CC1CC(N(C(=O)CCC(=O)ON)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1,0,0,0,0
Clc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1,0,0,0,0
COCCN1CC(=O)N2C(c3cccc(OC)c3)c3[nH]c4ccccc4c3C[C@H]2C1=O,0,0,0,0
Cc1cccc(-n2c(=O)c3ccccc3n(Cc3ccccc3)c2=O)c1,0,0,0,0
Cn1c(C=CN(Cc2ccccc2)c2ccccc2)c([N+](=O)[O-])c(=O)n(C)c1=O,0,0,0,0
CCCOC1CCCN(C(=O)c2ccc(OC3CCN(C(=O)COC)CC3)cc2)C1,1,0,0,0
CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cccnc5)cc34)cn2)CC1,0,0,0,0
CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C,0,0,0,0
COc1cc(Nc2ncc(F)c(NCC3CC(C)(C)N(C)C(C)(C)C3)n2)cc(-n2nnnc2C)c1,0,0,0,0
CCCC1Nc2cccc([C@@H]3C[C@H]3CNC(=O)NCC)c2O1,0,0,0,0
CN(C)CC(=O)Nc1ccccc1N1CCN(C(=O)C2(Oc3ccc(C(F)(F)F)cc3)CCCN(C(=O)c3cnccc3C(F)(F)F)C2)CC1,0,0,0,0
CC[C@@]1(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@H](c2ccc(Cl)cc2)N([C@@H](CNS(=O)(=O)CC)C2CC2)C1=O,0,0,0,0
COP(=O)(OC)C(Nc1ccc(Cl)cc1)c1ccccc1,1,0,0,0
CC(C)Nc1nc(-c2ccc(CCN3CCO[C@H](C)C3)cc2)cc2ncn(C)c(=O)c12,0,0,0,0
O=C(c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)N1CCCC1,0,0,0,0
N#Cc1sc2nc(C3CC3)cc(-c3ccccc3)c2c1N,0,0,0,0
Cc1ccccc1S(=O)(=O)NCCCN1CCC(O)(c2ccc(Cl)cc2)CC1,0,0,0,0
CC(=N)N1CCC(N(CC(N)=O)c2ccc3nc(C)n(Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1,0,0,0,0
CCOc1ccc2nc(Cl)c(CN(C(=O)c3cnccn3)C3CCCC3)cc2c1,0,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)C(Cc3ccc(Cl)cc3)CNC4=O)c2nc1N,0,0,0,0
O=C(c1ccc(F)cc1)C1CCN(CC(=O)N(Cc2nc3c(c(=O)[nH]2)COCC3)Cc2ccccc2F)CC1,0,0,0,0
CC(=O)NC1CCC(Nc2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)CC1,0,0,0,0
Cc1ccc(CSc2nnc(-c3ccccc3N)c(=O)[nH]2)cc1,0,0,0,0
CCC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C,0,0,0,0
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)O)c(C)c2)c(-c2ccncc2)c1,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCOC)C(=O)C(c1cccc(F)c1F)O2,0,0,0,0
CO/N=C(\C(=O)O)c1csc(NN=C(C)C)n1,0,0,0,0
O=C1/C(=C/c2ccc(O)c(Br)c2)OC(=S)N1c1ccc(F)cc1,0,0,0,0
C=CCC1(CC(C)(C)C)C(=O)NC(=O)NC1=O,0,0,0,0
Nc1nc(SC2c3cccc4cccc(c34)C2NS(=O)(=O)c2ccccc2)n[nH]1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(Cl)c12)C(=O)NCC(F)(F)F,0,0,0,0
NCCCC(Cc1cn(C2CCCCCC2)cn1)C(=O)O,0,0,0,0
NC(N)=Nc1nc(CSCC/C(N)=N/S(N)(=O)=O)cs1,0,0,0,0
c1cc(Nc2nccc(-c3cnc(NC4CCOCC4)nc3CC3CC3)n2)ccn1,0,0,0,0
Cc1nc(Cc2cccc3ccccc23)c2c(c1O)C(O)OC2=O,0,0,0,0
COCCC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1,0,0,0,0
Cc1cc(C(=O)N2CC[C@H]2c2nc(-c3ccccc3OC(F)(F)F)n[nH]2)c(-n2nccn2)cc1C,0,0,0,0
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](COP(=O)(O)O)Cc1ccc(OCc2cc(OCC)ccn2)cc1,0,0,0,0
NC(=O)c1ncn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1NC=O,0,0,0,0
COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(Cl)c(Cl)c1,0,0,0,0
COc1ccc(CNc2ncc(Cc3c[nH]c4ncc(C)cc34)cc2C)cn1,0,0,0,0
CC(C)CN1CCN(C(=O)CCc2nnc(Cc3c[nH]c4ccccc34)o2)C(C)C1=O,1,0,0,0
Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1,0,0,0,0
COC(=O)C1C(=O)/C(=C/NCC(C)N/C=C2\C(=O)CC(C)(C)C(C(=O)OC)C2=O)C(=O)CC1(C)C,0,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)NC(C3CC3)C3CC3)cn2)cn1,0,0,0,0
O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccncc1,0,1,0,0
COc1ccc(N=Cc2c(O)[nH]c3ccccc23)cc1OC,0,1,0,0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3cc(F)ccn3)cc2)CCOCC1,0,0,0,0
CC(C)CNC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl,0,0,0,0
O=c1oc2ccc3ccccc3c2c2c1SC(C(F)(F)F)C2,0,0,0,0
CCn1c(O)c(C=C2C=NN=C2c2ccc(C)cc2)sc1=S,0,0,0,0
NC(=O)N(O)CC#Cc1ccc(Cc2ccc(F)cc2)s1,0,0,0,0
Nc1nc2nccc(-c3cccnc3)n2n1,0,0,0,0
Cc1nn(-c2ccc(C#N)c(Cl)c2)c(C)c1Cc1cccc(C(N)=O)c1,0,0,0,0
O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3ccccc3Cl)cc2)cc1,0,0,0,0
CC(C)Oc1ccc(C2CC(=O)N(c3cccc(C=CC(=O)O)c3)C2=O)cc1,0,0,0,0
CC1Cc2ccccc2N1C(=O)COC(=O)c1ccc(Cl)nc1,0,0,0,0
Cc1[nH]nc2ccc(-c3cncc(OC[C@@H](N)Cc4ccc5c(c4)OC(F)(F)C(F)(F)O5)c3)cc12,0,0,0,0
CC(C)(C)OC(=O)N1CCC(c2c(C(=O)N3CCN(c4ccccc4)CC3)cnn2-c2ccccc2)CC1,0,0,0,0
C[C@]12C[C@H](c3ccc(OCCOCCOCCN=[N+]=[N-])cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,0,0,0,0
C=CCNC(=O)NC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O,0,0,0,0
Cc1c[nH]c2cnc(-c3cccnc3)cc12,0,0,0,0
C[C@@H]1CCN(c2ncc3ccccc3n2)CCN1C(=O)c1ccccc1-n1nccn1,0,0,0,0
Cc1ncoc1-c1nnc(SCCCN2CC3CCN(c4ccccc4OC(F)(F)F)C3C2)n1C,0,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4c(C)cccc43)CC2)ccc1C,0,0,0,0
CCOc1ccc(Cc2ccc(O)c([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c2)cc1,0,0,0,0
CNc1cc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc2cn1,0,0,0,0
CC(C)C(=O)Nc1ccc(Cl)c(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
O=C(/C=C/c1cn(C(Cc2ccccc2)c2nc3ccccc3o2)nn1)NO,0,0,0,1
Cc1cc(C)n2nc(C(=O)OCC(=O)c3cc(C)n(C)c3C)nc2n1,0,0,0,1
CCC(=O)N1CCc2cc(CNC(=O)Nc3ccccc3Cl)ccc21,1,0,0,0
CCOC(=O)c1c(C)nc2sc3c(=O)n(-c4ccc(C(C)=O)cc4)cnc3c2c1-c1ccc(OC)cc1,1,0,0,0
S=C(N/N=C/c1ccccc1)N1CCOCC1,0,1,0,0
COc1cccc(-c2nc3ccc(C4=NNC(=O)CC4C)cc3o2)c1,0,0,0,0
COCCN(C)c1ncnc(C)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccccc2)c1,0,0,0,0
COCC(C)Nc1nc(C)c(C(C)=O)s1,0,0,0,0
Cc1ccc(C(=O)C(C)OC(=O)c2ccccc2[N+](=O)[O-])cc1,1,1,0,0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)ccc1C(=O)c1c(F)cccc1F,0,0,0,0
COC(=O)c1onc(-c2c(OC)cc(OC)cc2OC)c1C(=O)OC,0,0,0,0
COc1ccc(Cl)cc1NC(=O)c1cn(C2CCCCC2)c(=O)c2c1c1ccccc1n2C,1,0,0,0
CN1C(=O)N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C2(CCN(C(=O)c3c(Cl)cccc3Cl)CC2)C1=O,0,0,0,0
Cc1ccc(OCCNCCCOc2ccccc2)cc1C,0,0,0,0
Cc1cccc2n1cc[n+]2CC1CC(c2ccccc2)(c2ccccc2)C(=O)O1,0,0,0,0
C=C(C)C(=O)Nc1cc(C#N)cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
Cc1c(Cl)cc(OC(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
CC1CC(=O)N(Cc2ccccc2)c2ccccc2N1C=O,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCCN(C)C)cc3)oc2c1,0,0,0,0
COc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3oc(C)c(OC)c3c2Cl)cc1,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)OC)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
Clc1cccc(Nc2ncc3c(n2)CCCC3)c1,0,0,0,0
CCCSc1nc2c([nH]c3ccccc32)c(=O)n1C,0,0,0,0
CCN(CC)CCNc1ccc2ncn3c4ccccc4c(=O)c1c23,0,0,0,0
Cc1csc2c(NC3CCN(Cc4ccccc4)CC3)ncnc12,0,0,0,0
CCC[C@H]1C(=O)NN=C(c2ccc3nc(-c4ccc(OCc5ccccc5)cc4)oc3c2)[C@H]1C,0,0,0,0
NS(=O)(=O)Oc1cccc(C(c2cccc(OS(N)(=O)=O)c2)n2cncn2)c1,0,0,0,0
O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nnc(-c2ccccc2)o1,1,0,0,0
COc1ccccc1C1NC(=O)NC(C)=C1C(C)=O,0,0,0,0
COC(=O)/C=C/c1ccc(-c2nc(-c3ccc(N(C)C)cc3)c(-c3ccc(N(C)C)cc3)[nH]2)cc1,0,0,0,0
COc1ccc(-c2nn3c(-c4ccccc4)nnc3s2)cc1OC,1,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccccc1C(F)(F)F,0,0,0,0
COc1ccc(CNC(=S)NN=Cc2ccc(OC)c(OC)c2)cc1,0,0,0,0
COc1ccccc1C(C)Nc1nc(-c2cccnc2)nc2ccccc12,0,0,0,0
COc1ccc(S(=O)(=O)N=C2C=C(C)C(=O)C(C)=C2)cc1,1,0,0,0
COc1ccc2nc3c(c(NCCNC4=CC(=O)c5c(O)cccc5C4=O)c2c1)CCCC3,0,0,0,0
CCc1nc(C)c2c(NC)nc3ccc(OC)nc3n12,0,0,0,0
CCn1cnnc1-c1cc(Cl)nc(Oc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1,0,0,0,0
Cc1ccc2c(Cn3cc(CSC(=S)N4CCN(C(=O)OC(C)(C)C)CC4)nn3)cc(=O)oc2c1,0,0,0,0
Cc1ccc(-c2nc3cn(-c4ccccc4)nc3c(=O)[nH]2)o1,0,0,0,0
Oc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
Nc1cc(N)c2nonc2c1[N+](=O)[O-],0,0,0,0
CCOC(=O)c1cccc(NC(=O)NCc2ccc3c(c2)CCN3C(=O)CC)c1,1,0,0,0
CCOC(=O)C1=C(CN2CCN(CC)CC2)NC(=O)NC1c1ccc(Cl)cc1,0,0,0,0
CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C1=CCNCC1,0,0,0,0
CCc1onc(-c2ccccc2)c1-c1ccccc1,0,0,0,0
O=C(Nc1ccc(SC(F)F)cc1)c1cc(-c2cccs2)on1,1,0,0,0
C[C@H](N)C(=O)N[C@H]1COc2ccccc2N(Cc2cccc3c2cnn3-c2ccccc2C#N)C1=O,0,0,0,0
CCC(Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4cccc(C)c4)sc3n2)CC1,1,0,0,0
CCCC1=C(C(=O)OCC)C(c2ccc(NC(C)=O)cc2)NC(=O)N1,0,0,0,0
CN1C(=O)c2ccccc2C(C(=O)O)C1c1cccc([N+](=O)[O-])c1,0,0,0,0
O=C(c1ccc(F)cc1)C1CCN(C(=O)NC2CCCCC2)CC1,0,0,0,0
CC(=O)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
COc1ccnc2sc3c(=O)n(C4CCCCC4)ccc3c12,0,0,0,0
COc1cccc(-n2nnc(-c3nc(-c4ccccc4F)no3)c2C)c1,0,1,0,0
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(OC)cc1,0,0,0,1
O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)N1CCCC1,0,0,0,0
COc1cc(-c2cnn(C)c2CO)ccc1Nc1cc2cc(-c3cnn(CC(C)(C)O)c3)ccc2cn1,0,0,0,0
CCOC(=O)c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)o1,1,0,0,0
COc1ccc(-n2c(=O)c3ccccc3n(Cc3ccccc3Cl)c2=O)cc1,0,0,0,0
Clc1ccc(-c2ccc3[nH]cc(CCN4CCCC4)c3c2)s1,0,0,0,0
COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(C(=O)NCCOCCNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1,0,0,0,0
COCCNC(=O)CN1N=C(c2ccc(OC)cc2)CCC1=O,0,0,0,0
CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(Cc3ccccc3)c2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1,1,0,0,0
CCC1(CC)C(=O)NC(=O)NC1=O,0,0,0,0
C=CC(C)(C)c1[nH]c2ccccc2c1C1=C(O)C(=O)C(c2c[nH]c3c(CC=C(C)C)cccc23)=C(O)C1=O,0,0,0,0
NCCCC(NC(=O)c1ccc(CNc2ccc3nc(N)[nH]c(=O)c3c2Cl)cc1)C(=O)O,0,0,0,0
OCC1(CCOc2ccccc2)CCN(CCCn2cccn2)CC1,0,0,0,0
CCC[C@@H](Oc1cccc(Cn2c(C)c(C(=O)c3ccc(Cl)cc3)c3ccc(OC(F)(F)F)cc32)c1)C(=O)O,0,0,0,0
Cn1c(=O)c(-c2ccccc2Cl)cc2cnc(NC3CCOCC3)nc21,0,0,0,0
CNc1nc(Cl)nc2c1ncn2[C@@H]1S[C@H](C(=O)NCCC(C)C)[C@@H](O)[C@H]1O,0,0,0,0
CC=Cc1ccc(OCCCCOc2ccccc2C(C)=O)c(OC)c1,0,0,0,0
NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1,0,0,0,0
COc1ccc(C(=O)C2C(=O)C(=O)N(c3ccc(-c4cccn4C)cc3)C2C2CCCCC2)cc1,0,0,0,0
OC(c1cccs1)c1nccc2ccccc12,0,0,0,0
CCCCN(Cc1ccncc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
CNC(=O)C1(N)CC(CO[C@H](C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)C1,0,0,0,0
COCCNc1cc(NC(=O)N2CCCc3cc(C(C)N(C)C(C)=O)c(C=O)nc32)ncc1C#N,0,0,1,0
COCC(=O)Oc1c(S(=O)(=O)c2ccccc2)c(C)nn1C(C)(C)C,0,0,0,0
O=C(CCl)Nc1nc(-c2ccco2)c(-c2ccco2)s1,0,0,0,0
Cn1cncc1CN(CCN(CC1CCCCC1)S(=O)(=O)c1ccccn1)c1ccc(C#N)cc1,0,0,0,0
OC(CN=c1sc2ccccc2n1CC(O)COc1ccccc1)COc1ccccc1,1,0,0,0
O=C(Nc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)o1)c1ccccc1,1,0,0,0
Cc1ccccc1OCCNCCCOc1ccccc1,0,0,0,0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCc1ccccc1Cl,0,0,0,0
CC1=CC(=O)CC2C1CCC(C)C21COC(c2ccoc2)C1=O,0,0,0,0
COc1ccccc1NC1=NC(CO)(CO)CS1,0,0,0,0
Cc1cccc(-c2nn(CC(=S)Nc3cccc(C#N)c3)cc2-c2ccc3ncccc3c2)n1,0,0,0,0
O=C1C2C(c3ccccc3)(C(=O)N1c1ccc(Cl)cc1)C2(c1ccccc1)c1ccccc1,1,0,0,0
O=C1CC(Nc2ccc(N3CCOCC3)cc2)C(=O)N1CCc1ccccc1,0,0,0,0
CC(=O)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
CC1(C)Nc2c(cc(-c3cccc4nccn34)c3c2CCC3)C(C)(C)C1=O,0,0,0,0
Clc1ccc(OCCN2CCCCC2)c(Cl)c1,0,0,0,0
Cc1ccc(O)c(CNCCNCc2cc(C)ccc2O)c1,0,0,0,0
O=c1[nH]c(Cc2ccccc2-n2cccc2)nc2c1cnn2C1CCOCC1,0,0,0,0
CC(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12,1,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)c3c(Cl)cccc3Cl)CC2)C(=O)N1,0,0,0,0
CC(C)C1=CC(=NS(=O)(=O)c2cccc([N+](=O)[O-])c2)C=C(C(C)C)C1=O,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C(=O)OC/C(O)=C(\C#N)c2nc3ccccc3[nH]2)c1C,0,0,0,0
Clc1cccc(-c2cc3nc4c(c(NCc5ccco5)n3n2)CCCC4)c1,0,1,0,0
CSc1nc2sc3c(c2c(=O)[nH]1)CCC3,0,0,0,0
CCCCNC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
CN(C)Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2,0,0,0,0
Cc1cc(C)n2nc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc2n1,0,0,0,0
COc1ccc(C(C)=O)cc1CN1C(=O)NC2(CCCCC2)C1=O,0,0,0,0
CCCOc1ncc(S(=O)(=O)N2CCN(CC)CC2)cc1-c1nc2c(CC)n(CCOC)nc2c(=O)[nH]1,0,0,0,0
CC(C)NC(=O)c1c(C(N)=O)nc2n1C1CC(C1)c1ccc(C#C[C@]3(O)CCN(C)C3=O)cc1-2,0,0,0,0
Cc1cnc(NC(=O)c2ccc3ncsc3c2)s1,0,1,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(-n2cccn2)nc1,0,0,0,0
C[C@@H](OC[C@@]1(c2ccc(F)cc2)CNC(=O)N1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,0,0,0,0
CC(CO)n1nc(-c2ccc3oc(N)nc3c2)c2c(N)ncnc21,0,0,0,0
C=CC(=O)Nc1cccc(-n2c(=O)cc(C)c3cnc(Nc4ccc(N5CC(C)N(C)C(C)C5)cc4OC)nc32)c1,0,0,1,0
N#Cc1ccc(N2N=C(c3ccc(C(=O)O)cc3)CC2c2ccc(F)cc2)cc1F,0,0,0,0
O=C(CC1C(=O)NCCN1Cc1ccc(-c2ccccc2)cc1)NCCCn1ccnc1,1,0,0,0
Cc1cccc(S(=O)(=O)NC2(c3ccc(-c4nnc5n4-c4cccnc4Nc4ccccc4-5)cc3)CCC2)c1,0,0,0,0
CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)OCC(=O)NC(=O)c3cccn3C)c2)CC1,1,0,0,0
O=S1(=O)C=Cc2cc(-c3nnnn3-c3ccc(Cl)c(Cl)c3)ccc2O1,0,0,0,0
CC1CCc2nn(CC(=O)Nc3ccc(F)cc3F)cc2C1,1,0,0,0
Cc1c(-c2ccccc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)C(O)c1cc(Cl)ccc1-2,0,0,0,0
Cc1cc(NS(=O)(=O)c2ccc(-c3ccccc3)cc2)no1,0,0,0,0
COc1ccc(C(=O)N2CCCC(N3CCN(c4ccccc4OC)CC3)C2)c(OC)n1,0,0,0,0
Fc1ccc(COc2c3cnc4c(c3nn2-c2ccc(Cl)cc2)CCCC4)cc1,0,0,0,0
O=[N+]([O-])c1cccc(S(=O)(=O)NCc2ccncc2)c1,0,0,0,0
O=S(=O)(NC1CCN(CCOc2ccccc2-c2ccccc2)CC1)c1cccnc1,0,0,0,0
CN(c1ccc(NS(=O)(=O)C2=CCCS2)cn1)[C@@H]1CCN(c2ncnc3[nH]ccc23)C1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccc(F)cc3F)nncc2c1-c1ccccc1F,0,0,0,0
CCC1=Nc2cc(C(=O)N3CCC(C)CC3)ccc2Sc2ccc(C)cc21,0,0,0,0
Clc1cccc(OCCNCCCOc2ccccc2)c1,0,0,0,0
CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CC(NC(=O)c1ccccc1)c1ccccc1)C(=O)[C@@]1(C)CO1,0,0,0,1
COc1ccc(S(N)(=O)=O)cc1C(=O)N1CCCC1,0,0,0,0
O=C1C=Cc2ccccc2C1=NNc1ccccn1,0,0,0,0
CC(=O)Nc1nc(-c2cccs2)cs1,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN(C=O)CC1,0,0,0,0
CCn1cnc2sc(C(=O)N3CCN(c4ccc(OC)cc4)CC3)c(C)c2c1=O,0,0,0,0
C[C@H]1[C@@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)OC(=O)N1CC1=C(c2cc(-c3ccc(C(=O)O)cc3C(F)(F)F)ccc2F)CCC(C)(C)C1,0,0,0,0
CC(=NNC(=S)NCc1ccccc1)c1ccc(C)o1,0,0,0,0
CC(=O)Oc1ccc(C2=NN(c3ccccc3)C(c3ccccc3)C2)cc1,0,0,0,0
Cc1coc2c(C)c3oc(=O)c4c(c3cc12)CCCC4,0,0,0,0
COc1ccccc1NC(=S)NCc1ccc2c(c1)cc(C)n2C,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC4CC4)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(C(F)(F)F)cc3)n2)cc1,0,0,1,0
CC1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1,0,1,0,0
CC(C)n1cc(-c2cc(-c3ccc(CN4CCOCC4)c(Cl)c3)cnc2N)nn1,0,0,0,0
Cc1ccnc(-n2c(-c3ccco3)nc3ccccc3c2=O)c1,0,0,0,0
CCCc1[nH]nc2c1C(c1ccc([N+](=O)[O-])cc1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccn(Cc2c(F)cccc2Cl)n1,0,0,0,0
Cn1cnc(Nc2ncc(Cl)c(NC3CC4CN(C(=O)CC#N)CC4C3)n2)c1,0,0,0,0
CCCCn1nnc(NC(=O)CCC)n1,0,0,0,0
O=C(NC(=S)NCCO)c1cn(-c2ccccc2)nc1-c1ccccc1,0,0,0,0
CC1=NOC(=O)/C1=C\c1ccc(-c2ccccc2Br)o1,0,1,0,0
CCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
CS(=O)(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
CNc1nc(C)c(-c2nc(Nc3cccc(C(=O)N4CCN(C(C)=O)CC4)c3)ncc2C#N)s1,0,0,0,1
COc1ccc(C2CC(=O)N(Cc3cccc(F)c3)c3ccccc3S2)cc1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3-c3ccncc3)nccc2c1,0,0,0,0
O=C(c1ccc(C[S+]([O-])c2ccccc2Cl)o1)N1CCN(c2ccccc2)CC1,0,0,0,0
Cc1ccc(C2(c3ccc(C)cc3)CC2C(=O)NC(C)C)cc1,0,0,0,0
COCCn1cc(C)cc(Nc2ncnc3sc(C(=O)O)c(C)c23)c1=O,0,0,0,0
Cc1ccsc1/C=N/n1c(-c2ccccc2)n[nH]c1=S,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(C(=O)O)cc1,0,0,0,0
CCn1cc(-c2ccc(-c3c4c(nn3C)CCc3cnc(Nc5ccc(C(=O)O)cc5OC)nc3-4)cc2)cn1,0,0,0,0
COc1cccc(/C=C2\CC(CO)(COC(=O)CC(C(C)C)C(C)C)OC2=O)c1,0,0,0,0
COc1cccc(CNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)c1,1,0,0,0
CON[C@H]1CC[C@@](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1,0,0,0,0
O=C1CCc2cc(S(=O)(=O)N3CCC(C(=O)NCCC4=CCCCC4)CC3)ccc2N1,0,0,0,0
NCc1ccc(CCCNCCNS(=O)(=O)c2ccc3sccc3c2)cc1,0,0,0,0
CCNC(=O)C(C#N)=Cc1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O,0,0,0,0
CCN(CC)CCNN=C(C)C1C(=O)NC(=O)NC1=O,0,0,0,0
Cc1cccc(Nc2nn3c(=O)c4cc5c(cc4nc3s2)OCO5)c1,0,0,0,0
Cc1cc(C)n(Cc2ccccc2F)c(=O)c1C#N,0,0,0,0
CCOC(=O)C1CCN(C(c2ccc(OCC)cc2)c2c(O)cc(C)n(CCOC)c2=O)CC1,1,0,0,0
CCn1cc(C(=O)N2CCCC(CO)(Cc3ccccc3C)C2)cn1,0,0,0,0
O=C(O)CCc1ccc(-c2cccs2)n1-c1ccc(C(=O)O)cc1,0,0,0,0
O=C(NO)c1ccccc1S(=O)(=O)N1CCN(C(=O)c2ccccc2)CC1,0,0,0,0
O=C(/C=C/c1cccs1)Nc1nncs1,0,1,0,0
Cc1cc(-c2c(C)ccc3[nH]ncc23)nc2c1CN(c1cc(C3CC3)nn1C)CC2,0,0,0,0
Cc1ccc(N2C(=O)C(=Cc3ccc(C(C)C)cc3)N=C2SC2CCOC2=O)cc1,1,0,0,0
COCCNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
CNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
N#CC(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl,0,0,0,0
Cc1ccc(CN=c2c([N+](=O)[O-])nn(-c3cccc(C)c3)n2O)cc1,0,0,0,0
Clc1ccccc1NN(Cc1ccccn1)c1ccccc1Cl,0,0,0,0
Cc1ccc(S(=O)(=O)N=c2ccc(Cl)cn2C(F)F)cc1,0,0,0,0
S=C(Nc1ccccc1)N1CCC(Cc2ccccc2)CC1,0,0,0,0
O=C(O)c1c[nH]c2cc(Cl)c(-c3ccc(OCCCN4CCOCC4)cc3)cc12,0,0,0,1
O=C(O)COCC1CCC(COC(=O)N(c2ccc(F)cc2)c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1c(N=C2SCC(=O)N2N=Cc2ccc(Br)cc2)c(=O)n(-c2ccccc2)n1C,1,0,0,0
CCN1C(=O)c2ccccc2Sc2ccc(NC(=O)Nc3ccc(Br)c(C)c3)cc21,1,0,0,0
N#Cc1cc(-c2ccnc(Nc3ccc(NC4CCNCC4)nc3)n2)cnc1N1CC[C@H](F)C1,0,0,0,0
CN1CCN(C2=Nc3ccc(Cl)cc3Oc3ccccc32)CC1,0,0,0,0
CC1=CC(C)(C)N2C(=O)C(=Nc3ccc(O)cc3)c3cccc1c32,0,0,0,0
C[C@@H]1CN(c2nc(-c3cccc(O)c3)nc3cccnc23)C[C@H](C)O1,0,0,0,0
Cc1nc(COc2ccc(C(O/N=C/C(=O)O)C3CCCCC3)cc2)cs1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(OC2CCN(c3ccc(OCC4CC4)nc3)C2)cc1,0,0,0,0
CC(=O)N1CCn2cc(C3=C(c4cnc5ccccn45)C(=O)NC3=O)c3cccc(c32)C1,0,0,0,0
CCCC(=O)Oc1c(S(=O)(=O)c2ccc(C)cc2)c(C)nn1C(C)(C)C,0,0,0,0
COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1,1,0,0,0
COc1ccc(C(=O)O[C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1,0,0,0,0
NC(=O)c1ccc(Cl)c(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
Cc1cc(OCCCCn2ccnc2)cc(C)c1Cl,0,0,0,0
COc1ccc(CNCCC(c2ccccc2)c2ccc3c(c2)OCO3)cc1,0,0,0,0
OC(CN1CCOCC1)CN(c1ccccc1)c1ccccc1,0,0,0,0
COc1cccc(OC)c1[C@@H]1C[C@H](OC)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC1CN(Cc2cccnc2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1,0,0,0,0
Cc1cc(-c2ccc(S(=O)(=O)N3CCc4ccccc4C3)s2)on1,0,0,0,0
CCCCNS(=O)(=O)c1ccc(S(=O)(=O)NCc2ccncc2)cc1,0,0,0,0
Cc1nc(NC(=O)CCl)sc1C(=O)N(C)C,0,0,0,0
Cc1ccc(C(=O)N2CCCC2)c(F)c1F,0,0,0,0
CCCCC1C(=O)NC(=S)NC1=O,0,0,0,0
CN(CCNC(=O)c1cc2c(=O)n(C)c3ccccc3c2n1C)Cc1ccccc1,1,0,0,0
Cc1ccc(C)c(N2CCN(C(=O)c3ccc(CSc4nc5ccncc5[nH]4)cc3)CC2)c1,0,0,0,0
COc1ccc(-c2csc(=Nc3ccccc3)n2Cc2ccccc2)cc1,0,0,0,0
COC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1,1,0,0,0
CSc1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1,0,0,0,0
CCOc1ccc(C(=O)Nc2onc3c2CCCC3)cc1,0,1,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1)c1ccc(I)cc1,0,0,0,0
COc1ccc(/C=C/S(=O)(=O)NCc2ccccc2)cc1OC,0,0,0,0
CCN(CC)c1ccc2oc(=O)c(C(=O)NCc3cn(CCCCP(=O)(F)OC)nn3)cc2c1,0,0,1,0
COc1ccc2[nH]c(C(=O)c3cc4ccccc4s3)cc2c1,0,0,0,0
O=C(O)Cc1ccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)cc1,0,0,0,0
CC(CO)(CO)n1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
O=C(O)c1cnc(Cc2cc(Cl)ccc2OCc2ccccc2)s1,0,0,0,0
Cc1cc(/C=C2\C(=O)Nc3ccc(F)cc32)c2ccccc(OCCN3CCOCC3)c1-2,0,0,0,0
c1ccc(-c2nc(N3CCOCC3)sc2-c2ccccc2)cc1,0,0,0,0
CS(=O)(=O)Nc1ccc(-c2ccc3c(Nc4ccccc4)c(C(N)=O)cnc3c2)cc1,0,0,0,0
CS(=O)(=O)Nc1cccc(N(Cc2ccccc2)Cc2ccccc2)c1CO,0,0,0,0
O=C1C(c2ccc(F)cc2)N(Cc2ccccc2Cl)C(=O)CN1C1CCCCC1,0,0,0,0
CSc1nc(=O)n2cccc(C)c2n1,0,0,0,0
O=C1OCCN1c1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2ccc([C@@H](O)C(F)F)cc2)c1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CC[S+]([O-])CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Fc1ccc(Cn2cc(NCCN3CCCCC3)nn2)cc1,0,0,0,0
Cc1c2oc3c(C)ccc(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]4C)c3nc-2c(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N3CCC[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c(N)c1=O,0,0,0,0
O=C(c1ccc(-c2ccccc2)cc1)C1CCCN(C(=O)c2ccncc2)C1,0,0,0,0
COc1ccc(-n2nc(-n3cnnn3)c3c2C(=O)N(c2ccc(-c4ccccc4CN4CC[C@@H](O)C4)cc2)CC3)cc1,0,0,0,0
CN1CC[C@@](O)(C#Cc2cc3c(cc2F)OC[C@](C)(O)c2sc(C(N)=O)nc2-3)C1=O,0,0,0,0
O=C(CCCCl)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1,0,0,0,0
COCCN1C[C@@H](C(C)C)N(c2ccn3ncc(-c4ccc(-c5ncc[nH]5)cc4)c3n2)C1=O,0,0,0,0
CC(NC(=O)c1ccc2c(c1)N(Cc1cccc(F)c1)C(=O)c1ccccc1S2)c1ccccc1,1,0,0,0
COc1cc(OCc2csc(C3(c4ccccc4)CCOCC3)n2)c2cc(-c3cn4nc(OC)sc4n3)oc2c1,0,0,0,0
Nc1ncnc2c1c(-c1ccc(Cl)cc1)nn2-c1cccc(-c2cn(CCCCCC(=O)NO)nn2)c1,0,0,0,0
CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O,0,0,0,1
OCCCc1nc2ccccc2n1CCCCOc1ccccc1,1,0,0,0
COCc1cc(=O)nc(N2CCN(c3ccccc3OC)CC2)[nH]1,0,0,0,0
O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCc2ccccc21,1,0,0,0
Cc1cc2ccccc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1,1,0,0,0
Cc1cnc(NCCc2ccc(C(F)(F)F)cc2)c(=O)n1CC(=O)NCCON=C(N)N,0,0,0,0
CCCc1ccc(Oc2c[nH]nc2-c2ccc(O)c(C)c2O)cc1,0,0,0,0
O=C(c1ccon1)N1CC2CNCC(C2)C1,0,0,0,0
COc1ccccc1C1c2c(C(C)=O)n[nH]c2C(=O)N1c1ccc(-c2ccsc2)cc1,0,0,0,0
COc1cc(C)cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
O=S1(=O)c2ccccc2N(Cc2ccc(Cl)cc2)c2ccccc21,0,0,0,0
CCC(SC1NC2NNC(C)C2C(N)N1c1ccc(C)c(Cl)c1)C(=O)N1CCOCC1,1,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(C(C)C)cc2)nc2ccc(Cl)cc12,0,0,1,0
CNc1nc(N)c(C(=O)C(C)(C)C)s1,0,0,0,0
COc1cc2cc(-c3ccc(CN(C)Cc4ccc(C)cc4)cc3)c(=O)oc2cc1OC,0,0,0,0
O=c1c(=NNc2ccccc2Cl)c(=O)c2ccccc12,0,1,0,0
CCCCNC(=O)Cn1c(=O)c2c(ncn2CC)n(Cc2ccccc2)c1=O,0,0,0,0
CC(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1,0,0,0,0
CN(C)c1ccc(C(=O)OCC2(CO)C/C(=C\c3ccccn3)C(=O)O2)cc1,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2cn(C)nc2C)cc1,0,0,0,0
Cc1ccc(OCCCNCCOc2ccccc2)cc1,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3cccc(F)c3-4)cc2)C1,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2[C@H](Cn3cc(-c4ccc(F)cn4)cn3)OC[C@@H]2C)c1,0,0,0,0
COCCN(C)CCn1c(C#N)c(-c2cccc(F)c2)c2cc(OC)ccc2c1=O,0,0,0,0
C=CCC1(NC(C)c2ccccc2)CCCCC1,0,0,0,0
O=C1CC(CN2CCC(C(=O)c3ccc(F)cc3)CC2)Cc2[nH]ncc21,0,0,0,0
O=C(CCl)Oc1ccc2occ(C(=O)c3cccs3)c2c1,0,1,0,0
CC1CCCCN1CCCN(Cc1ccc2ccc(C(=N)N)cc2c1)C(=O)c1cccc2ccccc12,0,0,0,0
Cc1cc(OC(=O)N2CCCCC2)cc(C)c1Cl,0,0,0,0
O=C(OCc1nnc(-c2ccccc2)o1)c1cc(F)c(F)cc1Cl,0,0,0,0
COC(=O)[C@@]1(O)CC2O[C@]1(C)n1c3ccc(CSC(C)C)cc3c3c4c(c5c6cc(CSC(C)C)ccc6n2c5c31)C(=O)NC4,0,0,0,0
O=C(NCc1ccccc1Cl)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2,1,0,0,0
COc1ccc(Nc2ncc(CN3CCN(S(C)(=O)=O)CC3)cc2-c2cc(N)nc(C)n2)cn1,0,0,0,0
CCCc1cccnc1Nc1cccc(C)n1,0,0,0,0
O=C1NC(=O)/C(=C\c2ccc(Br)o2)S1,0,0,0,0
Brc1ccc(C2CCCc3cncn32)cc1,0,0,0,0
O=C(N/N=C/C(Br)=C/c1ccccc1)c1cccnc1,0,1,0,0
C=CC(=O)Nc1cccc(NC(=O)Nc2ccnc(Nc3ccc(C4CCN(C)CC4)cc3)n2)c1,0,0,1,0
Cc1cc(NC(=O)CC(C)C)c(=O)n(Cc2ccccc2F)c1,0,0,0,0
Cc1nc(N)cc(OCCNC(=O)c2ccc(S(=O)(=O)F)cc2)n1,0,0,1,0
COc1cc(N2CCCC2)c(OC)cc1C=O,0,0,0,0
CC(C)CCn1nnnc1CN1CCN(c2ccc(F)cc2)CC1,1,0,0,0
C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nn2c(-c3ccc(F)cc3)ncc2c(=O)[nH]1,0,0,0,0
Cc1nn(C)c(C)c1N(CC(F)(F)F)S(=O)(=O)C1=C(Cl)C=C(CCCN2CCCNCC2)CC1Cl,0,0,0,0
Cc1ccccc1C(=O)OCc1cc(=O)n2nc(C3CC3)sc2n1,0,0,0,0
COc1cc(OC)c(OC)cc1CNCCSc1nnnn1-c1ccccc1,0,0,0,0
O=C1C(=CNCc2ccncc2)C(=O)c2ccccc21,0,0,0,0
COc1ccccc1CNS(=O)(=O)c1c(C)nc2sc(C)cn2c1=O,0,0,0,0
COc1ccc(N2CCN(CC[C@H]3OCCc4cc(C(N)=O)ccc43)CC2)cc1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(C)c(=O)c3c2c2ccccc2n3C)CC1,1,0,0,0
c1ccc2c(c1)CCc1ccccc1C21CCNC1,0,0,0,0
Cc1cc(C)c(-c2c(O)c3cccc4c3n(c2=O)CCC4)c(C)c1,0,0,0,0
CNc1nccc2cc(C(=O)N3CCC4(CC3)Cc3cn(C(C)(C)C)nc3C(=O)N4)ccc12,0,0,0,0
Cc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc4nsnc4c3)N3CCC[C@@]23C1=O,0,0,0,0
CCN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)n[nH]1,0,1,0,0
CN(C)N1C(=O)CC(C)(c2ccc([N+](=O)[O-])cc2)C1=O,0,0,0,0
O=c1ccn(-c2ccccc2)[nH]1,0,0,0,0
Cc1cc(C(=O)Nn2cnc3ccccc3c2=O)ccc1[N+](=O)[O-],0,0,0,0
OC(CNc1nc2ccccc2s1)c1ccccc1,0,0,0,0
CC1(C)CC(=O)c2c(Sc3nccs3)sc(-c3ccn[nH]3)c2C1,0,0,0,1
COC1OC(O)C2(CCC3(O2)C(C)CC2OC(=O)C4(C)CCCC3(C)C24)C1O,0,0,1,0
COc1cccc(/C=C2/Oc3ccccc3N(CC(=O)NCC3CCCO3)C2=O)c1,0,1,0,0
Cc1cc(C)n2c3c(c(C#N)c2n1)CCCC3,0,0,0,0
Cc1nc(C(F)(F)F)c(C(=O)N=CN(C)C)s1,0,0,0,0
O=S(=O)(c1cccc2nonc12)N1CCN(c2ccccc2F)CC1,0,0,0,0
CCC1Cc2c(nc(N)c3c(N)nc(N4CCCCC4)c(C#N)c23)O1,0,0,0,0
COC1C=COC2(C)Oc3c(C)c(O)c4c(O)c(c5c(nc6cc(C)ccn65)c4c3C2=O)NC(=O)C(C)=CC=CC(C)C(O)C(C)C(O)C(C)C(OC(C)=O)C1C,0,0,1,0
COc1cc2c(cc1O)C1Cc3ccc(O)c(OC)c3CN1CC2,0,0,0,0
Cc1cc(C(F)(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn2c1C,0,0,0,0
Nc1ncnc(N2CCN(C(CN3CCCC3)c3ccc(F)cc3)CC2)c1Br,0,0,0,0
Cc1c(Cn2c(C)c(C)n3c(=O)cc(N4CCOCC4)nc23)cccc1C(F)(F)F,0,0,0,0
CC(=O)OCC=C(C)C=CC=C(C)C=CC1=C(C)CCCC1(C)C,1,0,0,0
CSc1ccc(N2C(=O)C(=O)C(C(=O)CC(C)C)C2c2ccccc2OC(C)C)cc1,0,0,0,0
CCCCN(C(=O)CSc1nnc2ccccn12)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,1,0,0,0
Cn1cc(S(=O)(=O)NCCOc2ccc3c(c2)C(C2(c4ccc(Cl)cc4)CC(F)(F)C2)NCC3)cn1,0,0,0,0
COc1ccc(S(=O)(=O)N2c3ccccc3OCC2c2ccccc2)cc1,0,0,0,0
N#CCNC(=O)[C@@H]1CCCC[C@H]1CSc1ccc(Br)cc1,0,0,0,0
CC12COC3(C(=O)Nc4ccc5ccccc5c4)CC1CCC32C,0,1,0,0
Cc1ccc(Cn2c(=O)c3cccnc3n(Cc3ccc(C)cc3)c2=O)cc1,0,0,0,0
Cc1ccccc1C(=O)N1CCN(c2ccc(N3CCOCC3)nn2)CC1,0,0,0,0
O=c1c2cn[nH]c2c2ccc(-c3cccnc3NC3CC3)cc2n1CC(F)(F)F,0,0,0,0
COc1cccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)c1,0,0,0,0
CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(C)cc1,0,0,0,0
CC(C)OCCCNC(=O)CCN1C(=O)COc2ccccc21,0,0,0,0
O=C(c1ccc(Cl)cc1)N1CCC(=Cc2ccc(C3=NCCO3)cc2)CC1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccccc1C,0,0,0,0
O=C(O)C1(Nc2nc3ccccc3n(C3C[C@H]4CC[C@@H](C3)N4C3CCCCCCC3)c2=O)CCCCC1,0,0,0,0
Nc1ncc(/C=C/c2ccc([N+](=O)[O-])o2)nn1,0,0,0,0
CCO[C@@]1(CC)c2cccc3c2-c2c1ccc1c2[C@@H](C3)N(C)CC1,0,0,0,0
Oc1ccc(-c2onc3ccc(Cl)cc23)cc1,0,0,0,0
Fc1cccc(CCC2(F)CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1,0,0,0,0
CCCCCCn1c(O)c(/C=C2\C=NN=C2c2ccccc2)sc1=S,1,0,0,0
CCc1ccc(C2CC(=O)c3c([nH]c(C(=O)OCC4CCCCC4)c3C)C2)cc1,0,0,0,0
COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4)c3C)no2)c1,1,0,0,0
COc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,0,0,0,0
O=Cc1ccc(N2CCCC2)c([N+](=O)[O-])c1,0,0,0,0
CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C(C)C)c3n2)cc1,0,0,0,0
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCC1CCCO1,0,0,0,0
Nc1nc(-c2ccc(P(=O)(O)O)o2)c(-c2ccco2)s1,0,0,0,0
CCC(=O)Nc1ncc2c(n1)CC(c1ccco1)CC2=O,0,0,0,0
Cc1nc2n(n1)C(=O)C(C(c1cccc(F)c1)N1CCCCC1)S2,0,0,0,0
O=C(c1ccccc1)c1ccccc1Cn1ccnc1,0,0,0,0
COc1cccc(-c2cnc(NCc3cc(Cl)ccc3O)n2C)c1,1,0,0,0
CN1Cc2c(c(C#N)c(N)n(C)c2=S)CC1(C)C,0,0,0,0
Cl.NCc1ccnc(Oc2cccc(C(=O)NCc3cc4ccccc4s3)c2)c1,0,0,1,0
O=C(c1cccs1)[C-](C(=S)Nc1cccc2ccccc12)[n+]1ccccc1,0,0,0,0
CN(c1ccccc1)c1ncc(Br)c(Nc2cc(C3CC3)[nH]n2)n1,0,0,0,0
CN(C)S(=O)(=O)n1cc(C=C(NC(=O)c2ccccc2)C(=O)NCCN2CCOCC2)c2ccccc21,1,0,0,0
Cc1ccc(-c2nc(N(C)C)nc3ccsc23)nc1,0,0,0,0
Cc1ccsc1-c1cncnc1N[C@@H](Cc1ccc(OC(=O)N(C)C)cc1)C(=O)O,0,0,0,0
O=C(O)C1CCN(c2ccc(N3C[C@H](CNCc4ccc(-c5noc(=O)[nH]5)cc4)OC3=O)cc2)CC1,0,0,0,0
CCCNC(=O)c1ccc2c(=O)c(O)c(-c3ccc(OC)cc3)[nH]c2c1,0,0,0,0
FC(F)(F)c1cc(-c2noc(-c3ccc4c(c3)CCO4)n2)cc(C(F)(F)F)c1,0,0,0,0
CN(CC(=O)Nc1ccc(F)cc1)C(=O)COC(=O)c1ccc(=O)n(Cc2ccccc2)n1,1,0,0,0
COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccccc3)n2)c1,1,0,0,0
COC(=O)c1ccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)cc1,0,0,0,0
COCCOc1cc(NC(=O)N2CCCc3cc(CN(CCN(C)C)S(C)(=O)=O)c(C=O)nc32)ncc1C#N,0,0,1,0
COc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,0,0,0,0
C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1c1ncc(OCc2ccc(S(C)(=O)=O)cc2F)cn1,0,0,0,0
Cc1cccn2c(=O)c(C=O)c(N3CCC4(CC3)OCCO4)nc12,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1)c1ccc(-c2nc(-c3ccc(F)c(F)c3)cs2)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccccc3)n2)CCN(C(=O)c2cccs2)CC1,0,0,0,0
COc1cc2c(cc1OC)Cc1ccccc1CCCN(C)CC2,0,0,0,0
Cc1ccnc(Nc2cccc(-c3cccc(NCCN)c3)n2)c1,0,0,0,0
CC(C)(CN)Cn1cc(-c2n[nH]c3cnc(-c4cccnc4)cc23)ccc1=O,0,0,0,0
O=C(Nc1cccc(C(F)(F)F)c1)c1cc(S(=O)(=O)N2CCCC2)c[nH]1,0,1,0,0
Cc1ccc(Nc2nc(N)c3ccccc3n2)cc1Cl,0,1,0,0
COc1ccc(Cn2c(=O)c3cccnc3n(Cc3cccc(OC)c3)c2=O)cc1,0,0,0,0
CCC(=O)N(CCC(c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC(C)C)cc1,0,0,0,0
CCN(Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1,0,0,0,0
CCN(C)CCc1c(-c2ccccc2F)[nH]c2ccccc12,0,0,0,0
COc1ccc2nc(SC(C(=O)c3ccccc3)c3ccccc3)nc(C)c2c1,1,0,0,0
CCN(C(=O)COC(=O)c1cc(-c2ccc3cc(OC)ccc3c2)nc2ccccc12)C1CCS(=O)(=O)C1,1,1,0,0
Cc1ccccc1Cn1c(=O)n(Cc2ccc(Cl)cc2)c(=O)c2cccnc21,0,0,0,0
COc1ccc(Cl)cc1-c1cccc(OCC(O)CN2CCc3ccccc3C2)c1,0,0,0,0
O=C(O)c1ccc2cc(-c3ccc(CO)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1,0,0,0,0
COCCOc1ncccc1C1C(C(=O)C(C)C)C(=O)C(=O)N1c1ccc(-c2ccc(C)o2)cc1,0,0,0,0
Cn1c2ccc(F)cc2c2ncn(CC3CCCO3)c(=O)c21,0,0,0,0
CCCCCCCCN1[C@@H](CC(=O)OCC)c2cc(C(F)(F)F)ccc2S1(=O)=O,0,0,0,0
CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CC(C)C2)CC1,0,0,0,0
Cc1ccc(S(=O)(=O)/N=C(\Nc2cccc(C)c2)Nc2nc(C)cc(C)n2)cc1,0,0,0,0
O=C(c1cc(Cc2n[nH]c(=O)c3c2NCCC3)ccc1F)N1CCN(C2CCCC2)CC1,0,0,0,0
CC1CC(=NN2C(=O)CSC2=S)CC(C)(C)C1,0,0,0,0
O=C(c1cc[n+]([O-])cc1)N1CCC2(CCN(Cc3cccc(Oc4ccccc4)c3)CC2)CC1,0,0,0,0
CC(=O)n1cc(C2C=C(C(=O)N3CCN(Cc4ccccc4)CC3)OC(OCCCCO)C2)c2ccccc21,1,0,0,0
CCCc1c(OCCCCCOc2cc(O)c(-c3ccc(F)cc3)cc2CC)cccc1Oc1ccccc1C(=O)O,0,0,0,0
CCCC(Sc1nc(N)nc2nc[nH]c12)C(=O)O,0,0,0,0
Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(N2CCCC(N3CCNCC3)C2)nc1,0,0,0,0
COc1cc(-c2cc(Cl)ccn2)c(F)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
CC(c1ccccc1)C1CC(=O)N(c2ccc(C(=O)O)cc2)C1=O,0,0,0,0
COc1ccc(Cl)cc1-c1cc(=O)[nH]c(=S)n1CC(N)=O,0,0,1,0
c1ccc(-c2ccc(C(c3ccco3)n3ccnc3)cn2)cc1,0,0,0,0
CCOc1ccc(-c2csc(-c3ccncc3)n2)cn1,0,0,0,0
Cn1c(CN2CCOCC2)nnc1SCc1ccc(C#N)cc1,0,0,0,0
Cn1ccc(-c2ncnc3c2CCN(C(=O)c2cccc(C(F)(F)F)c2Cl)C3)n1,0,0,0,0
O=C1Nc2ccccc2C12CCN(CC1CCCCCCC1)CC2,0,0,0,0
Clc1ccc(Cc2nc(-c3cccnc3)no2)cc1,0,0,0,0
Cc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(F)c4)cc3)C2)cn1,1,0,0,0
OC1(c2ccccc2)c2ccccc2C2=NCCN21,0,0,0,0
Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccc(Br)cc3)ccc12,0,0,0,0
O=C1NC2=C(C1=NCc1ccccc1)c1ccc(N3CCSCC3)c3cccc2c13,0,0,0,0
CCn1c2ccccc2c2cc(/C=N/NC(=O)c3ccccc3C)ccc21,1,0,0,0
c1ccc(CSc2ccc(-c3cccnc3)nn2)cc1,0,1,0,0
N#CNC(=NCc1ccc(S(=O)(=O)N2CC3CCC(C2)O3)cc1)Nc1ccncc1,0,0,0,0
Cc1cccc(C)c1-n1ncc(C(=O)N2CCN(c3ccccc3)CC2)c1C1CCN(C(=O)OC(C)(C)C)CC1,0,0,0,0
COc1ccc(C2=NN(CCCCNC[C@H](O)c3ccc(O)c(NC=O)c3)C(=O)C3CCCCC23)cc1OC,0,0,0,0
COc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(Cl)c3)c2cc1OC,0,0,0,0
CN1CCCN(C(c2ccc(F)cc2)c2nnnn2Cc2ccccc2)CC1,0,0,0,0
Cc1ccc(CNCc2cccnc2)cc1,0,0,0,0
COc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1OC,0,0,0,0
OCCCCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
C[C@@H](C#N)NC(=O)[C@@H](C)Oc1cc(Cl)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12,0,0,0,0
C[C@](O)(c1ccc(Nc2nn([C@@H]3CC[C@H](O)C[C@H]3C#N)cc2C(N)=O)cc1)C(F)(F)F,0,0,0,0
CC1CC(N2CCC(N(C)C3CCCC3)CC2)NC2CC(=O)CCC12,1,0,0,0
c1cncc(-c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)c1,0,0,0,0
O=S(=O)(c1cccc(F)c1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(=O)O,0,0,0,0
CCN(C)CC1CCC(Nc2c(C(C)=O)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
O=C1C(Cc2c[nH]c3ccccc23)c2nnc(-c3ccccc3)n2-c2ccccc2N1CC(=O)N1CCCCC1c1ccccc1,0,0,0,0
Cc1ccccc1Nc1nc(SCC2CCCCC2)n[nH]1,0,0,0,0
CCN(CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12,0,0,0,0
Cc1cccc(NC(=O)Nc2ccc(F)cc2)n1,0,1,0,0
CCC1(CC)C(=O)C2=C3C1[C@H](C(=O)OC)CC(C(=O)OC)C[C@H]3[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]2C,0,0,0,0
O=C(O)c1ccccc1C(=O)Nc1ccc(Oc2cccc3ccccc23)cc1,0,1,0,0
CN1C(=O)C(c2ccsc2)(c2ccc(F)c(-c3cccnc3F)c2)N=C1N,0,0,0,0
Cc1cc(F)ccc1NCc1ccncc1,0,0,0,0
Cc1ccc(C(=O)c2cc(C)sc2NC(=O)CN2CCN(C(=O)c3ccco3)CC2)cc1,1,0,0,0
COc1cc([C@H]2CCN(CCO)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
CC(C)Nc1nc2c(nc1N1CCC(Oc3ccc(F)cc3F)CC1)C(C)N(C(=O)N(C)C)CC2,0,0,0,0
Cc1ccc(-n2c(C)nc3ccccc3c2=O)cc1C,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)N(C)C1CCCCC1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
CCCN(C(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1)C1CCS(=O)(=O)C1,1,0,0,0
Cc1cc(OCC(=O)NCCCN2CCOCC2)cc(C)c1Cl,1,0,0,0
O=C(c1ccc(-c2cc(=NC3CC3)n3nc/c(=C\c4[nH]c(=O)[nH]c4O)c3n2)s1)N1CCN(CC2CCCO2)CC1,0,0,0,0
O=S(=O)(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cc(Cl)ccc1Cl,0,1,0,0
Oc1ccc2[nH]c3ncnc(NC4CCCC4)c3c2c1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(NC(=O)C(N)C(C)C)CC1,0,0,0,0
O=S(=O)(c1ccc2c(c1)CCNCC2)c1ccccc1F,0,0,0,0
C=CC(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1Cl,0,0,0,0
CCCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccncc1,0,0,0,0
COc1ccc(C2C(=O)N(CCc3ccccc3)CC(=O)N2C2CCCC2)cc1,1,0,0,0
O=C(Cn1c(=O)c2c(ncn2Cc2ccccc2)n(Cc2ccccc2)c1=O)N1CCc2ccccc21,1,0,0,0
CC(C)Cn1c(CN)c(-c2ccccc2)c2ccccc2c1=O,0,0,0,0
COc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccccc3)n2)cc1,0,0,0,0
Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc2c(c1)OCCO2,1,1,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(=O)N(C)C)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCCC(=O)Nc1cc(C)cn(Cc2c(F)cccc2Cl)c1=O,0,0,0,0
CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccncc5)co4)cc3)cc2)C(=O)NC(=O)NC1=O,0,0,0,0
CCOc1nccnc1Nc1cccc(C)n1,0,0,0,0
CCN(CCCOc1ccc2c(=O)c3ccccc3oc2c1)Cc1cccc(OC(=O)NC)c1,0,0,0,0
CCOC(=O)C1=C(c2ccccc2)N=C(SCC(=O)Nc2ccc(C)cc2)C(C#N)C1c1ccco1,1,0,0,0
CC(C)(C)n1nnnc1C(c1cccs1)N1CCN(c2ccccc2)CC1,0,0,0,0
CCN1C(=O)N[C@@H](c2cccc(C(F)(F)F)c2)C(C(=O)OC)=C1C,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccccc2Br)CC1,0,0,0,0
CSc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(C)ns2)n1,0,0,0,1
O=S(=O)(O)c1ccc2c(c1)-c1nc-2nc2[nH]c(nc3nc(nc4[nH]c(n1)c1ccc(S(=O)(=O)O)cc41)-c1ccc(S(=O)(=O)O)cc1-3)c1ccc(S(=O)(=O)O)cc21,0,0,0,0
Cc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1nc(C)n([C@H]3CCN(C(=O)CO)C[C@@H]3F)c12,0,0,0,0
Cc1nc2cccc(-c3cc4c([nH]3)CCNC4=O)c2nc1Nc1ccccn1,0,0,0,0
CN(Cc1nc2ncncc2[nH]1)C(=O)c1ccc2c(c1)CN(C)C(=O)[C@H](CC(=O)O)N2,0,0,0,0
N[C@H](COc1cncc(-c2ccc3cnc(-c4ccco4)cc3c2)c1)Cc1c[nH]c2ccccc12,0,0,0,0
O=C(NCC(F)(F)F)c1csc([C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)n1,0,0,0,0
COc1cc2cncc(Cc3ccc4oc5ccccc5c4c3)c2cc1OC,0,0,0,0
CC(=O)Nc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1,0,0,0,0
COC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12,0,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
FC(F)(F)c1c(CCCc2ccccc2)n2c3c(cccc13)CCC2,0,0,0,0
Cc1ccc(C)n1-c1nnc(N2CCC(C(=O)N3CCN(C)CC3)CC2)s1,1,0,0,0
C#CCCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)C3N(CC=C)c4ccccc4C23CC1C(=O)OC,1,0,0,0
Cc1ccc(NC(=O)[C@H](C)n2ncc(Cl)cc2=O)cc1S(=O)(=O)NCCc1ccccn1,0,0,1,0
COCCCNc1ncnc2ccc(C)cc12,0,0,0,0
CC(CN1CCCCC1)OC(=O)c1ccco1,0,0,0,0
COc1cc2c(cc1OC)CN(C(=O)C1CCN(S(=O)(=O)c3ccccc3F)CC1)CC2,1,0,0,0
CCS(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(Cl)c1Cl,1,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)cc3F)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
O=C1C2C3C=CC(C3)C2C(=O)N1c1ncn[nH]1,0,0,0,0
CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1NC1CCCC1,1,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccccc3)c(F)c2)CC1,0,0,0,0
C#CC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)NCc2cccs2)C1,0,0,1,0
O=C1N(C2CCCC2)C[C@@H]2C[C@@H](c3cccn3-c3nccs3)N3CCC[C@@]123,0,0,0,0
CC1(C)Cc2c(cnn2-c2cccc(F)c2)C(NC(=O)c2cc[n+](O)cc2)C1,1,0,0,0
CCCc1ccc(-c2cc(C(=O)NN3CCOCC3)c3ccccc3n2)cc1,1,1,0,0
CN(C)c1ccc(NCc2ccccn2)cc1,0,0,0,0
O=C(c1ccc(-c2ccccc2)c(F)c1)C1CCCN(CCCn2cccn2)C1,1,0,0,0
CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)cc1,0,0,0,0
Cc1ccc(CN2CCN3C[C@H](C)[C@](C)(c4cccc(O)c4)C[C@@H]3C2)cc1,0,0,0,0
O=C(N/N=C/c1ccccc1)c1sccc1OCc1ccc(F)cc1,0,1,0,0
CC(C)(C)c1cc(C(=O)O)c(CN2CCCCC2)o1.Cl,0,0,0,0
CCCCN(C)C(=O)c1sc2ncn(CC)c(=O)c2c1C,0,0,0,0
CC(=O)NC1CCN(c2cc(-c3ncccc3C)c(Cl)cn2)CC1,0,0,0,0
CN(C)CCc1nc2ccccc2c(=O)n1-c1ccccc1.Cl,0,0,0,0
O=CCNC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0,0,1,0
COc1cc2c(Nc3ccc(-c4nc5ccc(F)cc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
CCOC(=O)C1CCN(C(=O)CN(c2cc(Cl)ccc2OC)S(=O)(=O)c2ccccc2)CC1,1,0,0,0
CC[C@@H]1CN(c2ccc(C#N)cn2)C[C@@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)nc12,0,0,0,0
CCCCC(=O)N/N=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
CC/C(=N/OC)c1ccc2oc(CSc3nnc(CNc4ccccc4)n3CC)nc2c1,0,0,0,0
CCSCCn1c(=O)c2[nH]c(Cc3ccccc3)nc2n(Cc2ccco2)c1=O,0,0,0,0
FC(F)(F)c1cccc(N2CCc3cn[nH]c32)c1,0,1,0,0
COc1cc(C#Cc2nn(C3CN(C(=O)/C=C/CN(C)C)C3)c3ncnc(N)c23)cc(OC)c1,0,0,1,0
COc1cc2nc(Nc3cccc(C)c3)nc(N)c2cc1OC,0,1,0,0
Cn1ccnc1C(O)c1ccc(OCc2ccccc2)cc1,0,0,0,0
CS(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1,0,0,0,0
COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)NCC(c2ccco2)N(C)C)c1,1,0,0,0
O=C(O)c1ccc(F)cc1-c1ccc2c(c1)OC[C@H](CCc1ccccc1)[C@H]2O,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccc(C)c(F)c5)nc(-c5ccc6[nH]ccc6c5)c4)CC3)CC2)CC1,0,0,0,0
COc1ccc(CNc2nnc(NCc3ccncc3)c3ccc(C#N)cc23)cc1Cl,0,0,0,0
O=C(Cc1ccc(CCCCc2ccc3c(c2)OCO3)cc1)NO,0,0,0,0
CCCCn1c(-c2cc(Cl)ccc2OC)n[nH]c1=S,0,0,0,0
Cc1cc(N/N=C/c2ccc(F)cc2)nc(NCc2ccccc2)n1,0,1,0,0
COc1ccc2c(c1)O/C(=C\c1ccco1)C2=O,0,1,0,0
O=C(O)Cc1ccc(Sc2ccc([N+](=O)[O-])c3nonc23)cc1,0,0,0,0
CC(C)(C)c1nc2scc(-c3ccc(Cl)cc3)c2c(=O)o1,1,0,0,0
Cc1cccc(C)c1C(=O)N1C[C@H]2CN(CC[C@H](NC(=O)C(C)C)c3ccccc3)C[C@H]2C1,0,0,0,0
S=C(NCc1ccco1)Nc1ccc(Oc2ccccc2)cc1,0,0,0,0
COc1ccc(C=C2N=C3CCCN3C2=O)cc1,0,0,0,0
COc1cc(C(=O)N/N=C/c2ccc3c(c2)c2ccccc2n3C)ccc1O,0,1,0,0
CC(C)c1ncc(COCCCCCc2nn[nH]n2)n1-c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1,0,0,0,0
COc1cc2sc3cc(NCCC4CCCN4C)ccc3c(=O)c2cc1OC,0,0,0,1
CC(C)(COc1ncc(-c2ccc(-c3ncc(C(F)(F)F)[nH]3)c(F)c2)cc1F)C(=O)O,0,0,0,0
CCOc1ccccc1CC(c1cncs1)N1CCNCC1,0,0,0,0
CCOc1ccc2nc(-c3cn4nc(SC)sc4n3)oc2c1,0,0,0,0
COC(=O)c1ccc(CSc2nnc3ccc4ccccc4n23)cc1,0,0,0,0
COc1cc(NC(=O)CN2CCN(c3ccccc3F)CC2)c(C)cc1[N+](=O)[O-],1,0,0,0
c1ccc([C@@H]2CSC(Nc3ccc(CCNc4nc5ccccc5s4)cc3)=N2)cc1,0,0,0,0
N#Cc1ccc(N2CCCC2C(=O)O)c([N+](=O)[O-])c1,0,0,0,0
O=C1S/C(=C\c2ccc(N3CCOCC3)c(Cl)c2)C(=O)N1c1ccc(OCCCCCN2CCN(CC3CC3)CC2)cc1,0,0,1,0
CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2N2CCc3ccccc3C2)cc1,0,0,0,0
Cc1nc(N2CCCCC2)c2[nH]c(C34CC5CC(CC(C5)C3)C4)cc2n1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/O)cc1,0,0,0,0
O=C(NCCC1=CCCCC1)C1CCN(S(=O)(=O)c2cccc3nonc23)CC1,1,0,0,0
CCNC(=O)c1ccc(-c2cnc3c(NCCC(F)(F)F)nc(C#CCO)cn23)cc1C,0,0,0,0
c1ccc(CCN2CN=C(Nc3nc4ccccc4o3)NC2)cc1,0,0,0,0
COCCn1c(=O)c(-c2ccc(F)cc2)nc2cnc(N(C)C)nc21,0,0,0,0
CN(C)CCc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
CCCNC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1,0,0,0,0
COCCNc1nnc(Sc2ncc([N+](=O)[O-])s2)s1,0,0,0,0
CC(Cl)=CCn1c(SCCN2CCOCC2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
CN(C)c1ccc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)cc1,0,0,0,0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(CCC(=O)O)ccc3OCC(F)(F)F)cc21,0,0,0,0
COc1cc2nncc(-c3cnc(N4CCC(C(C)(C)O)CC4)c(C)c3)c2cc1OC,0,0,0,0
COc1cc(C)ccc1OCCCCOc1ccccc1C(C)=O,0,0,0,0
COc1ncc(F)cc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1,0,0,0,0
Cc1ccc(NC(=O)COC(=O)c2csc3c2CCC(C)C3)cc1S(=O)(=O)N1CCCCC1,1,0,0,0
Cc1cccc(Nc2nc(NCCc3ccc(O)c(F)c3)ncc2C(N)=O)c1,0,0,0,0
O=C(c1ccccc1)c1cnc2c(C(F)(F)F)ccc(-c3cccc(OCc4ccc(C(Cc5ccccc5)C(=O)O)cc4)c3)c2c1,0,0,0,0
Cc1ccc(S(=O)(=O)C(C#N)=Cc2c[nH]c3ccccc23)cc1,0,0,0,0
O=C(Oc1ccc(Oc2ccccc2)cc1)N1CCC(O)CC1,1,1,0,0
O=C(CCc1ccc(CCCCc2ccccc2)cc1)NO,0,0,0,0
Cn1c(N2CCCN(CCCN3c4ccccc4COc4ccc(C(C)(C)C(=O)O)cc43)CC2)cc(=O)n(C)c1=O,0,0,0,0
O=C(O)c1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1,0,0,0,0
CCc1nc2ccccc2nc1N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
Nc1[nH]c(=O)nc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)cc12,0,0,0,0
Cc1nc(C(O)CN2CCN(C[C@H](O)c3ccc4c(c3C)COC4=O)CC2)ccc1C#N,0,0,0,0
COc1ccc(Nc2ccc(Oc3ccnc4cc(OC)c(OC)cc34)cc2)cc1,0,0,0,0
Cc1ccccc1-c1nc(N(C)C)c2ccccc2n1,0,0,0,0
COc1cc2ncc3c(c(-c4ccccc4F)nn3C)c2cc1OC,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(Br)cc2)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
NS(=O)(=O)c1cc2cc(CN3CCSCC3)sc2s1,0,0,0,0
COc1cc2cc(-c3ccccc3)cnc2cc1OC,0,0,0,0
Clc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(N2C(=O)CCC2=O)c1,0,1,0,0
Cc1c[nH]c(SCc2ccc(Cl)cc2Cl)nc1=O,0,0,0,0
COc1ccc(S(=O)(=O)N2CCCCCSC(C)(C)[C@@H]2C(=O)NO)cc1,0,0,0,1
COc1ccc(C2C=C(c3ccccc3)N=C3NC(NS(=O)(=O)c4ccc(Cl)cc4)=NN32)cc1,0,0,0,0
COC1CCN(c2nccc(Nc3cc4c(ccn4C(C)C)cn3)n2)CC1,0,0,0,1
COc1ccc(CNC(=S)NN=Cc2ccc(O)c(OC)c2)cc1,0,0,0,0
COc1ccc(-c2cc(C(=O)NCC3CCCO3)c3cc(C(C)C)ccc3n2)cc1,1,0,0,0
CC(=O)c1ccc(OCC(O)CN(C)Cc2cccs2)cc1,0,0,0,0
O=S(=O)(CC1CC1)NCCOc1ccc2c(c1)C(Cc1cccc(Cl)c1)C(N1CCCC1)CC2,0,0,0,0
CCOc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C(=O)N(C)Cc1ccccc1,1,0,0,0
O=c1ccc2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2o1,0,0,0,0
Cn1c2ccccc2c2c(C(=O)O)cn(C3CCCC3)c(=O)c21,0,0,0,0
CC(C)C(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1,0,0,0,0
Cn1ccc(Nc2cc(-c3cc(C(N)=O)cc(N4CCNCC4)n3)ccn2)n1,0,0,0,0
COc1ccccc1-c1cc(=O)[nH]c(=S)[nH]1,0,0,1,0
S=c1[nH]nc(Cn2nnc3ccccc32)n1-c1ccccc1,0,0,0,0
CCc1ccc(OCC(=O)N2CCc3ccccc32)cc1,0,1,0,0
CCn1nc(Cc2ccc(S(=O)(=O)c3ccccc3)cc2)cc1C1CCN(C[C@H]2CN([C@@H](C(=O)O)C(C)(C)C)C[C@@H]2c2cccc(F)c2)CC1,0,0,0,0
COc1ccc(CSC2=CS(=O)(=O)c3ccccc3N2)cc1,0,0,0,0
CC(=O)N1CCC(n2ncc(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c2C)CC1,0,0,0,0
CC(C)c1cc(-c2n[nH]c(=O)n2-c2cccc(S(=O)(=O)N3CCOCC3)c2)c(O)cc1O,0,0,0,0
CCCCNc1nc(SCCC)nc2c1nnn2[C@@H]1C[C@H](C(N)=O)[C@@H](O)[C@H]1O,0,0,0,0
O=S(=O)(c1cccc(Cl)c1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
O=S(=O)(NNC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1ccc(Br)cc1,0,0,0,0
S=C(NCCC(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1,1,0,0,0
Cc1cccc(C(=O)OCc2cc(=O)n3nc(C4CC4)sc3n2)c1,0,0,0,0
COc1ccccc1N1CCN(CCCCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,0,0,0,1
O=C(c1cccs1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1,0,0,0,0
CC(C)COC(=O)C1C(=O)CC(C)(O)C(C(=O)OCC(C)C)C1c1cccnc1,0,0,0,0
CC(C)C(=O)NC(=S)Nc1nnn(C)n1,0,0,0,0
O=c1[nH]c(Oc2cnn(C3CCCC3)c2)nc2cnccc12,0,0,0,1
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCP(=O)(O)O)Cc1ccc(OCc2ncc(C)c(OC)c2C)cc1,0,0,0,0
CCOC(=O)N1c2ccc(C(F)(F)F)cc2N(C(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2nnn(C)n2)C[C@H]1CC,0,0,0,0
Cc1cc(C)c2c(c1)C(N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1nnn(C)n1)CCCN2CC1CCC(C(=O)O)CC1,0,0,0,0
O=C1NC2(CC2)Cc2[nH]c3c(c21)CCc1cnc(-c2ccc(OCCN4CCOCC4)cc2)nc1-3,0,0,0,0
CCCOc1cccc(OCCC)c1-c1cc(-c2ccc(Cl)cc2)[nH]c1-c1ccncc1,0,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5nccc(C(F)(F)F)n5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)CO)C[C@@H]1F,0,0,0,0
Cc1ccc2nc(-c3cccs3)c(Nc3c(C)cccc3C)n2c1,0,0,0,0
Cn1cc(Cc2cccc(-c3cccc4c3OCO4)n2)c2cc(NC(=O)C(C)(C)CO)ccc21,0,0,0,0
CC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C1=CCNCC1,0,0,0,0
O=C(O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2,0,0,0,0
FC(F)(F)c1cccnc1-c1ccccc1NCC1=NCCN1,0,0,0,0
C=CCSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
CCC(=NCCc1c(C)[nH]c2ccc(C)cc12)C1=C(O)CC(c2ccccc2)CC1=O,1,0,0,0
CC[C@H](c1ccccc1)N(C)c1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O,0,0,0,0
COCCNC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(OC)c1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCOC)cc3)oc2c1,0,0,0,0
CC(C)Oc1ccc(/C=N/NC(=O)C(CSCc2ccccc2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1,1,0,0,0
CC1(C(=O)N(c2ccccc2)C(C(=O)NC2CCCC2)c2ccccn2)CC(=O)N=C2C=CC=CN21,0,0,0,0
Cc1cc(C)nc(-n2nc(C)c3c2N(Cc2ccccc2F)C(=O)CC3c2ccc(Cl)cc2)n1,1,0,0,0
Cc1ccc(F)cc1C(C)(C)CC(O)(Cc1cc2nc(N3CCCC3)ncc2[nH]1)C(F)(F)F,0,0,0,0
NC(=O)C1CNC(=O)CCC(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc3ccccc3c2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N1,0,0,0,0
CC(C)(C)CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
CC(=O)N(Cc1ccc(Br)cc1)c1cccc(C)c1C,0,0,0,0
NS(=O)(=O)c1ccc(NNSC(=S)N2CCOCC2)cc1,0,0,0,0
COc1ccc2cc(C(=O)C3CCCN(C(=O)c4cncs4)C3)ccc2c1,1,0,0,0
OC1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCC2,0,0,0,0
O=C1Nc2cc(F)ccc2C1CCCCN1CCN(c2ccc(Cl)cc2)CC1,0,0,0,0
O=C(c1ccc2c3c(cccc13)CC2)C1CCCN(Cc2ccncc2)C1,1,0,0,0
NC(=O)c1ccc(C(F)(F)F)n(Cc2ccc(F)c(F)c2)c1=O,0,0,0,0
COc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccc(C)cc1)C(F)(F)F,0,0,0,0
Cc1cccc(C)c1NC(=O)CSc1nc2c(cc1C#N)C(=O)CCC2,0,0,1,0
CCCCCC1CCC(c2ccc(C(N)=O)cc2)CC1,0,0,0,0
Cc1cc(N2CCCC2)c(F)cc1/C=C\[N+](=O)[O-],0,0,0,0
CCOC(=O)C(C(=O)OCC)C(Nc1ccccc1)c1ccccc1,0,0,0,0
CCCCNC(=O)c1ccc(Oc2ccc(CC(=O)O)cc2OC)c(NCc2ccc(Cl)cc2)c1,0,0,0,0
CN[C@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)[C@H](C#N)C1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1cccc(Cl)c1,0,0,0,0
COCCn1cnc2c1c(=O)n(Cc1ccc(C#N)cc1)c(=O)n2Cc1ccccc1,1,0,0,0
Nc1nc(C(F)(F)F)cc(=O)n1/N=C/c1ccc2ccccc2c1,0,0,0,0
Cc1ccc2nc(O)c(COC(=O)c3cccs3)cc2c1,1,0,0,0
Clc1ccc2noc(-c3ccccc3)c2c1,0,0,0,0
O=C1NC(=O)C(c2ccc(Oc3ccccc3)cc2)(N2CCCN(C(=O)c3ccc(Br)cc3)CC2)C(=O)N1,0,0,0,0
CC(=O)n1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)Nc3ncns3)nc21,0,0,0,0
Cc1ccc(-c2nc3ccc(C(=O)O)cc3nc2-c2ccc(C)cc2)cc1,1,0,0,0
CCCCCCOC(=O)C(C#N)c1nc2ccccc2nc1N1CCN(C)CC1,1,0,0,0
CN1C(=O)[C@H](c2ccc(C#Cc3ccc(F)cc3)cn2)[C@H]2CCCC[C@H]21,0,0,0,0
Nc1nc(C2CCCC2)cc(N2CC(N)C2)n1,0,0,0,0
CCOC(=O)c1c(C2CCN(C(=O)OCC)CC2)nc2ccccn12,1,0,0,0
NC[C@H]1CN(c2ccc3nc(C(F)(F)F)nn3n2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
Cn1cnc(NCc2ccncc2)c1-c1nnc(Nc2ccc(OC(F)(F)Cl)cc2)o1,0,0,0,0
C[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12,0,0,0,0
Cc1cccc(N2CCN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)CCC(=O)N4)CC2)c1C,1,0,0,0
O=S1(=O)C=CC(OS(=O)(=O)c2ccccc2)C1,0,0,0,0
CCCS(=O)(=O)N1CCCC(C(=O)Oc2ccc(OC)cc2)C1,0,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3ccc(O)cc3Cl)nc2n1,0,0,0,0
COc1ccc(CNc2cccc3[nH]c(C(F)(F)F)nc23)cc1OC,0,0,0,0
O=C(O)COCC1CCC(COC(=O)N(c2ccccc2)c2ccc(Cl)cc2)CC1,0,0,0,0
COC(=O)c1ccc(Cn2c(O)c(N=O)c3ccccc32)o1,0,0,0,0
CCN(CC)c1ccc(/C=N/OCC(=O)Nc2cccc(C)c2)cc1,0,1,0,0
Cc1ccc(-c2csc3n[nH]c(=S)n23)cc1,0,0,0,1
Cc1ccc(-c2csc3nc(C(C)C)oc(=O)c23)c(C)c1,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3ccc(O)c(Cl)c3)cc2c1N1CCC(CN2CCCC2)CC1,0,0,0,0
Cc1ccc2[nH]c(CN3CCC(CO)(CC4CCCCO4)CC3)c(C)c2c1,1,0,0,0
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3ccc([N+](=O)[O-])cc3n2)cc1,0,0,1,0
COc1cc(N2CCOCC2)ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1,0,0,0,0
CN[C@@H](C)C(=O)N[C@@H]1C(=O)N(Cc2c(OC)ccc3cc(Br)ccc23)c2ccccc2N(C(=O)c2ccc(C#N)cc2)[C@H]1C,0,0,0,0
O=C(Nc1cccc(Cl)c1)c1c(O)c2c(n(Cc3ccco3)c1=O)CCCC2,1,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2F)c1,0,0,0,0
O=C(NO)C1CC(c2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1,0,0,0,0
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O,0,0,0,0
O=CN1CCN(C(=O)c2ccc3c(c2)OCO3)CC1,0,0,0,0
COC(=O)c1sc2nc(SCc3cccc(Cl)c3)n(N)c(=O)c2c1C,1,0,0,0
Oc1ccc2[nH]c(-c3cccc(F)c3F)nc2c1CNCc1cccs1,0,0,0,0
O=c1[nH]c(O)c(/C=c2\cnn3c(=NC4CC4)nc(NC4CCCc5ccccc54)nc23)[nH]1,0,0,0,0
O=C(CCN1C(=O)c2ccccc2C1=O)NCCC1=CCCCC1,0,1,0,0
CCCNC(=O)Nc1nnc(C2CC2)s1,0,0,0,0
CC(C)(C)NS(=O)(=O)c1cccc(-c2ccc3cnc(Nc4ccc(C5CCN(CC(N)=O)CC5)cc4)nn23)c1,0,0,0,0
COc1cccc(CNC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2Cl)C(=O)c2ccccc2S3)c1,1,0,0,0
O=C1CN=C(n2cnc(C3CCC3)n2)C=C2c3cccc(-c4ccc(F)nc4)c3CCN12,0,0,0,0
COCCNCc1ccc(C(=O)N2CCN(C(C)C)CC2)o1,0,0,0,0
C[C@@H]1CN(c2nc(C(F)(F)F)no2)CCN1c1ncc(OCc2ccc(CS(C)(=N)=O)cc2F)cn1,0,0,0,0
CCOc1ccc(N(C)S(=O)(=O)c2cc(-c3cc(C)no3)ccc2C)cc1,0,0,0,0
O=C(O)CCc1ccc(NCc2ccccc2)cc1,0,0,0,0
CCOC(=O)C=C1SCC(=O)N1Cc1nnc(-c2ccccc2Br)o1,1,0,0,0
OC[C@@H](O)[C@H]1O[C@@H]2O[C@H](C(Cl)(Cl)Cl)O[C@@H]2[C@H]1O,0,0,0,0
CCOC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
CN1CCN(CCOc2ccc(-c3cncc(C#N)c3Nc3cccc4[nH]ccc34)cc2)CC1,0,0,0,0
CCOC(=O)c1sc(SC)nc1N,0,0,0,0
COc1ncc2nc(-c3ccc(F)cc3)c(=O)n(CCC#N)c2n1,0,0,0,0
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccccc2)cc(OC)c1OC,0,0,0,0
O=C(c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1,0,0,0,0
C[C@H](Oc1cc(F)ccc1Nc1ncnc2cc(N=S3(=O)CCC3)cc(F)c12)C(=O)NCC#N,0,0,0,0
CC(C)Oc1ccc(C2CC(=O)N(c3ccccc3)C2=O)cc1,0,0,0,0
CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)o3)cc21,0,0,0,0
CC1=CC(=O)C2C(C)(C)CCCC2(C)C1CO,0,0,0,0
O=c1cc(O)n(-c2ccccc2)c(=S)[nH]1,0,0,0,0
c1cc2c(cn1)C1CCC(CC2)N1,0,0,0,0
O=S1(=O)C=CC(c2ccccc2)C1,0,0,0,0
COc1cnc(-c2cc(F)cc(Cl)c2)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
CCOc1cccc(F)c1C1CC(C)C(=O)N1Cc1ccc(OC(F)F)cc1,0,0,0,0
CC(C)CN1CCN(Cc2c(F)cccc2Cl)CC1CCO,0,0,0,0
c1nc(NCC2CCOC2)c2cc(-c3ccc4c(c3)OCO4)ccc2n1,0,0,0,1
O=C(O)c1cc(-c2ccc(/C=N/Nc3ccc(Cl)cc3)o2)ccc1Cl,0,1,0,0
COc1ccc(C2c3cc(OC)c(OC)cc3CC(=O)N2c2ccc(C)cc2)cc1,0,0,0,0
COc1ccc2c(c1)C(=O)N(Cc1ccco1)C(=O)/C2=C\Nc1c(C)n(C)n(-c2ccccc2)c1=O,0,0,0,0
N#Cc1c(-c2ccccc2)nc(-c2ccccc2)nc1N1CCOCC1,0,0,0,0
CCOc1cc(F)cc(F)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CCC(=O)N1CCN=C1SCc1cccc(C(F)(F)F)c1,0,0,0,0
Cc1cccc(C2C3C=CC(C)CC3C(=O)N2Cc2ccccc2)c1,0,0,0,0
CC1(C)CCCN(C(=O)c2coc(=O)c(Br)c2)C1,0,0,0,1
CCCCSc1nnc(CSc2nc3nc(C)cc(C)n3n2)o1,0,0,0,0
Fc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)cc1,0,0,0,0
COc1ccc(C=Cc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1OC,0,0,0,0
O=C(Nc1ccc(Cl)cn1)c1cnn2cccnc12,0,1,0,0
O=C(NCCCN1CCOCC1)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1,1,0,0,0
Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)no1,0,1,0,0
Oc1ccc(-c2cc3cc(I)cc(I)c3o2)c2cccnc12,0,0,0,0
Cc1ccc(O)c(-c2cc(-c3ccc(F)cc3)no2)c1,0,1,0,0
COc1ccc(C(=S)N2CCOCC2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-],0,0,0,0
Nc1ncc(-c2ccc(C3(c4noc(-c5cnco5)n4)CCC3)cn2)cn1,0,0,0,0
Cc1ccc2nc(-c3cccnc3SCC(=O)N3c4ccccc4CC3C)[nH]c2c1,1,1,0,0
Oc1c(C(Nc2ccccn2)c2ccco2)cc(Cl)c2cccnc12,0,0,0,0
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)c2cccc(C(F)(F)F)c2)cc1,1,0,0,0
Cc1cc(CN(C)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
CCOC(=O)c1cnn(-c2nc(OCC)cc(OCC)n2)c1C,0,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2,0,0,0,1
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(Cl)cc(NS(=O)(=O)C(C)C)c2C)n1,0,0,0,0
O=c1c2c([nH]c3ccccc13)C(c1ccc3c(c1)OCO3)N(S(=O)(=O)/C=C/c1ccccc1)C2,0,0,0,0
CS(=O)(=O)c1ccc(Nc2nn(C3CCCCC3C#N)cc2C(N)=O)cc1,0,0,0,0
CCOc1cc(/C=N/NC(=O)OC)ccc1OCCSc1ccc(Cl)cc1,1,0,0,0
NS(=O)(=O)c1ccc(CCn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1,0,0,0,0
COc1cccc(-n2ccc(-c3ccnc(Nc4ccc(-n5nc(C)nc5C)cc4)c3)n2)c1,0,0,0,0
O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1cccnc1,0,0,0,0
CC(=O)O/N=C(\C)c1nccs1,0,0,1,0
COc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
Cc1cccc(NC(=O)C2C3CCCCC32)c1,0,1,0,0
CCCCc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1,0,0,0,0
CC(C)CN(CCNC(=O)c1cn(C)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O)CC(C)C,0,0,0,0
COc1cccc2c1C(=O)CC1(CCN(C(=O)c3cc(C)c4nc[nH]c4c3)CC1)O2,0,0,0,0
COc1cc2c(c(OC)c1)C(CC(c1ccccc1)c1ccccc1)N(C(C)=O)CC2,0,0,0,0
CS(=O)(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0,0,0
CCOc1ccc(Cc2cc([C@H]3O[C@@H](SC)[C@H](O)[C@@H](O)[C@@H]3O)c(OC)cc2Cl)cc1,0,0,0,0
O=C(COc1ccc(Cl)cc1[N+](=O)[O-])NC1CCCCC1,0,1,0,0
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O,0,0,0,0
COCCN1C(=O)c2[nH]nc(-c3c(C)cc(C)cc3O)c2C1c1cccc(O)c1,0,0,0,0
COc1cc(CN(C)CCCl)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
NC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1Cc1ccccc1,1,0,0,0
CC(C)c1cc(-c2cnn(C(CO)CO)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
N#Cc1ccccc1CNc1nc2ncc(Br)cc2[nH]1,0,0,0,0
C[C@H]1COc2c(NCCCn3ccnc3)c(F)c(N)c3c(=O)c(C(N)=O)cn1c23,0,0,0,0
Cc1cccc(NC(=S)N(CCCN(C)C)Cc2cc3cc4c(cc3[nH]c2=O)OCO4)c1,0,0,0,0
COc1cc2c(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)cc3F)ccnc2cc1OCCNCCO,0,0,0,0
Cc1ccc(NC(=O)C2C3CCCCC32)cc1[N+](=O)[O-],0,1,0,0
OCC1OC(n2cnc3c(Nc4ccccc4)ncnc32)C(O)C1O,0,0,0,0
Cc1cc[n+](CCCc2ccc(-c3ccc(CCC[n+]4ccc(C)c(C)c4)cc3)cc2)cc1C,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)CCNC(C)=O)C1,1,0,0,0
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@](O)(CN(C)Cc3ccc(-c4cn(CCCCCCC(=O)NO)nn4)cc3)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,0,0,0,0
Cc1ccc(N2C(=O)CC(Cc3cc(C)cc(C)c3)C2=O)cc1,0,0,0,0
CC(C)Nc1nc(NC(C)C)nc(Nn2cnnc2)n1,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2F)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
O=C1c2ccccc2NC(c2c(Cl)cccc2Cl)N1Cc1ccccc1,1,0,0,0
CC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1cccc([N+](=O)[O-])c1,0,0,0,0
Cc1ccc(Cl)cc1N1CCN(C(=O)c2cn(CC(C)C)c(=O)c3c2c2ccccc2n3C)CC1,0,0,0,0
COc1cc(C)c(C)cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
CC(C)Cn1cnc2c1c(=O)n(CC(=O)O)c(=O)n2Cc1ccccc1,0,0,0,0
CC(C)C[C@H](NC(=O)O[C@H]1CC[C@H](c2ccccc2)CC1)C(=O)N[C@@H](C[C@@H]1CCNC1=O)C(O)S(=O)(=O)O,0,0,1,0
Cc1ccc(-c2cc(S(=O)(=O)c3ccc(CN)s3)ccc2S(C)(=O)=O)cc1,0,0,1,0
Cc1cc(C)cc(NCc2ccncc2)c1,0,0,0,0
CCOCCCNC(=O)CN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
Cc1ccc(-c2cc(=O)c3ccccc3[nH]2)cc1,0,1,0,0
NS(=O)(=O)OC[C@@H]1C[C@@H](Oc2cc(N[C@H]3CCCc4ccccc43)ncn2)C[C@@H]1O,0,0,0,0
O=C(CCCN1CCN(c2ncccn2)CC1)c1ccc(F)cc1,0,0,0,1
COc1cccc(CN2C(=O)CN(C3CCCCC3)C(=O)C2c2ccc(F)cc2)c1,0,0,0,0
COc1ccc(OC)c(C2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3c(C(=O)Nc4ccc(F)cc4)cnn32)c1,1,0,0,0
CCOC(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)C3Nc4ccccc4C23CC1C(=O)OC,1,0,0,0
O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc2ccccc2n1,1,0,0,0
N/C(=N\OC(=O)CCC1CCCC1)c1ccccn1,0,1,0,0
COc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1,0,0,0,0
COc1cc(CN(C(=O)c2ccccc2[N+](=O)[O-])c2ccccn2)cc(OC)c1OC,0,0,0,0
CCOC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc2ccccc2c1,1,0,0,0
Cc1c(-c2cccc(OC(F)(F)F)c2)sc2c1c(=O)n(CCCO)c(=O)n2C,0,0,0,0
O=C(Nc1nc2ccsc2c(=O)s1)c1ccc(Cl)cc1,0,1,0,0
CC(C)c1nc(NCc2ccccc2)c(C#N)c2c1CCCC2,0,0,0,0
Cn1c(C[C@H](N)C(=O)O)cnc1S[C@H]1[C@H]2C(=O)C=C3S[C@H]4C[C@]31c1c(c(O)c3c5c1=[N+]2CCC=5C=N3)N4,0,0,0,0
Cn1[nH]c(=O)c(Cl)c(Cl)c1=O,0,0,0,0
O=c1[nH]c(SCc2ccccc2)nnc1-c1ccccc1,0,0,0,0
Cc1csc2nc(CCNS(=O)(=O)c3ccc(F)cc3)cn12,0,0,0,0
Fc1ccc(CN2CCCN(C(=S)Nc3ccc(F)cc3)CC2)cc1,0,0,0,0
Cn1cc(C2=C(c3cn(C4CCNCC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0,0,0,1
Cc1cccc(C(=O)c2c(-c3cccc(OCCCCCCCN(C)Cc4ccccc4)c3)oc3ccccc23)c1,0,0,0,0
Cc1nc2c(s1)-c1nc(Nc3ccccc3)ncc1CC2,0,0,0,1
Nc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(F)cc3)n2)cc1,0,0,1,0
CC#CCOc1ccc(S(=O)(=O)NC(CSCc2cccnc2)C(=O)NO)cc1,0,0,0,0
CCOC(=O)C1CCCN(C(=O)c2cc3c(=O)n(C)c4ccccc4c3n2C)C1,0,0,0,0
CSc1ncc(CN2CCCC(C(=O)c3sccc3C)C2)cn1,0,0,0,0
Oc1ccc(-c2ncc(-c3cccc(O)c3)s2)cc1,0,0,0,0
CCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1,0,0,0,0
c1cc(-c2cnc3[nH]cc(-c4cnn(CCN5CCOCC5)c4)c3n2)ccn1,0,0,0,0
CCCCC(CC)C(=O)N1CCN(C(=O)c2ccco2)CC1,0,0,0,0
CCOC(=O)N1CCC(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4cccc(OC)c4)nc23)CC1,1,0,0,0
CC1=CCC2C(C1)c1c(O)cc(CC#CCCCNS(C)(=O)=O)cc1OC2(C)C,1,0,0,0
CCC(C)NC(=O)CSc1nnc(-c2cc(-c3cccs3)nc3ccccc23)o1,0,0,0,0
COc1cc(O)cc2c1C(Br)=C(c1ccc(O)cc1)C2=O,0,0,0,0
O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)NCc1ccc2c(c1)OCO2,1,0,0,0
COc1ccc(C2CC(=O)Nc3c2c(=O)nc2c(C)cccn32)cc1OC,0,0,0,0
COc1ccc(C2NN=C(c3c[nH]c4ccccc34)C2O)cc1,0,0,0,0
NC(=O)c1cccc(C2C[C@H]3CC[C@@H](C2)N3CCN(CC2CCC2)C(=O)[C@H](O)CO)c1,0,0,0,0
O=C(Nc1sc2c(c1C(=O)O)CCC2)C(=O)N1CCOCC1,0,0,0,1
COc1ccc(Cn2c(-c3ccccc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1,0,0,0,0
COc1ccc(Cc2nnc(NC(=O)C(C)C)s2)cc1,0,0,0,0
COc1ccc(-c2cc(=O)c3cc(OC)c(OC)cc3[nH]2)cc1,0,0,0,0
O=C(NC1CCCCCCC1)NC1CCCCC1,0,1,0,0
COc1ccc2nc(N3C(=O)NC4CCCCCC43)oc2c1,0,0,0,1
Nc1c(S(=O)(=O)c2ccccc2)c2nc3ccccc3nc2n1N=Cc1cccc(O)c1,0,0,0,0
Cc1c(C)c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2oc1=O,0,0,0,0
COc1ccc2c(c1)[C@]13CCN(C)[C@H](C2)[C@@H]1Cc1c([nH]c2ccccc12)C3,0,0,0,0
COc1ccc(/C(C)=N/NC(=S)Nc2cc(C)ccc2C)cc1,0,0,0,0
COc1cc2c(cc1OC)CN(c1nc(CN3CCCC3)nc3sc(C)c(C)c13)CC2,1,0,0,0
OCc1cccc(-c2cnc3nc(N4CCC(N5CCCCC5)CC4)oc3c2)c1,0,0,0,0
O=c1nc(SCc2c(F)cccc2Cl)[nH]c(-c2ccc(Cl)cc2)n1,0,0,0,0
Cc1ccc(OCCN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1,0,1,0,0
Nc1nc2n(n1)C(=O)CC(c1ccccc1[N+](=O)[O-])N2,0,0,0,0
COc1ccccc1N1CCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)CC1,0,0,0,0
CC(C)[C@H](C)Nc1nccc(N2C(=O)OC(C)(C)[C@@H]2c2ccccc2)n1,0,0,0,0
S=C(NCc1ccc2c(c1)OCO2)Nc1ccc2nsnc2c1,0,0,0,0
COc1ccc(S(=O)(=O)N2C(=O)[C@@](c3cccnc3OC)(N3CCCC3c3nccs3)c3cc(Cl)ccc32)c(OC)c1,0,0,0,0
CCOc1ccc(Cc2nc3cc(C(=O)N(CC)CC)ccc3n2Cc2ccco2)cc1,0,0,0,0
CC(C)Oc1cccc(CN(CC(O)C(F)(F)F)c2cccc(Oc3ccccc3)c2)c1,0,0,0,0
CCOC(=O)N1CCC(N2C(=O)c3ccccc3C2Nc2ccc(Cl)cn2)CC1,1,0,0,0
N[C@@H]1C2CCC1[C@@H](c1ccc(Cl)nc1)C2,0,0,0,0
O=C(CCCCn1c(=O)c2ccccc2n(Cc2ccccc2)c1=O)NC1CCN(Cc2ccccc2)CC1,1,0,0,0
CCCCCCCCCCCCN1C(CC(=O)O)c2cc(C(F)(F)F)ccc2S1(=O)=O,0,0,0,1
NC(=O)Cn1cc(-c2cccc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2cn(C)nc2C)cc1OC,0,0,0,0
CCc1ccc(S(=O)(=O)NCCc2csc(-c3ccccc3)n2)s1,0,0,0,0
OC(CSc1ccc(F)cc1)CN1CCN(c2ccccc2)CC1,0,0,0,0
CN(C)C(=O)Oc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
O=S(=O)(NCc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Cl)cc1,0,0,0,0
O=C(O)CSc1nnc2c3ccccc3c3ccccc3c2n1,0,0,0,0
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)NNS(=O)(=O)c3ccc(C)cc3)C2=O)cc1,1,0,0,0
CC(=O)Nc1c(O)nc(SC/C=C/CSc2nc(O)c(NC(C)=O)c(=O)[nH]2)[nH]c1=O,0,0,0,0
Nc1nc(-c2ccco2)c(-c2ccco2)s1,0,0,0,1
CC(C)(CC(O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1,0,0,0,0
O=C1CC2C(O)=C1C(C(=O)O)C2C(=O)O,0,0,0,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)NCCc1ccc(S(N)(=O)=O)cc1,0,0,0,0
CN(c1ccc(F)cn1)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1,0,0,0,0
Cn1cnc(S(=O)(=O)Nc2cc3c(cc2Oc2cccc(OCC4CCOC4)c2)n(C)c(=O)n3C)c1,0,0,0,0
CC(=O)C1=C(O)C(=O)N(c2ccc(S(N)(=O)=O)cc2)C1c1ccc([N+](=O)[O-])cc1,0,0,0,0
Cc1cc(C)nc(N2CC3CN(C(=O)c4ccc5ccccc5c4-n4nccn4)CC3C2)n1,0,0,0,0
COc1ccccc1-c1ccc2ncnc(N(C)Cc3ccco3)c2c1,0,0,0,0
CN1CCCC(Oc2ccc3[nH]c(=O)c4c(c3c2)CCSC4)C1,0,0,0,0
Cc1cccc(-c2nc3nc(C)cc(NC(C)c4ccccc4)n3n2)c1,0,1,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(NS(=O)(=O)c3ccco3)c2)c1,0,0,0,0
COc1ccc2[nH]c3c(=O)n(N)c(C)nc3c2c1,0,0,0,0
C[C@@H]1CN(C(C)(C)/C=C(\C#N)C(=O)N2CCC[C@@H](n3nc(-c4ccc(Oc5ccccc5)cc4F)c4c(N)ncnc43)C2)C[C@H](C)N1C,0,0,1,0
Cc1c(NCc2ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc2)ccc2nc(N)[nH]c(=O)c12,0,0,0,0
O=C(CSc1nnc(-c2ccccc2)o1)Oc1ccc(Br)cc1,1,0,0,0
O=C(COC(=O)c1ccccc1Cl)Nc1nccs1,1,0,0,0
COc1ccc(C#Cc2c[nH]c(=O)c3cncnc23)cc1OC,0,0,0,0
COc1cccc(-c2nc(CS(=O)(=O)CC(=O)NCCCN3C(C)CCCC3C)c(C)o2)c1,1,0,0,0
COc1cccc(-c2c3n(c(=O)n(C[C@H](N)c4ccccc4)c2=O)C(c2ccccc2)CC3)c1F,0,0,0,0
Cc1cccc(NC2(C(F)(F)F)N=C3SCCN3C2=O)n1,0,0,0,0
O=C(O)CN(Cc1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
COc1cc(OC)cc(C(=O)Nc2cc(NC(=O)c3ccco3)ccc2OC)c1,1,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2cc(OC)c(OC)c(OC)c2)nc2ccccc12,0,0,1,0
Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccncc2)c2ccc(S(=O)(=O)Nc3ncns3)cc21,0,0,0,0
O=C(NCc1cccnc1)c1cc2nc(-c3cccs3)cc(C(F)(F)Cl)n2n1,1,0,0,0
COC(=O)c1ccc(-c2n[nH]c3c2Cc2cc(CNC4CCC(C)CC4)ccc2-3)cc1,0,0,0,0
CN(CCO)C1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
O=[N+]([O-])c1ccc(N2CCOCC2)cc1O,0,0,0,0
Nc1ncnn2c(CN3CCOCC3)cc(-c3ccc(CO)cc3)c12,0,0,0,0
Cc1[nH]nc2ccc(-c3nnn(Cc4ccccc4)c3-c3ccc(F)cc3)cc12,0,0,0,0
CCC(=O)c1ccc(N2CCOCC2)c(F)c1,0,0,0,0
[O-]/[N+](=C/c1ccc(F)cc1)c1ccc(Cl)cc1,0,1,0,0
O=S(=O)(Nc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1ccc(F)cc1,1,0,0,0
CCCCN(C(=O)c1ccc(Cl)cc1)C1CC2CCC(C1)N2C,1,0,0,0
Cc1cnc(NC(P(=O)(O)O)P(=O)(O)O)s1,0,0,0,0
CCOC1OC(C(=O)N2CCN(Cc3ccccc3)CC2)=CC(c2ccc(Br)cc2)C1CCCO,1,0,0,0
CC(C)CC(NC(=O)OC(C)(C)C)c1cn(C(Cc2ccc(O)cc2)C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)nn1,1,0,0,0
Cc1c(C(=O)NCC(C)O)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
CCN(CC)CCNc1nc(/C=C/c2ccc(SC)cc2)nc2ccccc12,0,0,1,0
COc1ccc(-c2ncc(OCC3CCNCC3)cc2-c2ccc(C#N)cc2)cc1,0,0,0,0
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O)cc1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCC(NCc2ccccc2)CC1,0,0,0,0
Fc1ccc2[nH]c3c(c2c1)C1CCC(C3)N1CCCCc1ccccc1,0,0,0,0
CC1(C)Cc2c(sc3ncnc(NNC(=S)NCc4ccccc4)c23)CO1,0,0,0,0
Cc1ccccc1CSc1nc2cccnc2n1Cc1ccc(C(=O)NC2CC2)cc1,0,1,0,0
C=CCNC(=S)NNC(=O)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1,0,0,0,0
CCc1ccc(CNC(=O)c2cnc3sc(N(CC)CC)nn3c2=O)cc1,1,0,0,0
CCOC(=O)C1=C(C)N(c2cccc(C(F)(F)F)c2)C(=O)N(C)C1c1ccc(C#N)cc1C1=COCC1,0,0,0,0
c1ccc(N2CCN(Cc3cnc(N4CCOCC4)s3)CC2)cc1,0,0,0,0
CN(CCOc1ccc2c(c1)C(O)(C(F)(F)F)c1ccccc1-2)C(=O)OC(C)(C)C,0,0,0,0
Cc1cccc(NC(=O)CCCc2ccccc2)c1,0,1,0,0
Clc1ccccc1CC(c1cncs1)N1CCNCC1,0,0,0,0
COC(=O)COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1,0,0,0,0
CC(C)(C)OC(=O)NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1,0,0,0,0
Cc1cc(-c2ccc(C(C)C)c(S(=O)(=O)N3CCOc4ccccc43)c2)on1,0,0,0,0
Cc1ccc(S(=O)(=O)C2(C(=O)O)CC2)cc1C,0,0,1,0
CCN1CCN(c2cc(C)c3cc(NC(=O)c4ccc(Br)o4)ccc3n2)CC1,1,0,0,0
CC(C)c1ccc(-n2ncc(Cl)c(Oc3ccc(CO)cc3)c2=O)cc1,0,0,0,0
CCc1nnc(NC(=O)CSc2nc(-c3ccc(OC)cc3)ns2)s1,0,1,0,0
O=C(/C=C/Nc1nccs1)C(F)(F)Cl,0,0,0,0
CC(=O)N1CCCc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc21,0,0,0,0
CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)C(C)C(=O)N3)CC1,0,0,0,0
O=c1nc(-c2ccccc2)cc(-c2ccccc2)[nH]1,0,0,0,0
CN(C)C(=O)N1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncn2)CC1,0,0,0,0
CNC(=O)c1ccc([C@]2(O)CCN(c3ccc(C#N)cc3)[C@H]2C)cn1,0,0,0,0
S=c1[nH]nc(-c2cccs2)n1/N=C/c1c(Cl)cccc1Cl,0,0,0,0
COc1ccc(NC(=NP(=O)(N2CCOCC2)N2CCOCC2)N2CCOCC2)cc1,0,0,0,0
O=S1(=O)C=C(SCc2ccccc2)Nc2ccccc21,0,0,0,0
O=S1(=O)CCC(=Nc2ccc(Cl)cc2)c2ccsc21,0,0,0,0
CN(C)C(=O)c1cc2cnc(Nc3ccc(N4CCN5CCCC5C4=O)cn3)nc2n1C1CCCCC1,0,0,0,0
CC(=O)OCCN1C(=O)c2c(/C=C/c3ccc(C(F)(F)F)cc3)nc3ccc(S(=O)(=O)N4CCOCC4)cc3c2C1=O,0,0,0,0
CCOc1ccc2c(c1)[C@@H](c1ccc(OC)cc1OCC(=O)O)N(CC(=O)O)[C@@H]2c1ccc2c(c1)OCO2,0,0,0,0
Cc1ccsc1CN=C1Cc2nc(N)[nH]c(=O)c2N1,0,0,0,0
Nc1cncc(Nc2ccc(Oc3ccc(F)cc3)cc2)n1,0,0,0,0
COc1ccc(OCC(=O)N/N=C/c2ccc(N(C)C)cc2)cc1,0,1,0,0
COc1c(C)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(OCC(=O)O)c1C,0,0,0,0
COc1ccc(OC)c(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1,1,0,0,0
CCCS(=O)(=O)N1CCN(Cc2ccccc2C(F)(F)F)CC1.O=C(O)C(=O)O,0,0,0,0
Cc1ccc(N2C(=O)C(Cl)=C(N3CCOCC3)C2=O)cc1Cl,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3-c3cnc(N)cn3)cc2F)cn1,0,0,0,0
O=C1CCC(=O)N1c1nc2nc(-c3ccccc3)cc(=O)n2[nH]1,0,0,0,0
COc1cc(Nc2c(C#N)cnc3cc(-c4ccc(CN5CCSCC5)cn4)ccc23)c(Cl)cc1Cl,0,0,0,0
CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)CF,0,0,1,0
CC(=O)Nc1cc(C(=O)OCC(=O)c2ccccc2)ccc1C,0,1,0,0
O=S(=O)(Nc1ccncn1)c1ccc2c(-c3ccc(C(F)(F)F)cc3C3=CCNC3)cccc2c1,0,0,0,0
CC(=O)c1ccc(-c2ccc(C3C4C=CCCC4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1,0,0,0,0
Cc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CN1CCC(n2cc(C3=C(c4c[nH]c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0,0,0,1
NC(=O)CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1,0,0,0,1
CS(=O)(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
Cc1cc(=O)nc(SCc2cccc(F)c2)[nH]1,0,0,0,0
CCc1cc(-c2n[nH]c(=S)n2-c2cccc(C)c2)cs1,0,0,0,0
Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3cccc(F)c3)c(Cl)nc12,0,0,0,0
Cc1cccc(NC(=O)Cn2c(=O)n(Cc3ccc4c(c3)OCO4)c(=O)c3ccccc32)c1,1,0,0,0
Cc1cc2[nH]c(C(F)(F)F)nc(=O)n2n1,0,0,0,0
Cc1cc2cc(CNC(=S)Nc3ccc(OC(F)F)cc3)ccc2[nH]1,1,0,0,0
Cc1ccc(S(=O)(=O)NC2=NN3C(=NC(c4ccccc4)=CC3c3ccc(F)cc3)N2)cc1,0,0,0,0
Nc1ccc(N2CCOCC2)c(Cl)c1,0,0,0,0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1,0,0,1,0
C/C(=C\C(=O)O)c1ccc(Cc2cccnc2)cc1,0,0,0,0
COc1ccc(C2CC(=O)N(Cc3ccc(F)cc3)c3ccccc3S2)cc1OC,1,0,0,0
Cc1ccccc1-c1nn(-c2ccc(F)cc2F)cc1CNCCN(C)C,0,0,0,0
O=C(c1c(Cc2ccccc2)n(-c2ccccc2)c2cnccc12)N1CCNCC1,0,0,0,0
CCN(CC)C(=O)CSc1nc(N)c(C#N)c(-c2cccs2)c1C#N,0,0,0,0
COc1cc2nc(Cl)nc(NCCO)c2cc1OC,0,0,0,0
Fc1ccc(C2CC(c3cccs3)=NN2C(S)=Nc2ccccc2)cc1,1,0,0,0
CCOC(=O)c1cc2ccc(OC(=O)c3ccco3)cc2oc1=O,1,0,0,0
CCCCCCc1c(C)[nH]c(-n2[nH]c(C)c(CCO)c2=O)nc1=O,0,0,0,0
Cc1c(N(Cc2ccc(C(F)(F)C3CC3)c(Cl)c2)S(=O)(=O)c2ccc(C(=O)O)cc2)nc(C2CC2)c2ccccc12,0,0,0,0
CCCC(=O)Nc1cc(C)c2c(=O)oc3ccccc3c2n1,0,0,0,0
CCc1cccc2c1NC(=O)C21C2C(=O)N(Cc3ccccc3)C(=O)C2C2CCCN21,1,0,0,0
CC(C)CNC(=O)Nc1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1,0,0,0,0
COc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1,1,0,0,0
O=C1C[C@@H](c2ccc(F)cc2)[C@H](COc2cc(F)c(S(=O)(=O)Nc3ncns3)cc2F)CN1,0,0,0,0
O=C(O)COc1c(C(=O)O)sc(-c2cccc(NC3CCCCC3)c2)c1Br,0,0,0,0
CNC(=O)Cn1cc(-c2cc(C)cc3c2-c2ccccc2C3(O)C(F)(F)F)cn1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)n2nc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2N)cc1,0,0,1,0
Nc1nn(-c2ccccc2)nc1C(=O)OCc1ccccc1F,0,1,0,0
CCOC(=O)CSc1nc(=O)n2cc(C)ccc2n1,0,0,0,0
COCC(=O)NCc1ccc(CN(C(=O)c2ccc(O)cc2O)c2ccc(-c3nc(Cl)ncc3C)cc2)cc1,0,0,0,0
NC(=O)c1c[nH]c2c1ccc1c3ccccc3[nH]c12,0,0,0,0
Clc1ccc2nc(N3CCN(Cc4ccccc4)CC3)c3cccn3c2c1,0,0,0,0
O=C(OCn1nnc2ccccc2c1=O)C1CCN(S(=O)(=O)c2cccs2)CC1,0,0,0,0
CCNc1nc(N)nc(Oc2ccc(OCCOc3ccccc3)nn2)n1,0,0,0,0
COC(=O)c1cnn(-c2cc(Oc3ccccc3)ncn2)c1N,0,0,0,0
O=C(c1ccc(OS(=O)(=O)C(F)(F)F)cc1O)c1[nH]c(Cl)c(Cl)c1-n1c(C(=O)c2ccccc2O)cc(Cl)c1Cl,0,0,0,0
Cc1cc(C)n(Cc2ccc(F)cc2)c(=O)c1C#N,0,0,0,0
COCCN1CCN(C(=O)c2cc3cc(Nc4nccc(-c5cn(C)cn5)n4)cc(Cl)c3[nH]2)CC1,0,0,0,0
N[C@H]1C[C@@H](N2Cc3ccccc3C2)CC[C@@H]1c1cc(F)c(F)cc1F,0,0,0,0
Cc1ccc(NC(=O)c2cnc3ccccc3n2)cc1C,0,1,0,0
CCOC(=O)N1N=C(c2ccc(C)cc2)CC1(O)C(F)(F)F,0,1,0,0
Cc1cc(N2CCC(OCCO)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0,0,0,0
O=C(O)C(Oc1ccc2c(c1)oc(=O)c1ccccc12)c1ccccc1,0,0,0,0
COc1cccc([C@]23CCN(C)[C@H](CC(=O)C2)C3)c1,0,0,0,0
CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OC)cc2O)cc1,0,0,0,0
CC(C)(C)Nc1nc(C(F)(F)F)nc2ccc(-c3ccsc3)cc12,0,0,0,0
Cc1ccc(Oc2ncccc2N)c2c1CCC2,0,0,0,0
COC(C)CNC(=O)Nc1cc2[nH]nc(-c3ccnc(C)c3)c2cn1,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3OC(F)F)cccc2c1,0,0,0,0
CCOc1ccc(NC(=S)NCCCc2ccccc2)cc1,0,0,0,0
Cc1cc(-c2cn(CCN3CCC3)c(C3CCN(c4ncnc(N)c4C#N)CC3)n2)ccc1F,0,0,0,0
CC(C)CSc1nnc2[nH]c(=O)cc(N)n12,0,0,0,0
CC(c1ccc(F)cc1)n1cc(S(=O)(=O)N2CCCC2)ccc1=O,0,0,0,0
COc1cc2c(C#N)c(N3CCc4ccccc4C3)nc(N)c2c(N)n1,1,1,0,0
NS(=O)(=O)c1ccc(N/N=C2/CCCCC2C2CCCCC2)c([N+](=O)[O-])c1,0,0,0,0
Cc1nc2ncnn2c(N2CCCC(C(=O)Nc3ccc4c(c3)CCC4)C2)c1C,1,0,0,0
C=CCNC(=O)CC1Nc2c3ccccc3nc(=S)n2C1=O,0,0,0,0
Fc1ccc(NC2=NCCS2)cc1Cl,0,0,0,0
CC(Oc1ccc2c3c(c(=O)oc2c1)CCCC3)C(=O)NCC(O)c1ccccc1,1,0,0,0
COc1ccc(-c2csc(-c3ccccc3)n2)c(OC)c1,0,1,0,0
O=S(=O)(c1ccc(OC(F)(F)F)cc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
c1ccc(CCNc2ccc3nnc(-c4ccccc4)n3n2)cc1,0,0,0,0
CCOP(=O)(c1c(F)c(F)c(F)c(F)c1F)C(O)c1ccccc1,0,0,0,0
Cc1cccc(CN2C(=O)COc3cc(C(=O)N4CCN(Cc5ccccc5)CC4)ccc32)c1,0,0,0,0
CN(C)CCCN1C(=O)N(C)c2ccc(Cl)cc2C1c1ccccc1,0,0,0,0
Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1OCC(F)(F)F,0,0,0,0
O=C1CCc2cc(S(=O)(=O)N3CCCC3C(=O)N3CCN(c4ccccc4F)CC3)ccc2N1,0,0,0,0
CCOc1ccccc1C1C(C(=O)Nc2ccccc2)=C(C)N=C2NC(c3ccccc3)=NN21,1,0,0,0
O=C1CCC(C(=O)N2CCCC(C(=O)c3ccc4ccccc4c3)C2)=NN1,0,0,0,0
CCc1ccccc1Nc1nc(N)nc(CSc2nnnn2C)n1,1,0,0,0
COc1ccc2c(c1)C1C(CO2)C(c2ccccc2)C2(C)C(=O)Nc3ccccc3C(=O)N12,0,0,0,0
CN(CCC#N)C(=O)CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1,0,1,0,0
CC(C)CCC1(CCN)C(=O)NC(=O)NC1=O,0,0,0,0
CCn1nnnc1-c1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccc(Br)cc3)CC1=O)C2,0,0,0,0
CC(=O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(F)ccc43)CC2)c1,0,0,0,0
CCCCN(C)C(=O)c1cn(CC)c2nc(C)ccc2c1=O,0,0,0,0
CCNC(=O)C(=O)[C@H](CCc1ccccc1)NC(=O)[C@@H](NC(=O)CCCCC1CCSS1)C(C)C,0,0,1,0
CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCN(c2ccccc2F)CC1,0,0,0,0
COC(=O)/C=C/c1cccc(N(Cc2ccc3c(c2OC)OC(C)(C)C2C3C2(Cl)Cl)C(=O)c2ccccc2)c1,0,0,0,0
CCOC(=O)C1=C(c2ccccc2)N=C(S)NC1c1ccc(Cl)c([N+](=O)[O-])c1,1,0,0,0
c1cc(OC2CCC2)c2c(c1)N1CCNCC1CC2,0,0,0,0
CN1CCc2c(c3cccc4c3n2Cc2ccccc2C4)C1,0,0,0,1
CC(C)CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4ocnc34)cc2)CC1,0,0,0,0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1,0,0,0,1
Cc1cc(=O)nc(SCC(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)[nH]1,1,0,0,0
O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1,0,0,0,0
CC(C)CC(=O)N[C@H](C)C(=O)N1CCCN(CCCOc2ccc(-c3noc(CC4CCCC4)n3)c(F)c2)CC1,0,0,0,0
c1nnc(-c2ccc3c(c2)OCO3)o1,0,0,0,0
CN(C(=O)c1ccc(NC(=O)Cc2ccc(NC(=O)C3CCCN(C(=O)c4ccccc4)C3)cc2)cc1)C1CC1,1,0,0,0
COc1ccc(-c2nc3c4ccccc4[nH]c(=O)n3n2)cc1,0,1,0,0
O=c1c2c(nc3cc(-c4cccc(Cl)c4)[nH]n13)CCCC2,0,1,0,0
N/C(=N\OC(=O)c1cccnc1)c1ccccc1Cl,0,1,0,0
CCN(CC)CCCCCCCOc1ccc2c(c1)C(=O)/C(=C/c1ccc(CN(C)Cc3ccccc3)cc1)C2,0,0,0,0
Cc1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,0,0,0,0
COc1c(C)cc(C(=O)C2CCCN(Cc3cnc(N4CCOCC4)s3)C2)cc1C,1,0,0,0
CCN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1F,1,0,0,0
Cc1cc(OCC(=O)O)c2c3c(c(=O)oc2c1)CCCC3,0,0,0,0
COc1ccc(CN2CC3C(c4ccc(F)cc4)NNC3c3cc(OC)c(OC)cc32)cc1,1,0,0,0
CCCC(O)c1nc2ccccc2n1CCCCOc1ccc(OC)cc1,0,0,0,0
Cc1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c2nc3c(c(=O)n(C)c(=O)n3C)n12,0,0,0,0
CCNc1ccc(-c2nc(-c3ccc(/C=C/COCC)cc3)[nH]c2-c2ccc(NC(C)C)cc2)cc1,0,0,0,0
COc1cc(C=Cc2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc([N+](=O)[O-])c1O,0,0,0,0
CCNc1oc(-c2ccccc2F)nc1S(=O)(=O)c1ccccc1,0,0,0,0
Cn1nc(-c2ccc(Cl)cc2)c2cc(C(=O)NCCN3CCOCC3)sc21,1,0,0,0
C=CCOc1c(CNc2nnc[nH]2)cccc1OCC,0,0,0,0
C=CCOc1cccc(CNc2cccc(C(=O)O)c2)c1,0,1,0,0
COc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1,0,0,0,0
CN(C)C1CCN(c2ccc(Nc3ncc4c5ccnc(F)c5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
Cc1ccc(C(c2nnnn2CC2CCCO2)N2CCN(c3cccc(C)c3C)CC2)cc1,1,0,0,0
CCc1nc(NCC2CCCO2)c2oc3ccccc3c2n1.Cl,0,0,0,0
COc1cc(-c2csc3ccccc23)cc2c1OCCN(Cc1ccccn1)C2,0,0,0,0
COc1ccccc1C1CCN(c2cc(-c3ccncn3)cc(=O)n2C)CC1,0,0,0,0
Fc1ccc([C@@H]2CN(CCC(F)(F)F)CC[C@H]2c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1,0,0,0,0
CCOc1ccccc1CN1CCN(S(C)(=O)=O)CC1.O=C(O)C(=O)O,0,0,0,0
CCCNC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(CCN(C)C)CC1,0,0,0,0
COc1ccc(-c2[nH]ncc2CN(CCO)Cc2cccs2)c(F)c1,0,0,0,0
O=C(COc1ccc(Cl)cc1Br)NC(=O)NC1CCCC1,0,1,0,0
C[C@@H]1Cn2ncc(-c3ccc(S(=O)(=O)N(C)C)cc3)c2CN1c1ccnc2[nH]ccc12,0,0,0,0
COC(=O)c1ccc2c(=O)[nH]c(CSc3nc(-c4ccc(F)cc4)cs3)nc2c1,0,0,0,0
COc1ccc(/C=C/c2nc(NCCCN(C)C)c3cc(Br)ccc3n2)cc1,0,0,1,0
CCS(=O)(=O)N1CCC2(CC1)OCCN2S(=O)(=O)c1ccc(OC)cc1,0,0,0,0
CCCn1c(N)c(-c2nc(C3CC3)c(C(=O)c3ccc(C(C)CC)cc3)s2)c(=O)n(C)c1=O,1,0,0,0
CCOCCOC(=O)COc1ccc2c(=O)c(Oc3ccc(OC)cc3)coc2c1,0,0,0,0
CC1(O)CC(N)(c2ccc(-c3nc4n(c3-c3ccccc3)COc3ccccc3-4)cc2)C1,0,0,0,0
CC1(c2cccc3ccccc23)NC(=O)N(CCCn2ccnc2)C1=O,0,0,0,0
C[C@H]1CN2CCN(Cc3cccc(Cl)c3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
CC(=O)N1CCCN(C(=O)c2oc3c(Cl)cc(C)cc3c2C)CC1,0,0,0,0
Fc1ccc(-c2noc(C3CCc4c(nnn4C4CCOC4)C3)n2)cc1,0,0,0,0
COc1ccc2c(c1)c(Cc1csc(N)n1)c(C)n2C(=O)c1ccc(Cl)cc1,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](C(=O)N4CC[C@H](O)C4)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12,0,0,0,0
Cc1cc2[nH]nc(-c3ccnc(N4CCOCC4)c3)c2c(OC2CCOCC2)n1,0,0,0,0
CN1CCC(N(c2nc3cc[nH]c(=O)c3c3cc(F)ccc23)C2CC2)CC1,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3ccc(C)nc3)c(=O)n(C)n2)nc1,0,0,0,0
O=C(O)c1ccc(CSc2nnnn2C2CCCCC2)cc1,0,0,0,0
NS(=O)(=O)c1c(F)c(F)c(N2CCOCC2)c(F)c1F,0,0,0,1
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(N)c3)c12,0,0,0,0
S=C(NCCCN1CCOCC1)NC1CCCC1,0,0,0,0
CCN1CCN(Cc2nc(N)nc(Nc3ccc(C)c(C)c3)n2)CC1,0,0,0,0
COc1ccc(-c2nc3cc(NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1OC,1,0,0,0
COc1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1OC,0,0,0,0
O=C1C(=Cc2ccco2)SC(=S)N1C1CCS(=O)(=O)C1,0,0,0,0
FC1CN(CCC2=C(Cc3cnccn3)c3ccccc3C2)C1,0,0,0,0
S=c1[nH]nc(-c2n[nH]c3c2CCC3)n1N=CC=Cc1ccco1,0,0,0,1
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC(F)F)CC3)c(F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Cc1ccc2nc(NC(=N)N)nc(C)c2c1,1,0,0,0
Cc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1,0,0,0,0
Nc1ccc2cncnc2c1,0,0,0,0
CCNc1ncc2nc(-c3cccs3)c(=O)n(Cc3cccs3)c2n1,0,0,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12,0,0,0,0
COc1ccc([C@@H](Cc2cccc(Cl)c2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1OC,0,0,0,0
COc1ccc(OC)c(CCNC(=O)CCC(=O)N2CCOc3ccc(C)cc32)c1,1,0,0,0
CCOC(=O)C(=O)Nc1nccs1,0,0,0,0
Cc1cccc2cc([C@H](C)Nc3nc(N)nc4nc[nH]c34)n(-c3ccccc3)c(=O)c12,0,0,0,1
CCOc1ccccc1N(C(=O)c1ccccc1Cl)C1=NC(C)(C)CS1,1,0,0,0
COc1ccc(CNC(=S)NN=C(C)c2ccc(OC)cc2)cc1,0,0,0,0
COc1cc(CN(C(=O)c2cccc(C)c2)c2ccccn2)cc(OC)c1OC,0,0,0,0
Cc1cc(-n2nc(C)cc2C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1,0,0,0,0
COC(=O)C(c1ccccc1)C1CCCCN1,0,0,0,0
CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F,0,0,0,0
CCN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2CCCc2ccccc2)CC1,0,0,0,0
N#Cc1cnc2sc3ccccc3n2c1=N,0,1,0,0
CCC(=O)N1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2CC1C,0,0,0,0
Cc1cccc2cc(C(C)Nc3ncnc4nc[nH]c34)nc(OC3CCN(C)CC3)c12,0,0,0,0
CNC(=O)C(C)(C)c1ccc(Nc2nc(-c3cncnc3)cc3cc[nH]c(=O)c23)cc1,0,0,0,0
O=C1C(=CN(C(=O)c2ccco2)c2ccc(Cl)cc2)Sc2ccccc21,1,0,0,0
CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(COC(C)=O)CS(=O)(=O)C12,0,0,0,0
CC(c1ccccc1)C1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O,0,0,0,0
O=C(Nc1ccc[n+](CC(=O)c2cccc3ccccc23)c1)c1ccccc1,1,0,0,0
CCOC(=O)c1c(NS(C)(=O)=O)sc2c1CCC(C)C2,0,0,0,0
CCc1ccccc1NC(=S)NCC1CCN(c2ccc(OC)cc2)C1,0,0,0,0
COC(=O)CSc1nc(C(C)C)nc2ccccc12,0,0,0,0
CCSc1nc(-c2ccc(Cl)cc2)nc2c1Cc1c(CO)cnc(C)c1O2,0,0,0,0
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N=C(c2ccccc2)N2CCOCC2)c1,0,0,0,0
O=C(NCCCN1CCCCC1)C1(S(=O)(=O)c2ccc(Cl)cc2)CC1,1,0,0,0
CCC(=O)Nc1onc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(OC)cc1,0,0,0,0
CCOc1ccc(-c2cn3nc(CC(C)C)sc3n2)cc1,0,1,0,0
CCCCN1C(=O)NC(NC(=O)C2CC2)(C(F)(F)F)C1=O,0,0,0,0
CC(Sc1nc2c(cc1C#N)CCCCC2)C(=O)O,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)c1,1,0,0,0
CN(CC(CC1CCCCC1)N(CC(Cc1ccccc1)N(CCc1ccccc1)N=O)N=O)N=O,0,0,0,0
N[C@H](Cc1nn[nH]n1)C(=O)O,0,0,0,1
CN(C)C(=O)c1cc2cnc(Nc3ccc(C(=O)N4C[C@@H]5CN[C@@H](C5)C4)cn3)nc2n1C1CCCC1,0,0,0,0
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(/C=N/n2cnnc2)cc1,0,0,0,0
Cn1c(-c2ccc(O)cc2)cc(-c2ccc(O)cc2)c1-c1ccc(O)cc1Cl,0,0,0,0
COc1cc(C2CCN(C[C@@H](C)O)CC2)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
CSc1cccc(CN2CCN(Cc3ccc(F)c(F)c3)C(CCO)C2)c1,1,0,0,0
Cc1c([C@@H](O)CN2CCC3CN(C(=O)c4ccc(-n5cnnn5)nc4)CC32)ccc2c1COC2=O,0,0,0,0
COc1cc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1O,0,0,0,0
Cc1c(Cc2ccccc2Oc2ccccc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
CCCN(CCC)CCNC(=O)c1cc2c(=O)oc3ccc(C)cc3c2s1,0,0,0,0
COc1cccc(Sc2c(C(=O)O)n(Cc3cc(OC)c4c(c3)OCO4)c3cc4c(cc23)OCO4)c1,0,0,0,0
COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C#N)c2cc1OC,0,0,0,0
Cc1c(-c2cncc(C(C)(C)O)c2)nc2ccc(F)cn12,0,0,0,0
COc1cc(C=NNC(=S)Nc2cccc(S(=O)(=O)N(C)C)c2)cc(OC)c1O,0,0,0,0
CCOC(=O)CN1C(=O)NC(c2ccc(Br)cc2)C(C(C)=O)=C1C,0,0,0,0
CCCCOC(=O)Nc1nccs1,0,0,0,0
CCCN(CCC)C(=O)CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)O)[C@H]1c1ccc(OC)cc1,0,0,0,0
COc1ccc(CCNC(=O)c2cccc3c2C(=O)N(C2CCCCC2)C3)cc1OC,1,0,0,0
CNC(=O)Nc1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(CC(F)(F)F)c3n2)cc1,0,0,0,0
O=S(=O)(c1ccc(NC(=S)N/N=C/c2c3ccccc3cc3ccccc23)cc1)N1CCOCC1,0,0,0,0
CN(C1=C(N2CCCCC2)C(=O)c2ccccc2C1=O)c1ccccc1,0,0,0,0
FC(F)(F)c1ccc(CN[C@H]2CC2c2ccccc2)cn1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(N(C)C)cc3)c12,0,0,0,0
c1ccc(-c2cnc3c(Nc4ccc(N5CCCCC5)cc4)nccc3n2)cc1,0,0,0,0
CCOC(=O)N1CCN(C(=O)COC(=O)C2CCN(S(=O)(=O)c3c(Cl)cccc3Cl)CC2)CC1,1,0,0,0
CCCOc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1,1,0,0,0
C[C@H]1CN(C)CCN1c1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1,0,0,0,0
Cc1cc(C)cc(NC(=O)C(Cc2ccccc2)NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1,0,0,0,0
Nc1ccc(S(=O)(=O)c2ccc(NCN3C(=O)NC(=O)C(=O)C3=O)cc2)cc1,0,0,0,0
O=C(OCc1cc(=O)n2nc(C3CC3)sc2n1)c1ccc(F)cc1,0,0,0,0
O=C1N(CCO)c2ccccc2C12CCN(CC1CCCCCCC1)CC2,0,0,0,0
CC(=O)Nc1ccc(OP(=O)(Oc2ccc(NC(C)=O)cc2)C(Cc2ccc(N=C(N)N)cc2)NS(C)(=O)=O)cc1,0,0,0,0
CCN(CC)CCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
COc1ccc(Nc2nc(-c3ccc4c(cnn4C)c3)cn3ccnc23)cc1OC,0,0,0,0
O=S(=O)(NC1CCN(c2ncnc3c2nc(-c2ccccc2Cl)n3-c2ccc(Cl)cc2)CC1)C(F)(F)F,0,0,0,0
COc1cc(CN2CCN(Cc3ccc(SC)cc3)CC2)cc(OC)c1O,0,0,0,1
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)c4ccc(OC)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
C[N+](C)(CCOc1ccccc1)CC1COC(c2ccccc2)(c2ccccc2)O1,0,0,0,0
CCCC(=O)Nn1cnc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,0,0,0,0
CC(C)(C#N)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12,0,0,0,0
CC(=O)c1ccc(Nc2cc(C)nc3nc(C)nn23)cc1,0,0,0,0
N#CCC(=O)Nc1cccc(CNc2c(C(N)=O)cnn3cccc23)c1,0,0,1,0
N#Cc1ccc(C(=O)N2CCC3(CC2)N=C(N)c2c(F)ccc(F)c2N3)cn1,0,0,1,0
CCc1cc2ccccc2nc1SCC(=O)Nc1cc(OC)c(OC)cc1C(=O)O,1,0,0,0
Cc1ccc(Cl)cc1-n1c(=O)c2sc3ccccc3c2n(CC(=O)NC2CCCCC2)c1=O,1,0,0,0
C[C@@H](Oc1nc(-c2cnn(C)c2)cc2ncsc12)[C@H]1CNC(=O)C1,0,0,0,0
Cc1ccc(C2CC(=O)N(Cc3ccccc3)c3c2c(C)nn3-c2nc(C)cc(C)n2)cc1,1,0,0,0
NC(=O)c1ccc(-c2cnc3[nH]c(=O)n(CC4CCCCC4)c3n2)cc1,0,0,0,0
Cc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O,0,0,0,0
CC(C)Oc1ccc2[nH]nc(-c3cc(N4C[C@@H](C)O[C@@H](C)C4)ncn3)c2c1,0,0,0,0
O=C(c1ccc(F)c(Cl)c1)N1CCC(F)(CNCc2cccc(-n3cccn3)n2)CC1,0,0,0,0
COc1ccc(Cc2cc([C@H]3O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)c3occ(OC)c3c2Cl)cc1,0,0,0,0
O=C(O)c1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,0,0,0,0
CC1C(=O)CC2C3(C)CCC2(C(C)C(=O)O)C(=O)C13,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2ccccc2F)c1,0,0,0,0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(N)=S,0,0,0,0
Cc1cc(N2CCC(C)CC2)nc(NCc2ccccc2)n1,0,0,0,0
O=C1CCC2c3ccc4ccccc4c3CCN12,0,0,0,0
CN1CCCc2ccccc2Cc2ccc(O)cc2CC1,0,0,0,0
CC(C)(C)CNc1ccc(-c2c(N)nc(N)nc2COCc2ccccc2)cc1,0,0,0,0
CCOC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3,0,0,0,0
CN(CCCCCCOc1ccc(C(=O)c2ccc(Br)cc2)c(F)c1)C1CC1,0,0,0,0
CCOC(=O)N1CCN(C(=O)c2ccc(-c3ncnc(CC)c3C#Cc3ccc(N)nc3)cc2F)CC1,0,0,0,0
COc1ccc(-n2nc(C(N)=O)c3ncn(-c4ccc(-c5ccccc5CN5CCCC5)cc4F)c(=O)c32)cc1,0,0,0,0
CCCCN1C(=O)C2C3C=CC(C2C1=O)C1C2C(=O)N(CCCC)C(=O)C2C31,0,0,0,0
CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1cccc(N2CCOCC2)c1,0,0,0,0
O=Cc1cc(-c2cccnc2)ccc1O,0,0,0,0
CN(c1cccc(F)c1)c1cc(-c2c[nH]c3ncc(-c4cnn(C)c4)cc23)nc(N)n1,0,0,0,0
Cc1ccc(C)c(CSCc2nc3ccccc3[nH]2)c1,0,0,0,0
O=C(O)CCn1c(=O)oc2cc(OCC3CCC3)c(Cl)cc21,0,0,0,0
C[C@@H]1CN[C@@H](C2CC2)C(=O)N(C)[C@H](C)C(=O)N[C@H](Cc2ccccc2)C(=O)NCCCc2ccccc2O1,0,0,0,0
CC(=O)Nc1cccc(C2CCN(Cc3ccc(C(=O)c4nc(C)c(C)n4-c4ccc(F)cc4)cc3)CC2)c1,0,0,0,0
CCC1(CC)C(=O)NCCN1C(=O)c1ccc(N2CC(F)(F)C2)c(OCC2CC2)n1,0,0,0,0
CCOC(=O)c1c[nH]c2ncnc(-c3ccc(N)cc3)c12,0,0,0,0
CCOC(=O)c1c(-c2cccc(C)c2)csc1NC(=O)C1CC=CCC1C(=O)O,1,0,0,0
CCOc1ccc(Nc2cc(C)c(C#N)c3nc4ccccc4n23)cc1,0,0,0,0
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)CO)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
COc1c(C(C)=O)c(OCCCCCCOc2c(C(C)=O)c(OC)c3ccoc3c2OC)c(OC)c2occc12,0,0,0,0
CCCCSCCCNC(=O)c1cn(CC)c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,1,0,0,0
Cc1nc2cnc3cc(F)c(-c4ccc(Oc5ncccn5)cc4Cl)cc3c2n1[C@H]1CCN(C(=O)CO)C[C@@H]1F,0,0,0,0
CCc1ncnc(-c2cc(Cl)c(C(=O)N3CCN(C=O)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
c1ccc(CNc2c3ccccc3nc3ccccc23)cc1,0,0,0,0
COc1cc(OC2CCN(C)CC2)c2c(Nc3cccc4c3OCO4)ncnc2c1,0,0,0,0
CCc1csc(-c2ccc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)O)nc2)n1,0,0,0,0
CC(C)c1ccc(Nc2c(-c3ccc(N(C)C)cc3)nc3cnccn23)cc1,0,0,0,0
COCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2c2cccc(C)c2)C1=O,1,0,0,0
COc1ccc(-c2ccc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cc2)cc1,0,0,0,0
O=S(=O)(Nc1cc(-c2ccc3ncc(NCCc4ccccc4)nc3c2)cnc1Cl)c1ccc(F)cc1,0,0,0,0
Cc1ccc(C=C2Sc3ccccc3C2=O)s1,0,0,0,0
Cc1c(C)c2ccc(OCC(=O)N3CCC(C(=O)O)CC3)cc2oc1=O,0,1,0,0
Clc1cccc(CN(CCCN2CCCCC2)c2cc(-c3ccccc3)no2)c1,0,0,0,0
CC(C)Sc1nc(NCc2ccco2)c2c3c(sc2n1)COC(C)(C)C3,0,0,0,0
Cc1ccc(C(=O)N2CCCC2)cc1Br,0,0,0,0
Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O,0,0,0,0
NC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccn1,0,0,0,0
COc1ccc(C=NN=C2SC(CC(=O)O)C(=O)N2c2ccc(O)cc2)cc1OC,0,0,0,0
CCOC(=O)CSC1=C(C#N)C(c2ccco2)C(C(=O)OCc2ccccc2)=C(C)N1,0,0,0,0
Cn1cccc1C(=O)NC1CCCCCC1,0,1,0,0
CN1C(=O)Cc2ccc(-c3ccc(C[C@@H](C#N)NC(=O)[C@@H]4NC5CCC4CC5)cc3)cc21,0,0,0,0
CC[C@@H](C)Oc1cc2c(cc1OC)CC(=O)N(c1ccc(N(C)C)cc1)C2c1ccc(Cl)cc1,0,0,0,0
CC(=O)Nc1ccc([C@@H](O)CNCCc2ccc(-c3ccc(C(=O)NS(C)(=O)=O)c(OC4CCCCC4)c3)cc2)cn1,0,0,0,0
Cn1ncc2c1CC(CN1CCC(C(=O)c3ccc(F)cc3)CC1)CC2=O,0,0,0,0
Cn1c(-c2ccc(-c3ccon3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1,0,0,0,0
O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2F)cc1,0,0,0,0
COc1ccc(-n2c(=O)c3c4c(sc3n3c(C)nnc23)CCCC4)cc1,0,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)O)nn1)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
COc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)c3c(C)oc(C)c3c(=O)c2)cc1,0,0,0,0
CC(C)(C)C(=O)Nc1ccc2c(c1)-c1cc(NC(=O)C(C)(C)C)ccc1C2,1,0,0,0
COc1ccccc1-c1nnc(C2CCN(C(=O)c3cccc(Cl)c3)CC2)o1,0,0,0,0
Cc1c(C(=O)OCC2CCCCC2)[nH]c2c1C(=O)CC(c1ccccc1Cl)C2,0,0,0,0
Cc1cc(C)c2cc(C(=O)N3CCN(c4ncccc4C(F)(F)F)CC3)[nH]c2c1,0,0,0,0
COc1cc(C=NN2C(=O)CSC2=S)ccc1O,0,0,0,0
Cc1[nH]c2ccccc2c1C=Cc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1,1,0,0,0
CCn1c2ccccc2c2nnc(N3CCN(c4cccc(C)c4C)CC3)nc21,0,0,0,0
CCCCCCCNC(=O)CCCn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,0,0,0,0
COc1ccc(CNCC(O)COc2cccc3c2OC(C)(C)C3)cc1,0,0,0,0
CCCC(Oc1cc(C)c(-n2cc(C(F)(F)F)nn2)c(C)c1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
Cc1nc(C2(O)CCN(C(=O)c3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3)CC2)ccc1F,0,0,0,0
O=C(NO)C1Cc2ccccc2CN1S(=O)(=O)CCc1ccncc1,0,0,0,0
CO[C@H]1CCN(c2nc(-c3c(C(C)C)ccc4[nH]ncc34)nc3c2CN(c2cc(C(C)C)nn2C)CC3)CC1(C)C,0,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Cl)cc3F)c12,0,0,0,0
Cc1ccc(C(=O)N2CCN(c3ncccn3)CC2)c(C)c1,0,0,0,0
CCCCC(Cn1c(=O)c2cnccc2n(Cc2cn(C)c3cccc(C)c23)c1=O)C(=O)O,0,0,0,0
COC(=O)Cc1c(C)nc2nc(-c3ccc(OC)cc3)[nH]n2c1=O,0,1,0,0
CCCCCCc1cccc(N2CCc3cc(S(=O)(=O)Nc4ccccc4)ccc32)c1,0,0,0,0
Cc1cccc(CN2CCN(C(=O)CCl)CC2)c1,0,0,0,0
CC(C)CC(=O)Nc1ccc(-c2nc(O)c3ccccc3n2)cc1,1,0,0,0
Cc1c(C(=O)N(c2ccc(O)cc2)c2ccnc(C#N)n2)cc(-c2cc(Cl)ccc2C(=O)N2Cc3ccccc3C[C@H]2CN2CCOCC2)n1C,0,0,0,0
CCOCCC1(Oc2ccc(Oc3ccc(C(=O)Nc4ccccn4)cc3)cc2)C(=O)NC(=O)NC1=O,0,0,0,0
Cc1n[nH]c(=O)nc1NCC1CCCO1,0,0,0,0
CCOC(=O)c1ccc2c(c1)N(CC#N)C(=O)C(C)(C)O2,0,0,0,0
CN(CCC(=O)O)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1cccc(/C=N/NC(=O)c2ccc(F)cc2)n1,0,1,0,0
CN(C)c1ccc(Nc2nc(N)c3ccccc3n2)cc1.Cl,0,1,0,0
Nc1nc(N)c2c(CNc3ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc3)coc2n1,0,0,0,0
N#Cc1ccccc1-c1ccc2c(cnn2-c2ccc(F)cc2)c1,0,0,0,0
O=C(CC(F)(F)F)Nc1cccnc1NCC1CCC(O)(c2ccccc2)CC1,0,0,0,0
COc1ccc(OC)c(CNS(=O)(=O)c2c(C)nc3scc(C)n3c2=O)c1,0,0,0,0
CSC(=S)N1CC2(CCCCC2)COC1=Nc1cc(C(C)(C)C)on1,0,0,0,0
O=c1c(CNc2ncnc3cc(F)ccc23)cn(-c2ccccc2)c2cc(Cl)ccc12,0,0,0,0
Cn1cnc(-c2cc3nccc(Oc4ccc(N5CC=Cc6c(cnn6-c6ccccc6)C5=O)cc4F)c3s2)c1,0,0,0,0
CCCc1cc(Cn2c(CC)nc3c(C)cc(C)nc32)cc(CCC)c1OC(C(=O)NS(=O)(=O)C(C)C)c1ccc2c(c1)OCO2,0,0,0,0
Nc1ncc(-c2cccc(CN3CCOCC3)c2)cc1-c1nnc(C2CC2)o1,0,0,0,0
O=C(O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1Cl,0,0,0,1
CCOc1ccc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccc(OC)c(OC)c2)cc1OC,1,0,0,0
COc1cc(C(=O)N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)ccc1C,0,0,0,0
CCCCC(C)(C)c1ccc([C@@H]2C[C@H](O)CC[C@H]2CCCO)cc1,0,0,0,0
O=C(c1cc(COc2ccc(F)cc2Cl)on1)N(Cc1ccncc1)CC1CCCO1,1,0,0,0
N#CC(C#N)=Cc1cc(CN2CCN(c3ccc(Cl)cc3)CC2)c[nH]1,0,0,0,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)c2ccc(-c3cnn(C)c3)cc2F)n1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3cccc(OC)c3)oc2c1,0,0,0,0
CCc1nc(=O)c2sc(N3CCOCC3)nc2n1Cc1cccc(C(F)(F)F)c1C,0,0,0,0
Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(OCC(=O)O)c2F)c1C,0,0,0,0
O=c1c(-c2cccs2)nc2cnc(N3CCOCC3)nc2n1Cc1ccc(F)cc1,0,0,0,0
CC(C)(OC(=O)C12CC3CC(CC(C3)C1)C2)c1cccnc1,0,0,0,0
CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(F)cc4)ns3)c(C)c2c1,0,1,0,0
Cc1noc(C2CN(c3ncnc4[nH]cc(-c5cccc(C#N)c5F)c34)CCO2)n1,0,0,0,0
COc1ccc2c(c1)CCC2=NOC(=O)c1cccc(C)c1,0,0,0,0
CC1=NOC(=O)/C1=C\c1ccc(-c2ccc(Br)cc2C(=O)O)o1,0,0,0,0
CS(=O)(=O)c1ccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CCC[C@@H](NCCO)C2)cc1,0,0,0,0
C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3-c3ccsc3)C(=O)CCC2)cc1,0,0,0,0
CCc1ccc(C2C(C(=O)O)=CC(CC)N2S(=O)(=O)c2ccc(C)cc2)cc1,0,0,0,0
Cc1ncnc(C)c1C(=O)N1CCC(C)(N2CCC(N3C(=O)N(CC4CCN(S(C)(=O)=O)CC4)C[C@H]3c3ccccc3)CC2)CC1,0,0,0,0
Cc1ccnc([C@@H]2COC(=O)N2c2ccn3ncc(-c4ccc(-c5ncn[nH]5)cc4)c3n2)c1,0,0,0,0
c1ccc(-c2ccc(-c3csnn3)cc2)cc1,1,0,0,0
COCC(C)Oc1ncccc1Nc1ncnc2sc(C(=O)NCCO)c(C)c12,0,0,0,0
c1ccc(-c2cc3n(c2)CCc2ccccc2-3)cc1,1,1,0,0
CC(=O)C1=C(c2ccccc2)N=C(S)NC1c1cc(Cl)c(OC(C)C)c(Cl)c1,1,0,0,0
CCc1ccc(C2=NN(CCC(=O)NC3CCCCCC3)C(=O)CC2)cc1,1,0,0,0
C=CCC1(C(C)CCC)C(=O)NC(=O)NC1=O,0,0,0,0
NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CC(O)CC3C(N)=O)cc2n1,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(C(C)C)[nH]c1C,0,0,0,0
Cc1ccccc1Cn1c(=O)n(Cc2ccco2)c(=O)c2ccccc21,0,0,0,0
CCc1cc(CNc2cc(Cl)nn3c(-c4ccc(OC)c(S(=O)(=O)NC5CCC(N)CC5)c4)c(C)nc23)ccn1,0,0,0,0
O=C(O)c1cscn1,0,0,0,0
CC1(C)Cc2nc3sc4c(NCCO)ncnc4c3cc2CS1,1,1,0,0
N#Cc1c(N)nc(SCc2csc(C3CCCCC3)n2)nc1-c1ccc2c(c1)OCO2,0,0,0,0
CNC[C@@H](O)[C@H](c1ccc(OC)cc1)N(C)c1ccccc1,0,0,0,0
Cc1ccc(-c2cc(=O)c3cc(C)ccc3[nH]2)cc1,0,1,0,0
COc1cc(/C=C/c2sc3ccccc3[n+]2CCCS(=O)(=O)[O-])ccc1O,0,1,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCNS(C)(=O)=O)C(=O)C(C)(c1cc(F)cc(F)c1)O2,0,0,0,0
COc1ccc(-n2ccnc(NCCc3ccc(S(N)(=O)=O)cc3)c2=O)cc1Cl,1,0,0,0
CN1C(=CC2CC(=O)N(c3cccc4ccccc34)C2=O)C(C)(C)c2ccccc21,1,0,0,0
COCCCNc1nc2nonc2nc1N(C)CC1CCCN1C,0,0,0,0
COC(=O)NCCc1cc(OC)c(OC)cc1S(=O)(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
Cc1ccc(CC2C(=O)N(c3ccccc3)C(=O)C2C)cc1,0,0,0,0
O=C1CCCCC1=CNc1ccc2c(c1)OCO2,0,0,0,0
O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccn[nH]2)cc1F,0,0,0,0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,0,0,0,0
COc1cc(C(=O)OCC(=O)N2c3ccccc3NC(=O)C2(C)C)ccc1OCC(C)C,0,0,0,0
O=S(=O)(N1CCCCC1)N1CCN(c2ccccc2F)CC1,0,0,0,0
O=C(Nn1cnc2ccccc2c1=O)c1c(F)cccc1F,0,0,0,0
NC(=O)C12CC3CC(C1)C(OC(=O)N1CC[C@@H](Nc4ccnc(C(F)(F)F)n4)C1)C(C3)C2,0,0,0,0
Cc1ccc(/C=C/c2ccc(=O)[nH]n2)cc1,0,1,0,0
CSCC[C@H](NC(=O)c1ccc(CCc2cnc[nH]2)cc1-c1ccccc1C)C(=O)O,0,0,0,0
COCCN[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(Cl)cc3)n2)[C@H](C#N)C1,0,0,0,0
CC(C)C(NS(=O)(=O)N1CCC(Oc2ccc(Cl)cn2)CC1)C(=O)NO,0,0,0,0
CC(C)CC(=O)Nc1ccc(N2CCOCC2)cc1,0,0,0,0
CCCC1=Nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2Sc2ccccc21,1,0,0,0
CCc1cc(Nc2nc(NCc3ccccn3)ncc2Br)n[nH]1,0,0,0,0
COc1cccc(-c2ccc(C#N)c(SCC(=O)NCCc3ccc(Cl)cc3)n2)c1,1,0,0,0
COc1ccc(C2C3=C(N=C(C)C2C#N)c2ccccc2S3(=O)=O)cc1,0,0,0,0
COc1cc(OC)c2ccc(=O)oc2c1C(CCN1CCCC(C)C1)c1ccc2c(c1)OCO2,0,0,0,0
COc1cc(OCc2ccccc2)c2cc(-c3cn4nc(SC)sc4n3)oc2c1,0,0,0,0
CC(C)(C)OC(=O)N1CC[C@@H](C#N)[C@H](n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)C1,0,0,0,0
CCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O,0,0,0,0
CC(C)c1[nH]ncc1-c1ccnc(NC2CCN(C)CC2)n1,0,0,0,1
Cc1sc2ncnc(SCC(=O)Nc3ncccc3O)c2c1C,0,0,0,1
Cc1c(C(=O)O)sc2ncnc(Nc3cccnc3OCC(C)F)c12,0,0,0,0
O=C(c1ccc(F)cc1F)N1CCn2c(cnc2-c2ccc(F)cc2F)C1,0,0,0,0
OC(CN1CCNCC1)Cn1ccc2ccccc21,1,0,0,0
Cc1c(Cn2c(CN)nc(=O)c3sc(N4CCOCC4)nc32)cccc1C(F)(F)F,0,0,0,0
Cc1cc(C(=O)N(Cc2ccccc2)c2ccc(-c3nc(Cl)ncc3C)cc2)c(O)cc1O,0,0,0,0
Cc1ccc(CO)cc1N(c1ccnc(Nc2cc(N3CCOCC3)cc(N3CCOCC3)c2)n1)C(C)C,0,0,0,0
CC1(OC(=O)C2CCCC2)C(=O)C=C2C=C(c3ccsc3)N(CC3CC3)C=C2C1=O,0,0,0,0
COc1cccc(OCCn2c(-c3ccc(Br)cc3)nc3ccccc3c2=O)c1,0,0,0,0
COc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccnc4)nc32)cc1,0,0,0,0
CC(NC(=O)c1ccc(OCc2ccccn2)c(C(F)(F)F)c1Cl)C(=O)C(N)=O,0,0,0,0
CCC(N)CCCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O,0,0,0,1
Cc1ccc(/C=N/c2sc3c(c2C#N)CCC3)s1,0,1,0,0
OCCN1CCN(Cc2cc3nc(-c4cccc(O)c4)nc(N4CCOCC4)c3s2)CC1,0,0,0,0
COc1cc(C2C(=O)N(C3CCCCCC3)CC(=O)N2CCc2ccccc2)ccc1OC(C)C,0,0,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2c2ncc(-c4ccc(Cl)cc4)cc2C[C@@]3(OCCCc2ccccc2)[C@H]1C5,0,0,0,0
CC(C)CC(c1nnnn1Cc1ccc(F)cc1)N1CCC(C(N)=O)CC1,0,0,0,0
Cc1c(Br)cc(Cl)c2nc(CCc3nc(N4CCCC4)nn3C)nn12,0,0,0,0
CCOCc1ccc2c(c1)N(C)CC(C1=NCCN1)O2,0,0,0,0
O=C(O)COc1ccc(F)c(NCc2cccc(-c3cccc(F)c3)c2)c1F,0,0,0,0
Cc1cc(Nc2nc(Sc3ccc(F)cc3)cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
C#CC12C=C(C#N)C(=O)C=C1c1c(Br)cccc1CC2,0,0,1,0
CN1CCN(c2nc(N)nc3cccnc23)CC1,0,0,0,0
COc1ccc2[nH]nc(-c3cc(N4CCNC(=O)C4)ncn3)c2c1,0,0,0,0
FC(F)(F)c1ccc(NCCc2ccccc2)nc1,0,0,0,0
CN(C)/C=N/c1ncnc2c1cnn2-c1ccc(C(F)(F)F)cn1,0,1,0,0
CCc1nnc2c(Nc3cc(OC)c(Cl)cc3OC)nc3ccccc3n12,0,0,0,0
Cc1ccc2c(c1)N(S(=O)(=O)c1cc(-c3cc(C)no3)ccc1C)CCO2,0,0,0,0
N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(Cc3ccc(F)c(C#N)c3)CC2)C1,0,0,0,0
CCCC(C)/C=C(C)/C=C/C(=O)CC1=C(c2cc(O)c(O)cc2C2=C(O)/C(=C/c3ccc(O)c(O)c3)OC2=O)C(O)(C(C)=O)C(O)C1=O,0,0,0,0
O=C1NC(=O)N(Cc2ccco2)C(=O)C1=CNCCN1CCNCC1,0,0,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C#N)cc1,0,1,0,0
Cc1csc(-c2nnc3n2CCN(C(=O)c2ccc(-c4ccccc4)cc2)[C@H]3C)n1,0,0,0,0
COC(=O)[C@H](c1ccc(N=[N+]=[N-])cc1)[C@H]1CCCCN1,0,0,0,0
COc1ccc2c(c1)c(=O)c1c(NCCN(C)C)ccc3nc(C)n2c31,0,0,0,0
O=c1[nH]c(=O)n(CCCCN2CC=C(c3ccccc3)CC2)c2cccc(F)c12,0,0,0,0
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(N)=O,0,0,1,0
O=S(=O)(c1ccccc1)c1nnn2c1nc(NC1CCN(Cc3ccccc3)CC1)c1cc(Cl)ccc12,0,0,0,0
COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C(C)(C)C)nc2-c2cc(NS(=O)(=O)C(C)C)c(C)c(OC)c2)n1,0,0,0,0
CC(C)C(=O)c1cnc2ccc(-c3ccc(C#N)nc3)cc2c1NC1CCC(N)CC1,0,0,0,0
Cc1cc(C)c2c(=O)n(CC(=O)Nc3ccc(Br)c(C)c3)sc2n1,0,1,0,0
CC(=O)OCCCNc1cc(Sc2ccc(Cl)cc2)c2nonc2c1[N+](=O)[O-],0,0,0,1
CCOCCCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1,0,0,0,0
CC1=C(/C=C/c2occc2/C=C/C(C)=C/C(=O)O)C(C)(C)CCC1,0,0,0,1
Cc1ccnc(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)c1,0,1,0,0
CCc1coc2ccc(-c3cc(N[C@@H](C)c4cccc(Br)c4)nc(C)n3)cc12,0,0,0,0
CCc1c(C)sc(NC(=O)c2noc(C)c2[N+](=O)[O-])c1C#N,0,1,0,0
N#Cc1cccc(CO[C@H]2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)c1,0,0,0,0
O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2cc3c(cc2s1)OCCO3,0,1,0,0
CC(C)(C)CC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3NC[C@@H](O)[C@H](O)[C@H]3O)cccc12,0,0,0,0
CCOc1ccc(NC(=O)Cn2sc3nc(C)cc(C)c3c2=O)cc1,0,0,0,1
Nc1ncc(-c2ccc(C3(c4noc(-c5cn[nH]c5)n4)CCC3)nc2)cn1,0,0,0,0
COc1cc(CN(C)CCF)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
Nc1nc(OC2CCCCC2)nc2c1ncn2C1O[C@@H](CO)[C@H](O)[C@@H]1O,0,0,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2cc(Cl)ccc12,0,0,1,0
CCN(CC)c1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)o1,0,1,0,0
COc1ccc(-c2ccc(-c3noc(C4CCCCC4)n3)c(OC)n2)cc1,0,0,0,0
COc1ccccc1Oc1cccc(CN2CCC3(CC2)CCN(C(=O)c2cc[n+]([O-])cc2)CC3)c1,0,0,0,0
COc1ccc(-c2ccc(OCC(CN3C(=O)N(C)C(C)(C)C3=O)N(O)C=O)cc2)cc1,0,0,0,0
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2C2=C(CCC(=O)N2Cc2ccccc2)C[C@@]3(O)[C@H]1C5,0,0,0,0
O=C1CCC(c2ccccc2)=NN1,0,0,0,0
COc1cc(C(=O)N2CC3CCN3C(=O)C2C)cc2nc(NC(CF)c3cccc(Cl)c3)oc12,0,0,0,0
COC(CNC(=O)CC1C(=O)N(Cc2ccccc2)C(C)c2nc3ccccc3n21)OC,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC(C)(C)C(=O)O)cn1,0,0,0,0
CC(=O)NNC(=O)N1Cc2ccccc2Oc2ccc(Cl)cc21,1,0,0,0
COCCCNC(=O)CSc1nc2c(sc3ccccc32)c(=O)n1CCCC(=O)NCCOC,1,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)N[C@@H](C)C(=O)O)ncc23)ccn1,0,0,0,0
Cc1ccc(S(=O)(=O)/N=C(/Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccc(Cl)cc2)cc1,0,0,0,0
CCOC(=O)c1sc2ncn(CC(=O)N(CC)CC)c(=O)c2c1C,0,0,0,0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C2=C(CC(=O)O)CCN(C(=O)Oc3ccccc3)C2)c1,0,0,0,0
N#Cc1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,0,0,0,0
CCOC(=O)N1CCC(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)CC1,0,0,0,0
O=C1C(=O)c2ccccc2C(O)=C1C(CCc1ccccc1)C1=C(O)c2ccccc2C(=O)C1=O,0,0,0,0
C[C@@]1(c2cc(-c3cccc(C#N)c3)ccc2F)CS(=O)(=O)C2(CCCC2)C(N)=N1,0,0,0,0
NC(=O)CC(c1ccccc1)c1ccc2c(c1)OCO2,0,0,0,0
NC(=NCCc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1,0,0,0,0
C[C@@H]1C(=O)N[C@H](Cc2ccc(F)c(F)c2)C(=O)NCCCc2ccccc2OCCN[C@@H](C2CC2)C(=O)N1C,0,0,0,0
O=C(N[C@@H]1C2CCC(C2)[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1,0,0,0,1
CC1(c2ccc(O)cc2)C(=O)NC(=O)NC1=O,0,0,0,0
O=c1ncn(Cc2ccccc2Cl)c2nc(N3CCOCC3)sc12,0,0,0,0
Nc1nc2c(cnn2CCCc2ccc(OCc3ccccc3)cc2)c2nc(-c3ccco3)nn12,0,0,0,0
CC1(C)NC(=O)N(CC(O)COc2ccc(-c3ccc(C#N)cc3)cc2)C1=O,0,0,0,0
COc1cc(/C=N/Nc2nc3c(c(=O)n(C)c(=O)n3C)n2Cc2ccccc2)ccc1OC(=O)c1ccco1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1nc(-c2cccc(Cl)c2)oc1C,1,0,0,0
O=C1Cn2c(nc3ccccc32)N1c1cccc(C(F)(F)F)c1,0,0,0,0
CCCc1cc(-c2nc3c(s2)CCC3)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)O,0,0,0,0
c1cc(-c2nc3nc(N4CCCC(c5ncc6n5CCC6)C4)ccc3[nH]2)nc(C2CC2)n1,0,0,0,0
Clc1ccc(C2(CN3CCCCC3)CCCCC2)cc1Cl,0,0,0,0
COc1ccc(C(C)(NC(C)=O)c2nc(-c3ccncc3)cs2)cc1,0,0,0,0
CNC[C@@H](O)[C@H](c1ccccc1)N(C)c1ccccc1C,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1,0,0,0,0
CC(C)OCCCn1c(SCC(N)=O)nc2c(sc3ccccc32)c1=O,0,0,0,0
CC(C)C(=O)NCc1cc(-c2ccccc2)no1,0,0,0,0
CC(=O)c1sc(NC(=O)c2ccc(C)c(C)c2)nc1C,0,1,0,0
COc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1ncn(C3(C)CCN(CCO)CC3)c12,0,0,0,0
O=C(O)[C@@H](Cc1ccccc1)Oc1c(I)cc(-c2c3ccccc3cc3sc4ccccc4c23)cc1I,0,0,0,0
COc1cc(Nc2nc3ccc(Cl)cc3n3cnnc23)cc(OC)c1OC,0,0,0,0
Cc1ccc2nc(CCCCN3CCN(c4ccc5ccccc5n4)CC3)n(N)c(=O)c2c1,0,0,0,0
COCC(=O)N1CC[C@H](n2c(C)nc3cnc4cc(F)c(-c5ccc(Oc6ncccn6)cc5Cl)cc4c32)[C@@H](F)C1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccnc(N(CCC#N)C4CC4)n3)C2)cc1,0,0,0,0
Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCC(=O)c4c(N)n(C)c(=O)n(C)c4=O)cc3C2=O)c1,1,0,0,0
COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(C)cc1,0,0,0,0
CCC(CC)c1nnc(NC(=O)C2=NNC(=O)CC2)s1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCCCOC(C)C)s2)cc1,0,0,0,0
COc1ccc(C(=O)ONC(=N)c2ccccn2)c(OC)c1,1,0,0,0
OC(COc1ccc2c(c1)OCO2)CN1CCN(c2ccc(F)cc2)CC1,0,0,0,0
CN1C2=NCCN2C(=O)c2cc(Cl)ccc21,0,0,0,0
COc1c(C)cc(C(=O)C2CCCN(C(=O)c3cccc(F)c3)C2)cc1C,1,0,0,0
CCC1CCC(c2cc(C(C)C)ccc2OC)=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)C1,0,0,0,0
CCOC(=O)CN1C(=O)C(CC)(CC)C1=O,0,0,0,0
Cc1cc(=O)[nH]c(N/N=C/c2ccc(OC(=O)c3cccnc3)cc2)n1,0,0,0,0
Cc1c(C)c2ccc(OCc3cccc(OC(F)(F)F)c3)cc2oc1=O,0,0,0,0
Cc1cc(CSc2n[nH]c(Nc3ccc(Cl)cc3)n2)no1,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1ccc(OCC(F)F)cc1,0,0,0,0
COC(=O)c1cc2oc3ccccc3c2n1Cc1cccc(C)c1,1,0,0,0
COc1ccc(OC)c(-c2csc(CCn3nc(C)cc3C)n2)c1,0,0,0,0
CN1c2ccc(OC(=O)NCCN3CCc4ccccc4C3)cc2CN2CCc3ccccc3C21,0,0,1,0
C[C@@H]1CN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC[C@@H]1CNS(=O)(=O)C(F)(F)F,0,0,0,0
CCOC(=O)N1CCN(Cc2nc(N)nc(Nc3ccc(Cl)cc3)n2)CC1,0,0,0,0
COc1ccc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@H](C)c3ccccc3)C2=O)cc1,0,0,0,0
Oc1ccc(-c2cn[nH]c2-c2cc(F)c(O)c(F)c2)cc1,0,0,0,0
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCCN4CCOCC4)c3)CC2)cc1,1,0,0,0
Nc1ccccc1SCc1cc([N+](=O)[O-])cc2c1OCOC2,0,0,0,0
CC(C)OC(=O)c1c(NC(=O)C2C=NN3C2=NC(c2ccccc2)CC3C(F)F)sc2c1CCCC2,1,0,0,0
COc1cccc2c1Cn1cc(CCc3nc4c(C)ncc(C)n4n3)nc1-2,0,0,0,0
CCCC1CCC(c2ccc(C(N)=NO)cc2)CC1,1,0,0,0
COc1ccccc1CN1CC(C(=O)N2CCN(c3ccc(F)cc3)CC2)CC1=O,1,0,0,0
O=C(CCCC(=O)OCC(=O)c1ccc(Cl)cc1)NC1CCCCC1,0,1,0,0
COC(=O)c1c(NC(=O)C(=O)N2CCOCC2)sc2c1CCC2,1,0,0,0
O=C1C=CC(=Cc2c(-c3ccccc3)[nH]oc2=O)C=C1O,0,0,0,0
Cc1ccc(NC2CCCN(C(=O)c3cc(C(C)C)n[nH]3)C2)cc1C,0,0,0,0
O=C(c1ccc(F)c(F)c1)N1CCN(c2cc(=O)[nH]c(=O)n2Cc2ccc(OS(=O)(=O)c3cccc4cnccc34)cc2)CC1,0,0,0,0
CCOc1cc(C2NCc3ccccc3-n3cccc32)ccc1OC,0,0,0,0
CC(C)(C)C1CCc2c(C(=O)NNC(=O)/C=C/C(=O)O)csc2C1,0,1,0,0
COc1ccccc1-c1ccc2cnc(Nc3ccc(C4CCN(CC(N)=O)CC4)cc3)nn12,0,0,0,0
NC(=O)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccccc1,0,0,0,0
COc1cc(C2=NN3C(=NC4=C(C(=O)CCC4)C3c3ccncc3)N2)cc(OC)c1OC,0,0,0,0
CC(C)CCNC(=O)c1cnc(-n2ncc3cc(C#N)c(N)nc32)cc1NC1COC1,0,0,0,0
O=c1[nH]ncc(NN=Cc2cccnc2)c1Cl,0,0,0,0
CCCCCCCCCN(CCN(C)C)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1,0,0,0,0
O=c1[nH]c(N2CCOCC2)nc(N[C@H]2CCCNC2)c1-c1csc(-n2cccc2)n1,0,0,0,0
Nn1c(SCc2ccccc2)nnc1-c1ccco1,0,0,0,0
CCOCCn1c(=O)nc(NCC(=O)N(C)C)c2nnc(-c3ccc(OC)nc3)cc21,0,0,0,0
O=c1cc(-c2ccccc2)oc2ccc(OCCCCCCN3CCCCCC3)cc12,0,0,0,0
O=C(O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
CC1(C)CC2(CCO1)OC(=O)CC2C(=O)NCc1ccccc1,0,0,0,0
Cn1c(=O)c2c(nc(N3CCOCC3)n2CC=Cc2ccccc2)n(C)c1=O,1,0,0,0
Nc1ncc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@H]3CCNC3=O)cc2F)cn1,0,0,0,0
CCc1n[nH]c(=O)n1Cn1c(CC)n[nH]c1=O,0,0,0,0
CCOC(=O)CSc1nnc(CSc2nc3ccccc3c(=O)[nH]2)n1-c1ccccc1,0,0,0,0
O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)cc2)o1,0,1,0,0
NC1CCC(Nc2cc(Br)cc3cc(C(=O)O)oc23)CC1,0,0,0,0
O=C(OCCN1CCCC1)N1c2ccccc2Sc2ccccc21,0,0,0,1
O=C(NCCO)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12,0,0,0,0
C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1ccccc1-c1ncccn1,0,0,0,0
COc1cc([C@@]2(O)CCN(CC(N)=O)C[C@@H]2O)ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1,0,0,0,0
N#CCNC(=O)c1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1,0,0,0,0
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccnc1,1,0,0,0
COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4c(=O)[nH]n(C)c4c3)NC(=O)NC1=O)C2,0,0,0,0
O=C(c1cc(F)ccc1F)C1CCCN(C(=O)c2ccc(F)cc2Cl)C1,0,0,0,0
CCNc1ncc2nc(-c3ccc(Cl)cc3)c(=O)n(-c3ccc(OC)cc3)c2n1,0,0,0,0
N#Cc1ccc(C2CCCc3cncn32)c(Cl)c1,0,0,0,0
CCOC(=O)c1cnn(-c2nc(OC)cc(OC)n2)c1C(F)(F)F,0,0,0,0
O=C1CC2(CCCC2)CC(=O)N1CCN1CCN(c2ccc(F)c(F)c2)CC1,0,0,0,0
Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(N(C)Cc2ccccc2)s1,1,0,0,0
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2c(Cl)cc(Cl)cc21,0,0,0,0
CCCCS(=O)(=O)N1C2=NC(C(=O)OC)=C(C(=O)OC)C3N(C)c4ccc(OC)cc4C23CC1C(=O)OC,1,0,0,0
CCC(C)NC(=O)c1c(-c2cc(Cl)c(OC)c(Cl)c2)noc1C,0,0,0,0
CSc1nc(N)c2ncn([C@@H]3O[C@H](COP(O)(=S)OP(=O)(O)C(Cl)P(=O)(O)OP(O)(=S)OC[C@H]4O[C@@H](n5cnc6c(N)nc(SC)nc65)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O)c2n1,0,0,0,0
c1ccc(CCCN2CCC(CNc3ncccn3)CC2)cc1,0,0,0,0
O=C(Nc1ccccc1)C1=C[C@@H](C2CC2)C[C@@H](OCCCCO)O1,0,1,0,0
COC(=O)C1C(C(=O)OC)C(C(=O)OC)N(c2ccc(OC)cc2)C1C(=O)OC,0,0,0,0
CCc1nn2cc(-c3nc4c(OC)cccc4o3)nc2s1,0,0,0,0
CCN1C(=O)c2cccc3c(S(=O)(=O)NC4CCCCC4)ccc1c23,0,0,0,0
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1,0,0,0,0
CC(C)C(c1nnnn1C(C)(C)C)N1CCC(Cc2ccccc2)CC1,0,0,0,0
CCC1CC(=O)NN=C1c1ccc2nc(-c3ccc(OCCN(C(C)C)C(C)C)cc3)oc2c1,0,0,0,0
Cc1ccc(-n2nccn2)c(C(=O)N2CCCN(c3ncc4ccccc4n3)CC2)c1,0,0,0,0
COc1cccc(N2C(=O)CC(N3CCc4ccccc43)C2=O)c1,0,0,0,0
CN(C)CCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4c(F)cccc43)ccc2=O)c1,0,0,0,0
O=C(Oc1ccccc1)c1ccc2nccnc2c1,0,0,0,0
Nc1nccc(-n2cc(-c3ccn[nH]3)c3cnccc32)n1,0,0,0,0
CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O,0,0,0,0
C[C@H]1CC[C@H]2C(=O)N3[C@H](c4ccccc4Br)[C@@H](C)CC[C@H]3C(=O)N2[C@@H]1c1ccccc1Br,0,0,0,0
COCCn1c(Sc2ccc(C)cc2)nc2c1c(=O)[nH]c(=O)n2C,0,0,0,0
COc1cc2c(Nc3ccc(-c4nc5cc(C(F)(F)F)ccc5s4)cc3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,0
N#CCC1(n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)CCN(Cc2cc(F)ccn2)CC1,0,0,0,0
C[C@H](c1ccc(F)cc1)N(Cc1cccc(C(=O)O)c1)C(=O)c1cc2ccccc2s1,0,0,0,0
c1cncc(CNc2ncncc2-c2ccoc2)c1,1,0,0,0
Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cccc(-c5ccn[nH]5)c4)CC3)nc2)c1,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1)N1CCC(O)(Cc2ccccc2)CC1,0,0,0,0
CCc1c(C(=O)O)cccc1-c1cc(C)cc(Nc2nccc(C(F)(F)F)n2)c1,0,0,0,0
N#CC1=C(N)Oc2c(oc(CO)cc2=O)C1c1cccs1,0,0,0,0
COc1cc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2cc1OCCCN1CCN(C)CC1,0,0,0,1
O=C(Nc1ccn[nH]1)N1CCN(c2nc(-c3ccccc3)ns2)CC1,0,0,1,0
COc1ccc(N2CCN(c3nc4c(c(=O)[nH]c(=O)n4C)n3Cc3cccc(C)c3)CC2)cc1,0,0,0,0
COc1cc2[nH]ccc(=O)c2cc1-c1cnco1,0,0,0,0
CCC(=O)NC[C@@H]1C[C@H]1c1cccc2c1OC(C(C)C)N2,0,0,0,0
COC(=O)C1=NNC2(c3ccc(C)cc3)C(=O)N(c3ccc(C)cc3)C(=O)C12,1,0,0,0
O=C(N/N=C/C1CC=CCC1)c1cc(Br)ccc1O,0,1,0,0
COc1nc(OCC(F)(F)F)c(Cl)cc1-n1c(=O)ccc2cc(S(=O)(=O)Nc3ccon3)ccc21,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(OC)cc3)CC2)C(=O)Nc2ccccc21,0,0,0,0
Cc1ccn2c(Nc3ccccc3C)c(-c3ccncc3)nc2c1,0,0,0,0
CC(C)(C)NC(=S)N1CCn2cccc2C1c1cccnc1,0,0,0,0
CC(C)CN[C@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
C#CCSc1ncc(S(=O)(=O)c2ccccc2)c(=O)[nH]1,0,0,0,0
CC(=O)N1CCC(n2cc(Nc3ncc4c(n3)-c3c(nn(C)c3-c3ccc(-c5cnn(C(C)C)c5)cc3)CC4)cn2)CC1,0,0,0,0
CCN(CC)Cc1ccc2c(c1)CC[C@H](N1CCN(CCc3ccccc3F)CC1=O)C2,0,0,0,0
COCCn1c(C)cc(C(=O)CSc2nnnn2C2CCCC2)c1C,0,1,0,0
CCCc1[nH]nc2c1C(c1ccc(Cl)cc1)c1c(nc3c(c1N)CCCC3)O2,0,0,0,0
Cc1ccc(C)c(-n2nnc(-c3nc(-c4ccc(Cl)cc4)no3)c2N)c1,0,0,0,0
Cc1ccccc1C(=O)OCc1cc(=O)n2nc(-c3cccs3)sc2n1,0,0,0,0
Cc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)o1,0,1,0,0
COc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccc2c(c1)OCCO2,0,1,0,0
Cc1nn(C)c2nnc(Nc3ccc(S(=O)(=O)N4CCCNCC4)cc3)nc12,0,0,0,0
COC(=O)c1ccc(C=NN2C(=O)CN(C(C)C)C2c2ccc(C(=O)OC)cc2)cc1,0,0,0,0
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cccc(Cl)c2N2CCOCC2)CC1,0,0,1,0
CCN(CC)C(=O)Cc1ccc(Cn2nnc3c2C(=O)c2ccccc2C3=O)cc1,0,0,0,0
Cc1cccc(C)c1NC(=S)NN=Cc1ccc(C(=O)O)cc1,0,0,0,0
CCSc1nc2c([nH]c3ccccc32)c(=O)n1C,1,0,0,0
Cn1ncc(Cl)c1C(=O)N1CCN(c2ncccn2)CC1,0,0,0,0
COc1ccccc1CCN=C(N)NS(=O)(=O)c1ccccc1,0,0,0,0
COC(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)CCC[C@@H](N1CCC(c3c(C#N)ccc(Cl)c3F)=CC1=O)c1ccnc-2c1,0,0,0,0
CCc1nc2ccn(Cc3cccnc3)c(=O)c2n1[C@H]1CCc2cc(-c3ccccc3-c3nn[nH]n3)ccc21,0,0,0,0
CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(OC)cc1,0,0,0,0
Cn1c(=O)c2c(nc(N3CCN(C(=O)c4ccco4)CC3)n2CCSc2ncccn2)n(C)c1=O,0,0,0,0
Cc1nnc(N2CCOCC2)c2nn(-c3ccccc3)c(C)c12,0,0,0,0
O=C(/C=C/c1cccc(/C=C/C(=O)c2ccccc2)n1)NO,0,0,0,1
Cc1ccc2n[nH]c(C)c2c1-c1nc2c(c(N3CC(N(C)C)C3)n1)CN(c1c(Cl)c(C3CC3)nn1C)CC2,0,0,0,0
CCn1ncc2cc3nc(c21)NCCOC[C@H](c1ccccc1)NC(=O)N3,0,0,0,0
COC(=O)C1=NNC2(c3ccc(Cl)cc3)C(=O)N(c3ccc(Cl)cc3)C(=O)C12,0,0,0,0
CC(=O)Nc1ccc2c(c1)C(=Nc1ccc(C(=O)O)cc1)c1ccccc1-2,0,0,0,0
COc1ccc(C=C2SC(=S)N(N3CCOCC3)C2=O)c(OC)c1,0,0,0,0
CCNC(=O)Oc1cccc(CN(C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0,0,0,0
CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)CN3CCCCCC3)cc12,1,0,0,0
Cc1cc(=O)oc2cc(OCC(=O)N3CCC(C(N)=O)CC3)ccc12,1,0,0,0
Cc1cc(C)cc(-c2cc3cc(C(C)(C)C(=O)NC(C)(C)C)ccc3n2CC(=O)OC(C)(C)C)c1,0,0,0,0
c1cc(-c2cnc3ncc(-c4cn[nH]c4)cn23)[nH]n1,0,0,0,0
C=CCN1C(=O)C(=O)c2ccccc2C1=O,0,0,0,0
CC1(C)C2CCC1(C)[C@@H](OC(=O)c1cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c1)[C@@H]2NC(=O)c1ccc(O)cc1,0,0,0,1
CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(O)cc4)n[nH]c2-3)CC1,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3F)nncc2c1-c1ccccc1Cl,0,0,0,0
CC(C)(C)n1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3)(C(F)(F)F)C2)n1,0,0,0,0
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1,0,0,0,0
CC(C)CNC(=O)N1CCn2c(Cl)c(-c3ccccc3)c(C(N)=O)c2C1,0,0,0,0
CN(C)C1CCC(Nc2c(C#N)cnc3ccc(-c4cc(F)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
COc1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)cc1,0,0,0,0
O=C(O)c1cc(-c2ccc(CNC(=S)c3ccc(-c4ccc(C(=O)O)o4)cc3)cc2)n(-c2ccc(Cl)c(Cl)c2)n1,0,0,0,0
CC(=O)N1CCC(C(=O)N2CCC(N3CCN(C(=O)c4cc(-c5ccccc5)nc(-c5ccc6[nH]c(C)cc6c5)c4)CC3)CC2)CC1,0,0,0,0
COc1cc2[nH]c(-c3ccc(F)cc3)c(CCCC(=O)NS(=O)(=O)N(C)C)c2cc1C#N,0,0,0,0
C=CC(=O)Nc1cc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3OC)ccc2N2CCN(C)CC2)ccc1C,0,0,1,0
O=C(O)C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21,0,0,0,0
COc1ccc([C@H]2CCN3C(=O)CC[C@@H]23)cc1OC1CCCC1,0,0,0,0
Cc1ccccc1Cn1c(=O)n(Cc2ccc3c(c2)OCO3)c(=O)c2oc3ccccc3c21,0,0,0,0
CC(Oc1ccccc1S(C)(=O)=O)C1=NCCN1,0,0,0,0
CC(C)NC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(C(=O)NCCc3ccc(Cl)cc3)cc12,0,0,0,1
Cc1ccc(-c2csc3[nH]cnc(=O)c23)cc1,0,0,0,0
Cc1cc(C(=O)O)ccc1-c1cc(F)cc(C2=C(CN3C(=O)O[C@H](c4cc(C(F)(F)F)cc(C(F)(F)F)c4)[C@@H]3C)CC(C)(C)CC2)c1,0,0,0,0
COc1ccc(C(=O)ON=C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1,0,0,0,0
O=C1CC(N2C(=O)C(=CC=Cc3ccccc3)SC2=S)C(=O)N1c1ccccc1,1,0,0,0
COc1ccc(Nc2cc(Nc3ccccc3)ncn2)cc1,0,0,0,0
N#Cc1cc2c(nc1SCC(=O)Nc1sc3c(c1C#N)CCC3)CCCCC2,1,0,0,0
O=C1CC(C(=O)N2CCN(c3ccccc3Cl)CC2)CN1Cc1ccccc1,1,0,0,0
NC(=O)c1cccc(Cn2ccc3cc(-c4cc(-c5ccccc5)cc(=O)n4O)cnc32)c1,0,0,0,0
Cc1cccc(C)c1N1C(=O)CC(N2CCSCC2)C1=O,0,0,0,0
Cc1ccc(CC2C(=O)N(c3ccc(C)cc3)C(=O)C2C)cc1,0,0,0,0
CCOC1=CC(=CCc2ccc3cccc([N+](=O)[O-])c3n2)C=C(Cl)C1=O,0,0,0,0
COc1ccc2c(c1)c(=O)cc(-c1ccccc1)n2C,0,1,0,0
Cc1ccc(-n2c(O)c(/C=C3/C(c4ccccc4)=Nc4ccccc43)c(=O)[nH]c2=O)cc1,0,0,0,0
CCOc1cc(S(=O)(=O)NCCc2cccc(C)c2)c(OCC)cc1-n1cnnn1,1,0,0,0
CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1coc2cc(Oc3nc4ncccc4s3)ccc12,0,0,0,0
COc1ccc(C(=O)Cc2cc(OC)c(OC)cc2C(=O)c2ccccc2F)cc1OC,1,0,0,0
Cn1c(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc2sccc21,0,0,0,0
Cc1cccc2nc(-c3ccc(N(C)C)cc3)c(Nc3ccc4c(c3)OCO4)n12,0,0,0,0
N#Cc1ccnc(Nc2cc(C3CCN(C4COC4)CC3)n(CC3CCC3)n2)c1,0,0,0,0
COC(=O)c1sccc1NC(=O)CC1C(=O)NCCN1C(=O)Nc1ccc(C(F)(F)F)cc1,1,0,0,0
COc1ccc(Cc2cc([C@@H]3O[C@H](CO)C[C@H](O)[C@H]3O)ccc2Cl)cc1,0,0,0,0
CN(C)CCOc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cn1,0,0,0,0
Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1,0,1,0,0
CC1CC(c2c(F)cccc2OCCF)N(Cc2ccc(OC(F)(F)F)cc2)C1=O,0,0,0,0
C/C(N)=C(/C#N)C(=O)COC(=O)c1cc2c(s1)CCCC2,0,1,0,0
CCOC(=O)c1csc(NC(=O)c2ccc(OCC)cc2)n1,0,1,0,0
O=C(O)C1CCC(CNCc2ccncc2)CC1,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(-c2ccc(Cl)cc2Cl)o1,1,0,0,0
Clc1ccccc1CN1CCNCC1,0,0,0,0
CCOC(=O)CCSc1nc(C)c2cc(OC)ccc2n1,0,1,0,0
CCn1c(SCc2ccc(F)cc2Cl)nc(=O)c2c(C(=O)OC)cc(C3CC3)nc21,0,0,0,0
O=C1C(=Cc2cccnc2)SC(=S)N1NS(=O)(=O)c1ccccc1,0,0,0,0
O=C1Nc2ncccc2[C@@]12Cc1cc3ccc(CN4CCNCC4)nc3cc1C2,0,0,0,0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(OC(F)(F)F)cc21,0,0,0,0
COCCCN(Cc1cccs1)S(=O)(=O)c1c[nH]c(C(=O)OC)c1,0,0,0,0
CN(C)[C@@H]1CC[C@@H](n2cc(C(N)=O)c(Nc3ccc(OC(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
COCCOc1ncccc1C1C(C(=O)C2CCCC2)C(=O)C(=O)N1c1ccc(-c2ccon2)cc1,0,0,0,0
CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OC2C3CC4CC2CC(F)(C4)C3)cc1F,0,0,0,0
N#Cc1cc(S(=O)(=O)Nc2ncns2)ccc1Oc1ccc(Cl)cc1C1CNC1,0,0,0,0
CCNC(=O)c1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN(CCO)CCO)cc1,0,0,0,0
COc1cc(N2CCC(N3CCNCC3)CC2)ccc1Nc1nc2c(c(Nc3ccccc3P(C)(C)=O)n1)CCN2,0,0,0,0
O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-],0,0,0,0
CC(=O)N1CCCC1c1cncc(-c2cnc3c(c2)CCCN3C(N)=O)c1,0,0,0,0
Cc1cc(C)[n+](-c2ncc[nH]2)c(C)c1,0,0,0,0
COc1cc2nc(N3CCC(N4CCC(F)CC4)CC3)nc(NC3CCCCCC3)c2cc1OC,0,0,0,0
CN(C)Cc1nc2c(sc3ccc(Br)cc32)c(=O)[nH]1,0,0,0,0
CN(C)c1ccc(NC=C2N=C(c3ccccc3)OC2=O)cc1,0,0,0,0
O=C(O)CCCOc1cccc(CCCCCCOc2cc(-c3ccccc3)cc(-c3ccccc3)c2)c1CCC(=O)O,0,0,0,0
CC(C)CC1(C)N=C(c2ccccc2)C(=S)N1,0,0,0,0
O=c1c(CCc2ccccc2)nc2cnc(Oc3ccccc3)nc2n1C1CC1,1,0,0,0
CCOc1ccccc1-c1ccc2c(N)nc(N)nc2c1,0,0,0,0
Cc1ccc(CN(C(=O)CNC(=O)c2cccs2)C(C(=O)NCC2CCCO2)c2ccccc2)cc1,1,0,0,0
C[C@@]1(c2sc(-c3ccnc(-c4ccco4)c3)cc2Cl)CS(=O)(=O)[C@]2(CCOC2)C(N)=N1,0,0,0,0
O=[N+]([O-])c1cccc2c1ccc1ncccc12,0,0,0,0
OC1(c2ccc(Cl)cc2)CCN(Cc2c[nH]c3ccccc23)C1,0,0,0,0
CN(C)CC(=O)N1CCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c2C1,0,0,0,0
Cc1ccc(-c2ccc(O[C@@H](Cc3ccccc3)C(=O)O)cc2)cc1,0,0,0,0
C#Cc1ccc(C2C=C(C(=O)NCc3ccccc3)OC(OCCCCO)C2)cc1,0,0,0,1
COc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCN(c4ccccn4)CC3)cc2)cc1,1,0,0,0
Cn1/c(=N/N=C/c2ccc([N+](=O)[O-])cc2)sc2ccccc21,0,1,0,0
Cc1cccc(C)c1-n1cccc1/C=C1/C(=N)N2C(=NC1=O)SN=C2S(C)(=O)=O,0,1,0,0
Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1cccc(C(F)(F)F)c1,0,0,0,0
CCc1c2nc(-c3cc(S(=O)(=O)N4CCN(CC)CC4)cnc3OCC(C)C)[nH]c(=O)c2nn1CCOC,0,0,0,0
COC(=O)C1=C(C)OC(N)=C(C#N)C1c1ccc(OC)c(CSc2ccccn2)c1,1,0,0,0
COc1ccccc1OCC(=O)Nc1oc(-c2ccccc2)c(-c2ccccc2)c1C#N,1,0,0,0
NC(=O)n1ccc2ccc(-c3ccc(CN4CCCC4)cc3)nc21,0,0,0,0
COc1cc(Cl)ccc1-c1cccc2cc(S(=O)(=O)Nc3ncns3)ccc12,0,0,0,0
NCC1(c2cccc(Cl)c2)CCC(n2nc(-c3ccccc3)ccc2=O)CC1,0,0,0,0
COCc1cccc(-n2nc(C(=O)N3CCOCC3)c3c2-c2ccccc2S(=O)(=O)C3)c1,0,0,0,1
O=c1ccc2c(-c3nnc(N4CCC(N5CCCCC5)CC4)s3)cccc2[nH]1,0,0,0,0
Cc1nc(-c2cccc(S(=O)(=O)N3CCC(C)CC3)c2)cs1,0,0,0,0
CCNC(=S)Nc1sc2c(c1C#N)CCC(C)C2,0,0,0,0
COc1cc(C)c(-c2ccc(C(=O)O)cc2)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1cccc(Cl)c1Cl,1,0,0,0
CC(=O)c1ccc(OC(C)C)c(CSc2nc(=O)cc(O)[nH]2)c1,0,0,0,0
O=S(=O)(c1ccc(Cl)c(NC(=S)Nc2ccccc2N2CCOCC2)c1)N1CCOCC1,0,0,0,0
O=C(C1=CC(c2ccc(C(F)(F)F)cc2)CC(OCCCCO)O1)N1CCN(Cc2ccccc2)CC1,1,0,0,0
Cc1cc(F)cnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl,0,0,0,0
O=C(O)c1ccccc1-n1c2ccccc2c2ccccc21,0,0,0,0
O=C(CNC(=O)Cn1ccc2ccccc2c1=O)NCCCN1CCCCCC1,1,0,0,0
Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1Cl,0,0,0,0
COc1ccc(CCN2C(=O)CC(NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC,0,0,0,0
Cn1cc(CN2CCCC(CNS(=O)(=O)c3cccc4cccnc34)C2)cn1,0,0,0,0
Cc1cc(COC2C3CCN(CC3)C2C(c2ccccc2)c2ccccc2)cc([Si](C)(C)C)c1,0,0,0,0
CCOc1ccc(-c2cc(CCCC(=O)N3CCN(c4ccc(OC)cc4)CC3)no2)cc1,1,0,0,0
N=C(N)c1ccc(F)c(CN2CC[C@H](NS(=O)(=O)c3ccc(-c4cccnc4)s3)C2=O)c1,0,0,0,0
COc1cccc(NC(=O)Cn2c3ccc(F)cc3c3nc4n(c(=O)c32)CCS4)c1,1,0,0,0
CN[C@@H](C)C(=O)N[C@H]1CN(C(=O)c2cccc(F)c2)c2ccccc2N(Cc2c(OC)ccc3cc(Br)ccc23)C1=O,0,0,0,0
c1ccc(CN2CCC3(CCCc4ccccc43)CC2)cc1,0,0,0,0
CC(C)(O)C(=O)NN(Cc1ccccc1)c1ccccc1,0,0,0,0
COc1ccc2nc(C)c3c(C)nc(-c4c(C)noc4C)n3c2n1,0,0,0,0
c1ccc2c(Cc3cnc[nH]3)csc2c1,0,0,0,0
O=C1C=C(N(CCO)Cc2ccccc2)c2ccccc2C1=O,0,0,0,0
CC(C)(C)CC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1,0,0,0,0
O=C1C=Cc2cc(S(=O)(=O)O)cc(S(=O)(=O)O)c2C1=NNc1cccc2ccccc12,0,0,0,0
c1ccc(-c2cn3c(n2)-c2ccccc2C3)cc1,0,1,0,0
COc1ccc(-c2cnc3c(c2)CCC3(C#N)C#N)cc1,0,0,0,0
COc1ccc(-c2nnnn2C(C)C)cc1S(=O)(=O)Nc1ccccc1,0,0,0,0
COC(=O)/C=C/CNC(=O)c1cc(-c2ccc(C)cc2)no1,0,0,1,0
COC(=O)C(C)CN(c1ccc2nc(C)n(Cc3ccc4ccc(C(=N)N)cc4c3)c2c1)C1CCN(C(C)=N)CC1,0,0,0,0
CN(CCOc1ccc2c(c1)C(Cc1ccccc1)C(N1CCCC1)CC2)S(=O)(=O)CC1CC1,0,0,0,0
O=C(O)CCCCCC(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1cccnc1,0,0,0,0
CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccnc(N)n2)C1,0,0,0,0
Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2N(C)C)cc1,0,1,0,0
C=CCn1c(SCC#N)nnc1-c1ccc2ncccc2c1,0,0,0,0
Cc1snc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12,0,0,0,0
COc1ccc(-c2cc3nc(CCl)[nH]c(=O)c3s2)cc1,0,1,0,0
COCCOc1cc(CC2CCN(CCc3ccc4occc(=O)c4c3)CC2)ccc1Br,0,0,0,0
CC1(C)COc2c(NCCNc3ccccn3)c(F)c(N)c3c(=O)c(C(=O)O)cn1c23,0,0,0,0
OC1(C(F)(F)F)c2ccccc2-c2c(Cl)cc(F)cc21,0,0,0,0
Nc1nc(Cl)c2c(Cc3ccccc3)cn(Cc3cc4c(cc3I)OCO4)c2n1,0,0,0,0
CCc1cccc(Nc2cc(C)nc3ncnn23)c1,0,0,0,0
CC(C)[C@H]1COC(=O)N1c1ccnc(N[C@@H](C)C2CCCCC2)n1,0,0,0,0
COc1ccc(CCCCOc2ccc(NC(=O)[C@@](C)(N)COP(=O)(O)O)cc2)cc1,0,0,0,0
CNS(=O)(=O)c1ccc(SC)c(Nc2ncnc3[nH]ccc23)c1,0,0,0,0
COc1ccc([C@@H]2C[C@H]2COc2cc(NCc3cccnc3C)c(=O)n(C)n2)nc1,0,0,0,0
COc1ccc(NC(=O)C(=O)NCCc2ccc(OC)c(OC)c2)c(OC)c1,1,0,0,0
Cc1c([C@@H](O)CN2C3CCC2C2CCC3N2C(=O)c2ccc(-n3cnnn3)nc2)ccc2c1COC2=O,0,0,0,0
CC(=NNC(=S)N1CC2CCC(CC2)C1)c1ccncn1,0,0,0,0
O=C1CCCCC1=NNc1ccc(OCc2ccccc2)cc1,1,0,0,0
CCN(CC)C(=O)Cn1cnc2sc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c(C)c2c1=O,0,0,0,0
Oc1cccc2c1CCCC2c1cnc[nH]1,0,0,0,0
COCCCNC(=O)c1cc(=O)n(Cc2ccc(Cl)cc2)c2ccccc12,1,0,0,0
Cc1nc2c(=O)n(C)c(=O)n(C)c2nc1Cl,0,0,0,0
COc1ccc(N2C(=O)CC(Cc3ccccc3OC)C2=O)cc1,0,0,0,0
CS(=O)(=O)c1ccc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cc1F,0,0,0,0
COc1ccccc1CNS(=O)(=O)c1c(C)nc2scc(C)n2c1=O,0,0,0,0
O=c1cc(N2CCOCC2)nc2n(Cc3cccc(F)c3)ccn12,0,0,0,0
O=c1oc2ccccc2cc1-c1csc(Nc2nc3c(F)cccc3s2)n1,1,0,0,0
CCN1C(=O)CC(C)(C)c2cc(C)c(-c3cc(CC(C)C(=O)O)ccc3OC(F)(F)F)cc21,0,0,0,0
CCc1ccc(-c2nc3ccc(NCc4cccc(C(F)(F)F)c4)cc3n(CCNC(C)=O)c2=O)cc1,0,0,0,0
CN1CC[C@@](O)(C#Cc2ccc3c(c2)-c2nc(C(N)=O)sc2[C@](F)(CF)CO3)C1=O,0,0,0,0
Cc1cc(C)cc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2cc(C)on2)c1,1,0,0,0
CCC[n+]1ccc2c(c1)c1ccccc1n2CCCCCCCCCn1c2ccccc2c2c[n+](CCC)ccc21,0,0,0,0
Cn1c(=O)n(Cc2cc(C(=O)O)cc(C(=O)O)c2)c(=O)c2c1nc(N1CCC[C@@H](N)C1)n2Cc1ccccc1Cl,0,0,0,0
O=C1OC2(CCC(CNc3cnn(-c4ccccc4F)c3)CC2)CN1c1cccnc1F,0,0,0,0
COc1cccc2[nH]c3c(=O)n(CCN(C)C)cnc3c12,0,0,0,0
Cc1cc(N=Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c(N)c(C)c1O,0,0,0,0
Cc1cnc(Cl)nc1-c1ccc(N(Cc2ccc(C#N)cc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CC[C@H](C)N1C(=O)C(C)(C)c2cnc(Nc3ccc(S(C)(=O)=O)cc3)nc21,0,0,0,0
CC(=O)OCc1cc(=O)n2nc(C3CCCCC3)sc2n1,0,0,0,0
CCOc1ccc(Cl)cc1-c1cc(N)nc(Nc2ccc(Cl)cc2)c1,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2ccccc2Cl)c[nH]1,0,0,0,0
CC(C)(C)c1cc2cccnc2n1Cc1cccc(F)c1,0,0,0,0
CCCS(=O)(=O)N1CCN=C1SCc1ccc(C)cc1,0,0,0,0
O=C(O)c1cc(NCc2ccccc2O)ccc1O,0,0,0,0
O=C(O)CCNc1sc2c(c1CC(=O)NNC(=S)S)CCCC2,0,0,0,0
COCCN1C[C@@H]2C[C@H]1CN2c1cc(-c2cnc(N)c(C(F)(F)F)c2)nc(C2CC2)n1,0,0,0,0
Cc1cc(F)c(F)cc1C(=O)N1CCCC1,0,0,0,0
CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1,0,0,0,0
Cc1c(Cc2ccccc2S(=O)(=O)c2ccccc2)c2c(n1[C@H](C)C(=O)O)CCNC2=O,0,0,0,0
O=C1c2c(c3c4ccc(O)cc4n(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c3c3[nH]c4cc(O)ccc4c23)C(=O)N1NCc1cccc(O)c1,0,0,0,0
Clc1ccc(Sc2cc(Cl)c(-c3ccccc3)nn2)cc1,0,0,0,0
C(=C\c1nccc2c1[nH]c1ccccc12)\c1ccc2c(c1)OCO2,0,1,0,0
CC1CN(c2ccc(NC(=S)Nc3ccc(N4CC(C)OC(C)C4)cc3)cc2)CC(C)O1,1,0,0,0
O=C(c1ccco1)c1cn(CC(=O)N2CCCCC2)c2ccccc12,0,0,0,0
CNC(=O)c1ccc(C)c(Nc2nc(N3CCCN(C)CC3)nc3c2cnn3-c2ccccc2)c1,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)NC(N)=NCCc2ccccc2OC)c1,0,0,0,0
CN(C)c1ccc(C(=O)OCC(=O)N2CCCCCC2)cc1,0,0,0,0
O=C(O)CCC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4c(c3)OCCO4)ccc21,0,0,0,0
COCCNc1cc(NC(=O)N2CCCc3cc(CN(C)C(C)=O)c(C=O)nc32)ncc1C#N,0,0,1,0
Cc1ccc(C=CS(=O)(=O)NCc2ccc(F)cc2)cc1,0,0,0,0
Cc1cc(C(=O)CN2CC(C)OC(C)C2)c(C)n1-c1ccccc1,1,0,0,0
CC1CCN(c2ccc(C(=O)NCCc3ccccc3)cn2)CC1,0,1,0,0
Cc1ccncc1-c1cccc2c1ncn2-c1ncc(F)cc1F,0,0,0,0
Cc1cc(=O)oc2cc(OCCCC[n+]3ccccc3)ccc12,0,0,0,0
COc1ccc(Br)cc1CNCCSc1nnnn1C,0,0,0,0
CC1CCN(c2nn(-c3nc(C(=O)O)cs3)c3ccccc23)CC1,0,0,0,0
C=CC(=O)Nc1cc(N)nc(Sc2c(OCC)nc(N3CCCCC3)nc2OCC)n1,0,0,1,0
COCCOc1nc(C(=O)N[C@@H](CC(C)C)C(N)=O)ccc1N1CC(F)(F)C1,0,0,0,0
c1ccc2c(CCC3CCNCC3)c[nH]c2c1,0,0,0,0
Cc1cccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)c1,1,0,0,0
CCOc1ccc(NC(=O)CCN2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)cc1,1,0,0,0
C=CCNC(=O)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1,0,0,0,0
CC(C)(C)N[C@@H]1CCC(n2cc(C(N)=O)c(Nc3ccc(C(F)(F)F)cc3)n2)[C@H](C#N)C1,0,0,0,0
COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1OCC1(O)CC(F)(F)C1,0,0,0,0
CC=Cc1ccc(OCC(=O)OCC2=C(C(=O)OCC)C(C)NC(=O)N2)c(OC)c1,0,0,0,0
CCCCc1sc(-c2c(C#N)c(N)nc3c2CCCCC3)cc1[N+](=O)[O-],0,0,0,0
Clc1ccc(-c2cc3ccccc3[nH]2)cc1,1,1,0,0
O=C(NN1CCOCC1)c1cc(-c2ccc(Br)cc2)nc2ccccc12,1,0,0,0
COc1cc2c(cc1OCCCN(C)C)ncc1c(N)nc3c(C)c(N)ccc3c12,0,0,0,0
O=C(OCC(=O)N1CCc2ccccc21)c1ccc[n+](O)c1,0,0,0,0
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3CC=C4C=C(OC5CCCC5)CC[C@]4(C)[C@H]3CC[C@@]21C,0,0,0,0
COc1ccc2cc(CN3C(=O)CCCC3c3c(OC)cccc3OC)ccc2c1,0,0,0,0
COc1ccc(C=C2C(=O)ON=C2C)cc1Br,0,0,0,0
COc1ccccc1-c1ccc(C[C@H](NC(=O)C2CCC(=O)N2)C(=O)O)cc1,0,0,0,0
COc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3)c2=O)cc1,0,0,0,0
Cc1ccc2nc(-c3ccncc3)c(Nc3ccccc3C)n2c1,0,0,0,0
COc1ccc(OC)c(NC(=O)CSc2nnc(CNc3ccc(C)cc3C)o2)c1,1,0,0,0
O=C(c1cc(Br)ccc1Cl)N1CCN(c2ncccn2)CC1,0,0,0,0
O=C(Nc1ccc2c(c1)CCC2)c1ccccc1,0,1,0,0
CC(N)C(=O)NC1CCC(Nc2c(C(=O)C(C)(C)C)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)CC1,0,0,0,0
Cc1nnc(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3-c3ccnn3C)c(C#N)c2)s1,0,0,0,0
O=C1CC(N2CCSCC2)C(=O)N1c1cccc(Cl)c1,0,0,0,0
CC(C)(C)NC(=O)c1cnn2ccc(N3CCC[C@@H]3c3cc(F)c[nH]c3=O)nc12,0,0,0,0
Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(=O)[nH]c3)cc2)cc1,0,0,0,0
CN(C)Cc1nc2c(sc3ccc(-c4ccsc4)cc32)c(=O)[nH]1,0,0,0,0
CC(C)(C)c1cc(CN2CCN(CC(O)c3ccc(Cl)cc3)CC2)cc(C(C)(C)C)c1O,0,0,0,0
COc1cc2c(nc1C=O)N(C(=O)Nc1ccc(C#N)cn1)CCC2,0,0,1,0
CCCC(=O)Nc1sc(Cc2ccccc2)c(C)c1C(N)=O,0,0,0,0
COc1cc(CNc2ccc(C(=O)O)cc2)cc(Br)c1OCC(=O)NC(C)(C)C,0,0,0,0
CC(C)C(c1ccccc1)C(O)CC[N+]1(C)CCCCC1,0,0,0,0
CCN(CC)c1ccc(NC(=O)CN2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)cc1,1,0,0,0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1cnc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1,0,0,0,0
COc1cccc2c1C(=O)CC1(CCN(C(=O)c3ccc4nc(C)[nH]c4c3)CC1)O2,0,0,0,0
CC(C)OC(=O)CSc1nnc(SCc2cccc3ccccc23)s1,0,0,0,0
C[C@H]1O[C@@H](n2cc(-c3ccccc3)c3c(NCC(=S)NC4CC4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
COc1cc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23O)ccc1O,0,0,0,0
CCN(Cc1ccccc1)c1ccc(C=NNC(=N)N)cc1,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NS(=O)(=O)c2cccs2)c1,0,0,0,0
CC(=O)Nc1ccc(C(=O)N(C2=NC(C)CS2)c2ccc(Cl)cc2)cc1,1,0,0,0
C=C(CO)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
Cc1cc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)ccc1C(C)C,0,0,0,0
COc1ccc(CCNS(=O)(=O)c2ccc(Cl)s2)cc1OC,0,0,0,0
CCCC(CCC)C(=O)NCc1ccc2c(cnn2-c2cccc(C)c2C)c1,0,0,0,0
COC[C@H]1CCCN1c1cc(Nc2nccs2)nc(-n2nc(C)cc2C)n1,0,0,0,0
COCC(=O)N1CCC(Oc2ccc(C(=O)N3CCCCCC3)cc2)CC1,0,0,0,0
O=C(NC1CCCCCC1)C1CCN(c2nc3ccccc3o2)CC1,1,0,0,0
C=CC(=O)Nc1cccc(CNc2nc(Nc3ccc(N4CCNCC4)cc3OC)ncc2C2CC2)c1,0,0,0,0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c(=O)n(CCC3CC3)c12,0,0,0,0
Cc1nnc(SCC(=O)NCc2ccco2)[nH]c1=O,0,0,0,1
Cc1sc(N=Cc2c(O)ccc3ccccc23)c(C#N)c1C,1,0,0,0
CC(C)COc1ccc(C(=O)Nc2nnc(S(=O)(=O)N(C)Cc3ccco3)s2)cc1,1,0,0,0
CCNC(=O)Nc1ccc2ncc(-c3ccc(N)cc3)nc2n1,0,0,0,0
CCN(CC)c1ncnc2ccc(Br)cc12,0,0,0,0
O=C(O)CN1C(=O)C(NC(CCc2ccccc2)C(=O)O)CCc2ccccc21,0,0,0,0
Cc1ccn2cc(C(=O)N3CCCC(Nc4ccc(F)cc4)C3)nc2c1,0,0,0,0
N[C@H]1CN(C(=O)c2cc3ccccc3cn2)C[C@H]1C(=O)N1CCCC1,0,0,0,0
Cn1ccnc1-c1nnc2n1CCN(C(=O)c1ccc(F)cc1Cl)C2,0,0,0,0
CCCn1c(C)nc2c(NCCN3CCOCC3)nc(C)nc21,0,0,0,0
COC(=O)CCCOC(=O)C1=C(COC(C)=O)CS(=O)(=O)[C@@H]2[C@@H](OC)C(=O)N12,0,0,0,0
CCOC(=O)C=CC(=O)Nc1sc2c(c1C(N)=O)CCCC2,0,0,1,0
Cc1ccc(C)c(NC(=O)C2CC(=O)N(C(C)C)C2)c1,0,0,0,0
Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc2nccnc2c1,0,0,0,1
O=C(OC(C(F)(F)F)C(F)(F)F)N1CCN(Cc2cc(Cl)ccc2N2CCOCC2)CC1,0,0,1,0
O=[N+]([O-])c1ccc(OCCNCCCOc2ccccc2)cc1,0,0,0,0
Cc1ccc(C)c(C(=O)N2CCN(c3ncccn3)CC2)c1,0,0,0,0
O=C(c1ccc(CO)o1)N1CCOC2(CCN(Cc3ccc(Cl)cc3)CC2)C1,0,0,0,0
O=S(=O)(/C=C/CSc1nc2ccccc2s1)c1ccccc1,0,0,1,0
CCCc1ccc(Oc2c(-c3ccc(O)c(C)c3O)n[nH]c2C)cc1,0,0,0,0
Cc1n[nH]c(NC=C2C(=O)CC(c3ccco3)CC2=O)c1-c1ccccc1,1,0,0,0
C[C@@H]1CCCN1CCCOc1ccc(C2=NNC(=O)C(c3ccccn3)C2)cc1,0,0,0,0
Cc1cc(Nc2cc(-n3cc(C)cn3)ccn2)nc(-c2cnc(C3(O)CCCc4cc(C(=O)O)ccc43)s2)c1,0,0,0,0
CS(=O)(=O)O.Nc1ncnc2c1ncn2C1CCCC1,0,0,0,0
CC(C)[C@@H]1CN(CCCO)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncc[nH]4)cc3)c2n1,0,0,0,0
COc1ccc(-n2nc(C(=O)NCC(=O)N3CCOCC3)c3ccccc3c2=O)cc1Cl,0,1,0,0
Cc1ccc(S(=O)(=O)CC(O)CN2CCCC2=O)cc1,0,0,0,0
CN1C(=O)C2(CCN(CC3CCCCCCC3)CC2)c2cc(C(F)(F)F)ccc21,0,0,0,0
Cc1cc(N=S2(=O)CCC2)cc2ncnc(Nc3ccc(F)cc3O[C@@H](C)C(=O)N(CC(F)(F)F)CC(F)(F)F)c12,0,0,0,0
C[C@@H]1CN(CCCc2ccccc2)[C@@H]2CCC[C@]1(c1cccc(O)c1)C2,0,0,0,0
CCOc1cccc(-n2cc(C(=O)N3CCN(c4cnc5ccccc5c4)CC3)nc2-c2ccc(C)cc2)c1,0,0,0,0
Cc1ccc(C=NN2C(=O)CN(C(C)C)C2c2ccc(C)cc2)cc1,0,0,0,0
COc1ccc(S(=O)(=O)Oc2ccc3c(C)c(C)c(=O)oc3c2)cc1,0,0,0,0
CC(=O)Nc1sc2c(c1C#N)CCCC2,0,0,0,0
CC(=O)c1ccc(N2CCN(c3ccccc3O)CC2)c([N+](=O)[O-])c1,0,0,0,0
COc1ccc(N2CCN(C(=O)c3cc4c(=O)oc5ccc(C)cc5c4s3)CC2)cc1,0,0,0,0
COc1cc(CN2CCN(Cc3ccc(C)cc3)C(CCO)C2)cc(OC)c1O,1,0,0,0
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc4c(c3)OCO4)N2C(=O)CN1[C@@H]1CCN(Cc2ccccc2)C1,0,0,0,1
COc1ccc2c(c1)C1=C(CCC(C)(C)O1)C(=O)C2=O,0,0,1,0
Cn1c(NCC2CCCO2)nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C,0,0,0,0
NC(=O)c1ccc(-n2c(CCC(=O)O)ccc2-c2cccs2)cc1,0,0,0,0
Cc1cc(F)ccc1[C@H]1CCN(C[C@@H]2Cc3cccnc3[C@@H](O)C2)C[C@@H]1O,0,0,0,0
CCCCCCCCCC(=O)N(CCN(C)C)C(C)c1nc2ccccc2c(=O)n1-c1ccc(C#N)cc1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5C)c4s3)CC2)cc1,1,0,0,0
Cc1cc(NC(=O)CCC(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)c(Cl)c2)no1,1,0,0,0
O=C(O)c1ccc(N2CCOCC2)c(N2C(=O)C3C4C=CC(C4)C3C2=O)c1,0,0,0,0
CCOc1cccc(NC(=O)/C(C#N)=C/c2cccnc2)c1,0,1,0,0
Cc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(n(-c4ccc(F)cc4)c(=O)[nH]c3=O)N2)c1,0,0,0,0
CC12CN3CC(C)(CN(C1)C3c1ccc(Cl)cc1Cl)C2O,0,0,0,0
NC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)[nH]n2c1nc1cc(N)ccc12,0,0,0,0
O=C(Oc1ccccc1-c1nnco1)c1ccc(Cl)cc1,0,0,0,0
Cc1cccc2c1OP(=O)(OCCOCn1cnc3c(O)nc(N)nc31)OC2,0,0,1,0
CC1(C)CCC2=C(O1)c1cc(O)ccc1C(=O)C2=O,0,0,1,0
COc1ccc(C(=O)C2CCCN(C(=O)c3cccc(Cl)c3F)C2)cc1OC,1,0,0,0
COc1ccccc1C(CC(=O)O)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC(C)O2,0,0,0,0
COc1ccc(/C=N/OC(=O)Nc2ccccc2OC)cc1,0,1,0,0
CC(C)CCC(CCNCc1ccccn1)c1ccc2c(c1)OCO2,0,0,0,0
COC1(c2cn(C3=NCC(=O)N4CCc5c(cccc5-c5ccc(F)nc5)C4=C3)cn2)CC1,0,0,0,0
CC(=O)NCCOc1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cc1C(=O)O,0,0,0,0
C[C@H]1CN2CCN(Cc3ccc(Cl)cc3)C[C@H]2C[C@@]1(C)c1cccc(O)c1,0,0,0,0
CC(C)CCc1cc(=O)oc2[nH]c(=O)[nH]c(=O)c12,0,0,0,0
Cc1ccc(S(=O)(=O)N=C(c2ccccc2)N2CCOCC2)c(C)c1,0,0,0,0
COc1ccc(CNc2ccc(C)cc2)cc1Br,0,0,0,0
CC1(C)OC(=O)N(Cc2ccc3c(-c4ccc(F)cc4)cc(C(N)=O)nc3c2)C1=O,0,0,0,0
COc1ccc(CNCCCN(C)c2nc(-n3ccnc3)ns2)cc1OC,0,0,0,0
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)NC(C)C12CC3CC(CC(C3)C1)C2,1,0,0,0
Cc1ccc(CCNc2ncc(C)n(CC(=O)N(C)CCON=C(N)N)c2=O)cc1,0,0,0,0
COc1ccc(-c2nc3cnc(Nc4cccc(OC)c4)nc3n(CCC#N)c2=O)cc1,0,0,0,0
CCN(CC)C(=O)c1ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
O=C(Nc1nccs1)c1ccc(-c2ccc(Cl)cc2Cl)o1,0,1,0,0
CN(C)c1ccc(C(=O)OCC(=O)c2cccs2)cc1,0,1,0,0
CCCCCCc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
COc1cc2cc(-c3ccc(CN(C)Cc4ccccc4[N+](=O)[O-])cc3)c(=O)oc2cc1OC,0,0,0,0
CSc1ccc(OC2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
Cn1nccc1-c1nnc2n1CCN(C(=O)c1cccc(Cl)c1Cl)C2,0,0,0,0
O=c1ccnc(NCCc2ccccc2)[nH]1,0,0,0,0
CNc1cccc(CCOc2ccc(C[C@@H](CC(=O)O)c3ccccc3)cc2)n1,0,0,0,0
N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1,0,0,0,0
O=c1ccc2c(OCCCCOc3ccc(F)cc3)c3ccoc3cc2o1,0,0,0,0
O=C1[C@@H]2CCC[C@@]1(c1cccc(O)c1)CCN2CCc1ccccc1,0,0,0,0
Cc1cc(C)c(CN2C(=O)c3ccccc3S(=O)(=O)c3ccc(C(=O)OCC4CCCO4)cc32)c(C)c1,1,0,0,0
CC1(C)C(C(=O)c2cn(CC3CCOCC3)c3c(CC4CCOCC4)c4c(cc23)OCO4)C1(C)C,0,0,0,0
Cc1cccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)c1,0,0,0,0
CC(C)NC(=O)c1cn(-c2cccc(-c3ccc(S(C)(=O)=O)cc3)c2)c2ncccc2c1=O,0,0,0,0
Cc1cccc(-c2ccc(/C=C/[C@H]3[C@@H]4CCC(F)(F)C[C@H]4C[C@H]4C(=O)O[C@H](C)[C@@H]34)nc2)c1,0,0,0,0
COc1ccc(-c2noc(-c3nnn(-c4cc(C)ccc4C)c3N)n2)cc1,0,0,0,0
CN1CCCC2(CCN(C(=O)c3cccn3C)CC2)C1,1,0,0,0
CCCc1nc(C)c2c(NS(=O)(=O)CC)nc3ccc(OC)nc3n12,0,0,0,0
CC(C)N1OC2CC1c1nc3ccccc3n1C2,0,0,0,0
Oc1ccc(NCc2ccc(OCc3ccccc3Cl)cc2)cc1,0,1,0,0
CC(C)(C)OC(=O)N1CCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1,0,0,0,0
CC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CCN(C)C)CC1,0,0,0,0
O=c1[nH]c(=S)[nH]c2sc3c(c12)CCCCCC3,0,0,0,0
CCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCc4ccccc43)ccc21,0,0,0,0
CCCNC(=O)CCCc1cccc2c1SCCO2,0,0,0,0
CCCCCc1nc2sc3c(c2c(=O)n1N)CCC3,0,0,0,0
O=S(=O)(c1ccccc1)n1cc(CCCCN2CCC3(CC2)OCc2ccccc23)c2ccccc21,0,0,0,0
CN(C)CCNC1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
CCn1c(-c2ccc(C)cc2)n[nH]c1=S,0,0,0,0
O=C(c1ccc(-c2ccc3oc(CCN4CCC(O)C4)cc3c2)nc1)N1CCOCC1,0,0,0,0
Cc1cc(C(C)(C)C)ccc1OCCOCCN1CCCC1,0,0,0,0
CN(C)S(=O)(=O)c1cccc(NC(=S)N/N=C/c2ccc(O)c(O)c2O)c1,0,1,0,0
CCn1c(NC2CCCC2)nc2c(-c3ccc(C(=O)OC)cc3)csc2c1=O,0,0,0,0
O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1,0,0,0,0
COc1ccc(F)cc1S(=O)(=O)n1cnc2ccccc21,0,0,0,0
CC(=O)OCn1nnc2ccccc2c1=O,0,0,0,0
Clc1ccc(-c2nnc3n2CCCCC3)cc1,0,0,0,0
Cc1cccnc1-c1cc(N2CCC(NC(=O)CC(C)(C)O)CC2)ncc1Cl,0,0,0,0
COC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CCC3)[nH]2)cc1,0,0,0,0
CNc1nc2ccc(-c3cncc(S(C)(=O)=O)c3)cn2n1,0,0,0,0
CC(C)Oc1cccc(-c2cc(C(=O)NN3CCOCC3)c3ccccc3n2)c1,1,1,0,0
COc1ccc(CNc2cc3ccccc3c(=O)[nH]2)cc1,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(CC)CC3)c(OC(F)(F)F)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)s1,0,0,0,1
OCCNc1nc(Nc2ccc(Cl)c(Cl)c2)nc2ccccc12,0,1,0,0
CCCN(CCC)c1nc2c(c(-c3c(C)cc(C)cc3C)cn2C)c(=O)n1C,0,0,0,0
CC1CCN(C(=O)COC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1,0,1,0,0
CC(C)(C)c1ccc(S(=O)(=O)N=C2C=C(NS(=O)(=O)c3ccccc3)C(=O)c3ccccc32)cc1,0,0,0,0
Cc1[nH]n(-c2ccccc2)c(=O)c1/C=N/NC(=O)c1cccc(F)c1,0,1,0,0
C=CCOc1cc(C(=O)O[C@H]2C(=O)c3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OCC=C)c1OCC=C,0,0,0,0
O=c1[nH]c(N2CCC(c3cncnc3)CC2)nc(N[C@H]2C[C@@H](CO)[C@H](O)[C@@H]2O)c1-c1nc2ccccc2s1,0,0,0,0
CCOC(=O)c1[nH]c(C)c(CN(CCc2ccccc2)C(=O)CCC(=O)O)c1C,1,0,0,0
Cc1cc(OCCCS(C)(=O)=O)ccc1-c1cccc(CNc2ccc(CCC(=O)O)cc2)c1,0,0,0,0
COc1ccc(C2C(O)C(c3c[nH]c4ccccc34)=NN2C(=O)CCl)cc1,0,0,0,0
Cc1cc(-c2n[nH]c3cc(NC(=O)NCC(=O)N(C)C)ncc23)ccn1,0,0,0,0
O=C1CC(c2nc(-c3ccc(Cl)cc3)no2)CN1c1ccc2c(c1)OCCO2,0,0,0,0
COc1ccc(C)cc1-n1c(SCC(=O)NCC2CCCO2)nc2c([nH]c3ccccc32)c1=O,1,0,0,0
COc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CC(=O)Nc2ccccc21,0,0,0,0
CCOC(=O)c1c[nH]c(N2CCN(c3ccccc3)CC2)nc1=O,0,0,0,0
CCC#CC(=O)N1CCC([C@@H]2CCNc3c(C(N)=O)c(-c4ccc(Oc5ccccc5)cc4)nn32)CC1,0,0,0,0
CCCCOC(=O)NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(CCC)nc(CC)c2C(=O)OCc2ccccc2Oc2ccccc2)c(F)c1,0,0,0,0
CCOC(=O)c1c(C)oc2c1c(C(c1ccncc1)N1CCOCC1)c(O)c1ccccc12,1,0,0,0
COc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1OC,1,0,0,0
Clc1ccc2c(c1)N=C(N1CCNCC1)c1ccccc1O2,0,0,0,0
Cc1c(C(=O)NCCCN(C)C)sc2ncnc(Nc3cccnc3OCCO)c12,0,0,0,0
CC(=O)N1CCN(c2ccc(CN(C3CCC3)S(=O)(=O)c3ccc(Cl)cc3Cl)c(F)c2)CC1,0,0,0,0
O=C(NCCc1ccc(F)cc1)c1cccs1,0,1,0,0
CS(=O)(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCC(CN2CCCC2)CC1,0,0,0,0
COc1ccc2[nH]c3c(=S)nc[nH]c3c2c1,0,0,0,0
CCc1nc2ccccc2c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C,1,0,0,0
Cc1c2cc(-n3ccc(OCc4ccc(F)cc4)cc3=O)ccc2nn1C,0,0,0,0
O=C(O)CCC(=NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)O,0,0,0,0
O=S(=O)(c1ccccc1)c1ccc(Cn2c3cc(O)c(O)cc3c3ccc(O)c(O)c32)cc1,0,0,0,0
O=c1[nH]ccc2c(Nc3c(Cl)cc(OC(F)(F)F)cc3Cl)nc3ccncc3c12,0,0,0,0
CCOc1ccc(F)c(F)c1[C@@H]1C[C@H](F)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
COCCCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC23CC4CC(CC(C4)C2)C3)cc1F,0,0,0,0
CCSC1=N/C(=C/c2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
S=P(Nn1cnnc1)(c1ccc(Br)cc1)c1ccc(Br)cc1,0,0,0,0
Cc1ncoc1-c1nnc(SCCCN2CCC3(CCc4ccc(Br)cc43)C2)n1C,0,0,0,0
CCC1CN(S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c2cc(Cl)ccc2O1,0,0,0,0
Fc1ccc(CNc2nc(-c3cccnc3)nc3ccccc23)cc1,0,0,0,0
CN(C)C(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1N1CCCC1,0,0,0,0
COc1ccc2c(c1)c(C1=C(Cl)CN(C)C1)cn2S(=O)(=O)c1ccc(Br)cc1,0,0,0,0
O=C(Nc1ccc(F)cc1F)N1CCCN(CCOc2ccccc2)CC1,1,0,0,0
COc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3cc(F)c(F)cc3F)C2)nc(C)c1F,0,0,0,0
CCOc1ccccc1NC(=O)c1sc2nc(C)cc(C)c2c1N,1,0,0,0
N#CC(=Cc1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-],0,0,0,1
CC(C)c1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)c1,0,0,0,0
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1)c1cc(=O)[nH]c2ccccc12,1,0,0,0
CCCCCCCOc1ccc(C2CC(=O)N(C)C2=O)cc1,1,0,0,0
O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(F)cc1,0,0,0,0
COc1ccc(COCC(C)C(O)C(C)C2OC(=O)C2C)cc1,0,0,0,0
CN(C)Cc1nc2c(sc3ccccc32)c(=O)[nH]1,0,0,0,0
O=C(c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1CCOCC1,0,0,0,0
COc1ccc(N2C(=O)/C(=C/c3ccc(O)c(Cl)c3)OC2=S)cc1,0,0,0,0
CC(C)c1nc(NCCO)c(C#N)c2c1CCCC2,0,0,0,0
COc1ccc(CCNC(=O)c2cc(-c3ccncc3)nc3c(Cl)cccc23)cc1OC,1,0,0,0
CCc1nn2cc(-c3nc4cc(C)c(C)cc4o3)nc2s1,0,0,0,0
Cc1[nH]c2ccc(C(=O)Nc3ccc(F)cc3)cc2c1C,0,1,0,0
O=C1[C@@H]2[C@H]3[C@H](O)[C@H](O)CC(=NOC[C@@H](O)COCc4ccco4)[C@H]3CC[C@H]2C(=O)N1C[C@@H]1CCCO1,0,0,0,0
OCc1ccccc1C(c1ccccc1)N1CCC(O)(c2ccccc2)CC1,0,0,0,0
CC(=O)N1CCC(c2cc3c(-c4cncc(OCc5cccc(F)c5)n4)ccnc3[nH]2)CC1,0,0,0,0
Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5[N+](=O)[O-])o4)c3)nc2c1,0,1,0,0
CN(C)Cc1ccc(Nc2nn(-c3cccc(-n4ncc5cc(C(C)(C)C)ccc5c4=O)c3CO)cc2C(N)=O)nc1,0,0,0,0
CC[C@@H](Nc1ccc(C)c(CN2CC[C@@H](C(=O)O)C2)c1C)c1ccc(Cl)c(C)c1,0,0,0,0
Cc1nnc(SCC(=O)N2CCc3ccccc3C2)n1-c1ccccc1,1,0,0,0
Cc1ccc(-n2nc(C)cc2Nc2ncc(Cl)cc2Cl)cc1,0,0,0,0
CC(C)CN1CCC2(CC1)CCN(C(=O)c1cnccn1)CC2,0,0,0,0
COc1ccc(C=NNC(=O)C2c3ccccc3Oc3ccccc32)c(OC)c1,1,0,0,0
Cc1ccc(Cn2c(O)c3ccc(/C=C/C(=O)N=O)cc3c2O)cc1,0,0,0,1
COc1cc2[nH]c(=S)n(Cc3ccco3)c(=O)c2cc1OC,0,0,0,0
Cc1nc(NC(=O)C(Cl)Cl)sc1C(=O)N(C)C,0,0,0,0
O=C(Nc1nccs1)c1ccc([N+](=O)[O-])cc1,1,0,0,0
O=c1cc(O)[nH]c(SCc2ccccc2)n1,0,0,0,0
Oc1ccc2c(c1)[C@]1(CCCCc3ccccc3)CCN(CCc3ccccc3C(F)(F)F)C[C@@H]1O2,0,0,0,0
COc1ccc(Cl)cc1NC1=NCC(C)S1,1,0,0,0
COC(=O)c1ccc(C2c3[nH]c4ccccc4c3CC3C(=O)N(C)CC(=O)N32)cc1,1,0,0,0
CO[C@H]1CCN(c2nc(-c3c(C)ccc4n[nH]c(C)c34)nc3c2CN(c2cc(C(F)(F)F)ccc2C)CC3)CC1(C)C,0,0,0,0
CO[C@H]1C(=O)N2C(C(=O)C(C)(C)C)=C(C)[C@@H](OC(=O)C(C)(C)C)S(=O)(=O)C12,0,0,0,0
O=S(=O)(N/N=C/c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1,1,0,0,0
COc1ccc(-c2ccc(/C=C/[C@H]3[C@@H]4CCCC[C@H]4C[C@H]4C(=O)O[C@H](C)[C@@H]34)nc2)cc1,0,0,0,0
NP(=O)(OCCCc1ccccc1)c1ccccc1,0,0,0,0
CC(C)(O)[C@@H](F)CNC(=O)c1cnc(-n2ncc3cc(Cl)cnc32)cc1Nc1cnn(CC(F)(F)F)c1,0,0,0,0
CCN(CC)C(=O)N1CCN(C(=O)N2C(=O)[C@H](CCCN=C(N)N)[C@H]2C(=O)O)CC1,0,0,0,0
O=C(c1ccc(O)cc1O)N(Cc1ccccc1)c1ccc(-c2ncccc2CO)cc1,0,0,0,0
CN(C)CCc1ccc(O)c(O)c1C1=C(C2C(=O)N(C)C(=O)N2C)C(=O)c2c(CCN)c[nH]c2C1=O,0,0,0,0
CC(C)Nc1ccc(C(Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,0,0,0,0
Cc1cccn2c(=O)c3cc(C(=O)N4CCCCC4C)sc3nc12,0,0,0,0
CCc1nc(N2C[C@H]3C(=O)N(C)C(N)=N[C@@]3(c3ccc(F)cc3F)C2)nc(OC)c1F,0,0,0,0
CC(C)N1CCN(Cc2ccccc2C(F)(F)F)CC1CCO,0,0,0,0
O=C1N(c2ccccc2)C[C@@H]2C[C@@H](c3cc4ccccc4o3)N3CCC[C@@]123,0,0,0,0
Cc1cccc(Cl)c1OCCCCn1ccnc1,0,0,0,0
O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(Cl)s1,0,0,0,0
CCN(CC)c1ccc(C(=O)Nn2c(C)nc3ccccc3c2=O)cc1,0,0,0,0
CCOC(=O)C1CCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1,0,0,0,0
CCC(CC)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1,0,0,0,0
CN(C)c1ccc(/C=N/OC(=O)Nc2ccccc2Cl)cc1,0,1,0,0
CCC(CC)c1nn2cc(-c3ccccc3)nc2s1,0,1,0,0
O=C(O)COc1ccc(F)c(NCc2c(F)ccc(-c3cccc(F)c3)c2F)c1F,0,0,0,0
CCCCO[C@]1(c2cccc(OC)c2)CCCC[C@@H]1CN(C)C,0,0,0,0
OC[C@H]1O[C@@H](n2c(Nc3ccccc3)nc3c(Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O,0,0,0,0
Cc1ccccc1Nc1c(-c2ccc(Cl)s2)nc2c(C)cccn12,0,0,0,0
Cc1nc(N2CCN(C)CC2)c2nc(-c3ccccc3C)n(C3CCOCC3)c2n1,0,0,0,0
CC1=NOC(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2)o1,0,1,0,0
CCCc1cc(=O)n2nc(NCc3ccccc3OC)nc2[nH]1,0,0,0,0
COc1ccc2nc3c(cc2c1)Cn1c-3nc2ccccc2c1=O,0,0,0,0
COc1cc(C(O)P(=O)(OCC(C)C)c2ccc(N(C)C)cc2)cc(OC)c1OC,0,0,0,0
COc1cccc(-c2nc3c(N4CCN(C)CC4)nc(C)nc3n2C2CCOCC2)c1,0,0,0,0
COc1ccc(-c2cc3nc(C)c(CCC(=O)NCc4ccccc4Cl)c(C)n3n2)c(OC)c1,1,0,0,0
Cc1ccc(-c2nnc(-c3cccc(NC(=O)c4cccs4)c3)o2)cc1,0,1,0,0
Cc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NC3CCCCC3)c(=O)c2c1,0,0,0,1
CNC1CCN(c2cc(C)c3nc(-c4c(NC[C@@H](O)c5cccc(Cl)c5)cc[nH]c4=O)[nH]c3c2)CC1,0,0,0,0
O=C(CSS(=O)(=O)O)N1CCN(C(=O)c2ccoc2)CC1,0,0,0,0
CCN(CC)C1CCN(c2ccc(Nc3ncc4c5ccnc(C)c5n(C5CCCC5)c4n3)nc2)CC1,0,0,0,0
Cc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN3CCOCC3)C2c2cccs2)cc1,0,0,0,0
CCOc1ccc(-c2nn(-c3ccccc3)cc2C=C2SC(N)=NC2=O)cc1C,0,0,0,0
CC1NCCc2oc3c(Cl)cc(S(=O)(=O)c4ccccc4)cc3c21,0,0,0,0
COC(=O)c1cc(S(=O)(=O)NCc2ccccc2OC)cn1C,0,0,0,0
COc1cccc2c1nc(C(F)F)n2-c1nc(N2CCOCC2)cc(N2CCOCC2)n1,0,0,0,0
Cc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)c(O[C@H]3OC(CO)C(O)C(O)C3O)c(O)c(O)c1C2=O,0,0,0,0
Cc1ccc(C(c2ccc(C)cc2)N2CCC(O)(c3ccccc3CN)CC2)cc1,0,0,0,0
CCN(CC)CCN(C)C(=O)c1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2=O,0,0,0,0
COc1cc2nc(C)c(C)c(N3CC(C)(C)c4ccc(N5CCOCC5)cc43)c2cc1C,0,0,0,0
CC(C)C1(C)SC(=N[C@@H](C)c2ccccc2Cl)NC1=O,0,0,0,0
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1,1,0,0,0
C=C(F)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1F,0,0,0,0
Cc1noc(C)c1-c1cncnc1NC1CC1,0,0,0,0
Clc1ccc(N2CCCN(Cc3c[nH]c4ncccc34)CC2)cc1,0,0,0,0
CC(=O)c1sc(NC(=O)c2ccc(F)c(F)c2)nc1C,0,0,0,1
CC1CCN(C(=O)c2ccc3c(c2)c2c(n3S(=O)(=O)c3ccccc3)CCN(C3CCOCC3)C2)CC1,0,0,0,0
Cc1ccc(-c2nc3ccccc3nc2-c2ccccc2)cc1,0,0,0,0
CC(C)C(C)(C#N)NC(=O)CSc1nc2scc(-c3ccc(F)cc3)c2c(=O)n1Cc1ccccc1,1,0,0,0
COc1ccc(-c2cc3c(N)ncnc3nc2-c2ccc(N(C)C)cc2)cc1,0,0,0,0
CC(C)Nc1cc(Nc2ccc3ncsc3c2)ncc1-c1nc(C(N)=O)co1,0,0,0,0
Cc1ccc(C2CC(=O)Nc3cc4c(cc32)OCO4)o1,0,0,0,0
O=C1Nc2ccc(F)cc2C1CCCCN1CCN(c2cccc(Cl)c2)CC1,0,0,0,0
CN1CCN(C(=O)C[C@H](N)Cc2cc(F)c(F)cc2F)CC1=O,0,0,0,0
CCOC(=O)c1c(-c2cccc([N+](=O)[O-])c2)cn2ccccc12,0,0,0,0
Cc1c(C(=O)NCCN(C)C)oc2c1-c1nn(Cc3cccc(Cl)c3)cc1CC2,0,0,0,0
O=C(O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1,0,0,0,0
Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccc(F)cc3)cn12,1,0,0,0
S=c1nc(-c2ccc(Cl)cc2Cl)[nH]n1CCc1ccccc1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,0,0,0,0
CC(=O)Nc1cccc2c1Cc1ccccc1-2,0,0,0,0
CCC1(c2ccccc2)c2c(F)cccc2NC(=O)N1CC(F)(F)F,0,0,0,0
Cc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NCCN1CCN(C(=O)c2cccc(F)c2)CC1,1,0,0,0
CCONC(=O)c1ccc2c(c1)OCn1c-2nc(-c2ccc(C3(N)CC(C)(O)C3)cc2)c1-c1ccccc1,0,0,0,0
Cc1cscn1,0,0,0,0
CCCC(=O)Oc1ccc(C[C@@H](C)[C@@H](C)Cc2ccc(OC(=O)CCC)c(OC(=O)CCC)c2)cc1OC(=O)CCC,0,0,0,0
COc1cccc(-c2csc(CN3CCN(c4ccccc4OC)CC3)n2)c1,0,0,0,0
CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C(=O)OCc2ccccc2)C1C#Cc1ccccc1,0,0,0,0
O=C(OC(CCCc1cccnc1)CCCc1cccnc1)[C@@H]1CCCCN1S(=O)(=O)c1cc(Cl)c(O)c(Cl)c1,0,0,0,0
CNS(=O)(=O)c1ccc(-n2nc(C(N)=O)c3c2-c2cn[nH]c2CC3)cc1,0,0,0,0
CC(C)(/C=C(\C#N)C(=O)N1CCC[C@@H](n2nc(-c3ccc(Oc4ccccc4)cc3F)c3c(N)ncnc32)C1)N1CCN(C2COC2)CC1,0,0,1,0
Cc1cc(C#N)cnc1C(O)CN1CCN(C[C@H](O)c2ccc3c(c2C)COC3=O)CC1,0,0,0,0
CC(=O)OCC(=O)[C@@]12N=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,0,0,0,0
CCCN1CCc2nc(N3CCN(c4ncccn4)CC3)ncc2C1,0,0,0,0
COC(=O)C1C(=O)C2=C(CC1C)NC(C)=C(C(=O)OC1CCCCC1)C2c1ccc(N(C)C)cc1,1,0,0,0
CCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)s1,0,0,0,0
COc1ccc(CCN=CC2=C(O)CC(C)(C)CC2=O)cc1,0,0,0,0
Cc1cc(=O)[nH]c(SCc2nc3ncccn3c2Br)n1,0,0,0,0
COc1ccc(C(=O)ON=C(c2cccs2)C(C)(C)C)cc1,0,0,0,0
COc1ccccc1C(CNc1ncccc1[N+](=O)[O-])N(C)C,0,0,0,0
COc1ccc(-c2ncccn2)c(C(=O)N2CC[C@H]3CN(c4nc(C)cc(C)n4)[C@H]3C2)c1F,0,0,0,0
COc1ccc(CCNC(=O)CCC(=O)N2CCOc3ccc(Cl)cc32)cc1OC,1,0,0,0
CCCOC(=O)/C(C#N)=C/[C@H](C[C@@H]1CCCNC1=O)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)c1cc(C)on1,0,0,1,0
Cc1[nH][nH]c(=O)c1C=NCc1cccc(C(F)(F)F)c1,0,0,0,0
O=S(=O)(NCCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2ccccc2s1,0,0,0,1
c1cc(CSc2ncnc3nc[nH]c23)ccn1,0,0,0,0
CC(=NN(C)C(N)=O)c1ccc2nnc(C3(c4ccc5ncccc5c4)CC3)n2n1,0,0,0,0
N#Cc1ccc2nc3c(nc2c1)CCCC3,0,0,0,0
O=C(c1ccc(F)cc1)N1CCC(n2nnc3ccccc32)CC1,0,1,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cccc(S(C)(=O)=O)c2)c1,0,0,0,0
CS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cccn3-c3ccccc3Cl)C(=N)N21,0,1,0,0
OC(c1ccc(F)cc1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0,0,0,0
CCOC(=O)CSc1nc(=O)n2ccccc2n1,0,0,0,0
CC(F)(F)c1nn2cc(-c3cc4c(OCc5ccccc5)cccc4o3)nc2s1,0,0,0,0
CC1=C(C(=O)Nc2ccc(F)cc2)C(c2ccc(C)o2)C2=C(CC(C)(C)CC2=O)N1,0,0,0,0
O=C(c1cccc(O)c1)c1ccc(-c2cccc(NS(=O)(=O)c3cc(Cl)c(O)c(Cl)c3)c2)s1,0,0,0,0
Cc1cc2oc(C(=O)Nc3nc(-c4ccccc4)ns3)c(C)c2cc1Cl,1,0,0,0
CC(C)COc1ccc(/C(O)=C2/C(=O)C(=O)N(CCN(C)C)C2c2ccncc2)cc1,0,0,0,0
CCOC(=O)C1=C(COc2ccccc2)NC(=O)NC1c1ccc(Cl)cc1,0,0,0,0
Nc1cc(Nc2nc(Nc3ccc(N4CCOCC4)cc3)ncc2Br)n[nH]1,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(OCc3ccc(OC(F)(F)F)cc3)cc2)CCC2(CCNCC2)C1,0,0,0,0
Cc1ccc(-c2ccc(F)cc2COc2ccc(CCC(=O)O)cc2)cc1,0,0,0,0
CCN(CC)CCNc1ccc(C)c2sc3ccc(O)cc3c(=O)c12,0,0,0,1
CCC1(C)Cc2c(sc3nc4n(c(=O)c23)CCCS4)CO1,0,0,0,0
CCOC(=O)COCc1ccc(-c2ccc(CCN3CCC[C@H]3C)cc2)cc1,0,0,0,0
COC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2)sc2c1C(C(=O)OC)CC2,1,0,0,0
Cn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)cn1,0,0,0,0
Nc1nc2c(ncn2[C@H]2CCN(C(=O)P(=O)(O)O)C2)c(=O)[nH]1,0,0,0,0
COc1cccc(N2CCN(Cc3nc4c5cccc(OC)c5nc(N)n4n3)[C@H](C)C2)c1,0,0,0,0
CN1CCN(C(=O)c2ccc(OCc3cccc(Cl)c3)c(Cl)c2)CC1=O,0,0,0,0
COc1ccc(C(C)Cn2cc[nH]c2=O)cc1OC1CCOC1,0,0,0,0
COc1cccc(/C=C2/SC(=S)N(CC(=O)NNC(=O)c3ccccc3OC)C2=O)c1,0,1,0,0
NC(=O)C1CCN(CCOc2ccc(Oc3nc4ncccc4s3)cc2)CC1,0,0,0,0
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)N1CCOCC1,0,0,0,0
O=[N+]([O-])c1ccc(CN2CCN(c3nc4ccccc4s3)CC2)cc1,0,0,0,0
COCCn1c(=O)c(-c2ccc(OC)cc2)nc2cnc(Nc3cccc(OC)c3)nc21,0,0,0,0
Cc1ccc(N2CCN(S(=O)(=O)N3CCCCC3)CC2)c(C)c1,0,0,0,0
CCOc1ccccc1CNS(=O)(=O)c1cc(-c2cc(C)no2)ccc1C,0,0,0,0
O=S(=O)(c1cccc2nonc12)N1CCN(c2ccc(F)cc2)CC1,1,1,0,0
CCOC(=O)c1sc2nc(C)n(N)c(=O)c2c1C,0,0,0,0
Cc1cn(C2C=CC(COP3(=O)OCc4cccc(-c5ccccc5)c4O3)O2)c(=O)[nH]c1=O,0,0,1,0
O=C1C2C(C(=O)N1N=Cc1ccc([N+](=O)[O-])o1)C1C=CC2C12CC2,0,0,0,0
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1OC,0,0,0,0
CCN(CC)S(=O)(=O)c1ccc(N2CCN(c3ccccc3OC)CC2)c(N)c1,0,0,0,0
Cc1cc(CCC(=O)O)ccc1-c1ncc(-c2ccc(OC(C)C)c(C#N)c2)s1,0,0,0,0
Cc1c(O)ccc2c(CN3CCOCC3)cc(=O)oc12,0,0,0,0
COc1ccc(N=C2CCS(=O)(=O)c3sccc32)cc1,0,0,0,0
CN(C)C(=O)c1ccc(-c2ccc3ncnc(N(C)Cc4ccco4)c3c2)cc1,1,0,0,0
CCNc1ncc2nc(-c3ccc(OC)cc3)c(=O)n(CCOC)c2n1,0,0,0,0
COc1cc2[nH]c(CN3CCN(S(=O)(=O)c4c(F)cccc4F)CC3)nc(=O)c2cc1OC,0,0,0,0
Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCCCC3)c(Cl)cc12,0,0,0,0
CC(C)c1cc(Nc2nccn3c(-c4cnn(C)c4)cnc23)sn1,0,0,0,0
CCN1C(=O)c2cccc3c(S(=O)(=O)NCC4CCN(C(C)=O)CC4)ccc1c23,0,0,0,0
Cc1cc(Nc2cc(F)ccc2C)n2ncnc2n1,1,0,0,0
COc1ccc(/C=N/NC(=O)c2ccc(COc3ccccc3Cl)o2)c(OC)c1C,1,0,0,0
Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccccc3)c(=O)c3cc4c(cc32)OCO4)cc1,1,0,0,0
Cn1c(=O)c2c(n3c4ccccc4nc13)NC(=O)CC2c1ccccc1F,0,0,0,0
Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4ccccc4F)CC3)s2)on1,0,0,0,0
CC1(C)S[C@@H]2[C@H](NC(=O)C(C(=O)Oc3ccc4c(c3)CCC4)c3ccccc3)C(=O)N2[C@H]1C(=O)O,0,0,0,0
COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1,1,0,0,0
COc1ccc(F)cc1-c1ccnc2[nH]c(C3CN(S(C)(=O)=O)C3)cc12,0,0,0,0
COc1ccc(CCNC(=O)CSCc2nc(-c3cccc(C)c3)oc2C)cc1OC,1,0,0,0
COc1cccc(Nc2ccc(C(=O)N3CCC(N4CCCCC4)CC3)cc2Cl)c1,0,0,0,0
O=C1c2c(Br)c(Br)c(Br)c(Br)c2C(=O)N1c1ccccn1,0,0,0,0
COc1ccccc1N1CCN(Cc2cc(=O)n3ccsc3n2)CC1,0,0,0,0
O=C1c2cc(N3CCCC3)ccc2NC(Cc2ccccc2)N1c1ccc(O)cc1,0,0,0,0
COc1cc(C(=O)NCCN(C)C)ccc1Nc1ncc2c(n1)-c1c(nn(C)c1-c1ccc(-c3cnn(C)c3)cc1)CC2,0,0,0,0
Cc1cccnc1NC(=S)NC(=O)c1cccs1,0,1,0,0
COc1ccc(CN2C(=O)c3cccnc3C2=O)cc1S(=O)(=O)N1CCOc2ccc(C)cc21,1,0,0,0
COc1ccc(/C=C2/CCOC2=O)cc1,0,0,0,0
COc1ccc(-c2nn3c(-c4ccc(C)cc4)nnc3c3ccccc23)cc1,0,0,0,0
NCCNC(=O)c1ccc2[nH]c(=O)c3c(c2c1)CCSC3,0,0,0,0
COc1ccc(-c2c[nH]c3c2C2=NCCc4c[nH]c(c42)C3=O)cc1,0,0,0,0
Cc1ccc(CC2CC(=O)N(CCc3ccccc3)C2=O)cc1,0,0,0,0
CN1C(=O)C2=C(Nc3ccccc3)NN(Cc3cccc(F)n3)C2N2C1=N[C@@H]1CCC[C@@H]12,0,0,0,0
Cc1ccc(OCCNCCCOc2ccccc2)cc1Cl,0,0,0,0
COC1(C(F)(F)F)C[C@H]2CC[C@@H](C1)N2S(=O)(=O)c1ccc(C(C)(C)C)cc1,0,0,0,0
CC(=O)N1CCc2ccccc2C1CC(c1ccccc1)c1ccccc1,0,0,0,0
CCc1ccc(Cc2cc([C@@H]3OC4(CC4)[C@@H](O)[C@H](O)[C@H]3O)ccc2C)cc1,0,0,0,0
O[C@@H](COc1cccc2ncccc12)CN1CCN(C2c3ccccc3[C@@H]3[C@H](c4ccccc42)C3(F)F)CC1,0,0,0,0
CC(C)Oc1cc2c(-c3cc(N4CCN(C(C)C)C(=O)C4)ncn3)n[nH]c2cc1F,0,0,0,0
CNc1nc(Nc2ccc(C)c(N)c2)ncc1C(=O)Nc1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1C,0,0,0,1
CC(C)c1ccc(/C=N/Nc2cc(N3CCOCC3)nc(N3CCOCC3)n2)cc1,1,0,0,0
CCCCC(=O)Nc1ncc(Br)s1,0,0,0,0
COc1ccccc1NC(C#N)c1ccc(Br)cc1,0,0,0,0
Cc1cccc(NC2=C(OC(C)C)OC(=O)C2Cl)c1,0,0,0,0
CC(CC1=Nc2c(nc(N)[nH]c2=O)NC1)Cc1ccc(C(=O)NC(CCC(=O)O)C(=O)O)cc1,0,0,0,0
O=C(CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)NC1CCS(=O)(=O)C1,1,0,0,0
O=C(OCC1OC2C(Oc3nc(=O)ccn32)C1O)c1ccccc1,0,0,0,0
CC(C)CC(CC(=O)NC(CCC(=O)O)CC(=O)O)NC(=O)C1CNCCC1NC(=O)CC(CCCN)NC(=O)CC(Cc1ccccc1)NC(=O)C1CNCCC1N,1,0,0,0
CCOc1cc(=O)n(C)cc1-c1cc(NCc2ccc(-c3ccccc3Cl)o2)ccc1Oc1ccc(F)cc1F,0,0,0,0
CSCCC(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)CSSC[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O,0,0,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(C(F)(F)F)cc3O)cccc2c1,0,0,0,0
COc1ccccc1NC(=O)Cn1c(C)cc(=O)c2cccc(OC)c21,1,0,0,0
C=CC(=O)N1CC(n2cc(-c3cc4cc(C)cc(OC)c4o3)c3c(N)ncnc32)C1,0,0,1,0
Cn1cc(-c2cc(C(N)=O)nc3cc(Cc4cnc(Cl)nc4)ccc23)cn1,0,0,0,0
Cc1nc([C@H]2C[C@@H]2c2nc3ccccc3s2)cc(-n2nc(C)nc2C)n1,0,0,0,0
COc1ccc(S(=O)(=O)c2ccc(CN(C)c3ccc4c5c(cccc35)C(=O)N4)cc2)cc1,0,0,0,0
COc1ccccc1-c1c(C)nn2c(N3CCN(c4ccccc4OC)CC3)cc(C)nc12,1,0,0,0
O=C(Nc1ccccc1)N1CCC(C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)CC1,1,0,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1CO,0,0,0,0
COc1ccc(Cl)cc1Nc1cc(C)nc2nc(C)nn12,0,0,0,0
CCc1ncnc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(OC)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
Nc1nc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)nc(Nc2ccccc2)n1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(CC(C)C)[nH]2)c(F)c1,0,0,0,0
COc1ccc([C@@H](CCCN(C)S(=O)(=O)c2cccs2)N2Cc3c(cccc3N3CCN(C4CC4)CC3)C2=O)cc1OC,0,0,0,0
O=C(COc1ccccc1)NCCSCc1ccccc1Cl,0,1,0,0
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(N=Nc5ccccc5)cc4)ccc1c23,0,0,0,0
CCC(C)(C)c1ccc2oc(-c3cn4nc(SC)sc4n3)nc2c1,0,0,0,0
CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1,0,0,0,0
CCOC(=O)C(=O)/C(=C\N(C)C)c1onc(-c2ccccc2)c1C(=O)OC,0,0,0,0
CCC1(c2cccs2)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3)cc21,0,0,0,0
CCNc1cc(CC(C)C)ccc1-c1ccccc1S(=O)(=O)Nc1onc(C)c1C,0,0,0,0
CCCOc1ccc(-c2csc3[nH]cnc(=O)c23)cc1,0,0,0,0
CO[C@H]1C(=O)N2C(C(=O)OC(C)(C)C)=C(CCl)CS(=O)(=O)C12,0,0,0,0
O=c1[nH]c(CN2CCN(c3ccccc3Cl)CC2)nc2ccsc12,0,0,0,0
c1ccc(Cn2cc(-c3ccnc4ccccc34)c(-c3ccccn3)n2)cc1,0,0,0,0
C=CC(=O)Nc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCC1=NCCO1,0,0,0,0
CC(C)Oc1ccccc1N1CCN(Cc2nc(CN3C(=O)CC4(CCCC4)CC3=O)co2)CC1,0,0,0,0
CCOC(=O)C1(COc2ccc3c(c2)CN(C(=N)N)CC3)CCN(c2ccncc2)CC1,0,0,0,0
CC(=O)NC(C)C#Cc1cnc(Oc2ccc(NCC3CC3)c(Cl)c2)s1,0,0,0,0
Cc1cccc2c(O)c(C=NC(C)(C)C)c(=O)n(CC3CC3)c12,0,0,0,0
CCc1noc(NC(=O)N2CCC3(CC2)CC(c2cccc(OC(F)(F)F)c2)C3)c1C,0,0,1,0
Cn1c2cc(Cl)ncc2c2ncnc(N3CCN(CCc4ccc(F)c(F)c4)CC3)c21,0,0,0,0
COc1cccc2cc(S(=O)(=O)c3ccccc3)c(=Nc3ccc4c(c3)OCCO4)oc12,1,0,0,0
CCc1cc(CN(CC2CCC(C(=O)O)CC2)[C@H]2CCc3cc(Cl)ccc32)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
C/C(=C/c1ccc(Cc2cccnc2)cc1)C(=O)O,0,0,0,0
O=C(c1ccncc1)c1cc(Cl)ccc1NS(=O)(=O)c1ccc(N2CCCC2)cc1,0,0,0,0
CCCc1ccc(S(=O)(=O)N2CCc3cc(O)ccc3C2c2ccc(OCCN3CCCC3)cc2)cc1,0,0,0,0
COc1ccc2nc(NC(=O)Cc3ccc(OC)c(S(=O)(=O)N4CCOCC4)c3)sc2c1,1,1,0,0
COc1cccc2c1nc(N)n1nc(CN3CCN(c4ccc(F)cc4)C[C@H]3C)nc21,0,0,0,0
CN1CCN(c2cnc3cc(Cl)ccc3n2)CC1,0,0,0,0
c1ccc(CC2CCN(c3nc4ccccc4n4cnnc34)CC2)cc1,0,0,0,0
CCN1C(=O)N(S(=O)(=O)C(F)(F)F)C(c2ccccc2)C(C(=O)OC)=C1C,0,0,0,0
O=S(=O)(N1CCCCC1)N1CCNCC1,0,0,0,0
CC1(C(=O)O)C=CC(Cc2ccccc2)N1C(=O)c1ccccc1,0,0,0,0
CNC(=O)Nc1ncc(SCCCOC)cc1Oc1cccnc1C,0,0,0,0
COc1ccc(CNn2c(C)nc3ccccc3c2=O)cc1,0,0,0,0
C1=CCOCc2cc(ccc2OCCN2CCCCC2)Nc2nccc(n2)-c2cccc(c2)COC1,0,0,0,1
Cc1sc(N)nc1-c1ccc(P(=O)(O)O)o1,0,0,0,0
CCN1CCN(CCCOc2cc3ncc(C#N)c(Nc4ccc(Sc5nccn5C)c(Cl)c4)c3cc2OC)CC1,0,0,0,0
COC(=O)CSc1nc(C)cc(N2CCOCC2)n1,0,0,0,0
c1ccc(-c2cnc(Cn3ccnc3)cn2)cc1,0,0,0,0
Cc1c(CC(C)(C)C(=O)O)n(Cc2ccc(Cl)cc2)c2ccc(-c3ccc(-c4ccccc4Cl)c(F)c3)cc12,0,0,0,0
CN(C)c1ncc2nc(-c3cccc(C#N)c3)c(=O)n(C)c2n1,0,0,0,0
COc1cccc(N(CCNC(C)=O)Cc2ccccc2)c1,0,0,0,0
O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccs1,1,0,0,0
CCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cnc(CNC3(C(=O)O)CCC3)s2)c1,0,0,0,0
CCOc1cc2c(Cc3ccc4oc5ccccc5c4c3)cncc2cc1OC,0,0,0,0
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1cccs1,0,0,0,0
O=C(OCc1cn([C@@H]2C[C@H](c3ccc(Cl)cc3)N(CC3CCCCC3)C[C@H]2O)nn1)c1ccccc1,0,0,0,0
CNc1nc(Oc2ccc(=O)n(C)n2)nc(N2CCOCC2)n1,0,0,0,0
Cc1ccc2[nH]c(C)c(CCNC(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)c2c1,1,0,0,0
COC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(C)cc1,0,0,0,0
CC(C)Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O,0,0,0,0
CC(N)C(=O)Nc1ccc(Nc2nccc(-c3cnc(N4CC[C@H](F)C4)c(C#N)c3)n2)cn1,0,0,0,0
O=C(N/N=C\c1cccc([N+](=O)[O-])c1O)C1COc2ccccc2O1,0,1,0,0
CCOC(=O)N1CCC(NC(=O)CS(=O)(=O)Cc2nc(-c3cccc(Cl)c3)oc2C)CC1,1,0,0,0
CC(C)n1nc(-c2ccc(OCCCN3CCCCC3)cc2)c2sccc2c1=O,0,0,0,0
CC1Cn2c(nnc2-c2ccc(F)cc2)CN1C(=O)c1cccc(Cl)c1Cl,0,0,0,0
NC(=O)c1c(-c2cccc(F)c2)c(Cl)n2c1CN(C(=O)NCCCC(F)(F)F)CC2,0,0,0,0
CCC1(CCCCN2CCN(c3ccc(Cl)cc3)CC2)C(=O)Nc2c1cc(Cl)c(F)c2Cl,0,0,0,0
N=C(N)NC(=O)c1ccc2c(c1)-c1ccccc1C2O,0,0,0,0
CC(=O)Nc1cccn2c(C(F)(F)F)nnc12,0,0,0,0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/CO)C(C)(C)CCC1,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)c(OC)c1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(COC2CCC(c3ccc(S(C)(=O)=O)cc3F)CC2)CC1,0,0,0,0
Cc1cc(-c2ccccc2)ccc1O[C@@H](Cc1ccccc1)C(=O)O,0,0,0,0
CCOC(=O)C(=O)C1C(=O)Nc2ccccc21,0,0,0,0
Cc1ncc(C)n2nc(CCc3cn4c(n3)-c3cc(F)ccc3C4)nc12,0,0,0,0
N#C[C@@H]1CCCN1C(=O)c1ccccc1,0,0,1,0
c1ncc(CCCC2CCCNC2)[nH]1,0,0,0,0
CCOC(=O)c1ccc(Oc2coc3cc(O)ccc3c2=O)cc1,0,0,0,0
Cc1nc(C(F)(F)F)nc(-c2ccc(N(Cc3ccccc3)C(=O)c3ccc(O)cc3O)cc2)c1C,0,0,0,0
N#Cc1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N,0,0,0,0
CCOC1OC(C(=O)NCc2ccccc2)=CC(c2ccccc2)C1CCCO,1,0,0,0
Nc1ncnc(N2CCOCC2)c1N,0,0,0,0
COCCn1c(C)cc(O)c(C(c2ccc(C)cc2)N2CCCCC2)c1=O,1,0,0,0
C#CCNC1CCc2c(OCCCCN3CCN(c4cccc5c4ccn5Cc4cccc(Cl)c4)CC3)cccc21,0,0,1,0
CCONC(=O)Nc1ccc(-c2sc3c(c2CN(C)Cc2ccccc2)c(=O)n(-c2ccccc2)c(=O)n3Cc2c(F)cccc2F)cc1,0,0,0,0
Cc1ccc(NC(=O)CN2C(=O)C(=Cc3cccs3)SC2=S)cc1,1,0,0,0
O=c1nc(C(F)(F)F)cc(C=Cc2cc([N+](=O)[O-])ccc2Cl)[nH]1,0,0,0,0
COCCNC(=O)C1N2C(=O)c3ccccc3C2SC1(C)C,0,0,0,0
CC(C)OP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccccc1,0,0,0,0
COc1ccc(CNc2c(F)c(F)c(F)c(F)c2S(N)(=O)=O)cc1,0,0,0,1
CC1(C(=O)O)CCCC2(C)C3CCC4CC3(CCC12)CC4=O,0,0,0,0
CSc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1,0,0,0,0
CNc1nc(-c2nc3cnc(N4CCOCC4)cc3n2[C@@H](C)COC)cn2c(C)nnc12,0,0,0,0
COc1ccc2c(c1)C(c1ccc([N+](=O)[O-])cc1)=NNC(c1ccco1)=N2,0,1,0,0
Fc1c(-c2nnnn2Cc2cccnc2)cccc1C(F)(F)F,0,0,0,0
CC1=C(C(=O)NCc2ccc(Cl)cc2)C2(CCC(C)CC2)OC1=O,0,0,0,0
CCN1CCN(c2nnc(-c3ccc(OC)cc3)s2)CC1,0,0,0,0
CCc1cccc2nc(-c3cccnc3N3CCC(C(=O)O)CC3)oc(=O)c12,0,0,0,0
O=C(CCSc1ccccc1)N1CCOCC1,0,1,0,0
CCOc1ccc(Nc2sc(C(=O)c3ccc4c(c3)OCO4)c(N)c2S(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
COC(=O)N[C@@H](C)c1ccc(OC2CN(c3ncc(C4CC4)cn3)C2)cc1,0,0,0,0
COc1ccc(C)c(OC(CCN2CCC(n3c(=O)n(Cc4nc(C)no4)c4ccccc43)CC2)C(C)C)c1,0,0,0,0
C=CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2)CC1,0,0,1,0
CCCc1ccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)cc1,0,0,0,0
Cc1noc(C)c1-c1cc(COc2ccc(CCC(=O)O)c(F)c2)ccn1,0,0,0,0
COc1ccc(F)cc1Oc1ccc(C(=O)N(Cc2ccc(C(=O)O)cc2)CC2CC2)cc1,0,0,0,0
C=CCC1(CC=C)C(=O)NC(=O)NC1=O,0,0,0,0
COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CC(C(C)(C)C)CC1,0,0,0,0
CCOc1cc2c(-c3ccc(C)c(S(N)(=O)=O)c3)n[nH]c2cc1-c1cnn(C)c1,0,0,0,0
C=COc1ccccc1OC(C)C1=NCCN1,0,0,0,0
CN(C)CCN(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
Cc1cc(C)c2c(CN3CCOCC3)cc(=O)oc2c1,0,0,0,0
COc1cccc(C(=O)N(CN2CCCC2=O)c2cccc(Cl)c2)c1OC,0,0,0,0
Cc1cc(C)nc(N2C[C@@H]3CCN(C(=O)c4cccc(F)c4-c4ncccn4)C[C@@H]32)n1,0,0,0,0
CC(C)N1CCCN(c2nccnc2C2CN(c3ccc4ccccc4n3)C2)CC1,0,0,0,0
Cc1cccc(Nc2nc(N)nc(CN3CCN(C)CC3)n2)c1,0,0,0,0
Cc1c(N/C(=N/S(=O)(=O)c2ccc(F)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C,0,0,0,0
CC1=CC(=O)N=S(=O)(O)O1,0,0,0,0
CN=c1scc(-c2ccco2)n1/N=C/c1ccc(O)c(O)c1,0,1,0,0
COc1ccc(C2N(C(=O)c3ccccc3)CCN2C(=O)c2ccccc2)cc1,0,0,0,0
CCCCN(C)C(=O)c1c[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc2c1=O,0,0,0,0
CSc1cccc(N2CCN(Cc3nc[nH]c3C)C2=O)c1,0,0,0,0
CC(NCc1ccncc1)=C1C(=O)c2ccccc2C1=O,0,0,0,0
CCCc1nc(CC)c(C(=O)OCc2ccccc2S(=O)(=O)c2ccccc2)n1Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)OCCC(C)C)cc1F,0,0,0,0
CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1,0,1,0,0
CCOC(=O)c1cc(S(=O)(=O)N2CCN(c3ccccc3F)CC2)n[nH]1,0,0,0,0
CNC(=O)CCc1ccc(-c2cc3ccccc3n2C(=O)OC(C)(C)C)cc1,0,0,0,0
CC(=O)Nc1ccccc1-c1nnc(SCc2ccccc2Cl)[nH]c1=O,0,0,0,0
COc1cc([N+](=O)[O-])ccc1NC(=O)N1CCC2(CC1)Nc1ccccc1-n1cccc12,1,0,0,0
CC(C)(C)c1ccc(C(=O)N2CCN(CCNC(=O)C(=O)NCc3ccccc3)CC2)cc1,1,0,0,0
Cn1c(=O)c(-c2ccc(Cl)cc2)nc2cnc(Nc3ccccc3)nc21,0,0,0,0
CC1=NOC(=O)C1=Cc1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1,0,0,0,0
CCOC(=O)c1cccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)c1,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CC(C)(C)NC4(C)C)cc2)CC1,1,0,0,0
Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nn2)cc1,0,0,0,0
CCN(CC)c1ccc(NC(=O)Cn2cc3c(n2)CCC(C)C3)c(C)c1,1,0,0,0
COc1ccc(-c2cn[nH]c2-c2ccc(O)cc2O)cc1,0,0,0,0
CCC(C)NC(=O)C1N2C(=O)c3c(ccc(OC)c3OC)C2SC1(C)C,0,0,0,0
O=C1Cc2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc2N1,0,0,0,0
Cc1ccccc1C(=O)N1CCC(N2CCN(Cc3ccc(F)cc3)C(=O)C2=O)CC1,0,0,0,0
O=S1(=O)C=C(SCc2cccc(Cl)c2)Nc2ccccc21,0,0,0,0
Cc1ccnn1-c1ccc(C(=O)N2Cc3cccnc3Nc3ccccc32)c(Cl)c1,0,0,0,0
CCCCS(=O)(=O)CC(COc1ccccc1)OC(=O)c1ccccc1,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)NC2CCC(CCN3CCC(c4coc5ccccc45)CC3)CC2)cc1,0,0,0,0
COCCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12,1,0,0,0
CNc1nc(C)c2cc(-c3cccc(OC)c3)c(=O)n(C3CCCC3)c2n1,0,0,0,0
CCOC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21,0,0,0,0
COc1ccc([C@@H](Cc2ccccc2)NC[C@@H](O)Cc2ccc(O)c(NS(C)(=O)=O)c2)cc1,0,0,0,0
COC(=O)c1cc(Br)c(=O)n(-c2cccc(F)c2)c1,0,0,0,0
CCOC(=O)c1sc2nc(N3CCOCC3)c3c(c2c1N)CCC3,1,0,0,0
CN1CCC(Oc2ccccc2Sc2ccc(C(F)(F)F)cc2)CC1,0,0,0,0
C/C=C/S(=O)(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
O=C1C(=O)N(Cc2ccccc2)c2ccc(Br)cc21,0,0,0,0
CCOC(=O)c1c(N)sc2c1CCCC2,0,0,0,0
Fc1ccc(NC2=NN=C(c3cc(F)ccc3F)CS2)cc1,1,0,0,0
Cc1cc(C)c2nc(N3CCC(C(=O)NCC4CCCO4)CC3)sc2c1,1,0,0,0
CCC1(OC)c2ccccc2-c2ccc(C(=O)NC(=N)N)cc21,0,0,0,0
Cc1cccc2cc(C#N)c(SCc3nnc(-c4ccccc4[N+](=O)[O-])o3)nc12,1,0,0,0
Nc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1,0,1,0,0
Cn1cc(-c2ccc3[nH]nc(-c4cc(N5CC[S+]([O-])CC5)ncn4)c3c2)cn1,0,0,0,0
CCCn1c(=O)c2c(nc3cc(OC)ccn32)n(CCCCOC(=O)c2ccc(S(=O)(=O)F)cc2)c1=O,0,0,1,0
COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC.Cl,0,1,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4ccc(OC)cc4)ccc3C)c(NC)n2)ccc1C,0,0,1,0
CCOC(=O)N1N=C(c2ccc(OC)cc2)CC1(O)C(F)(F)F,0,1,0,0
CC(C)NC(=O)c1ccccc1NC(=O)C1CC(=O)N(C(C)C)C1,0,0,0,0
CN1c2ccc(-c3cncc(C(F)(F)F)c3N3CCC4(CCNC4=O)CC3)cc2CS1(=O)=O,0,0,0,0
Cc1c(NC(c2nnc(-c3ccc(C#N)cc3)o2)C(C)O)ccc(C#N)c1Cl,0,0,0,0
CSc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1,0,0,0,0
CCCc1[nH]nc2c(=O)[nH]c(-c3ccccc3O)nc12,0,0,0,0
O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc2sc(CN3CCC(c4ccccc4)CC3)cc2c1,0,0,0,0
CN(C)c1ccc(Nc2ncc3c(n2)-c2sc(N)nc2CC3)cc1,0,0,0,1
COc1ccc(C(=O)N2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1,0,0,0,0
N#Cc1cccc(NC(=O)N2CC3(CCN(C(=O)Oc4ccccc4)CC3)C2)c1,1,0,0,0
CCS(=O)(=O)NC[C@@H](C1CC1)N1C(=O)[C@](C)(CC(=O)O)C[C@@H](c2cccc(Cl)c2)[C@@H]1c1ccc(Cl)cc1,0,0,0,0
c1ccc(-c2cc3cnc(N4CCn5cnnc5C4)nc3nc2-c2ccc(CN3CCC(c4nc(-c5ccccn5)n[nH]4)CC3)cc2)cc1,0,0,0,0
N#Cc1c(NC2CCCCC2)nc(-c2ccco2)c2c1CCCC2,0,0,0,0
Cc1nc(N2CCN(C(=O)c3ccco3)CC2)c2oc3ccccc3c2n1,0,0,0,0
O=C(Cc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2ccccc2)cc1,1,0,0,0
CCOC(=O)c1c(-c2ccc(C)cc2)cn2ccccc12,0,0,0,0
CN1CCN(CCc2ccc(Nc3ncc4c(=O)c(C(=O)NCCO)cn(-c5ccc6c(c5)CCC6)c4n3)cc2)CC1,0,0,0,0
C[C@H]1CN(CCCc2ccccc2)[C@@H]2C[C@@H](N)C[C@@]1(c1cccc(O)c1)C2,0,0,0,0
c1ccc2nc(N3CC(c4nccnc4-c4cncnc4)C3)ccc2c1,0,0,0,0
O=c1ccccn1Cc1c(F)cccc1Cl,0,0,0,0
O=C(O)CCc1ccc(OCc2cc(Cl)ccc2-c2ccccc2)cc1,0,0,0,0
CCCCCCCNC(=O)CN1N=C(c2ccc(C)cc2)CCC1=O,1,0,0,0
O=C(c1ccc(Cl)cc1)C1C2C(=O)N(c3ccc(Cl)cc3)C(=O)C2C2c3ccccc3C=NN12,1,0,0,0
Clc1ccc(-c2nc3c(N4CC5CCN(Cc6ccccc6)C5C4)ncnc3o2)cn1,0,0,0,0
CN(C)C(=O)Cn1cc(S(=O)(=O)Cc2ccccc2)c2ccccc21,0,0,0,0
CC1=C(C(N)=O)C(c2ccc(C(C)C)cc2)N2N=C(SCc3ccccc3)NC2=N1,1,0,0,0
CCC(=O)N1CCN(C(=O)c2cc(Cc3n[nH]c(=O)c4ccccc34)ccc2F)CC1,0,0,0,0
CC1(C)[C@@H](Nc2c(C(N)=O)cnn3cc(-c4ccc(F)nc4)cc23)CC[C@@]1(C)C(N)=O,0,0,0,0
CS(=O)(=O)Nc1c(O)ccc2c1CCCC2c1cnc[nH]1,0,0,0,0
Cc1ccc(CN2CC(CCN3CC(N4CCOCC4)C3)(c3ccc(Cl)c(Cl)c3)CCC2=O)cc1,0,0,0,0
O=C(O/N=C/c1ccc(O)c(F)c1)c1cccnc1,0,0,0,0
CCOC(=O)CCc1cnccc1N1CCC(COc2ccc3c(c2)CN(C(=N)N)CC3)CC1,0,0,0,0
C=CCOc1ccccc1CNc1cccc(F)c1,0,0,0,0
O=C(O)c1cnn(-c2ccc(COCc3ccc(Cl)cc3)cn2)c1,0,0,0,0
CCN(CC)c1ccc(/C=N/Nc2nc(C)cc(=O)[nH]2)cc1,0,1,0,0
COc1ccc2c(OCc3nnn4ccc(-c5ccccc5)cc34)ccnc2c1,0,0,0,0
CS(=O)(=O)c1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
O=C(NNC(=S)NCc1ccc(Cl)cc1)c1ccc2c(c1)OCO2,1,0,0,0
COC(=O)c1cccc2c1-c1cc(F)ccc1C2(O)C(F)(F)F,0,0,0,0
CS(=O)(=O)N1CCN(C(c2cccnc2)c2ccc(C(F)(F)F)cc2F)CC1,0,0,0,0
COc1ccc(N(CC(=O)N2CC=C(c3ccccc3)CC2)S(=O)(=O)c2c(C)noc2C)cc1,1,0,0,0
Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(F)c2)c1Sc1ccccc1,0,0,0,0
Cc1cc2c(s1)Nc1ccccc1N=C2N1CCN(C)CC1,0,0,0,0
Cc1ccc(F)cc1C1CCc2cc(Oc3ncc(C(=O)N4CC[C@@H](O)C4)s3)ccc2O1,0,0,0,0
C=CCNC(=S)NNC(=O)Cn1c(-c2ccccc2)cc(=O)n2ncnc12,0,0,0,0
O=C(NC1CCCCC1)c1noc2c1CCCCC2,0,1,0,0
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCN(S(C)(=O)=O)CC1,0,0,0,0
CC(=O)C(C)(C)OC(=O)N1CCc2cc(OCc3ccccc3)ccc2C1C(=O)NCCN(C(C)C)C(C)C,0,0,0,0
O=c1[nH]nc(C2(Cc3cncc(Nc4ccn[nH]4)n3)CCC(Oc3cccc(Cl)c3F)CC2)o1,0,0,0,0
Cc1nc(CN2C(=O)c3c(nc(N4CCC[C@@H](N)C4)n3CC3CC3(F)F)N3CCN=C23)nc2ccccc12,0,0,0,0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2c(OCC3OC(O)C(O)C(O)C3O)c(O)cc(O)c12,0,0,0,0
CS(=O)(=O)c1ccc(-c2ccc3c(N)nc(N)nc3c2)cc1,0,0,0,0
COc1ccc(C2CC(=O)N(Cc3cccc(C)c3)c3c2c(C)nn3-c2nc(C)cc(C)n2)c(OC)c1,1,0,0,0
Fc1ccc(-n2cccn2)c(C2Cc3nccn3C2)c1,0,0,0,0
CC(C)c1ccc(N2C(=O)NC(=O)/C(=C/c3cnc(-c4ccccc4)nc3)C2=O)cc1,0,0,0,0
N#Cc1ccc(N2CCc3c(-n4ccc(-c5nccs5)n4)ccnc32)c(Cl)c1,0,0,0,0
COC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1)C(=O)O,0,0,0,0
CC1=C(C(=O)N2CCN(c3cc(C)ccc3C)CC2)C2(CCC(C)CC2)OC1=O,0,0,0,0
N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Cc2ccccc2)cc1,0,0,0,1
FC(F)(F)Oc1cccc(-n2nnc3ccc(N4CCNCC4)nc32)c1,0,0,0,0
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NC[C@H](O)CO)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O,0,0,0,0
NC(=O)C(c1ccccn1)c1ncc(C(F)(F)F)cc1Cl,0,0,0,0
CCCCOc1cccc(C(=O)N(Cc2cccs2)c2ccc(OC)cc2)c1,0,0,0,0
O=C(CCl)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1,0,0,0,0
COc1ccc(/C=C2\N=C(C)OC2=O)cc1[N+](=O)[O-],0,0,0,0
COc1ccc(CNC(=O)c2ccc(-c3nc(CSc4ccc(C)cc4)c(C)o3)cc2)cc1OC,1,0,0,0
COc1ccc(Cc2nc3ccc(C(=O)N(C)C(C)c4nccs4)cc3o2)cc1,1,0,0,0
O=c1c2ccccc2c(C=NCc2ccccn2)c(O)n1-c1ccccc1Cl,0,0,0,0
COc1ccc(Cl)cc1C1CC(=O)Nc2cc3c(cc21)OCCO3,0,0,0,0
N#CCC(=O)Nc1ccc(C(=O)OCC(=O)NCCCc2ccccc2)cc1,1,0,0,0
O=Cc1c(Sc2ccccc2)nc2ccccn2c1=O,0,0,0,0
Cn1c(=O)c2c(nc3n2CCN(CCc2ccc(O)cc2)C3)n(C)c1=O,0,0,0,0
CN(Cc1nncn1C)C(=O)c1cc(C#N)ccc1C1C2=C(CCC2=O)N(c2cccc(C(F)(F)F)c2)C(=O)N1C,0,0,0,0
CC(=O)Nc1ccc(NC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,1,0,0,0
COc1ccccc1-n1nc(OC2CC(C)(C)OC(C)(C)C2)cc1-c1ccc(Cl)cc1,0,0,0,1
C[C@@H]1CN(Cc2ccn(-c3cccnc3N3CCC(Oc4ccccc4F)CC3)n2)C[C@H](C)N1,0,0,0,0
Clc1ccccc1Sc1ccc(-c2ccccn2)s1,1,0,0,0
Cn1sc(=O)n(Cc2ccccc2)c1=O,0,1,1,0
CC(CCCN1C(=O)CC2(CCCC2)CC1=O)N1CCN(c2ncccn2)CC1,0,0,0,0
CCOC(=O)N1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1,0,0,0,0
N[C@H](CNc1nc(-c2cn[nH]c2)nc2sc3c(c12)CCCC3)Cc1ccccc1,0,0,0,0
O=C(CCl)OCCn1c(=O)oc2cc3ncnc(Nc4ccc(F)c(Cl)c4)c3cc21,0,0,0,0
O=C(c1ccc(NS(=O)(=O)c2cccc3csnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1,0,0,0,0
CC(C)(O)C(F)(F)CNC(=O)c1cnc(-n2ncc3cc(C#N)cnc32)cc1Nc1cnn(CC(F)F)c1,0,0,0,0
CC(C)(C)OC(=O)N1CCC(CC#N)(n2cc(C(N)=O)c(Nc3ccc(F)cn3)n2)CC1,0,0,0,0
O=C(NCC(c1ccco1)N1CCN(c2ccc(F)cc2)CC1)c1ccco1,1,0,0,0
Cc1ccc(S(=O)(=O)c2nc(S(=O)(=O)c3ccccc3)sc2NCCCOC(C)C)cc1,0,0,0,0
CCCCSCCCNC(=O)CCCN1C(=O)c2ccccc2Sc2ncccc21,1,0,0,0
CCN1C(=O)/C(=C\C=C\c2ccccc2[N+](=O)[O-])SC1=S,0,0,0,0
CCNc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccccc3)c2n1,0,0,0,0
CCC(=O)N=C(N)Nc1nc(C)c2cc(C)c(C)cc2n1,0,0,0,0
COc1ncccc1C1C(C(=O)CC(C)C)C(=O)C(=O)N1c1ccc(-c2ccoc2)cc1,0,0,0,0
Cc1sc2ncn(CCC(=O)O)c(=O)c2c1C,0,0,0,0
COc1ccccc1CNC(=O)C(=O)NCC(c1cccnc1)N1CCN(c2ccc(F)cc2)CC1,1,0,0,0
O=C(c1ccccc1)c1c(O)cc(-c2ccccc2)oc1=O,0,0,0,0
O=C(c1nn(-c2ccccc2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1,0,0,0,1
CNc1nc(N)nc2nc(-c3c(Oc4ccccc4)cccc3C(F)(F)F)ccc12,0,0,0,0
N#CC1(n2cc([C@@H](NCc3ccccc3)C3CCCCC3)nn2)CC1,0,0,0,0
Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)NC(=O)NCC(C)C,0,0,0,0
CCCOc1ccc(CNC(=O)Cc2cccs2)cc1,0,1,0,0
COc1cc(/C=N/N2CCOCC2)ccc1OCc1ccc(Cl)cc1,0,1,0,0
Cc1ccc2oc(=O)n(CCCOc3ccccc3)c2c1,0,1,0,0
CCCCCCNC(=O)N(C)c1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1,0,0,0,0
O=C(N1CCN(Cc2ccccc2)CC1)C(Cl)(Cl)Cl,0,0,0,0
Nc1ncc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12,0,0,0,0
CN1CCC23CCCCC2C1Cc1ccc(OCc2ccccc2)cc13,0,0,0,1
O=c1c2ccccc2[nH]c(=S)n1Cc1ccc2c(c1)OCO2,0,0,0,0
O=C(CN1CCN(Cc2ccc3c(c2)OCO3)CC1)NCC(F)(F)F,0,0,0,0
CCC1=C2CCC3C(=O)N(CC)C(=O)C3C2C2(Cc3ccccc3)C(=O)N(CC3CC3)C(=O)N2C1=O,0,0,0,0
COC(=O)c1ccc(N2CCN(C)CC2)cc1NCCc1ccccc1,0,0,0,0
O=C(c1ccc2[nH]c(=O)c3c(c2c1)CCSC3)N1CCN(c2ccncc2)CC1,0,0,0,0
C(=NNc1nc(-c2ccccc2)cs1)c1ccco1,1,0,0,0
Cc1cccc(C)c1N1C[C@@](CN2CCN(CC(F)(F)F)CC2)(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)[C@H](C)C1=O,0,0,0,0
CN(C)C(=O)c1nc2ccc(Cl)cn2c1CN1CCN(c2ncccn2)CC1,0,0,0,0
COCCn1c(C)cc(O)c(C(c2ccccc2)N2CCCCC2)c1=O,0,0,0,0
O=C1c2ccccc2N2C(=O)c3ccccc3[C@H]2N1c1ccccc1,0,0,0,0
CC(=O)Nc1nc(C(=O)O)cs1,0,0,0,0
Nc1ncnc2c1c(-c1ccc(Nc3nc4cccc(Cl)c4o3)cc1)nn2C1CCC(N2CCOCC2)CC1,0,0,0,0
Oc1ccccc1CNc1cnc2ccccc2c1,0,1,0,0
CCOc1cccc(C=NNC(=S)Nc2ccccc2[N+](=O)[O-])c1O,0,0,0,0
CC1CN(c2ccc(S(=O)(=O)C(C)C)c(N)c2)CC(C)O1,0,0,1,0
CCCOCCn1c(=O)nc(NCC(=O)N(C)C)c2nnc(-c3ccc(OC)nc3)cc21,0,0,0,0
N#Cc1nc(-c2cccc3ccccc23)oc1N1CCCCC1,1,0,0,0
COc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1,0,1,0,0
CCC(=O)c1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
Cc1ccc2cc(C(c3nnnn3Cc3ccccc3)N3CCc4ccccc43)c(O)nc2c1C,1,0,0,0
COc1cc(C(=S)N2CCCC2)ccc1O,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)c1ccc(NC(=O)NS(=O)(=O)c2ccccc2)cc1)C(C)C)C(=O)c1nc2ccccc2o1,0,0,1,0
Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCC(C)CC4)C3)c(C)o2)c1,1,0,0,0
N=C1S/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1,1,0,0,0
Cc1nccc(-c2ccc(C(=O)N3CCN(C4CCCC4)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1,0,0,0,0
O=C(O)c1cc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)ccc1Cl,0,0,0,0
COc1cccc(-c2cc(C(=O)N3CCN(C4CCN(C(=O)C5CCN(C(C)=O)CC5)CC4)CC3)cc(-c3ccc4[nH]ccc4c3)n2)c1,0,0,0,0
CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(NC(C)=O)cc1,0,0,0,0
NC(=O)c1nc(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)nc(N2CCOCC2)n1,0,0,0,0
CN(C)CCNc1ccc(Nc2c(C(=O)C3CC3)cnc3ccc(-c4cc(Cl)c(O)c(Cl)c4)cc23)cn1,0,0,0,0
NS(=O)(=O)c1c(F)cccc1NS(=O)(=O)/C=C/c1ccc(-c2ccco2)cc1,0,0,0,0
O=C1C2CCC=CC2C(c2ccccc2Br)N1Cc1ccccc1,0,0,0,0
CC[C@@H](Nc1ccc(Cl)c(CN2CC[C@@H](C(=O)O)C2)c1)c1cc(C)c(Cl)c(C)c1,0,0,0,0
O=S(=O)(c1ccccc1)c1ccc2c(c1)CCNCC2,0,0,0,0
COc1ccc(CCNC(=O)CSCc2nc(-c3ccc(OC)c(OC)c3)oc2C)cc1OC,1,0,0,0
N#CC1(NC(=O)[C@H](CS(=O)(=O)N2CCN(c3ccccn3)CC2)Nc2cccnc2)CC1,0,0,1,0
Cc1cc(Nc2nc(SC(C)(C)C)cn3c(-c4cn[nH]c4)cnc23)sn1,0,0,0,0
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C(C)(C)C,1,0,0,0
CCC1CN(C(=O)NCc2ccccc2)c2cc(C)ccc2O1,1,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](C)NC(=O)[C@@H](C2CCCCC2)NC(=O)[C@H](NC(=O)[C@H](N)CCCN=C(N)N)CSSC[C@H](C(N)=O)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CC(=O)O)NC1=O,0,0,0,0
Cc1cc(CCC(=O)O)ccc1-c1cnc(-c2ccc(OC(C)C)c(C#N)c2)s1,0,0,0,0
COc1ccc(-c2cc(C)no2)cc1S(=O)(=O)N1CCOc2ccc(Cl)cc21,0,0,0,0
C=CC(=O)Nc1cccc(-n2cnc3cnc(Nc4ccc(N5CCN(CC)CC5)cc4)nc32)c1,0,0,0,0
N[C@H]1CN(c2ccncc2Nc2cccc3cnc(-c4c(F)cccc4F)nc23)CC[C@@H]1F,0,0,0,0
CCN(CC)CCNc1ccc2ncn3c4cc(OC)c(OC)c(=O)c4c(O)c1c23,0,0,0,0
CCN(CC)CCNC(=O)CCc1cccc(Nc2ncc(Br)c(Nc3cc(C4CC4)[nH]n3)n2)c1,0,0,0,0
CC1CCC(NC(=O)c2ccc(CNc3c(NC4CCCCC4)c(=O)c3=O)cc2)CC1,1,0,0,0
O=C(Cn1nnc(-c2ccccc2NC(=O)c2ccccc2)n1)Nc1ccc2c(c1)OCCO2,1,0,0,0
CN(C)C(=O)c1cccc(-c2ccccc2)c1Oc1ccc(S(=O)(=O)c2ncns2)cc1C#N,0,0,0,0
CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NCCCN2CCOCC2)c1,1,0,0,0
CC(C)CC(C)C(=O)N(Cc1ccccc1)c1ccccc1,0,0,0,0
CC1CC=CC2C1C(=O)N(Cc1ccccc1)C2c1ccc(F)c(Br)c1,0,0,0,0
CN1C2CCC1CC(OC(=O)c1cc(-c3ccccc3)nc3ccccc13)C2,0,0,0,0
Cc1cc(N2CCOCC2)ccc1/C=C\[N+](=O)[O-],0,1,0,0
N=C(N)c1ccc(OC(=O)c2ccc(-c3cccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)c3)s2)cc1,0,0,0,0
Cc1ccnc(C2CN([C@H](C)c3nc4c(cnn4C4CCCC4)c(=O)[nH]3)C2)n1,0,0,0,0
Cc1ccc(Cl)c2c1[C@@H]1CNCCN1C2=O,0,0,0,0
O=S(=O)(Nc1ccc(CCNC[C@H](O)COc2ccc(F)cc2)cc1)c1ccc(I)cc1,0,0,0,0
CC1CCC2(CC1)NC(=O)N(CC(=O)Nc1nc(-c3ccc(F)cc3)cs1)C2=O,1,0,0,0
CCOC1=CC(=Cc2c(-c3ccccc3)[nH]oc2=O)C=CC1=O,0,0,0,0
CC(C)c1ccc(CNCCSc2nnnn2C)cc1,0,0,0,0
COCCNC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12,1,0,0,0
CCCOc1ccc(Cl)cc1CNc1ccccc1,0,0,0,0
CCCn1c2ccc(F)cc2c2nnc(SCCN3CCCCC3)nc21,0,0,0,0
CCCCC[C@]1([C@H](Oc2nc(C)cc(C)n2)C(=O)O)NCC(=O)N(Cc2ccc(OC)cc2)c2ccccc21,0,0,0,0
CCCC(=O)NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1,0,0,0,0
COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccccc3)CC2C(=O)NO)cc1,0,0,0,1
O=[N+]([O-])c1ccccc1Oc1ccc(Cl)c2cccnc12,0,0,0,0
CC(C)CCOP(=O)(c1ccc(N(C)C)cc1)C(O)c1ccc(Cl)cc1Cl,1,0,0,0
Cc1c(N=Cc2cc3c(cc2Cl)OCO3)c(=O)n(-c2ccccc2)n1C,0,0,0,0
C=CCNC(=O)CSc1nc2sc3c(c2c(=O)n1CCCOC)CCC3,0,0,0,0
COc1ccccc1NS(=O)(=O)c1cc(-c2cc(C)no2)ccc1OC,0,0,0,0
CCOC(=O)c1ccc(-c2cc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0,0,0,0
CCN(CC)c1nc(SC)nc2c1cnn2CC(Cl)c1ccccc1,0,0,0,0
OC(CN(Cc1cccc(OC(F)(F)C(F)F)c1)c1cccc(Oc2cccc(F)c2)c1)C(F)(F)F,0,0,0,0
S=c1[nH]nc(C23CC4CC(CC(C4)C2)C3)n1Cc1ccco1,0,0,0,0
CCOC(=O)C1=C(C)N(CCCCCC(=O)O)C(=O)NC1c1ccc([N+](=O)[O-])cc1,0,0,0,0
COc1cccc(-c2c(C(N)=O)c3n(c2Cl)CCN(C(=O)NC(C)(C)C)C3)c1,0,0,0,0
CC(C)CN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)C1CCS(=O)(=O)C1,0,1,0,0
C=CC(=O)Nc1cc(Nc2ncc(C(=O)Nc3cc(NC(=O)c4ccccc4OC)ccc3C)c(NC)n2)ccc1C,0,0,1,0
CCCn1c(N)c(C(=O)CSc2nnnn2-c2ccc(O)cc2)c(=O)n(C)c1=O,1,0,0,0
CS(=O)(=O)C1=C(O)C(=O)N(c2ccccc2)C1c1ccccc1,0,0,0,0
CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C[C@@H](N)CS,0,0,0,0
Cc1ccn2nc([C@H](C)Nc3ncnc(N)c3-c3cc(O)cc(C(=O)N(C)C)c3)n(-c3ccccc3)c(=O)c12,0,0,0,0
COC(=O)c1ccc2c(c1)N=C1CC(C)(C)CC(=O)C1C(c1ccncc1)N2,1,0,0,0
CCN1C(=O)NC(=O)C(=CNCc2cccs2)C1=O,0,0,0,0
CCCCCCCn1nc(-c2cc(C3CC3)on2)c2c(N)ncnc21,0,0,0,0
CCn1c([C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)nc2cnc(C3CC3)cc21,0,0,0,0
Cc1ccc(CSC2=CS(=O)(=O)c3ccccc3N2)cc1,0,0,0,0
O=C(O)c1cccc(S(=O)(=O)N2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1,0,0,0,0
C[C@](O)(c1ccc(C(=O)N(C2CCC(F)CC2)C2CC2)cc1)C(F)(F)F,0,0,0,0
Fc1ccc(-c2ncoc2-c2ccc3nnc(N4CCCC4)n3c2)cc1,0,0,0,0
Cc1ccc2nc(NC(=O)[C@H](C)N3C(=O)C4CC=CCC4C3=O)sc2c1,0,1,0,0
CC(Nc1nc(=NC2CC2)n2nc/c(=C\c3[nH]c(=O)[nH]c3O)c2n1)c1cccs1,0,0,0,0
COc1cc2nc(Nc3ccc(C)c(Cl)c3)nc(N)c2cc1OC,0,0,0,0
COc1ncc(-c2cc3c(n2C(C)C)C(c2ccc(Cl)cn2)N(c2ccc(F)c(Cl)c2)C3=O)c(OC)n1,0,0,0,0
CC(C)(C)c1ccc(-c2nc(C#N)c(NCc3ccncc3)o2)cc1,0,1,0,0
Cc1nnc(N(C)C2CCc3c(c4cc(F)ccc4n3CC(=O)O)C2)s1,0,0,0,0
CC(Oc1ccc2c(c1)OC[C@@H](Cc1ccccn1)[C@@H]2O)c1ccc2ccccc2n1,0,0,0,0
COC(=O)c1cccc(COC(=O)c2ccc(CS(=O)(=O)c3ccc(C)cc3)cc2)c1,0,0,0,0
C=C1C(=O)O[C@H]2c3c(C)c(OC(=O)/C=C/c4ccc(F)cc4)cc(C)c3CC[C@@H]12,0,0,1,0
CC1CCC(C(C)C)C(=O)C1=Cc1ccc(NC(=O)CCC(=O)O)cc1,0,0,0,0
c1ccc(-c2ncnc3cc4n(c23)CCC4)cc1,0,0,0,0
Cc1nc2ccccc2n1CCNCc1ccc(/C=C/C(=O)NO)cc1,0,0,0,1
O=C(c1ccc(CSc2ccccc2)cc1)N1CCCCCC1,0,1,0,0
CCN(CC)CCCNc1nc(/C=C/c2ccc(F)cc2)nc2ccc(Cl)cc12,0,0,1,0
COc1cccc(C=C2SC(=S)N(N3CCOCC3)C2=O)c1OC,1,0,0,0
O=c1nc(SCc2ccccc2Cl)[nH]c2c1cnn2-c1ccccc1,1,0,0,0
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccco1,0,1,0,0
CNC(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)C(C)CNCC3)ncc1Cl,0,0,0,0
Cc1ccc(F)c(C2C3C=CCCC3(C)C(=O)N2Cc2ccccc2)c1,0,0,0,0
C[C@H]1CC2(CCN(C[C@H](O)c3ccc4c(c3)-c3nnnn3C4)CC2)C(=O)N1C1=CC(=O)OC1,0,0,0,0
C=CCn1c(-c2ccccc2OCC)n[nH]c1=S,0,0,0,0
c1cncc(-c2noc(-c3cccc4ccccc34)n2)c1,0,1,0,0
COc1cc(OC)c(C2CCC(=O)N2Cc2ccc(OC(F)(F)F)cc2)c(OC)c1,0,0,0,0
Cc1ccc(NS(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1C,0,0,0,0
CCCCC(CC)Cn1c(O)c(C=C2C=NN=C2c2ccccc2)sc1=S,0,0,0,0
COC(=O)c1c(C)[nH]c(C(=O)C(C)Sc2nnc(-c3cc(OC)c(OC)c(OC)c3)o2)c1C,1,0,0,0
COCC1(OC)c2ccccc2-c2ccc(C(=O)NC(=N)N)cc21,0,0,0,0
CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3C[C@H]2CN3C2CCCCC2)cc1,0,0,0,0
C=CS(=O)(=O)Nc1cccc(Cc2nn(C3CCCC3)c3ncnc(N)c23)c1,0,0,0,0
CC(C)(C)c1cc(CN2CCN(CCC#N)CC2)cc(C(C)(C)C)c1O,1,0,0,0
CCOCCCNC(=O)CNC(=S)N(Cc1ccccc1F)C1CCCCC1,1,0,0,0
O=S(=O)(NCC1CCCO1)c1ccc(NC2CCCCC2)cc1C(F)(F)F,0,0,0,0
Cc1nc2cnc(N3CCN(C)CC3)nc2n(C2CC2)c1=O,1,0,0,0
CC1CCN(c2ccc([N+](=O)[O-])cn2)CC1,0,0,0,0
CCOc1ccc(CCNC(=O)C2CCCN(S(=O)(=O)c3c(C)n[nH]c3C)C2)cc1OCC,1,0,0,0
COC(=O)c1nc2ccc(N3CCOCC3)cc2c(C)c1C(=O)OC,0,1,0,0
CNc1ccc(-c2cn([C@]34CC(F)(F)C(C)[C@@H](/C=C/c5ccc(-c6ccccc6C#N)cn5)C3[C@H](C)OC4=O)nn2)cc1,0,0,0,0
CC(=O)OC1CCC(C)OC12OC=C1C(=O)C(C)(OC(C)=O)C(=O)C(O)=C1C2OC(C)=O,0,0,1,0
Clc1ccccc1C=NNC1=Nc2cccc3cccc1c23,1,0,0,0
Cc1cc2c(-c3nc4c(c(C5(S(C)(=O)=O)CC5)n3)OC[C@@H]3COCCN43)cccc2[nH]1,0,0,0,0
O=C(C1CC1)N1CCN=C1SCc1cccc(F)c1,1,0,0,0
COc1ccccc1N1CCN(CCN2C(=O)CC3(CCCC3)CC2=O)CC1,0,0,0,0
CNc1nc(Nc2ccc3nc(C)cc(N)c3c2)nc(Nc2ccc3nc(C)cc(N)c3c2)n1,0,0,0,0
CCc1ccc(Nc2cc(C)nc3ncnn23)cc1,0,0,0,0
CCOC(=O)c1c(-c2ccccc2)cn2ccccc12,0,0,0,0
COc1ccc2c(c1)c1nc(SCC(C)C)n(CCO)c(=O)c1n2C,1,0,0,0
Cc1cnc2[nH]cc(Cc3ccc(NCc4cnccc4C(F)(F)F)nc3)c2c1,0,0,0,0
COc1ccc(S(=O)(=O)n2cc(C3=C(Cl)CN(C)C3)c3cc(OC)ccc32)cc1,0,0,0,0
Fc1ccccc1Cc1noc(CN2CCN(c3ccc(Cl)cn3)CC2)n1,1,0,0,0
O=C1N[C@H](C(=O)O)Cc2cccc(c2)OC/C=C/COc2ccc1c(Cl)c2,0,0,0,0
Cc1ccccc1Oc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1,0,0,0,0
Cc1cc(S(=O)(=O)Nc2cccnc2)c(C)s1,0,0,0,0
CCN(CC)C(=O)C(c1ccccc1)N1CCN(c2ccc(-c3nc(C)no3)cc2F)CC1,0,0,0,0
CC(O)(CS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1,0,0,0,0
CC1[C@@H](/C=C/c2ccc(-c3ccccc3C#N)cn2)C2[C@H](C)OC(=O)[C@]2(NC(=S)NC2CC2)CC1(F)F,0,0,0,0
CCOC(=O)N1CCC(Nc2nc3ccccc3n3nnnc23)CC1,0,0,0,0
CCc1cnc2c(c1SCCC(C)C)c(=O)n(C)c(=O)n2C,0,0,0,0
Cn1ncnc1COc1nn2c(-c3ccccc3Cl)nncc2c1-c1ccccc1F,0,0,0,0
CC(=O)OC1CCC2(C)C(CCC3C2CC(=O)C2(C)C3CC3OC4(CCC(C)CO4)C(C)C32)C1,0,0,0,0
COc1ccc2c(c1O)[C@]13CCN(C)C(C2)[C@]12CCC(=O)[C@H]3/C(=C(\C)c1ccccc1)C2,0,0,0,0
CS(=O)(=O)c1ccc(-c2nc(NCc3ccsc3)cc(C(F)(F)F)n2)cc1,0,0,0,0
Brc1cccc(-c2nnc3sc(-c4ccoc4)nn23)c1,0,0,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(C)cc3)c2=O)cc1,0,0,0,0
O=C(c1ccccn1)N(Cc1ccco1)C1(C(=O)NC2CCCC2)CCCCC1,0,0,0,0
CCCCNC(=O)CN1C(=O)C(CC)Oc2ccc(Cl)cc21,0,0,0,0
CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1OP(=O)(O)O,0,0,0,0
CC(C)(C)Cn1c(=O)[nH]c(=O)c2cc([N+](=O)[O-])cnc21,0,0,0,0
O=C(O)c1ccc(-c2ccc3ncnc(NCCc4cnc[nH]4)c3c2)o1,0,0,0,0
COc1cc(-c2ccno2)ccc1S(=O)(=O)N1CCN(c2cccc(Cl)c2)CC1,1,0,0,0
COC(=O)[C@H](c1ccc(N)c(I)c1)[C@H]1CCCCN1,0,0,0,0
N#Cc1cnc2ccc(-c3cc(F)c(O)c(Cl)c3)cc2c1N1CCC(CN2CCCC2)CC1,0,0,0,0
O=S(=O)(c1ccccc1)c1ccc2oc3c(c2c1)CNCC3,0,0,0,0
OCCN1CN=C(Nc2nc3ccccc3s2)NC1,0,0,0,0
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)CC2)c(C)c1NS(C)(=O)=O,0,0,0,0
Cc1cc(Nc2nccc(C(F)(F)F)n2)cc(-c2cc(N)cc(C(=O)O)c2)c1,0,0,0,0
Cc1[nH]c2ccccc2c1C(Nc1ccccn1)c1ccc(Br)cc1,0,0,1,0
COc1ccc2c(c1)C1=NN(/C(C)=C/C(C)=O)C(c3ccc(F)cc3)C1CC2,0,1,0,0
O=C(CCl)N1N=C(c2cccs2)CC1c1ccco1,0,0,0,0
CCCC1(c2ccc(F)cc2)c2c(ccc(F)c2F)NC(=O)N1CC(F)(F)F,0,0,0,0
COCC(=O)N(C)c1nnc(-c2cnc(C)cn2)s1,0,0,0,0
NCCCC[C@H](NC(=O)CCc1ccc(-c2ccc(-c3ccccc3)cc2)cc1)C(=O)N[C@@H](CCC(=O)O)C(N)=O,0,0,0,1
Cc1ccc(-c2nc3ccc(C4=NNC(=O)C5CC45)cc3o2)cc1,0,0,0,0
COCCN1C(=O)NC(c2ccc(Br)cc2)C(C(=O)OC)=C1C,0,0,0,0
Cc1ccc(CSc2nnc(C[S+]([O-])Cc3ccc(Cl)cc3Cl)n2C)cc1,1,0,0,0
CC(Br)C(=O)Nc1cccc(-c2ncnc3[nH]ccc23)c1,0,0,1,0
CCOc1cc(-c2cnn(CCCC(=O)O)c2)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
Oc1ccc(-c2csc(NCc3ccco3)n2)cc1,0,1,0,0
O=C1CCCc2nc(N3CCN(c4ccccc4)CC3)ncc21,0,0,0,0
COc1ccc(C2(CCN3CCC(C(=O)c4nc5ccccc5[nH]4)CC3)CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)C2)cc1OC,0,0,0,0
c1cnc2nc(-c3ccc4[nH]ncc4c3)cn2c1,0,0,0,0
COc1cc(Nc2cc(C)nc3nc(C)nn23)cc(OC)c1OC,0,0,0,0
CCCc1cc(=O)nc(SCc2ccc(C#N)cc2)[nH]1,0,0,0,0
CCCN(c1ccccc1F)S(=O)(=O)c1cc(-c2cc(C)no2)ccc1C,0,0,0,0
Cc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1,1,0,0,0
CCSc1nc(=O)c2c3c(sc2[nH]1)-c1ccccc1CC3,1,0,0,0
CC(=O)Nc1cccc(C2CCN(CCCn3nc(-c4ccc(Cl)cc4)c4c(c3=O)CCCC4)CC2)c1,0,0,0,0
Cn1cc(Nc2ncc3c(n2)-c2c(nn(C)c2-c2sccc2Cl)CC3)cn1,0,0,0,0
CCc1nnc2c3cnn(-c4ccccc4)c3ncn12,0,0,0,0
COc1cccc(Cc2ccc3sc(-c4ccnc(N)n4)c(C)c3c2)c1,0,0,0,0
Cc1sc2nc(NCCO)[nH]c(=O)c2c1C,0,0,0,0
Fc1ccc(C2(c3ccc(F)cc3)CN=C(c3cccc(Br)c3)N2)cc1,0,0,0,0
Cn1c(O)c(N=NC(=O)c2ccccc2O)c2ccccc21,0,1,0,0
COc1ccc2nc(SCc3cccc(C)c3)nc(C)c2c1,0,1,0,0
O=C(NC(=S)Nc1ccc(N2CCOCC2)cc1)c1cccs1,0,1,0,0
Cc1ccc(-c2c(C)c3cc(O)ccc3n2Cc2ccc(OCCN3CCCCC3)cc2)cc1,0,0,0,0
Cc1ccc(-c2nc(CCCCC3COC(C)(C(=O)O)OC3)c(C)s2)cc1,0,0,0,0
CC(=O)Nc1ccc(CN2CCN(CCC(C)C)C(CCO)C2)cc1,0,0,0,0
CN(C)CCCCCOC(=O)Nc1cccc(Cn2nc(-n3ccc4ccc(F)cc43)ccc2=O)c1,0,0,0,0
CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(N(C)C)C2O)C(C)(OC)C2(CCCn3cnc(-c4cccnc4)c3)CC(C)C(=O)C(C)C3N(C2)C(=O)OC13C,0,0,0,0
CC=Cc1ccc(OCC(=O)Nc2cc(Cl)ccc2-n2cncn2)c(OC)c1,1,0,0,0
CN1CCN(Cc2ccc3c(c2)Cc2c(-c4ccc(-c5ccc(O)cc5)cc4)n[nH]c2-3)CC1,0,0,0,0
Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1-c1nc(CCO)[nH]c1C,0,0,0,0
C[C@@]1(O)C[C@H]2O[C@]1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,0,0,0,0
O=C(OCc1cccc2ccccc12)C1CC(=O)N(c2ccccc2)C1,0,0,0,0
OC1(C(F)(F)F)c2ccccc2-c2c(-c3cnn(C45CC6CC(CC(C6)C4)C5)c3)cccc21,0,0,0,0
CN(C)Cc1ccccc1-c1cc(NC2CC2)ncn1,0,0,0,0
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)/C=C/C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(=O)N[C@H](C(N)=O)C(C)C,0,0,1,0
O=C(O)CSc1nnc(-c2ccc3c(c2)OCO3)o1,0,0,0,0
Cc1nn(C)c(Nc2ccc(Br)cc2)c1Br,0,0,0,0
CC1CCN(c2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1,0,0,0,0
COCCOc1ccc(N2CCOc3cc(S(=O)(=O)Nc4ncns4)ccc32)cc1,0,0,0,0
Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1,0,1,0,0
COc1ccc(-c2[nH]ncc2-c2ccc(Cl)cc2)c(O)c1,0,0,0,0
COC(=O)C1C(C)OC(=O)NC1c1ccccc1,0,0,0,0
COc1ccc(-c2sc(-c3ccc(C)cc3)nc2O)cc1,0,0,0,0
CCC(Sc1nc2cc(OC)c(OC)cc2c(=O)n1CCc1ccc(S(N)(=O)=O)cc1)C(=O)NCCOC,1,0,0,0
CN1C(=O)[C@H](c2ccc(C#Cc3cccc(F)c3)cn2)[C@H]2CCCC[C@H]21,0,0,0,0
O=C1NC2(CCCC2)Oc2ccccc21,0,0,0,0
COc1ccc(C)cc1Nc1c2c(nc3nc(-c4cccs4)nn13)CCCC2,0,0,0,0
CCOc1ccccc1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
Cc1cc(-c2ccc(S(=O)(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)s2)on1,0,0,0,0
CN(C)Cc1ccccc1-c1ccc2ncnc(N(C)Cc3ccco3)c2c1,1,0,0,0
Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1,0,0,0,0
CCC12C(=O)N(c3ccc(OC)cc3)C(=O)N1C(c1cccc(C)c1)C1C(=O)N(Cc3ccccc3)C(=O)C12,1,0,0,0
CN(C)CCCn1c(=S)[nH]c2ccc(Cl)cc2c1=O,0,0,0,0
c1ccc(-c2csc3ncnc(-n4cnc5ccccc54)c23)cc1,0,0,0,0
COc1ccccc1N1CCN(CCCN2C(=O)C[C@H](NC(C)=O)C2=O)CC1,0,0,0,0
CN1CCN(C(=O)c2cccc(Cc3n[nH]c(=O)c4ccccc34)c2)CC1,0,0,0,0
O=C(O)CCC(=O)c1ccc(C2CCCCC2)c(Cl)c1,0,0,0,0
COc1ccc(CCn2ccc(O)c(Cc3ccc(Cl)cc3)c2=O)cc1OC,0,0,0,0
O=C(O)c1cccc(-c2cccc(Nc3nccc(C(F)(F)F)n3)c2)c1OC(F)F,0,0,0,0
Cn1cc(-c2nc3cnc(N4CCOCC4)nc3n(CCC#N)c2=O)c2ccccc21,0,0,0,0
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C)cc3)cc2)nn1,1,0,0,0
CC(=O)OC1CC(C)(C)C(=C=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C(=O)CC23OC2(C)CC(O)CC3(C)C)C(C)(O)C1,1,0,0,0
Nc1ncnc2c1ncn2C1CCN(C(=O)c2ccc(S(=O)(=O)F)cc2)CC1,0,0,1,0
CCN(CC)C(=O)CC(c1ccc2c(c1)OCO2)c1c(O)cc(OC)cc1OC,0,0,0,0
COc1cc(Oc2ncccn2)ccc1-c1cc2c(cc1F)ncc1ncn(C3(C)CCN(C(N)=O)CC3)c12,0,0,0,0
Cc1ncccc1C1C(C(=O)C(C)(C)C)C(=O)C(=O)N1c1ccc(-c2ccco2)cc1,0,0,0,0
Brc1ccc2c(c1)Oc1ccccc1O2,0,0,0,0
COc1ccc(-c2cc3c(=O)n(CC(=O)NCCCN4CCC(N5CCCCC5)CC4)ncn3n2)cc1,0,1,0,0
O=C(NC1CC1)c1ccc(-c2nc3ccccc3s2)s1,0,1,0,1
FC(F)Oc1ccc(Cl)cc1CN1CCN(c2nc3cnccc3nc2NC2CC2)CC1,0,0,0,0
COc1ccccc1NS(=O)(=O)c1ccc(N/N=C/c2c(C)nn(-c3ccccc3)c2N2CCCC2)c([N+](=O)[O-])c1,1,0,0,0
CCCc1nc(C)c2c(SC)nc3ccc(OC)nc3n12,0,0,0,0
CC(C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)/C=C/C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)O)C1CCCCC1)C(C)C)C(N)=O,0,0,1,0
COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cn(C)c5ccc(Br)cc45)C3)nc2c1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(C(C)(C)O)S1)c1ccccc1,0,0,0,0
Cc1ccc(S(=O)(=O)NCC(=O)NCC(=O)OCc2c(F)cccc2Cl)cc1,1,0,0,0
Nc1ccc(-c2ccc(-c3ccccc3S(=O)(=O)N[C@@H](c3ccccc3)C(F)(F)F)cc2F)cn1,0,0,0,0
c1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1,0,0,0,0
Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1cccc(OC(F)(F)F)c1,0,0,0,0
COc1ccc(-c2cccc(F)c2)cc1-c1n[nH]c(=O)c2cc(S(=O)(=O)Nc3ccncn3)ccc12,0,0,0,0
CCCSc1nc(C)c(-c2csc(C(C#N)=C3CCCC3)n2)cc1C#N,1,0,0,0
Cc1cccc(NS(=O)(=O)c2cc3c4c(c2)CCN4C(=O)CC3)c1C,0,0,0,0
CN(C)CCNC(=O)c1sc2nc(-c3ccccc3)cc(C(F)(F)F)c2c1N,1,0,0,0
CN1CCN(c2cccc3c2C(=O)CCN3S(=O)(=O)c2ccc3ccccc3c2)CC1,0,0,0,1
CSCC[C@H](NC(=O)c1ccc(/C=C/c2cnccc2C(=O)c2ccccc2)cc1-c1ccccc1C)C(=O)O,0,0,0,0
CC1CN(Cc2ccc(N3CCCC3)cc2)CC1c1nn2c(C3CCOCC3)ncc2c(=O)[nH]1,0,0,0,0
COc1cccc(Oc2cccc(N(Cc3cccc(OC(F)(F)C(F)F)c3)CC(O)C(F)(F)F)c2)c1,0,0,0,0
CC/C=C/COC(=O)C1=C(C)NC(=O)NC1c1ccc([N+](=O)[O-])cc1,0,0,0,0
CCOC(=O)C(=NNc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1,0,0,0,0
N#Cc1ncc(-c2ccc3ncc(C(=O)C4CC4)c(Nc4ccc(CN5CCOCC5)cc4)c3c2)cn1,0,0,0,0
COC(=O)c1c(C)oc(C)c1S(=O)(=O)N(Cc1ccccc1)C(C)C,0,0,0,0
COc1ccc(-c2cc3ncn(C)c(=O)c3c(NC(C)C)n2)cc1S(=O)(=O)N1CCOCC1,0,0,0,0
COc1ccc(-c2cc(C(F)(F)F)nc(-n3ccnc3C)n2)cc1,1,0,0,0
N[C@@H]1CCCN([C@H]2Cc3ccccc3[C@@H]2Oc2ccc(S(N)(=O)=O)c(Cl)c2Cl)C1,0,0,0,0
CN1CCN(c2cc3c(Nc4cccc(Cl)c4Cl)c(C(N)=O)cnc3cc2F)CC1,0,0,0,0
Cc1c(CCC(=O)O)c(=O)oc2cc(OCc3ccccc3Br)ccc12,0,0,0,0
CCNC(=O)/C(C#N)=C/c1c(N2CCN(Cc3ccc4c(c3)OCO4)CC2)nc2c(C)cccn2c1=O,0,0,0,0
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)Nc1ccc(N2CCOCC2)cc1,0,0,0,0
Cc1cc(OCC(C)(C)C(=O)O)ncc1-c1ccc(-c2ncc(C3(C(F)(F)F)CCC3)[nH]2)c(C)c1,0,0,0,0
O=C(NO)C1(S(=O)(=O)c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)CCOCC1,0,0,0,1
COC1CCN(CCOc2n[nH]c3ncnc(Nc4ccc(OCc5ccccn5)c(Cl)c4)c23)CC1,0,0,0,0
CCOC(=O)c1sc(NC(=O)CCN2CCN(C)CC2)c(C(=O)OCC)c1C,1,0,0,0
NC1CC(c2c[nH]c3ccc(Oc4ccccc4)cc23)C1,0,0,0,0
O=C(c1cccs1)c1coc2ccc(O)c(CN(CCO)CCO)c12,0,0,0,0
NS(=O)(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1,0,0,0,0
O=C(N1CCN(Cc2ccc3c(c2)OCO3)CC1)C(Cl)(Cl)Cl,0,0,0,0
C/C=C/c1cncc(-c2ccc(C(C)C(=O)O)cc2)c1,0,0,0,0
Cc1nc([C@H]2C[C@@H]2c2ccc3ccccc3n2)cc(-n2nc(C)nc2C)n1,0,0,0,0
COc1ccc(-c2ccc(C3C4C=CCCC4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1OC,0,0,0,0
C/C(=N/NC(=O)c1ccccn1)c1ccco1,0,1,0,0
CCOC(=O)c1cc(=O)n(Cc2ccccc2C)c2ccccc12,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](O)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(C(F)(F)F)c4)cn3)[C@H]12,0,0,0,0
COc1ccc(Cc2nc3ccc(C(=O)N4CCCCC4CCO)cc3o2)cc1,1,0,0,0
O=c1ncn(-c2ccc(-c3c(/C=C/c4ccc5ccccc5n4)nc4c(N5CCOCC5)ccnn34)cn2)[nH]1,0,0,0,0
CC1OC(OC2C3C=COC(OC4OC(CO)C(O)C(O)C4O)C3C3(CO)OC23)C(O)C(OC(=O)C=Cc2ccc(O)c(O)c2)C1O,0,0,1,0
Cn1ncc(-c2ccc(OCCCN3CCCCC3)cc2)cc1=O,0,0,0,0
Cc1ccc(N2CN=C3SCC(=O)N3C2)cc1C,0,0,0,0
C[C@@H]1O[C@@H](O[C@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)cc3)CC4=O)O[C@H](CO)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O,0,0,0,0
CCCCCNC(=O)NCCCC/C=C\CCCCCSc1nn[nH]n1,0,0,0,0
COCc1cc(C)nc(N2CCCCC2)c1C#N,0,0,0,0
COc1cccc(-c2cc(=O)c3cc(NC(C)=O)ccc3[nH]2)c1,0,0,0,0
C[C@H](N=C1NC(=O)C(C)(c2ccc(C(C)(C)C(N)=O)cc2)S1)c1ccc(F)cc1,0,0,0,0
O=c1c2ccccc2ncn1C1CCCCC1,0,0,0,0
CCN(C(C)C)[C@@H]1CC[C@H](N2CCC(c3nc4c(C(F)(F)F)cccc4[nH]3)C2=O)[C@H](CS(=O)(=O)c2ccccc2)C1,0,0,0,0
COc1cc(CN(C)C(C)C)cc2[nH]c(=O)c3c(c12)NCCC3,0,0,0,0
CN(Cc1ccccc1)Cc1c(-c2ccc(NC(=O)NO)cc2)sc2c1c(=O)n(-c1ccccc1)c(=O)n2Cc1c(F)cccc1F,0,0,0,0
COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(N4[C@H](C)COC[C@@H]4C)ncn3)c2c1,0,0,0,0
O=C(NCCc1c[nH]c2ccccc12)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCOCC1,1,0,0,0
c1cncc(CN2CCN(CCCc3c[nH]c4ccc(-n5cnnc5)cc34)CC2)c1,0,0,0,0
COC(=O)c1cc2ccsc2n1Cc1cc(=O)n2ccccc2n1,0,0,0,0
Cl.N[C@@H](Cc1c[nH]c2ccccc12)c1nnc(SCc2c(F)cccc2Cl)o1,0,0,0,0
CCNC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2ccc(OC)cc2-n2c(C)nnc21,0,0,0,0
CC1OC(OC2C(CO)OC(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C)C6CCC5(C)C3(C)CC4)C(O)C2O)C(O)C(O)C1O,0,0,0,0
CS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OCc1ccccc1-c1ccccc1,0,0,0,0
O=C(c1ccc(Oc2ncccc2-c2ncnc3nc[nH]c23)cc1)c1nc2ccccc2[nH]1,0,0,0,0
COc1cc(OC)c(OC)cc1C=NNC(=O)CC1C(=O)NN=C1C,1,0,0,0
C=CCOc1ccc(CNCc2cccnc2)cc1OCC,0,0,0,0
Oc1ccc(-c2cn[nH]c2-c2ccc(O)cc2)cc1,0,0,0,0
CCc1cc(-c2noc(NC(C)=O)c2-c2ccc(OC)cc2)c(O)cc1O,0,0,0,0
CCCc1nc2cccnc2n1-c1ccc(Nc2nc3ccccc3s2)cc1,0,0,0,0
O=C1C=Cc2ccccc2C1=NNc1cccc2cc(S(=O)(=O)O)ccc12,1,0,0,0
Cc1c(C(=O)NCCO)sc2ncnc(Nc3cccnc3OC(C)CCN)c12,0,0,0,0
CCN(Cc1ccccc1)c1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1Cl,0,0,0,0
CC(C)CC(=O)NC(NC(=S)Nc1sc2c(c1C#N)CCCC2)C(Cl)(Cl)Cl,1,0,0,0
O=C(O)c1cccc(-c2cccnc2)c1,0,0,0,0
Cc1cc(COc2ccc(S(=O)(=O)C3(C(=O)NO)CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cc2)c2ccccc2n1,0,0,0,0
Fc1ccc(-c2ccccc2[C@H]2CCCCc3cncn32)cc1,0,0,0,0
C=CCCC1(CC)C(=O)NC(=S)NC1=O,0,0,0,0
Cc1ccc2nc(-c3cccs3)c(Nc3ccc4c(c3)OCCO4)n2c1,0,0,0,0
COC(=O)C1=C(C)N(CCC2=CCCCC2)C(=O)C1,0,0,0,0
O=C1CN(C(=O)COC(=O)c2ccc[n+]([O-])c2)c2ccccc2N1,0,0,0,0
O=C(O)c1ccc(N/N=C/c2ccc3nccnc3c2)cc1,0,1,0,0
C[C@]1(CC(=O)O)C[C@H](c2cccc(Cl)c2)[C@@H](c2ccc(Cl)cc2)N([C@H](CS(=O)(=O)C2CCC2)C2CC2)C1=O,0,0,0,0
CCCCNC(=O)c1ccc(Oc2ccc3c(c2)OCC3CC(=O)O)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1,0,0,0,0
COc1ccc(C2(c3nc(COc4cc(OC)cc5oc(-c6cn7nc(OC)sc7n6)cc45)cs3)CCOCC2)cc1,0,0,0,0
COc1cc(Nc2ncc(-c3ccccc3N(C)C(=O)CO)o2)ccc1-c1cocn1,0,0,0,0
Cc1ccc([C@@H]2C[C@H]2COc2cc(NCc3c(Cl)c(C)nn3C)c(=O)n(C)n2)nc1,0,0,0,0
O=C(CSCc1ccc(Cl)cc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1,1,0,0,0
Cc1ccc(S(=O)(=O)NC2c3cccc4cccc(c34)C2Sc2n[nH]c(N)n2)cc1,0,0,0,0
CCS(=O)(=O)c1cccc(Oc2cccc(-n3c(C)nc4c(Cl)cccc43)c2)c1,0,0,0,0
Cc1cc(C[C@H]2NC(=O)[C@@H](C)N(C)C(=O)[C@H](C3CC3)NC[C@@H](C)Oc3ccccc3CCCNC2=O)ccc1F,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ccccn3)cc2)c1C,0,0,0,0
COc1ccc(OCc2ccccn2)c(CCCNC(C)=O)c1,0,0,0,0
COCCNC(=O)COc1ccc(OCCNCC(O)COc2ccccc2)cc1,0,0,0,0
O=c1oc2cc(O)ccc2c(O)c1C(c1ccc(C(c2c(O)c3ccc(O)cc3oc2=O)c2c(O)c3ccc(O)cc3oc2=O)cc1)c1c(O)c2ccc(O)cc2oc1=O,0,0,0,0
CC(C)(C)Cn1ccc(C2=C(C(=O)NS(=O)(=O)C3CC3)C(=O)N[C@@](c3ccc(OCCCC(F)(F)F)cc3F)(C(F)(F)F)C2)n1,0,0,0,0
Clc1ccccc1Cn1nnc2c(NCC3CC3)ncnc21,0,0,0,0
C=CCN1C(=O)C2(C(C(=O)OCC)=C(N)Oc3ccccc32)c2c1c1ccccc1oc2=O,0,0,0,0
Cc1cc(CNc2c(C)ccc(OCC(=O)O)c2C)cc(-c2cccc(F)c2)c1,0,0,0,0
COc1ccc(N(Cc2cccs2)C(=O)c2ccc(OC)c(Cl)c2)cc1,0,0,0,0
Nc1nnc(CCOc2ccc(Cl)cc2)s1,0,0,0,0
CCn1c(SCC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)nnc1-c1cccs1,1,0,0,0
COc1ccc(N(CCC2CCN(Cc3ccccc3)CC2)C(C)=O)cc1,0,0,0,0
CC(/C=N/NC(=O)c1cccnc1)=C\c1ccccc1,0,1,0,0
CCCCNC(=O)Cn1cnc2sc(C(=O)OCC)c(C)c2c1=O,0,0,0,0
CCCc1nc(C)c2c(N(C)C)nc3ccc(OC)nc3n12,0,0,0,0
Cc1ccc(C(=O)OCc2nnc(-c3ccc(Br)cc3)o2)cc1,0,0,0,0
COC(=O)[C@@H]1CCCN1C(=O)CCc1nnc(CCc2c[nH]c3ccccc23)o1,0,1,0,0
Cc1cc(-c2ccccc2)nnc1NCCC1CCN(Cc2ccccc2)CC1,0,0,0,0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCC(=O)N3CCC(C(=O)O)CC3)ccc12,0,1,0,0
COc1cccc(C)c1[C@@H]1C[C@H](Cl)C(=O)N1Cc1ccc(OC(F)(F)F)cc1,0,0,0,0
CC(C)CC(Nc1ccc2ccc(C(F)(F)F)cc2n1)c1ccc(C(=O)NCCC(=O)O)cc1,0,0,0,0
C=CC(=O)Nc1cccc(Oc2ncncc2-c2ccc(Oc3ccccc3)cc2)c1,0,0,1,0
Cn1cc(-c2cn3ncc(C(N)=O)c(N[C@H]4CCN(c5ccc(C#N)nn5)CC4(C)C)c3n2)cn1,0,0,0,0
Cc1ccn2nc([C@H](C)Nc3ncnc4sccc34)n(-c3ccccc3)c(=O)c12,0,0,0,0
CS(=O)(=Nc1ccc(-c2ccc(-c3nc4nc(O[C@H]5CO[C@@H]6[C@H]5OC[C@@H]6O)[nH]c4cc3Cl)cc2)cc1)N1CCC1,0,0,0,1
Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)cc1,0,0,0,0
CCC1(O)c2ccccc2-c2ccc(C(=O)NC(=N)N)cc21,0,0,0,0
Cc1cc(/C=C/CNCCC(=O)O)ccc1OCCCCc1ccccc1,0,0,0,0
CC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3nc(N(CCO)C4CC4)ncc3Cl)C2)cc1,0,0,0,0
Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN2CCN(C)C2=O)c1C,0,0,0,0
CCN(CC)CCNC(=O)CSc1nc2nc(C)c(Cc3ccccc3)c(C)n2n1,0,0,0,0
O=C(c1ccc([N+](=O)[O-])cc1)N(CCC1CCN(Cc2ccccc2)CC1)c1ccccc1,0,0,0,0
CCCCCN(C(=O)CCC(=O)OCC(=O)NCc1cccc(OC)c1)c1c(N)n(CCCC)c(=O)[nH]c1=O,1,0,0,0
CN1CCN(Cc2cc3cc(c2)Nc2nccc(n2)-c2cccc(c2)CNC(=O)[C@@H]2CCCN2C3)CC1,0,0,0,0
COc1ccc(-c2cc(=O)oc3c(C)c(OC(C)C(=O)Nc4ccc(CN5CCOCC5)cc4)ccc23)cc1,1,0,0,0
CCNc1ncc2nc(-c3ccccc3)c(=O)n(C)c2n1,0,0,0,0
CC(C)OC(=O)CSc1nc2c(cc1C#N)CCCCC2,0,0,0,0
CC(C)(C#N)C(C)(C)c1nn[nH]n1,0,0,0,0
Cc1ccc(Cn2c(Sc3nnc(C)s3)nc3c2c(=O)[nH]c(=O)n3C)cc1,0,0,0,0
COc1cccc(OC)c1C1CC(C)C(=O)N1Cc1cccc(OCC(F)F)c1,0,0,0,0
CC(=O)Nc1ccc(-c2cc(NC(C)=O)n(-c3ccccc3)n2)cc1,0,0,0,0
CN(C)CCCNc1nc(/C=C/c2ccc(F)c(F)c2)nc2ccccc12,0,0,1,0
CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1ncccn1,1,0,0,0
Cc1ccc(OCCNCCCOc2ccc(Br)cc2)cc1,0,0,0,0
C/C(=N\N1CCCCC1)c1c(O)[nH]c(=O)[nH]c1=O,0,0,0,0
CCc1cccc(-n2nnc(-c3nc(-c4ccccc4Cl)no3)c2N)c1,0,0,0,0
Cn1c(=O)c2c(nc(NCCCN3CCOCC3)n2Cc2ccc(Cl)c(Cl)c2)n(C)c1=O,1,0,0,0
COC(=O)CSc1nc(-c2ccccc2)nc2ccccc12,0,0,0,0
Cc1cc2c(cc1-c1cc(CCC(=O)O)ccc1OC(F)(F)F)N(C)C(=O)CC2(C)C,0,0,0,0
O=C1C(CC[S+]([O-])c2ccccc2)C(=O)N(c2ccccc2)N1c1ccccc1,0,0,0,0
Cn1cnc2cc(-c3cc(NCC(O)CN4CCc5ccccc5C4)n[nH]3)ccc21,0,0,0,0
N=C(N)c1ccc(OC(=O)c2ccc(-c3ccc(C(=O)N[C@@H](CC(=O)O)C(=O)O)cc3)s2)c(F)c1,0,0,0,0
COc1ccc(CCNC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1,1,0,0,0
COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)NCc4ccccc4)c(C)n3n2)c1,1,0,0,0
CCCCCOc1cnc(Cc2cc([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)s1,0,0,0,0
CCN(C)c1ccc(S(=O)(=O)NC)cc1Nc1cc(Nc2ccc(Cl)cc2)ncn1,0,0,0,0
COc1ccc(-c2cc(C(=O)Nc3cccnc3)c3ccccc3n2)cc1OC,1,1,0,0
O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)C1CCCC1,0,1,0,0
Cc1nnc(N2CCOCC2)c2nn(-c3cccc(Cl)c3)c(C)c12,0,0,0,0
COc1ccc(-c2cnc(NCc3ccc(C)cc3)n2C)cc1,0,0,0,0
Cc1cc(CO)cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)c1,0,0,0,0
CCc1nn2c(=O)cc(COC(=O)c3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nc2s1,0,1,0,0
Cc1cccc(-c2n[nH]c(C3CN(Cc4ccc(-c5nc6nc(C7CC7)nn6cc5-c5ccc(F)cc5)cc4)C3)n2)n1,0,0,0,0
Cc1c(Cc2cc(F)ccc2S(=O)(=O)c2ccccc2)c2c(n1CC(=O)O)CCNC2=O,0,0,0,0
COc1cc2c(cc1OC)N(Cc1ccc(F)cc1)CC1C(c3ccc(F)cc3)NNC21,1,0,0,0
O=c1[nH]cnc(O)c1C(c1ccc(Br)cc1)c1c(O)nc[nH]c1=O,0,0,0,0
CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2c(CN(C)C)c1O,0,0,0,0
CCOc1cc(CNCCc2ccc(S(N)(=O)=O)cc2)cc(Cl)c1OCc1ccccc1,0,0,0,0
COc1cc(CCCOC(=O)C2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1,0,0,0,0
CC1(C)CCCC2(C)C3=C(C(=O)OC3O)C(O)CC12,0,0,0,0
CC1CCC(NCc2ccc3c(c2)Cc2c(-c4ccc(C(=O)O)cc4)n[nH]c2-3)CC1,0,0,0,0
CN(C)CCN(C)C1CCN(c2ccc(Nc3ncc4c5ccncc5n(C5CCCC5)c4n3)nn2)CC1,0,0,0,0
O=C(O)CN1C(=O)CN=C(c2ccccn2)c2cc(Cl)ccc21,0,0,0,0
O=S(=O)(c1cccs1)N1CCN(C/C=C/c2ccccc2)CC1,0,0,0,0
O=C(Oc1ccccc1C(=O)Nc1ccccc1)c1ccccc1Br,0,1,0,0
Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1,1,0,0,0
CN(C)CCc1c(-c2ccccc2)[nH]c2ccccc12,0,0,0,0
Nc1cnc(-c2ccc(-c3ccccc3N3CCNC3=O)cc2F)cn1,0,0,0,0
C[n+]1c(-c2ccccc2)cc(-c2ccc(Cl)cc2)cc1-c1ccccc1,0,0,0,0
COc1cc2c(cc1Nc1ncc(Cl)c(Nc3ccc(C(N)=O)cc3OC)n1)CCN(CC(=O)N(C)C)CC2,0,0,0,0
O=C(c1ccc(N2CCCCS2(=O)=O)cc1)N1CCN(c2ccccc2F)CC1,1,0,0,0
CN1C(=O)C(c2ccncc2)(c2cccc(-c3ccoc3)c2)N=C1N,0,0,0,0
CC(C)c1ccc(/C=C/C(=O)NC2=NCCS2)cc1,1,1,0,0
CNC(=O)COc1cc(Br)c2c(c1)C(O)(C(F)(F)F)c1ccccc1-2,0,0,0,0
O=C(c1ccc(F)cc1)N1CCC2(CC1)NCCc1nc[nH]c12,0,0,0,0
Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1,0,0,0,0
COc1ccc(C(C)C)cc1C1=C(CN(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ncc(-c3cnn(C)c3)cn2)CC(C)(C)CC1,0,0,0,0
CCOC(=O)C1(Cc2cccc(Cl)c2)CCCN(C(=O)CCOC)C1,0,0,0,0
Cc1nc2cnccc2nc1-c1cc2nc(N3CCCC3)cc(NC3CCOCC3)n2n1,0,0,0,0
COc1ccc2c(c1)c(CN1CCOCC1)c(C)n2C(=O)c1cccc(Cl)c1Cl,0,0,0,0
COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/NS(=O)(=O)c3ccc(C)cc3)oc12,0,0,0,0
Cc1cn(-c2ccc3n(c2=O)CCN([C@@H](C)[C@@H]2CC[C@H](c4ccc(C(F)(F)F)s4)O2)C3=O)cn1,0,0,0,0
COc1c(OC(C)=O)c(=O)n2c3ccccc3c3ccnc1c32,0,0,0,0
COc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1,0,0,0,0
COC(=O)c1c(-c2ccccc2)noc1C,0,0,0,0
CC(=O)c1ccccc1C(=O)N1CCCC(C(=O)c2ccc(C(F)(F)F)cc2)C1,1,0,0,0
O=S(=O)(NCCC1=CCCCC1)c1ccc(F)cc1,0,0,0,0
CCC1COc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc2N1CC1CC1,0,0,0,0
O=c1cc(/C=C/c2ccccc2)oc2c1ccc1ccccc12,0,0,0,0
COCCNC(=O)CCCN1C(=O)c2ccccc2Sc2ncccc21,0,0,0,0
Cc1cc(C=C2NC(=O)N(Cc3ccccc3F)C2=O)c(C)n1C(C)C,1,0,0,0
CN(C)C(=O)c1ccc(N(Cc2ccn(C)n2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
CN(C)C1CCN(c2ccc(-c3coc4cc(Oc5ccccc5)ccc4c3=O)cn2)C1,0,0,0,0
NS(=O)(=O)c1ccc(CCNc2ccc(C(F)(F)F)cn2)cc1,0,0,0,0
CC(C)Oc1noc2c1CNCCC2,0,0,0,0
CCCCCCC(C)(C)c1ccc(C2CC(O)CCC2CCCO)c(O)c1,1,0,0,0
COc1cc(C=C2C(=O)N(CCC#N)N=C2C)c(Br)cc1OC(C)C,1,0,0,0
N#Cc1cc2c(cn1)[nH]c1ncc(-c3ccccc3O)cc12,0,0,0,0
c1coc(-c2nnc3sc(C4CCCCC4)nn23)c1,0,0,0,0
O=[N+]([O-])c1cccc(NC2=NCC(CBr)S2)c1,0,0,0,0
O=C(CS(=O)(=O)c1ccccc1)c1ccc2c(c1)OCCO2,0,1,0,0
COc1ccc(C(=O)OCC(=O)c2ccc(Br)s2)c(OC)c1,0,0,0,0
Cc1cc(C(=O)CN2C(=O)NC3(CCCc4sccc43)C2=O)c(C)n1-c1ccccc1,1,1,0,0
Cc1csc(C(C#N)N=O)n1,0,0,0,0
Cn1c[n+](Cc2cc(Cl)ccc2OC(F)F)c2ccccc21,0,0,0,0
Cc1cc(N2CCCc3ccccc32)n2ncnc2n1,0,0,0,0
CC(CCc1ccc(O)cc1)OC1OC(COC2OCC(O)(CO)C2O)C(O)C(O)C1O,0,0,0,0
O=C(O)CCCCCC(CNS(=O)(=O)c1ccc(-c2ccc3ccccc3c2)cc1)c1cccnc1,0,0,0,0
COc1ccc(Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)cc1,1,0,0,0
COc1ccc([C@@H]2C[C@@H](c3ccccc3)Oc3cc(OC)c(OC)c(OC)c32)cc1,0,0,0,0
COc1cc2c(Nc3cc(Cl)c(Br)cc3F)ncnc2cc1OC[C@H]1CN2CCOC[C@H]2CO1,0,0,0,1
CCc1nc2sccc2c(=O)n1N,0,0,0,0
Cc1ccc(C(=O)N(CN2CCCC2=O)c2ccccc2)cc1,0,0,0,0
CC(=O)Nc1ccc(N(Cc2ccccc2)C(=O)c2ccc(O)cc2O)cc1,0,0,0,0
COc1ccc(OC)c(NC(=O)c2cccnc2)c1,1,0,0,0
Cc1ccc(S(=O)(=O)N/N=C\c2ccccc2OCc2ccccc2)cc1,0,0,0,0
CCc1ccc(-c2ccc3c(=O)c(-c4ccc(N5CCC(N(C)C)C5)nc4)coc3c2)cc1,0,0,0,0
CCNc1ncc2nc(CCc3ccccc3)c(=O)n(-c3ccc(OC)cc3)c2n1,0,0,0,0
COc1cc(C(F)(F)F)c(-c2ccc(C(=O)O)cc2C)cc1C1=C(CN2C(=O)O[C@H](c3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2C)CC(C)(C)CC1,0,0,0,0
COc1ccc(CCn2cc3c(c2-c2ccc(Br)cc2)c(=O)n(C)c(=O)n3C)cc1OC,0,0,0,0
COc1ccc(CCN=C(C)C2C(=O)OC(c3ccccc3)C2=O)cc1OC,0,0,0,0
Cl.NC(Cc1ccc2nonc2c1)C(=O)O,0,0,0,0
COc1ccc2c(C)cc(N[C@H]3CCC[C@H](NCc4cncc5ccccc45)C3)nc2c1,0,0,0,0
Cc1ccc(COC(=O)c2nn(-c3ccccc3)nc2N)cc1,0,0,0,0
COc1ccc(-c2cc(-c3ccc(Cl)cc3)[nH]c2-c2ccncc2)cc1,0,0,0,0
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(=O)OCOC(=O)[C@@H]1N2C(=O)C[C@H]2S(=O)(=O)C1(C)C,0,0,0,0
C[C@H](Nc1cc(-c2ccoc2)nc(-n2cnc3ccncc32)n1)c1ccc(F)cc1,0,0,0,0
O=C1N(Cc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(=O)C12CCCC2,0,0,0,0
CCn1c(CNc2ccccc2)nnc1SCc1nc2cc(C(=O)C(C)C)ccc2o1,0,0,0,0
COc1ccccc1-n1nc(OC2CCN(S(=O)(=O)C(C)C)CC2)cc1-c1ccc(Cl)cc1,0,0,0,1
CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCC(=O)O)c(Cl)c1Cl,0,0,0,0
CCOc1cc2ncc(C(N)=O)c(Nc3cccc(Cl)c3Cl)c2cc1N1CCN(C)CC1,0,0,0,0
O=C(Nc1ccc(Cl)cc1)Nc1ccccn1,0,1,0,0
O=c1cc(CN2CCCCC2)[nH]c(C2CC2)n1,0,0,0,0
COc1ccc(-c2nc(SCc3ccccc3)n(C(=O)c3ccco3)n2)cc1,1,0,0,0
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1C,1,0,0,0
CCN(CC)C(=O)Oc1ccc2c(c1)OC(=Cc1ccco1)C2=O,0,0,0,0
Brc1cc2c(cc1-c1nc3ccccc3s1)OCO2,0,1,0,0
CC1(C)CC(=O)C(C(C#Cc2ccccc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1,0,0,0,0
COc1ncc(N2CCc3ncnc(O[C@H]4CCN(C(=O)c5ccoc5)C4)c3C2)cc1C,0,0,0,0
CC(C)Sc1nc2cc(N3CCN(CCO)CC3)c(Cl)cc2[nH]1,0,0,0,0
CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC(=O)c1ccc2c(c1)NC(=O)CO2,0,0,0,0
O=C(c1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1)N1CCN(Cc2ccccc2)CC1,1,0,0,0
CC(C)C1(C)SC(=N[C@@H](C)c2cccc(C(F)(F)F)c2)NC1=O,0,0,0,0
CC(=O)c1ccc(N2CCN(Cc3nc(Cc4ccccc4)no3)CC2)cc1,1,0,0,0
O=c1sc(Nc2ccccc2)nc2ccsc12,0,1,0,0
COc1ccc(Oc2c(Cl)cnn(-c3ccc(F)cc3)c2=O)cc1,0,0,0,0
CC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(S(C)(=O)=O)cc3)cc2)N(O)C=O)C1=O,0,0,0,0
CCCn1c(N)c(N(CCOC)C(=O)COC(=O)CSc2cc(C)c3ccccc3n2)c(=O)[nH]c1=O,1,0,0,0
O=C(c1nn(C2CN(CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1ccccc1-2)N1CCOCC1,0,0,0,1
c1ccc(CN2CCC(CCNc3ccc(-c4ccccc4)nn3)CC2)cc1,0,0,0,0
COc1nc(C)c(C(=O)N2CCC(C)(N3CCN([C@@H](C)c4ccc(C(F)(F)F)cc4)[C@@H](C)C3)CC2)c(C)n1,0,0,0,0
CC1(C)Cc2c(C#N)c(OCC(=O)c3ccc(Cl)cc3)nc(-c3ccoc3)c2CO1,1,0,0,0
CC(C)Cc1ccc(C(=O)NCCS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1,0,0,1,0
Cn1cc(CN2CCN(C(=O)OC(C(F)(F)F)C(F)(F)F)CC2)c(-c2ccccc2Cl)n1,0,0,1,0
CCN1C(=C2C(=O)N(C)C(=S)N2C)C=Cc2cc(OC)ccc21,0,0,0,0
COc1ccccc1CN1C[C@@H]2C[C@@H](c3cccc(C)c3)N3CCC[C@@]23C1=O,0,0,0,0
COCCOc1cccc2c(NCc3ccccc3)nc(-n3c(C)nc4ccccc43)nc12,0,0,0,0
CCOc1cc(/C=N/NC(=O)c2cc(C)[nH]n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1,0,0,0,0
CC(=O)NCc1cccc(OCC(O)CNCCc2ccc(NS(=O)(=O)c3ccccc3)cc2)c1,0,0,0,0
CC(C)CC(=O)Nc1ccccc1N1CCCC1,0,0,0,0
Cc1sc2nc(SCC(=O)NCCOCCO)n(C)c(=O)c2c1C,0,0,0,0
C=CC(=O)Nc1ccccc1Nc1ccc2c(C#Cc3cc(OC)cc(OC)c3)c[nH]c2n1,0,0,1,0
CC1CC(Nc2ccccc2)c2ccccc2N1C(=O)c1ccccc1F,0,0,0,0
Cc1cc[n+](-c2[nH]c(=O)sc2C=NNC(=S)Nc2ccccc2)cc1C,0,0,0,0
O=C(NCCO)c1cccc(-c2cccc3cc(Cc4cccc(C(F)(F)F)c4)oc23)c1,0,0,0,0
N#Cc1ccc(Cn2cncc2CNC2C(=O)N(c3ccccc3)CCc3ccccc32)cc1,0,0,0,0
O=C(O)c1ccccc1C=NNC(=S)NCc1ccccc1,0,0,0,0
OCC[C@H]1CN(CCc2ccccc2)CCN1Cc1ccccc1,0,0,0,0
c1ccc(CCNc2nc3ccccc3s2)cc1,0,1,0,0
Cc1cc(C(=O)N/N=C/c2cccc3ccccc23)c(C)o1,0,1,0,0
C=C(C)C(=O)Nc1cc(-c2ncnc3[nH]cc(C(=O)OCC)c23)ccc1CN(C)C,0,0,0,0
O=S(=O)(Nc1ccc(-c2nnc(SCc3ccc(Cl)cc3)o2)cc1)c1ccccc1,1,0,0,0
COc1ccc(-c2cc(C=O)c(O)c([N+](=O)[O-])c2)cn1,0,0,0,0
CCc1ccccc1NC(=O)CN1CCN(C(=O)COc2ccccc2C#N)CC1,1,0,0,0
O=c1nc(O)c(=S)[nH][nH]1,0,0,0,0
Nc1nc(C2CCCO2)nc2c1nnn2CC1CCCCO1,0,0,0,0
CC(C)c1nnc(NC(=O)C2CCN(c3nc4ccccc4s3)CC2)s1,1,0,0,0
CCC1(CCCCN2CCN(c3cccc(Cl)c3)CC2)C(=O)Nc2ccc(F)cc21,0,0,0,0
Cc1ccc(-c2csc3[nH]c(CN(C)Cc4ccccc4)nc(=O)c23)cc1,0,0,0,0
CCCCNC(=O)CSc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1,0,0,0,0
CCCc1ncc(CN2CCCC(C(=O)Nc3ccc(-c4cccc(OC)c4)cc3)C2)cn1,1,0,0,0
COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1OC,0,0,0,0
CC(=O)NS(=O)(=O)[C@@H]1C2CCC(CC2)[C@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F,0,0,0,0
Cc1ccc(-c2cc(-c3ccccc3)no2)c(O)c1,1,1,0,0
CN(C)CCNc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1,0,0,0,0
Cc1ncc(CC(=O)n2cc(C(=O)c3cc(F)ccc3O)cn2)s1,0,0,0,0
COc1ccc(-c2csc3ncnc(N4CCN(S(=O)(=O)c5cccc(Br)c5)CC4)c23)cc1,0,0,0,0
CN(C)CCCNCc1ccc2nc3ccc4cc5cc(CNCCCN(C)C)ccc5nc4c3cc2c1,0,0,0,0
COc1ccc(S(=O)(=O)NCCc2cn3ccsc3n2)cc1OC,0,0,0,0
Cn1c(-c2ccc(F)cc2)cnc1NCc1cccc([N+](=O)[O-])c1,0,0,0,0
CC1CN=C(NCc2ccncc2)S1,0,0,0,0
CCC(=O)c1cnc2ccc(-c3cc(Cl)c(O)c(Cl)c3)cc2c1NC1CCC(CN(C)C)CC1,0,0,0,0
CC(=O)NC1C(OC2OC(CC(O)C3OC([N+]4=CCC(=O)NC4=O)C(O)C3O)C(O)C(O)C2NC(=O)/C=C/CCCCCCCCC(C)C)OC(CO)C(O)C1O,0,0,0,0
CCCN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2C1c1ccc(O)c(OCC)c1,0,0,0,0
COc1ccc(C2C(C(C)=O)=C(O)C(=O)N2c2cccnc2)cc1OC,0,0,0,0
O=S(=O)(Nc1cc(F)ccc1F)c1cccc2nonc12,0,0,0,0
Cc1ccc(-c2csc3nc(SCC(=O)N(C)C)n(Cc4ccccc4)c(=O)c23)cc1,1,0,0,0
COc1ccc(C(=O)/C=C/c2ccc3c(c2)OCCO3)cc1,0,1,0,0
Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3C)cc2)c2ccc(O)cc12,0,0,0,0
O=C(NN=Cc1c[nH]c2ccccc12)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1,1,0,0,0
FC(F)(F)c1ccc(N2CCN(c3cc(-c4ccccc4)nc4ncnn34)CC2)nc1,1,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3ccc(OC)cc3)c3ccc(OC)cc23)C1,0,0,0,0
CC(=O)c1ccc(-n2cc(-c3ccc(C(C)(C)C)cc3)[n+]3c2SCCC3)cc1,0,0,0,0
CC(c1ccncc1)C(C)c1ccncc1,0,0,0,0
COCCOc1cc2ncnc(NC3=CC(=O)C(Oc4ccccc4)=CC3=O)c2cc1OC,0,0,1,0
CC(C)Nc1nc(-c2ccc(CCN3CCOCC3)cc2)cc2ncn(C)c(=O)c12,0,0,0,0
CCN(CC)S(=O)(=O)c1cccc(-c2n[nH]c(=S)n2CC(C)C)c1,0,0,0,0
CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OC)cc1O,0,0,0,0
Cc1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)N[C@H](/C=C(\C#N)C(=O)N(C)C)C[C@@H]2CCCNC2=O)no1,0,0,1,0
O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1cccc([N+](=O)[O-])c1,0,0,0,0
CC(=O)N(C)c1nnc(-c2cnccn2)s1,0,0,0,0
Cc1ccc(N(CC(=O)N2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1,1,0,0,0
COc1ccc(-c2ccc(C3C4C=CCCC4(C)C(=O)N3Cc3ccccc3)c(F)c2)cc1,0,0,0,0
NNC(=O)CC1=NNC(=O)C1,0,0,0,0
COc1cccc(-c2cccc(OCC(O)CN3CCc4ccccc4C3)c2)c1,0,0,0,0
Oc1cccc2c3c(ccc12)CCNC3,0,0,0,0
CCCC(=O)Nc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3cc(OCCN4CCN(C)CC4)c(OC)cc3n2)c1,0,0,0,0
CCOP(=O)(c1ccccc1)C(O)c1ccc(F)cc1,0,0,0,0
CN1C(=O)C(=Cc2cn(CC(=O)N3CCCCC3)c3ccccc23)c2ccccc21,1,0,0,0
Cc1ncoc1C(=O)Nc1ncc([N+](=O)[O-])s1,0,1,0,0
NC1CN(c2ccc3n[nH]c(S(=O)(=O)c4cccc5ccccc45)c3c2)C1,0,0,0,0
Cn1c(=O)[nH]c2ncccc21,0,0,0,0
COc1ccc(-c2nc(Nc3cccc(Cl)c3)nc3nc[nH]c23)cc1OC,0,0,0,0
Cc1ccccc1CC(=O)N1CCCC(CCC(=O)N2CCN(c3ccccn3)CC2)C1,1,0,0,0
Cc1oc(-c2cccc3ccccc23)nc1CN1CCC[C@H]1CO,0,0,0,0
CCOC(=O)c1c(-c2ccccc2)n(C)c2ccc(O)cc12,0,0,0,0
Cc1cc2ncc(S(=O)(=O)c3ccccc3)c(N)n2n1,0,0,0,0
O=C1C(c2ccccc2)=COC12CCN(CC1CCCCC1)CC2,0,0,0,0
CC1Cc2nn(C)c(Cc3ccccc3Cl)c2-c2nc(Nc3cnn(C4CCNCC4)c3)ncc21,0,0,0,0
Cn1c(=O)cc(C(=O)N/N=C/c2ccc(Cl)cc2)[nH]c1=O,0,1,0,0
CCOc1ccc(N2C(=O)NC(=O)C(=NNc3c(C)n(C)n(-c4ccccc4)c3=O)C2=O)cc1,0,0,0,0
CCc1ccc([C@H]2O[C@@H](COC(=O)OCC3CC4CCC3C4)[C@H](O)[C@@H](O)[C@@H]2O)cc1Cc1ccc2c(c1)OCCO2,0,0,0,0
CCN1C(=C(C#N)N=O)Nc2ccccc21,1,0,0,0
Cc1c(CCC(=O)NCCc2ccccc2F)c(=O)oc2cc(O)ccc12,1,0,0,0
O=C(C1CC1)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cccc2)CC1,1,0,0,0
CCOC(=O)C(C)n1nc(C=Cc2ccccc2)ccc1=O,0,0,0,0
COc1cc(C(=O)N2CCN(C(=O)c3cc(-c4ccccc4)n[nH]3)CC2)cc(OC)c1OC,1,0,0,0
CN(C)CCNc1nc(-c2ccco2)c2c(c1C#N)CC(C)(C)OC2,0,0,0,0
CCN1CCC(c2ccccc2)=C(C(=O)Oc2ccccc2)C1,0,0,0,0
O=C(O)Cn1cc(C(=S)N2CCCCC2)c2ccccc21,0,0,0,0
NC[C@H]1CN(Cc2ccccc2)C(=O)C[C@@H]1c1cc(F)ccc1F,0,0,0,0
COc1ccc2cc(-c3cncc4ccccc34)ccc2c1,0,0,0,0
c1cc(-c2nc(CN3CCCCC3)co2)ccc1OC1CC(N2CCCCC2)C1,0,0,0,0
COC(=O)N[C@H]1CCC[C@@H]1[C@](C#N)(c1cccc(F)c1)C1CCN(CC2CN(c3ccc(S(=O)(=O)C4CN(C(=O)/C=C/CN(C)C)C4)cc3)C2)CC1,0,0,1,0
CN1C(=O)N(c2cccc(C(F)(F)F)c2)C2=C(C(=O)CC2)C1c1ccc(C#N)cc1C(=O)NC1CC[C@H](N(C)C)C1,0,0,0,0
CCCCOc1ccc(S(=O)(=O)N2C/C(=N\OCC)C[C@@H]2C(=O)NO)cc1,0,0,0,1
Cc1cc(C)c(C(=O)N2CCCC(CNS(=O)(=O)N(C)C)C2)o1,0,0,0,0
Cn1nccc1-c1cccc(Cn2c(CC(C)(C)C(=O)O)nc3cc(OCc4ccc5ccccc5n4)ccc32)c1,0,0,0,0
O=C(O)c1ccc(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1,0,1,0,0
c1cnc(C2CN(c3ccc4ccccc4n3)C2)c(N2CCCCC2)c1,0,0,0,0
CC(C)N(C)Cc1ccc2c3c(c(=O)[nH]c2c1)CCCN3,0,0,0,0
O=C1C2C3C=CC(C3)C2C(=O)N1c1nnc(-c2ccccc2)[nH]1,0,0,0,0
CCOC(=O)C1CCCN(CCC(=O)Nc2cccc(C)c2)C1.Cl,0,1,0,0
Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1Oc1ccccc1,0,0,0,0
COc1cccc2[nH]c(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)N[C@H](C#N)C[C@@H]3CCNC3=O)cc12,0,0,1,0
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3C)CC2)cc1OC,1,0,0,0
COCCN1C(=O)c2ccccc2C(C(=O)NCCN(C)C)C1c1ccc(F)cc1,0,0,0,0
COCC(C)n1c(C)cc(C(=O)CSc2nnnn2C2CCCC2)c1C,0,1,0,0
O=S(=O)(Nc1ncns1)c1ccc2c(-c3ccc(Cl)cc3)cccc2c1,0,0,0,0
CC(=O)N1CCc2c(c(Nc3cccc(C(=O)NC(C)C)c3)nn2CC2CC2)C1,0,0,0,0
COc1cccc(Cn2c(=O)n(-c3ccc(Br)cc3F)c(=O)c3sc4ccccc4c32)c1,1,0,0,0
O=C(O)c1ccc2cc(-c3ccc(O)c(C45CC6CC(CC(C6)C4)C5)c3)ccc2c1,1,0,0,0
CCOC(=O)c1c(-c2cccc(N)c2)cn2ccccc12,0,0,0,0
Fc1cccc(-n2c(-c3ccco3)nc3nc4ccccc4nc32)c1,0,0,0,0
CNC(=O)c1c(-c2cccc(N3CCN(c4ccc(NS(=O)(=O)c5ccc(N[C@H](CCN(C)C)CSc6ccccc6)c([N+](=O)[O-])c5)cc4)CC3)c2)c(-c2ccc(Cl)cc2)cn1C,0,0,0,0
CCCCOCCCN1CC(=O)N2C(Cc3c([nH]c4ccccc34)C2(C)C)C1=O,1,0,0,0
Cn1c(CN2CCOCC2)nnc1SCc1ccccc1,0,0,0,0
CS(=O)(=O)N(Cc1ccccc1F)c1ccccc1,0,0,0,0
O=C1CC(C(F)(F)C(F)(F)C(F)(F)C(F)F)=Nc2ccccc2N1,0,0,0,0
Cc1cn(-c2cc(NC(=O)c3ccc(C)c(Nc4nccc(-c5cnccn5)n4)c3)cc(C(F)(F)F)c2)cn1,0,0,0,0
CC(c1cnc(C(F)(F)F)nc1)N1CCc2cc(S(=O)(=O)Nc3ccc(CCCC4CCCC4)cc3F)ccc2C1,0,0,0,0
c1cc(-c2ccc(Oc3ccc(OC[C@@H]4CCCCN4)cc3)cc2)cs1,0,0,0,0
CC(C)c1ccc(NC(=O)c2cn(C3CCCCC3)c(=O)c3c2c2ccccc2n3C)cc1,1,0,0,0
CCOc1nc2ccccc2nc1N1CCN(C)CC1,0,0,0,0
Cc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1,0,0,0,0
CC1CN(S(=O)(=O)c2ccc(C(=O)Nc3nc(-c4cc5ccccc5o4)cs3)cc2)CC(C)O1,1,0,0,0
COc1ccc(CN(C)C(=O)C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)c(OC)c1,1,0,0,0
C[C@@H]1CCCN1CCc1cc2cc(CNc3ncc([N+](=O)[O-])cc3[N+](=O)[O-])ccc2o1,0,0,0,0
C[C@]12C[C@H](c3ccc(OCCCCCS(=O)(=O)C(F)(F)C(F)(F)F)cc3)[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,0,0,0,0
COc1ccccc1C(=O)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1,1,0,0,0
CCCCNC(=O)CSc1nc2ccc(Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2s1,1,0,0,0
CN1CC(C(=O)Nc2ccc(F)c(Cl)c2)CC1=O,0,0,0,0
NC(=O)c1ccc(F)c2c1CC(N(CCCCn1ccc3c(F)cccc31)C1CCC1)CO2,0,0,0,0
Cc1cccc(C)c1N1CC(=O)N(c2c(C)cccc2C)CC1=O,0,0,0,0
CCCCOc1c(C(=O)c2cccc(C)c2)cnc2n[nH]cc12,0,0,0,0
N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCC1P(=O)(Oc1ccccc1)Oc1ccccc1,0,0,1,0
COC(=O)C(C)Sc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4,1,0,0,0
CC(NC(=O)COc1ccc(-c2ccccc2)cc1)C1CCCO1,1,0,0,0
CC(C)(C)OC(=O)N1CCN(C(=S)SCc2cn(Cc3cc(=O)oc4c(O)c(O)ccc34)nn2)CC1,0,0,0,0
Cn1sc(NC(=O)c2cccc(Cl)c2)nc1=O,0,1,0,0
Cc1nc2c(C(=O)Nc3ccc(N4CCCC(O)C4)cc3)snc2c(=O)[nH]1,0,1,0,0
COc1ccc(-c2nn(-c3ccccc3)cc2C=NNC(=S)NC(C)C)cc1OC,0,0,0,0
O=C1OCCc2cc([C@@H]3CN4CCN(C(=O)Cc5ccc(-n6cnnn6)nc5)C[C@H]4CO3)ccc21,0,0,0,0
Cc1cc(Nc2cc(C(F)(F)F)ccn2)nc(-c2ccc(NC3CCN(C(=O)c4cccnc4)CC3)nc2)c1,0,0,0,0
CC(C)(C)CC(C)(C)c1ccc(O)c(CN2CCN(CCC#N)CC2)c1,0,0,0,0
Cc1c(C(=O)NCCCN2CCOCC2)sc2nc(-c3ccccc3)cn12,1,0,0,0
Cc1ccc(SCc2cc(=O)nc(N3CCOCC3)[nH]2)cc1,0,0,0,0
COc1ccccc1COCC(O)CN(Cc1ccco1)Cc1ccccc1O,0,0,0,0
C=C(C)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OC)c23)c1,0,0,0,0
COc1nccc(-c2c[nH]c3ccc(-c4nnc(NC(C)C)o4)cc23)n1,0,0,0,0
Cc1cc(NCc2ccc(F)cc2)nc2cc(Cl)ccc12,0,0,0,0
C[C@@H]1CNC[C@H](C)N1C(=O)OCc1ccccc1,0,0,0,0
CC(=O)N1CCC(n2nc(C)c(Nc3ncc(Cl)c(-c4cnc5ccccn45)n3)c2C)CC1,0,0,0,0
C[C@H]1c2c([nH]c3ccc(C(F)(F)F)cc23)C[C@H]2CCN(CCCCC3CCOCC3)C[C@@H]21,0,0,0,0
c1ccc2c(c1)nnn1c3ccccc3nc21,0,1,0,0
Cc1cc(C)n(-c2nnc(NC(C)(C)C)nn2)n1,0,1,0,0
Cc1ccc2c(c1)-c1c(cnn1CC(=O)NC(C)CCc1ccco1)CO2,1,0,0,0
CNc1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(Br)cc3)c12,0,0,0,0
Cn1cc2c3c(cccc31)C(=O)N([C@H]1CN3CCC1CC3)CC2,0,0,0,0
COc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(c3ccc(OC)c(OC)c3)C2)cc1,0,0,0,0
c1ccc(C2=NCC(c3ccccc3)(c3ccccc3)N2)cc1,0,0,0,0
O=C(O)CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S,0,1,0,0
O=C(O)CCc1ccc(OCc2ccc(Cl)cc2-c2ccccc2)cc1,0,0,0,0
CCn1cc(C(=O)N2CCn3c(nc4ccccc43)C2)c(=O)c2ccc(C)nc21,0,0,0,0
COc1ccc(C(=O)Oc2cc(N)n(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1,0,0,1,0
O=C(OCC#CCSc1nnc(-c2ccc(Br)cc2)o1)c1ccco1,0,0,0,0
O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,1,0,0,0
Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cn3c2C)n1,1,0,0,0
Cn1c(=S)n(N=Cc2ccc3c(c2)OCO3)c2ccccc21,0,0,0,0
O=C(c1ccccc1)c1cccc(C(=O)c2ccccc2)c1,0,0,0,0
O=C(O)c1cc(NCc2cc(O)ccc2O)ccc1O,0,0,0,0
O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CCC2,0,1,0,0
Cc1cc2n(n1)CCC(=O)N2Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1,1,0,0,0
Cc1ccccc1/C=N/N1C(=O)CSC1=S,0,0,0,0
Cc1ccc(C2/C(=C(/O)c3ccc(Cl)cc3)C(=O)C(=O)N2CC2CCCO2)o1,0,0,0,0
COc1ccc(-n2ncc(C(=O)N3CCN(c4cc(C)ccc4C)CC3)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,0,0,0,0
CCc1ccc(C2OCc3ccc([C@H]4O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc32)cc1,0,0,0,0
CC(C)OCCCNc1ncc2c(n1)CC(c1cccs1)CC2=O,0,0,0,0
O=C(c1ccc(OCC2CCCO2)cc1)N1CCN(c2ccccc2)CC1,0,0,0,0
Clc1ncccc1CN[C@H]1CC1c1ccccc1,0,0,0,0
Cc1cc(=O)[nH]c(N/N=C/c2cccc([N+](=O)[O-])c2)n1,0,0,0,0
CCCCN1C(=O)NC(NS(=O)(=O)c2ccc(N)cc2)(C(F)(F)F)C1=O,0,0,0,0
C=c1/c(=C2/N=C(N)N=C(Nc3ccccc3)N2)oc2ccccc12,1,0,0,0
CCc1cc(CNC(=O)c2ccc3nc(Cc4ccc(OC)c(OC)c4)oc3c2)on1,1,0,0,0
CCN(CC)CCCNC(=O)c1ccc(Nc2ncc(C)c(Nc3cc(C4CC4)[nH]n3)n2)cc1,0,0,0,0
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CC(=O)NCCCC[C@H](C(N)=O)NC(=O)[C@@H]2CSCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cnc[nH]2)NC1=O,0,0,0,0
CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2ccccc2)C3)cc1,0,0,0,0
Cn1cc2c(n1)CCc1c-2c2c(c3c4cc(C5CCCCO5)ccc4n(CC4CCCCC4)c13)CNC2=O,0,0,0,0
Cn1c(SCc2cnc(-c3ccccc3)s2)nnc1C1COc2ccccc2O1,1,0,0,0
CCC(=O)N[C@@H](C)c1ccc(O[C@@H]2CCN(c3ccc(OC4CC4)cc3C)C2)cc1,0,0,0,0
O=C1C(=O)N(c2ccc(O)cc2)C(c2ccccc2[N+](=O)[O-])C1=C(O)c1ccccc1,0,0,0,0
CCN1CC(Cl)=C(c2cn(S(=O)(=O)c3cccc(Cl)c3)c3ccccc23)C1,0,0,0,0
CCc1noc(C)c1C(=O)Nc1nc(-c2ccccc2)cs1,0,1,0,0
CC/C(O)=C(\C#N)C(=O)Nc1ccc(-c2ccc(F)nc2)c(C(=O)OC)c1,0,0,0,0
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)C(CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)nc(C)n1,1,0,0,0
OC[C@H]1O[C@@H](c2cc(Cc3ncc(-c4ccco4)s3)c(Cl)cc2OCCn2cncn2)[C@H](O)[C@@H](O)[C@@H]1O,0,0,0,0
Cc1cccc(-c2onc3ccc(C(=O)C=CN(C)C)cc23)c1,0,0,0,0
COc1ncccc1CNc1ccc(Cc2c[nH]c3ncc(C)cc23)c(F)n1,0,0,0,0
COc1cc(OCc2csc(C3CCOCC3)n2)c2cc(-c3cn4nc(C)ccc4n3)oc2c1,0,0,0,0
Cc1onc(-c2c(F)cccc2Cl)c1C(N)=S,0,0,0,0
Cc1ccc(CC(=O)NN=Cc2ccc(OC(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1,1,0,0,0
COc1ccc(CCNc2nc(C)c(C(C)=O)s2)cc1OC,0,0,0,0
O=c1cc(-c2ccnc(NC3CCOCC3)n2)ccn1C(c1ccc(Cl)c(F)c1)[C@@H]1CCCN1,0,0,0,0
CC(C)c1noc(C2CCN(c3ncnc4c3cnn4-c3ccc(S(C)(=O)=O)cc3)CC2)n1,0,0,0,0
COc1ccc(S(=O)(=O)c2c(Nc3c(C)cccc3C)sc(C(=O)c3ccc4c(c3)OCO4)c2N)cc1,1,0,0,0
COc1ccc(C2CC3(CC(C)(C)NC(=O)N3)Oc3cc(O)ccc32)cc1,0,0,0,0
CCc1nc(C)c2c(SC)nc3ccc(OC)nc3n12,0,0,0,0
Cc1ccc(CNc2ccc(N3CCOCC3)cc2)cc1,0,1,0,0
FC(F)(F)c1cccc(-c2nnnn2Cc2cccnc2)c1Cl,0,0,0,0
CN1CCN(CCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC1,1,0,0,0
OC1(c2ccccc2)CCN(C(c2ccccc2)c2cccc(Cl)c2)CC1,0,0,0,0
CCCCn1c(SCC(N)=O)nc2sc3c(c2c1=O)CCC3,0,0,0,0
O=C(O)c1ccc(CN(CC2CC2)C(=O)c2ccc(Oc3c(F)cccc3Cl)cc2)cc1,0,0,0,0
COc1cc(C2CC(=O)N(Cc3ccc(F)cc3)c3ccccc3S2)cc(OC)c1OC,1,0,0,0
Cc1ccc(-c2noc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1,0,0,0,0
c1nc(N2CCOCC2)c2sc3nc(N4CCOCC4)c4c(c3c2n1)CCCC4,1,0,0,0
CCn1ncc(N2CCOCC2)c(Cl)c1=O,0,0,0,0
NC(=O)c1sc(-c2ccnc(N)n2)nc1-c1ccc(Cl)cc1Cl,0,0,0,1
CC1(c2ccccc2)CC(C)(C)N2C(=O)C(=O)c3cccc1c32,0,0,0,0
CNc1ccccc1C(=O)OCC(=O)c1ccccc1,0,1,0,0
Cc1[nH]c2ccccc2c1C(=O)CSC(=S)N(C)C1CCCCC1,1,1,0,0
Cn1ccc(-c2csc([C@@H]3CCCN3C(=O)OC3C4CC5CC3CC(C(N)=O)(C5)C4)n2)cc1=O,0,0,0,0
OCCNc1nc(-c2ccco2)c2sccc2n1,0,0,0,0
NS(=O)(=O)c1ccc2nc(-c3ccc(Sc4ccc(F)c(Cl)c4)cc3)[nH]c2c1,0,0,0,0
Cc1nc(-c2ccccc2F)c2c(N3CCc4nc(C5CC5)n(C)c(=O)c4C3)ncnn12,0,0,0,0
COC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O,0,0,0,0
Cc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12,0,0,0,0
Cc1ccc(C(=O)N2CCC3(CC2)NCCc2nc[nH]c23)cc1,0,0,0,0
O=C1c2ccccc2C(=O)N1CCCCCCc1ccccc1,0,0,0,0
CN(C)CCCNc1nc(-c2ccc(Cl)cc2)nc2ccccc12,0,0,0,0
Cc1[nH]c2ccccc2c1C1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21,1,0,0,0
Cc1nc2ccccc2c(=O)n1CCc1ccccc1,0,0,0,0
Cn1c(C=Cc2ccc(Br)cc2)c([N+](=O)[O-])c(=O)n(C)c1=O,0,0,0,0
Cc1ccc(Cl)cc1NC(=O)C1CCN(c2nc3ccccc3n3cccc23)CC1,1,0,0,0
C[C@@H](NC(=O)c1cccc(-c2ccc3c(c2)sc2c(N)ncnc23)c1)C(N)=O,0,0,0,0
C[C@](O)(c1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1)C(F)(F)F,0,0,0,0
COc1ccc(-c2nnn(Cc3nc(N)nc(N4CCCCC4)n3)n2)cc1,0,0,0,0
Cc1nc2cc3c(cc2n1C)C1CNCC3C1,0,0,0,0
CCN(CC)C(=O)C(=O)c1ccn(-c2c(C)csc2C(=O)OC)c1,0,0,0,0
Cc1cc(C)c2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCCC4)cc3)coc2c1,1,0,0,0
COc1cccc(OCc2cc(C(=O)NCc3ccccn3)no2)c1,0,1,0,0
CCOC(=O)CCc1ccc(-c2cc(C)cc(Nc3nccc(C)n3)c2)cc1,0,0,0,0
CCCSC1=NC(=Cc2ccsc2)C(=O)N1c1ccccc1,0,0,0,0
CCOC(=O)C1C(c2cccs2)NC(=O)NC1(O)C(F)(F)F,0,0,0,0
CCC(C)C(NC(=O)CCn1nnc2ccccc2c1=O)C(=O)O,0,0,0,0
CC(=O)O[C@@H](C(C)CC[C@]12O[C@H](C(=O)O)[C@@](O)(C(=O)O)[C@](C(=O)O)(O1)[C@H](O)[C@H]2O)[C@@H](C)Cc1ccccc1,0,0,0,0
COc1cc(OC)cc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)c1,0,0,0,0
N=C(N/N=C/c1ccnc2ccccc12)SC1CC(=O)N(c2ccc(Br)cc2)C1=O,1,0,0,0
Cc1cc(-c2c(-c3ccc(O)cc3)c3cc(Cl)ccc3[nH]c2=O)on1,0,0,0,0
O=C(Cc1ccccc1)c1nc2ccccc2s1,0,1,0,0
CN1[C@@H]2CC[C@H]1CC(CC(C(N)=O)(c1ccccc1)c1ccccc1)C2,0,0,0,0
COc1cc(CN(CC(C)=O)C(C)c2ccc3c(c2)CCO3)ccc1OCCN1C(=O)CCC1=O,0,0,0,0
COCCNC(=S)N1CCN(Cc2ccc3c(c2)OCO3)CC1,0,0,0,0
CC(C)(C)C1CCC2(CC1)SCC(=O)N2c1ccccc1,0,0,0,0
COc1ccc(OC)c2sc(N3CCc4ccccc4C3)nc12,0,1,0,0
Cc1c(C)c2cc(Cl)c(O)c(CN3CCN(C)CC3)c2oc1=O,0,0,0,0
CC(C)c1ccc(C2N3CC4([N+](=O)[O-])CN2CC([N+](=O)[O-])(C3)C4(C)C)cc1,1,0,0,0
CC[C@@H](Nc1c(Nc2cccc(C(N)=O)c2O)c(=O)c1=O)c1ccccc1,0,0,0,0
CC1(C)CC(=O)C(C=NCCc2ccc(O)cc2)=C(O)C1,0,0,0,0
CCNC(=O)c1noc(-c2cc(Cl)c(O)cc2O)c1-c1ccc(CN2CCN(C)CC2)cc1,0,0,0,0
CCCN1CCN(c2cc(-c3n[nH]c4cc(F)c(OC(C)C)cc34)ncn2)CC1=O,0,0,0,0
CC(=O)C(C(C)=O)=C(N)N1CCN(Cc2ccccc2)CC1,0,0,0,0
CCNc1nnc(-c2ccncc2)s1,0,0,0,0
Cc1cccc2c1NC(=O)C2N=O,0,0,0,0
CC(C)c1nc2c(c3c1[C@@H](c1ccc(C(F)(F)F)cc1)OC3(C)C)[C@@H](O)CC(C)(C)C2,0,0,0,0
Cc1ccc2c(c1)NC(=O)C1(C)C(c3ccccc3)C3COc4ccccc4C3N1C2=O,0,0,0,0
COc1ccc(-c2cnc(N3Cc4c([nH]c5ccccc5c4=O)C3c3ccc4c(c3)CCC4)nc2)cc1OC,0,0,0,0
C=C1C(=O)OC2CC(C)=C(C(C)CCCOC3OC(CO)C(O)C(O)C3O)C(O)C12,0,0,1,0
CCOc1ccc2c(c1Cl)C(=O)N(Cc1c(C)cc(C)[nH]c1=O)CC2,0,0,0,0
Cc1c(C2OC(=O)C3(CCCCC3)C(=O)C2(C)C)c(=O)n(-c2ccccc2)n1C,0,0,0,0
COc1ccccc1N1CCN(C(=O)c2cnn(-c3ccc(C)c(C)c3)c2C2CCN(C(=O)OC(C)(C)C)CC2)CC1,1,0,0,0
COP(=O)(OC)C(Nc1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1,0,0,0,0
NC(N)=NC(=O)[C@H]1C[C@@H]1c1cccc2c1CCO2,0,0,0,0
C/C=C/C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CCC1(CC)N=C(c2ccccc2)C(=S)N1,0,0,0,0
c1ccc(Cn2nnnc2CN2CCN(c3ncccn3)CC2)cc1,1,0,0,0
COC(=O)c1ccccc1NC(=O)C1CCN(S(C)(=O)=O)CC1,1,0,0,0
CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)NCCCN4CCCCC4)CC3)s2)cc1,1,0,0,0
Cc1c(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cccc1-c1nc2cc(Cl)ccc2o1,1,0,0,0
CCC1=C/C(=C/N(C)c2ccccc2)C(=O)S1,0,0,0,0
C=CC(=O)Nc1ccc(-c2ccc(NC(=O)Nc3ccc(CN4CCCC4)c(C(F)(F)F)c3)c(C)c2)cn1,0,0,1,0
Cc1cccc(C)c1-c1nc2c(c(N3CCCC(O)C3)n1)CN(c1cc(C(C)C)nn1C)CC2,0,0,0,0
COc1cc(N2CCC(O)CC2)ccc1-c1nc2c(C)nn(C3CCCCC3)c(=O)c2[nH]1,0,0,0,0
Cc1c(C(=O)NCC#CCN(C)C)sc2ncnc(Nc3cccnc3OC(C)C)c12,0,0,0,0
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC=O)NC(=O)[C@H]2CCCCN2CC1=O,0,0,0,1
O=C(O)CCOc1ccc(Cl)cc1C1CCCCC1,0,0,0,0
CCN(CC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F)C(=O)c1c(Cl)ccc(NC(=O)CCl)c1Cl,0,0,1,0
CC(C)c1ccc(S(=O)(=O)n2c(N)nc3ccccc32)cc1,0,0,0,0
CCc1n[nH]c(=S)n1/N=C/c1c(C)nn(-c2ccccc2)c1Cl,0,0,0,0
C[C@H]1OC(=O)[C@@H]2C[C@@H]3C[C@H](CO)CC[C@H]3[C@H](/C=C/c3ccc(-c4cccc(F)c4)cn3)[C@H]12,0,0,0,0
O=S(=O)(NCCCCCCNCc1ccc2ccccc2c1)c1ccc2ccccc2c1,0,0,0,0
O=C(CNS(=O)(=O)c1cccc(Cl)c1)Nc1ccc(-c2nc3ccccc3s2)cc1,1,1,0,0
CC(C)N1CCC(N2CCN(Cc3ccc4nsnc4c3)CC2CCO)CC1,0,0,0,0
Cc1nc(NCC2CCCO2)c2oc3ccccc3c2n1,0,0,0,0
CCCCNC(=O)CNC(=S)N(Cc1ccccc1)Cc1cccnc1,0,0,0,0
Cn1c(N2CCCN(CCCN3c4ccccc4COc4ccc(CC(=O)O)cc43)CC2)cc(=O)n(C)c1=O,0,0,0,0
COC(=O)C1CC2c3c(cnc4c(-c5ccc(Cl)c(O)c5)c(-c5ccncc5)nn34)CC1N2C,0,0,0,0
OCc1cccc(C2=NCC(c3ccc(F)cc3)(c3ccc(F)cc3)N2)c1,0,0,0,0
O=C1CC(c2ccccc2)Sc2ccccc2N1Cc1ccccc1F,0,0,0,0
N#CC1=C(SCc2ccc(C#N)cc2)N=C(N)C(c2nc(-c3ccccc3)cs2)C12CCCCC2,1,0,0,0
O=C(/C=C/c1ccc2c(c1)C(=O)CC1(CCCN(CCc3ccccc3)CC1)O2)NO,0,0,0,1
CCn1c(SCC(=O)c2cccs2)nnc1-c1ccco1,0,1,0,0
CCOC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CC(=O)N3C)CC1,0,0,0,0
CC(=O)NCC1(C)CCC(c2ccccc2)(N(C)C)CC1,0,0,0,0
COc1cc2c(cc1OCCCN1CCN(c3ccccc3OC)CC1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2,0,0,0,0
CCc1ccc(NC(=O)CNS(=O)(=O)c2ccc(Br)s2)cc1,1,0,0,0
COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C#N)sc3n2)c1,0,0,0,0
CCCCCNc1cc(-c2ccc3ncsc3c2)nc(C)n1,0,0,0,0
COc1ccc(-n2c(C)cc(C=C3SC(=S)N(C)C3=O)c2C)cc1,1,0,0,0
CCOC(=O)Cc1nnc(NC(=O)CSc2nnc3c4ccccc4n(C)c3n2)s1,1,0,0,0
CC1CN(c2ccccc2[N+](=O)[O-])CCN1CCN1C(=O)CC2(CCCC2)CC1=O,0,0,0,0
O=c1[nH]c(C2C3CC4CC(C3)CC2C4)nc2ccccc12,0,0,0,0
O=S(=O)(c1ccccc1)c1cc(Cl)c2oc3c(c2c1)CNCC3,0,0,0,0
CCOc1ccc(CNC2CCCCCCC2)cc1OC,0,0,0,0
CCc1nc(N)nc(N)c1-c1ccc2c(c1)N(CCCC(F)(F)F)C(=O)[C@](C)(c1cc(F)cc(F)c1)O2,0,0,0,0
O=C(Nc1ccc(Br)c2cccnc12)c1ccc(Cn2cc(Cl)cn2)o1,1,0,0,0
COc1cc(C(=O)N2CC3CNCC3C2)on1,0,0,0,0
COc1cc(C2(O)CCCCC2C)cc(OC)c1OC,0,0,0,0
CCOc1cc2ncc(C#N)c(Nc3ccc(OCc4ccccn4)c(Cl)c3)c2cc1NC(=O)/C=C/[C@H]1CCCN1C,0,0,1,0
O=C(O)CC1C=CS(=O)(=O)C1,0,0,1,0
O=C(/C=C/C1CCC(c2ccc(O)cc2)CC1)NO,0,0,0,0
S=c1[nH]nc(-c2ccccc2)n1N=Cc1cccs1,0,0,0,0
COc1ccccc1N1CCOc2cc(S(=O)(=O)Nc3ncns3)ccc21,0,0,0,0
CCC1(c2ccccc2)c2c(ccc(F)c2F)NC(=O)N1CC(F)(F)F,0,0,0,0
COC(=O)CS(=O)(=O)c1ccc2c(c1)CC(=O)N2,1,0,0,0
CCOC(=O)C1CCCN(C(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)C1,1,0,0,0
COCCOc1cccc2c(NCc3ccccc3)nc(-n3c(OC)nc4ccccc43)nc12,0,0,0,0
COc1cc(Cl)cc(C2NC(=O)NC(C)=C2C(C)=O)c1OCC(=O)O,0,0,0,0
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)COc1ccccc1Cc1ccccc1,1,0,0,0
COc1ccc(NC(=S)N2C3CCC2CC(NC(=O)NC24CC5CC(CC(C5)C2)C4)C3)c(OC)c1,1,0,0,0
CCN(C/C=C/C#CC(C)(C)C)Cc1cccc(OCCCS(=O)(=O)c2cccs2)c1,0,0,0,0
CC1CCCCC1NC(=O)CCS(=O)(=O)c1cc2c(cc1Cl)NC(=O)CO2,0,0,0,0
C=C1c2cccc(OC)c2OC(C(=O)OCC)C1CCC(C)C,1,0,0,0
Cc1cccc(NC(=O)Nc2ccc(C#N)cc2)n1,1,0,0,0
COc1ccc(-c2cc3ccccc3nc2N)cc1OC,0,0,0,0
Cc1cccc(-c2nc3ccc(C4=NNC(=O)C5CC45)cc3o2)c1,0,0,0,0
CCN(NC(=O)C(F)(F)F)C(=O)N[C@H](C)c1ncc(-c2cc(Cl)cc(Cl)c2-c2noc(C)n2)cc1F,0,0,0,0
CCOC(=O)CC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccc1,0,0,0,0
O=C1CC(c2ccco2)CC(O)=C1C=NCC1CCNCC1,0,0,0,1
C=C(C)C(=O)Nc1cccc(-c2ncnc3[nH]cc(C(=O)OCC)c23)c1,0,0,0,0
CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1,0,0,0,0
O=c1[nH]c2cccc3c2n1CC(N(CC1CC1)CC1CC1)C3,0,0,0,0
COCCNC(=O)c1csc2c1CCCC2,0,0,0,0
Cc1ccn2c(Nc3c(C)cccc3C)c(-c3ccc(Cl)s3)nc2c1,1,0,0,0
COc1ccc(-c2cc(C(=O)NN=Cc3sccc3C)c3ccccc3n2)c(OC)c1,1,0,0,0
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC(C(N)=O)CC2)Cc2ccc(F)cc2)cc1,1,0,0,0
Cc1ccc2c(CC(=O)Nc3ccc(S(=O)(=O)N4CCCC(C)C4)cc3)coc2c1,1,0,0,0
CS(=O)(=O)c1ccc(OCC2CCCCC2)c(C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)c1,0,0,0,0
Cc1[nH]cnc1CN1CCN(c2cccc([N+](=O)[O-])c2)C1=O,0,0,0,0
O=C1OC[C@@H](c2ccc(F)cn2)N1c1ccn2ncc(-c3ccc(-c4ncn[nH]4)cc3)c2n1,0,0,0,0
CCNC(=S)N/N=C(\C)c1ccc(N2CCOCC2)cc1,0,0,0,0
Fc1cccc(Cl)c1Cc1noc(/C=C/c2ccccc2)n1,0,1,0,0
Cc1nc(-c2ccc(S(=O)(=O)Nc3cccc(-c4nn[nH]n4)c3)s2)cs1,0,0,0,0
Nc1nc(CSc2nc3ccccc3s2)nc(Nc2ccccc2)n1,0,0,0,0
O=C(CN1CCC(n2nnc3cc(F)ccc32)CC1)Nc1ccccc1N1CCOCC1,1,0,0,0
COc1ccc(-c2ccc(Cn3cc(CCN)c4cc(OCCc5ccc(O)cc5)ccc43)cc2)cc1,0,0,0,0