uuid,molecule,fragments,linker,anchor_1,anchor_2,energy
0,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,C1CCNC1.CCNC(=O)NCCc1ccc(C)cc1C,c1cscn1,3,17,0
1,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,CCc1ccc(C)cc1C.c1csc(N2CCCC2)n1,CCNC(N)=O,6,19,0
2,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,CCc1csc(N2CCCC2)n1.Cc1ccc(C)c(C)c1,CNC(N)=O,5,20,0
3,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,Cc1cccc(C)c1.Cc1csc(N2CCCC2)n1,CCNC(=O)NC,4,18,0
4,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,Cc1ccc(C)c(C)c1.c1csc(N2CCCC2)n1,CCNC(=O)NC,5,18,0
5,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,Cc1cccc(C)c1.c1csc(N2CCCC2)n1,CCNC(=O)NCC,4,17,0
6,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,CCc1csc(N2CCCC2)n1.Cc1cccc(C)c1,CCNC(N)=O,4,19,0
7,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,Cc1ccc(C)c(C)c1.Cc1csc(N2CCCC2)n1,CNC(=O)NC,5,19,0
8,O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CCN1,Fc1cccc(F)c1.O=C1CN(S(=O)(=O)c2ccccc2)CCN1,NC=O,6,19,0
9,O=C1CN(S(=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)CCN1,NC(=O)c1cc(F)cc(F)c1.O=C1CN([SH](=O)=O)CCN1,c1ccccc1,2,15,0
10,CCc1ccccc1NC(=O)C(=O)NC[C@H](C)C[C@@H](C)O,CC(C)C[C@@H](C)O.CCc1ccccc1,NC(=O)C(N)=O,7,14,0
11,Cc1ccc(C(C)C)c(OCC(=O)N/N=C/c2ccco2)c1,COc1cc(C)ccc1C(C)C.c1ccoc1,C=NNC=O,10,15,0
12,Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O,CC(C1CC1)C1CC1.Cc1ccc2c(c1)C(=O)N(C)C2=O,CC(N)=O,4,18,0
13,Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O,C1CC1CC1CC1.Cc1ccc2c(c1)C(=O)N(C)C2=O,CNC(C)=O,3,17,0
14,Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O,CC(C1CC1)C1CC1.CCN1C(=O)c2ccc(C)cc2C1=O,NC=O,4,19,0
15,Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O,CC(C1CC1)C1CC1.Cc1ccc2c(c1)C(=O)NC2=O,CCC(N)=O,4,17,0
16,Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O,C1CC1CC1CC1.Cc1ccc2c(c1)C(=O)NC2=O,CCC(=O)NC,3,16,0
17,Cc1ccc2c(c1)C(=O)N(CCC(=O)NCC(C1CC1)C1CC1)C2=O,C1CC1CC1CC1.CCN1C(=O)c2ccc(C)cc2C1=O,CNC=O,3,18,0
18,CC[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(Br)cc1,CCCc1ccc(Br)cc1.CN1CCOCC1,NC=O,2,15,0
19,CC[C@H](NC(=O)[C@H]1CN(C)CCO1)c1ccc(Br)cc1,Brc1ccccc1.CN1CCOCC1,CCCNC=O,4,12,0
20,CN(C)c1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cn1,CN(C)c1ccccn1.O=c1nc2ccccc2c(=O)[nH]1,CC(N)=O,6,14,0
21,CN(C)c1ccc(NC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)cn1,CN(C)c1ccccn1.Cn1c(=O)[nH]c(=O)c2ccccc21,NC=O,6,15,0
22,Cc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc45)C3)c2c1,Cc1ccc2ncccc2c1.O=Cc1cccc2ccccc12,O=CN1CCCCC1,8,12,0
23,Cc1ccc2nccc(C(=O)N3CCC[C@H](C(=O)c4cccc5ccccc45)C3)c2c1,Cc1ccc2ncccc2c1.c1ccc2ccccc2c1,O=C[C@H]1CCCN(C=O)C1,8,15,0
24,C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)C1,C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccccc2)C1.c1ccsc1,NC=O,13,20,0
25,C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3cccs3)cc2)C1,C[C@H]1C[C@@H](C)CN([SH](=O)=O)C1.NC(=O)c1cccs1,c1ccccc1,7,13,0
26,Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCCC1.NS(=O)(=O)c1ccccc1,NC=O,16,26,0
27,Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC(C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,Cc1cccc(C(F)(F)F)n1.NS(=O)(=O)c1ccc(NC=O)cc1,O=CN1CCCCC1,10,20,0
28,C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1,NC(=O)NCc1cccnc1.OCc1ccccn1,CCc1ccccc1,10,16,0
29,C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1,CCNC(=O)NCc1cccnc1.OCc1ccccn1,c1ccccc1,1,18,0
30,C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1,CCc1cccc(OCc2ccccn2)c1.Cc1cccnc1,NC(N)=O,1,21,0
31,C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1,Cc1cccnc1.c1ccc(OCc2ccccn2)cc1,CCNC(N)=O,10,19,0
32,C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1,CCc1cccc(OCc2ccccn2)c1.c1ccncc1,CNC(N)=O,1,20,0
33,C[C@H](NC(=O)NCc1cccnc1)c1cccc(OCc2ccccn2)c1,CCNC(=O)NCc1cccnc1.Cc1ccccn1,Oc1ccccc1,1,17,0
34,Cc1ccc(-c2nc(CSc3ncn[nH]3)co2)c(C)c1,CSc1ncn[nH]1.Cc1cccc(C)c1,c1cocn1,4,13,0
35,Cc1ccc(-c2nc(CSc3ncn[nH]3)co2)c(C)c1,Cc1cccc(C)c1.Sc1ncn[nH]1,Cc1cocn1,4,12,0
36,C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1,CNC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1.C[C@@H]1Cc2ccccc2O1,c1cnoc1,5,13,0
37,C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1,C[C@@H]1Cc2cc(-c3ccno3)ccc2O1.O=C1CCCN1c1ccc(Cl)cc1,CNC=O,8,18,0
38,C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1,C[C@@H]1Cc2cc(-c3cc(CNC=O)no3)ccc2O1.Clc1ccccc1,O=C1CCCN1,11,23,0
39,C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1,Cc1cc(-c2ccc3c(c2)C[C@@H](C)O3)on1.O=C1CCCN1c1ccc(Cl)cc1,NC=O,9,19,0
40,C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1,C[C@@H]1Cc2ccccc2O1.NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1,Cc1ccon1,5,12,0
41,C[C@@H]1Cc2cc(-c3cc(CNC(=O)[C@H]4CC(=O)N(c5ccc(Cl)cc5)C4)no3)ccc2O1,C[C@@H]1Cc2ccccc2O1.O=C1CCCN1c1ccc(Cl)cc1,O=CNCc1ccon1,5,13,0
42,Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21,CN1C(=O)CCOc2ccccc21.Cc1cc(C)n([C@@H]2CCS(=O)(=O)C2)n1,CN(C)C=O,13,26,0
43,Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21,CN(C)C(=O)CN1C(=O)CCOc2ccccc21.O=S1(=O)CCCC1,Cc1cc(C)nn1,2,23,0
44,Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21,CN1C(=O)CCOc2ccccc21.Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C,CNC=O,14,27,0
45,Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21,Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1C.O=C1CCOc2ccccc2N1,CNC(C)=O,14,26,0
46,Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1CN(C)C(=O)CN1C(=O)CCOc2ccccc21,Cc1cc(C)n([C@@H]2CCS(=O)(=O)C2)n1.O=C1CCOc2ccccc2N1,CC(=O)N(C)C,13,25,0
47,COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC,COc1ccc(C(=O)Nc2nc(C)cs2)cc1OC.c1ccsc1,c1ncon1,12,22,0
48,COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC,COc1ccc(C(N)=O)cc1OC.Cc1nc(-c2cccs2)no1,c1cscn1,8,21,0
49,COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC,COc1ccc(C(N)=O)cc1OC.c1csc(-c2ncon2)c1,Cc1cscn1,8,20,0
50,COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC,COc1ccccc1OC.c1csc(-c2noc(Cc3cscn3)n2)c1,NC=O,5,22,0
51,COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC,COc1ccccc1OC.c1csc(-c2ncon2)c1,Cc1csc(NC=O)n1,5,17,0
52,COc1ccc(C(=O)Nc2nc(Cc3nc(-c4cccs4)no3)cs2)cc1OC,COc1ccccc1OC.Cc1nc(-c2cccs2)no1,O=CNc1nccs1,5,18,0
53,Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12,CCn1cnc2c(C)cccc2c1=O.Cc1cccs1,CN(C)C=O,10,18,0
54,Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12,CCc1cccs1.CCn1cnc2c(C)cccc2c1=O,CNC=O,10,19,0
55,Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12,CCc1cccs1.Cc1cccc2c(=O)n(C)cnc12,CNC(C)=O,9,18,0
56,Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12,CCc1cccs1.Cc1cccc2c(=O)ncnc12,CCC(=O)NC,8,17,0
57,Cc1cccc2c(=O)n(CCC(=O)N(C)CCc3cccs3)cnc12,Cc1cccc2c(=O)n(C)cnc12.Cc1cccs1,CC(=O)N(C)C,9,17,0
58,COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1,COc1ccc(C)cc1.CS(=O)(=O)NCc1ccco1,c1ncon1,6,18,0
59,COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1,COc1ccccc1.CS(=O)(=O)NCc1ccco1,Cc1ncon1,5,17,0
60,COc1ccc(Cc2noc(-c3ccc(CNS(C)(=O)=O)o3)n2)cc1,CNS(C)(=O)=O.COc1ccc(Cc2ncon2)cc1,c1ccoc1,10,19,0
61,COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1,COCC[NH+]1CCCCC1.Fc1cccc(F)c1,CNC(=O)C(N)=O,7,14,0
62,COCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(F)cc2F)CC1,COCC[NH+]1CCC(C)CC1.Fc1cccc(F)c1,NC(=O)C(N)=O,8,15,0
63,O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2cccn3cncc23)c1,O=CNc1ccc(F)c(F)c1.c1ccn2cncc2c1,O=CNc1ccccc1,1,13,0
64,O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2cccn3cncc23)c1,NC(=O)c1cccn2cncc12.O=CNc1ccc(F)c(F)c1,c1ccccc1,2,13,0
65,O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2cccn3cncc23)c1,Fc1ccccc1F.O=C(Nc1ccccc1)c1cccn2cncc12,NC=O,4,15,0
66,O=C(Nc1ccc(F)c(F)c1)c1cccc(NC(=O)c2cccn3cncc23)c1,O=C(Nc1ccc(F)c(F)c1)c1ccccc1.c1ccn2cncc2c1,NC=O,15,19,0
67,COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1,CNC(=O)Nc1cc(F)ccc1OC.c1ccccc1,C1CCOC1,13,17,0
68,COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1,COc1ccc(F)cc1NC(N)=O.c1ccccc1,C[C@H]1CCOC1,12,16,0
69,COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1,COc1ccc(F)cc1.c1ccc([C@H]2CCCO2)cc1,CNC(N)=O,8,17,0
70,COc1ccc(F)cc1NC(=O)NC[C@H]1CCO[C@H]1c1ccccc1,COc1ccc(F)cc1.C[C@H]1CCO[C@H]1c1ccccc1,NC(N)=O,8,18,0
71,C#CCOc1ccc(NC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1,C#CCOc1ccc(NC=O)cc1.Cc1nc[nH]n1,c1ccccc1,9,17,0
72,C#CCOc1ccc(NC(=O)c2ccc(-c3nc(C)n[nH]3)cc2)cc1,C#CCOc1ccccc1.Cc1n[nH]c(-c2ccccc2)n1,NC=O,7,18,0
73,O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1,O=CN1CC([NH+]2CCCCC2)C1.Oc1ccc(F)cc1Cl,Cc1ncco1,5,10,0
74,O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1,Fc1cccc(Cl)c1.O=CN1CC([NH+]2CCCCC2)C1,OCc1ncco1,4,9,0
75,O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1,COc1ccc(F)cc1Cl.O=CN1CC([NH+]2CCCCC2)C1,c1cocn1,6,11,0
76,O=C(c1coc(COc2ccc(F)cc2Cl)n1)N1CC([NH+]2CCCCC2)C1,C1CC[NH+]CC1.Fc1ccc(OCc2ncco2)c(Cl)c1,O=CN1CCC1,3,15,0
77,CCc1nnc(SCCOc2ccc(F)cc2Cl)n1N,CCc1nnc(S)n1N.Fc1cccc(Cl)c1,CCO,6,13,0
78,CCc1nnc(SCCOc2ccc(F)cc2Cl)n1N,CCc1nncn1N.Oc1ccc(F)cc1Cl,CCS,5,13,0
79,CCc1nnc(SCCOc2ccc(F)cc2Cl)n1N,CCc1nncn1N.Fc1cccc(Cl)c1,OCCS,5,12,0
80,O[C@H](Cc1nccs1)C1CCCCC1,C1CCCCC1.c1cscn1,CCO,3,9,0
81,Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-],C[C@H]1CCCN1c1ccccc1.Cc1nn(C)c(C)c1[N+](=O)[O-],NC=O,3,16,0
82,Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-],C[C@H]1CCCN1c1ccccc1.Cc1nnc(C)c1[N+](=O)[O-],CC(N)=O,3,15,0
83,Cc1nn(CC(=O)N[C@H]2C[C@H](C)N(c3ccccc3)C2)c(C)c1[N+](=O)[O-],Cc1nn(CC(N)=O)c(C)c1[N+](=O)[O-].c1ccccc1,C[C@H]1CCCN1,7,17,0
84,COc1ccc(C(=O)C2CCN(c3cc(CSC)ccn3)CC2)cc1,COc1ccccc1.CSCc1ccncc1,O=CC1CCNCC1,5,15,0
85,COc1ccc(C(=O)C2CCN(c3cc(CSC)ccn3)CC2)cc1,COc1ccc(C=O)cc1.CSCc1ccncc1,C1CCNCC1,6,17,0
86,CSc1ccc(NC(=O)[C@H]2CC23CCN(C(=O)CN2C(=O)c4ccccc4C2=O)CC3)cc1,CSc1ccccc1.O=C(CN1C(=O)c2ccccc2C1=O)N1CCC2(CC1)CC2,NC=O,5,29,0
87,COC(=O)Cc1ccc(C[NH+]2CC(C)(C)C2(C)C)s1,COC(C)=O.C[NH+]1CC(C)(C)C1(C)C,c1ccsc1,5,13,0
88,Cc1ccc(C)c(NC(=O)C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)c1,Cc1ccc(C)cc1.FC(F)Oc1ccc2c(c1)CCCC2,NC(=O)C(N)=O,6,21,0
89,C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O,CCCn1ccnc1.O=c1cccc(-c2ccccc2)[nH]1,NC=O,1,20,0
90,C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O,NC(=O)c1ccc(-c2ccccc2)[nH]c1=O.c1cncn1,CCC,2,18,0
91,C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)[nH]c1=O,Cn1ccnc1.O=c1cccc(-c2ccccc2)[nH]1,CCNC=O,12,16,0
92,CC[C@@H]([C@H](O)c1ccccc1)N1CC[N@@H+]2CCC[C@@H]2C1,C1C[C@@H]2CNCC[NH+]2C1.c1ccccc1,CCCCO,4,12,0
93,COc1ccc(NC(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)c(OC)c1,COc1cccc(OC)c1.O=S(=O)(NC1CC1)c1ccc(Cl)cc1Cl,NC=O,5,19,0
94,CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1,CCNC(C)=O.COc1cccc(C(C)C)c1,NC=O,5,15,0
95,CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1,CCNC(=O)CNC=O.COc1ccccc1,CCC,7,15,0
96,CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1,CCNC(C)=O.CCc1cccc(OC)c1,CC(N)=O,5,13,0
97,CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1,CCNC(C)=O.COc1ccccc1,CCCC(N)=O,5,12,0
98,CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1,CCNC=O.COc1cccc(C(C)C)c1,CNC=O,3,14,0
99,CCNC(=O)CNC(=O)C[C@H](C)c1cccc(OC)c1,CCNC=O.CCc1cccc(OC)c1,CNC(C)=O,3,12,0
100,CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1,CC(C)CC(N)=O.NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-],c1ccccc1,6,18,0
101,CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1,CC(C)CC(=O)Nc1ccccc1.O=C([O-])[C@@H]1CCCCC1,NC=O,10,21,0
102,CC1=N[C@@H]2C=CC(C(=O)N3CCC([C@@H](Cc4ccc(F)cc4F)N(C)C(=O)C4CC4)CC3)=CC2=C1C,CC1=N[C@@H]2C=CC=CC2=C1C.CN(CCc1ccc(F)cc1F)C(=O)C1CC1,O=CN1CCCCC1,6,18,0
103,CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1,CC(C)CCO.CC(C)CN1CCOCC1,CNC(N)=O,3,9,0
104,CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1,CC(C)CCO.CC(C)[C@@H](C)N1CCOCC1,NC(N)=O,3,10,0
105,CC(C)[C@@H](CO)NC(=O)NC[C@H](C(C)C)N1CCOCC1,C1COCCN1.CC(C)[C@@H](CO)NC(N)=O,CCC(C)C,2,15,0
106,CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1,CC(C)c1nnnn1.Cn1cc[nH+]c1-c1ccccc1,CC(N)=O,7,18,0
107,CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1,CC(C)c1nnnn1CC(N)=O.Cn1cc[nH+]c1,c1ccccc1,11,17,0
108,CC(C)c1nnnn1CC(=O)Nc1cccc(-c2[nH+]ccn2C)c1,CC(C)c1nnnn1C.Cn1cc[nH+]c1-c1ccccc1,NC=O,8,19,0
109,C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1,C[C@H]1CCC[C@@H](C)C1.OCCCc1ccccc1,NC(N)=O,7,10,0
110,C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1,C[C@H]1CCC[C@@H](C)C1.Cc1ccccc1,NC(=O)NCCO,7,12,0
111,C[C@H]1CCC[C@@H](C)[C@H]1NC(=O)N[C@H](CO)Cc1ccccc1,C[C@H]1CCC[C@@H](C)C1NC(N)=O.c1ccccc1,CCCO,11,15,0
112,O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12,Cc1nc2ccc(Cl)cc2c(=O)[nH]1.c1ccc2scnc2c1,C1CCNCC1,4,18,0
113,O=c1[nH]c(CN2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccc(Cl)cc12,O=c1[nH]cnc2ccc(Cl)cc12.c1ccc2scnc2c1,CN1CCCCC1,3,17,0
114,Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1,Cc1cccc(CS(N)(=O)=O)c1.N#Cc1cccc(F)c1,C1CCNCC1,10,17,0
115,Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1,Cc1ccccc1.N#Cc1ccc(N2CCCCC2)c(F)c1,CS(N)(=O)=O,5,17,0
116,Cc1cccc(CS(=O)(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)c1,Cc1cccc(C)c1.N#Cc1ccc(N2CCCCC2)c(F)c1,N[SH](=O)=O,6,18,0
117,C[C@H](CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1ccc(C(F)(F)F)cc1,FC(F)(F)c1ccccc1.O=CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1,CCC,7,11,0
118,C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl,CC(C)(C)OC(N)=O.N#CCc1ncc(C(F)(F)F)cc1Cl,CCC=O,7,10,0
119,C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl,CC(C)(C)OC(N)=O.FC(F)(F)c1cncc(Cl)c1,CCC(=O)CC#N,7,15,0
120,C[C@@H](NC(=O)OC(C)(C)C)C(=O)[C@@H](C#N)c1ncc(C(F)(F)F)cc1Cl,CCNC(=O)OC(C)(C)C.FC(F)(F)c1cncc(Cl)c1,N#CCC=O,1,17,0
121,Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.Cc1ccccc1,CNC=O,11,20,0
122,Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(C)Cc3ccccc3)CC2)cc1,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.c1ccccc1,CN(C)C=O,11,19,0
123,COc1ccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1,COc1ccccc1.C[C@@H]1CCS(=O)(=O)C1,CC(C)C[NH2+],5,14,0
124,COc1ccc([C@H]([NH2+]C[C@@H]2CCS(=O)(=O)C2)C(C)C)cc1,COc1ccccc1.O=S1(=O)CCCC1,C[NH2+]CC(C)C,5,13,0
125,Cn1ccc(C(=O)NC2(c3ccc(F)cc3F)CCOCC2)cc1=O,Cn1ccccc1=O.Fc1ccc(C2CCOCC2)c(F)c1,NC=O,4,13,0
126,CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1,CCCn1cncn1.Cc1ccccc1,CCCNC(N)=O,1,12,0
127,CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1,C[C@H](Cn1cncn1)NC(N)=O.c1ccccc1,CCCC,11,15,0
128,CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1,CCCCc1ccccc1.CCCn1cncn1,NC(N)=O,2,11,0
129,CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1,CCCCc1ccccc1.Cn1cncn1,CCNC(N)=O,2,14,0
130,CC[C@H](Cc1ccccc1)NC(=O)N[C@H](C)Cn1cncn1,CC[C@H](Cc1ccccc1)NC(N)=O.c1ncnn1,CCC,13,17,0
131,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1,COc1cc(C)c2c(C)nn(-c3ccccc3)c2n1.Cc1ccc(Cl)cc1,CCC(N)=O,18,24,0
132,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1,COc1cc(C)c2c(C)nn(-c3ccccc3)c2n1.Clc1ccccc1,CCC(=O)NC,18,23,0
133,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1C.Cc1ccc(Cl)cc1,CC(N)=O,19,25,0
134,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1C.Clc1ccccc1,CNC(C)=O,19,24,0
135,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1,CCc1c(OC)nc2c(c(C)nn2-c2ccccc2)c1C.Clc1ccccc1,CNC=O,20,25,0
136,COc1nc2c(c(C)nn2-c2ccccc2)c(C)c1CCC(=O)NCc1ccc(Cl)cc1,CCc1c(OC)nc2c(c(C)nn2-c2ccccc2)c1C.Cc1ccc(Cl)cc1,NC=O,20,26,0
137,CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1,C1CC[NH+]CC1.CCC[C@@H]1CCCO1,CCC(C)CO,3,12,0
138,CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1,C1CCOC1.CC[C@@](C)(CO)[NH+]1CCCCC1,CCC,3,9,0
139,CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1,CCC(C)[NH+]1CCCCC1.C[C@@H]1CCCO1,CCCO,4,8,0
140,CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1,CCC(C)[NH+]1CCCCC1.CC[C@@H]1CCCO1,CCO,5,9,0
141,CC[C@@](C)([C@@H](O)CCC[C@@H]1CCCO1)[NH+]1CCCCC1,C1CCOC1.CCC(C)[NH+]1CCCCC1,CCCCO,3,7,0
142,COc1cccc2cc(C(=O)NC[C@H]([C@@H]3CCOC3)N3CCOCC3)oc12,C1CN(C[C@@H]2CCOC2)CCO1.COc1cccc2ccoc12,CNC=O,3,20,0
143,COc1cccc2cc(C(=O)NC[C@H]([C@@H]3CCOC3)N3CCOCC3)oc12,COc1cccc2ccoc12.C[C@H]([C@@H]1CCOC1)N1CCOCC1,NC=O,4,21,0
144,Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1,C[C@@H]1CCCO1.Cc1ccc(C[NH+](C)C)cc1,CNC(=O)NC,4,11,0
145,Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1,CN(C[C@@H]1CCCO1)C(N)=O.Cc1ccccc1,CC[NH+](C)C,10,15,0
146,Cc1ccc([C@H](CNC(=O)N(C)C[C@@H]2CCCO2)[NH+](C)C)cc1,C[C@@H]1CCCO1.Cc1ccc([C@H](C)[NH+](C)C)cc1,CNC(N)=O,4,12,0
147,CC(C)Cc1nnc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)s1,CC(C)Cc1nnc(NC=O)s1.O=c1ccc([O-])nn1,c1ccccc1,9,19,0
148,CC(C)Cc1nnc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)s1,CC(C)Cc1nncs1.O=c1ccc([O-])nn1-c1ccccc1,NC=O,7,21,0
149,Cc1csc(CN2CCN(c3[nH+]cccc3N)CC2)n1,Cc1csc(C)n1.Nc1ccc[nH+]c1,C1CNCCN1,5,13,0
150,C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1Cl)[C@H]1CCCO1,CC(C)c1ccc(F)cc1Cl.CC[C@H]1CCCO1,NC(N)=O,1,12,0
151,C[C@@H](NC(=O)NC(C)(C)c1ccc(F)cc1Cl)[C@H]1CCCO1,CC[C@H]1CCCO1.Fc1cccc(Cl)c1,CC(C)NC(N)=O,1,11,0
152,Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1,Cc1cc(NC=O)on1.Cc1cccc(Cl)c1,CCN1CCNCC1,5,15,0
153,Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1,Cc1ccon1.Clc1cccc(CN2CCNCC2)c1,CCC(N)=O,3,16,0
154,Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1,CCC(=O)Nc1cc(C)no1.Clc1ccccc1,CN1CCNCC1,7,16,0
155,Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1,CCN1CCN(Cc2cccc(Cl)c2)CC1.Cc1ccon1,NC=O,1,19,0
156,Cc1cc(NC(=O)[C@@H](C)N2CCN(Cc3cccc(Cl)c3)CC2)on1,CCC(=O)Nc1cc(C)no1.Cc1cccc(Cl)c1,C1CNCCN1,7,17,0
157,COc1cccc(C(=O)CSc2nnc(CO)n2C2CC2)c1,COc1ccccc1.OCc1nncn1C1CC1,O=CCS,6,13,0
158,COc1cccc(C(=O)CSc2nnc(CO)n2C2CC2)c1,COc1ccccc1.OCc1nnc(S)n1C1CC1,CC=O,6,14,0
159,NS(=O)(=O)Cc1cccc(NC(=O)c2n[nH]c3ccccc23)c1,NS(=O)(=O)Cc1ccccc1.c1ccc2[nH]ncc2c1,NC=O,9,15,0
160,C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1,C[NH+](C)Cc1ccccn1.NC(=O)Cc1cccnc1,CC1CCCCC1,3,19,0
161,C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1,C[NH+](C)[C@@H](c1ccccn1)C1CCCCC1.Cc1cccnc1,CNC=O,13,21,0
162,C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1,CC1CCC([C@H](c2ccccn2)[NH+](C)C)CC1.Cc1cccnc1,NC=O,14,22,0
163,C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1,C[NH+](C)[C@@H](c1ccccn1)C1CCCCC1.c1ccncc1,CNC(C)=O,13,20,0
164,C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1,CC1CCC([C@H](c2ccccn2)[NH+](C)C)CC1.c1ccncc1,CC(N)=O,14,21,0
165,C[NH+](C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)Cc2cccnc2)CC1,CNC(=O)Cc1cccnc1.C[NH+](C)Cc1ccccn1,C1CCCCC1,3,20,0
166,CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CCOc1ccc(CC(N)=O)cc1.O=[SH](=O)N1CCCC1,c1ccccc1,10,14,0
167,CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CCOc1ccc(C)cc1.O=S(=O)(c1ccccc1)N1CCCC1,NC=O,7,16,0
168,CCOc1ccc(CC(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1,CCOc1ccccc1.O=S(=O)(c1ccccc1)N1CCCC1,CC(N)=O,6,15,0
169,O=C(Nc1ccccc1SCC(F)(F)F)C(=O)N1CCC[C@H](O)C1,FC(F)(F)CS.NC(=O)C(=O)N1CCC[C@H](O)C1,c1ccccc1,5,8,0
170,C[C@H](NCCN1CCOCC1)c1ccccc1,C1COCCN1.CCc1ccccc1,CCN,2,7,0
171,C[C@H](NCCN1CCOCC1)c1ccccc1,CCN1CCOCC1.c1ccccc1,CCN,4,11,0
172,C[C@H](NCCN1CCOCC1)c1ccccc1,CN1CCOCC1.c1ccccc1,CCNC,3,10,0
173,C[C@H](NCCN1CCOCC1)c1ccccc1,C1COCCN1.c1ccccc1,CCNCC,2,9,0
174,Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O,Cn1cc(C(=O)N2CCCCC2)ccc1=O.O=CNC1CCCC1,c1cn[nH]c1,11,17,0
175,Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O,C1CCCC1.Cn1cc(C(=O)N2CCCC[C@H]2c2cc[nH]n2)ccc1=O,NC=O,3,19,0
176,Cn1cc(C(=O)N2CCCC[C@H]2c2cc(C(=O)NC3CCCC3)[nH]n2)ccc1=O,Cn1ccccc1=O.O=C(NC1CCCC1)c1ccn[nH]1,O=CN1CCCCC1,3,18,0
177,c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1,CSc1nnc(NCc2ccccc2)s1.c1ccccc1,c1nnnn1,11,18,0
178,c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1,NCc1ccccc1.c1ccc(-n2cnnn2)cc1,CSc1nncs1,8,16,0
179,c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1,NCc1ccccc1.SCc1nnnn1-c1ccccc1,c1nncs1,10,18,0
180,c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1,Cc1ccccc1.Cc1nnnn1-c1ccccc1,Nc1nnc(S)s1,9,16,0
181,c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1,Sc1nnc(NCc2ccccc2)s1.c1ccccc1,Cc1nnnn1,10,17,0
182,c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1,Cc1ccccc1.SCc1nnnn1-c1ccccc1,Nc1nncs1,10,17,0
183,c1ccc(CNc2nnc(SCc3nnnn3-c3ccccc3)s2)cc1,Cc1nnnn1-c1ccccc1.NCc1ccccc1,Sc1nncs1,9,17,0
184,O=C([O-])C[C@H]([NH2+]Cc1ccco1)C(=O)Nc1cccc(O)c1,O=C([O-])CC[NH2+]Cc1ccco1.Oc1ccccc1,NC=O,4,17,0
185,CCO[C@H]1C[C@H](NC(=O)NCc2ncccc2C)C12CCCC2,CCO[C@H]1CCC12CCCC2.Cc1cccnc1,CNC(N)=O,5,17,0
186,CCO[C@H]1C[C@H](NC(=O)NCc2ncccc2C)C12CCCC2,CCO[C@H]1CCC12CCCC2.Cc1cccnc1C,NC(N)=O,5,18,0
187,C[C@H](Cn1cccn1)[NH2+]Cc1cccs1,Cc1cccs1.c1cnnc1,CC(C)[NH2+],3,9,0
188,C[C@H](Cn1cccn1)[NH2+]Cc1cccs1,c1ccsc1.c1cnnc1,C[NH2+]C(C)C,3,8,0
189,C[C@H](Cn1cccn1)[NH2+]Cc1cccs1,Cn1cccn1.c1ccsc1,CC[NH2+]C,4,9,0
190,C[C@H](Cn1cccn1)[NH2+]Cc1cccs1,[NH2+]Cc1cccs1.c1cnnc1,CCC,3,10,0
191,CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1,CCCSc1ccccc1.CN1C(=O)CC[C@H]1c1cccnc1,NC=O,5,20,0
192,CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1,CCSc1ccccc1.CN1C(=O)CC[C@H]1c1cccnc1,CNC=O,5,19,0
193,CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1,CN1C(=O)CC[C@H]1c1cccnc1.CSc1ccccc1,CCNC=O,5,18,0
194,CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1,CN1C(=O)C[C@H](C(N)=O)[C@H]1c1cccnc1.Sc1ccccc1,CCC,8,20,0
195,CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1,CN1C(=O)C[C@H](C(N)=O)[C@H]1c1cccnc1.c1ccccc1,CCCS,8,19,0
196,CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1,CN1C(=O)CC[C@H]1c1cccnc1.Sc1ccccc1,CCCNC=O,5,17,0
197,CN1C(=O)C[C@H](C(=O)NCCCSc2ccccc2)[C@H]1c1cccnc1,CNC(=O)[C@H]1CC(=O)N(C)[C@@H]1c1cccnc1.c1ccccc1,CCS,9,20,0
198,O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1,NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1.O=CNCc1ccc2c(c1)OCO2,c1ccccc1,1,20,0
199,O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1,Cc1ccc2c(c1)OCO2.O=S1(=O)C[C@H]2N=C(Nc3ccccc3)S[C@H]2C1,NC=O,11,23,0
200,O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1,Cc1ccc2c(c1)OCO2.NC1=N[C@@H]2CS(=O)(=O)C[C@@H]2S1,NC(=O)c1ccccc1,7,17,0
201,O=C(NCc1ccc2c(c1)OCO2)c1ccc(NC2=N[C@@H]3CS(=O)(=O)C[C@@H]3S2)cc1,O=S1(=O)C[C@H]2N=C(Nc3ccccc3)S[C@H]2C1.c1ccc2c(c1)OCO2,CNC=O,11,22,0
202,CC[C@H](C)CN(C)C(=O)NCc1cccc(NC(C)=O)c1,CC(=O)Nc1cccc(C)c1.CCC(C)C,CNC(N)=O,9,15,0
203,C[C@H]([NH2+]CCc1nccn1C)[C@@H](C)C(=O)[O-],CCC(=O)[O-].Cn1ccnc1,CC[NH2+]CC,1,10,0
204,C[C@H]([NH2+]CCc1nccn1C)[C@@H](C)C(=O)[O-],CC[C@@H](C)C(=O)[O-].Cn1ccnc1,CC[NH2+],5,12,0
205,Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccs1,Cn1cc([N+](=O)[O-])cn1.c1ccsc1,CNC=O,8,12,0
206,Cn1ncc([N+](=O)[O-])c1C(=O)NCc1cccs1,Cc1cccs1.Cn1cc([N+](=O)[O-])cn1,NC=O,8,13,0
207,C[C@H](Nc1ccc2[nH]ccc2c1)c1cc(F)cc(F)c1,Fc1cccc(F)c1.c1ccc2[nH]ccc2c1,CCN,6,12,0
208,Cc1cccn2c(=O)c(C(=O)NCc3n[nH]c(=S)n3C3CC3)cnc12,Cc1cccn2c(=O)ccnc12.S=c1[nH]ncn1C1CC1,CNC=O,8,16,0
209,Cc1cccn2c(=O)c(C(=O)NCc3n[nH]c(=S)n3C3CC3)cnc12,Cc1cccn2c(=O)ccnc12.Cc1n[nH]c(=S)n1C1CC1,NC=O,8,17,0
210,CC(=O)c1ccc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)cc1C,CC(=O)c1ccccc1C.c1ccc(Cc2ccccn2)cc1,NC(N)=O,6,14,0
211,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1,C[C@H]1CCO[C@H]1c1ccccc1.Cc1cc(C)c([N+](=O)[O-])c(C)c1,NC=O,5,21,0
212,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1,Cc1cc(C)c([N+](=O)[O-])c(C)c1.c1ccc([C@H]2CCCO2)cc1,CNC=O,5,20,0
213,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1,CNC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C.c1ccccc1,C1CCOC1,15,19,0
214,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)NC[C@H]1CCO[C@H]1c1ccccc1,Cc1cc(C)c([N+](=O)[O-])c(C)c1C(N)=O.c1ccccc1,C[C@H]1CCOC1,14,18,0
215,O=C(NCc1cn2cc(Br)ccc2n1)Nc1cn[nH]c1,Cc1cn2cc(Br)ccc2n1.c1cn[nH]c1,NC(N)=O,7,15,0
216,O=C(NCc1cn2cc(Br)ccc2n1)Nc1cn[nH]c1,Brc1ccc2nccn2c1.c1cn[nH]c1,CNC(N)=O,6,14,0
217,CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1,C1COCCN1.CC(=O)c1cccc([N+](=O)[O-])c1,CC(C)CN,2,12,0
218,CC(=O)c1ccc(NCC(C)(C)N2CCOCC2)c([N+](=O)[O-])c1,C1COCCN1.CC(=O)c1ccc(N)c([N+](=O)[O-])c1,CC(C)C,2,13,0
219,COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1,C=Cc1cc(OC)cc(OC)c1.Cc1ccn(C)n1,CCNC=O,6,18,0
220,COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1,CCc1cn(C)nc1C.COc1cccc(OC)c1,C=CC(N)=O,8,17,0
221,COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1,COc1cccc(OC)c1.Cc1ccn(C)n1,C=CC(=O)NCC,8,16,0
222,COc1cc(/C=C/C(=O)N[C@@H](C)c2cn(C)nc2C)cc(OC)c1,C=Cc1cc(OC)cc(OC)c1.CCc1cn(C)nc1C,NC=O,6,19,0
223,O=C(/C=C/c1cc(Br)cs1)N[C@@H]1CCS(=O)(=O)C1,Brc1ccsc1.O=S1(=O)CCCC1,C=CC(N)=O,4,11,0
224,O=C(/C=C/c1cc(Br)cs1)N[C@@H]1CCS(=O)(=O)C1,C=Cc1cc(Br)cs1.O=S1(=O)CCCC1,NC=O,6,13,0
225,CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1nnnc1CC,CCOc1ccccc1F.CCc1nnnn1-c1ccccc1,NC=O,9,22,0
226,CCOc1c(F)cccc1C(=O)Nc1ccccc1-n1nnnc1CC,CCOc1c(F)cccc1C(N)=O.CCc1nnnn1,c1ccccc1,12,19,0
227,CCc1nc(C[NH+]2CCC(CNc3ccc(Cl)cn3)CC2)cs1,CCc1nccs1.CNc1ccc(Cl)cn1,C[NH+]1CCCCC1,4,13,0
228,Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1=CCCC1,CC[NH2+]CCC1=CCCC1.c1ccncc1,Cc1cscn1,1,14,0
229,Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CCC1=CCCC1,C1=CCCC1.CCc1sc(-c2cccnc2)nc1C,CC[NH2+],1,17,0
230,C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)n1cccn1,C[C@H](C(N)=O)n1cccn1.c1ccc2c(c1)CCO2,c1ccccc1,4,15,0
231,C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)n1cccn1,c1ccc(-c2ccc3c(c2)CCO3)cc1.c1cnnc1,CCC(N)=O,13,18,0
232,C[C@H](C(=O)Nc1cccc(-c2ccc3c(c2)CCO3)c1)n1cccn1,CCn1cccn1.c1ccc(-c2ccc3c(c2)CCO3)cc1,NC=O,1,20,0
233,Cc1ccccc1C1=NO[C@@H](CC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)C1,Cc1ccccc1C1=NOCC1.O=CN[C@H]1CCS(=O)(=O)C1,CC1CCOCC1,10,13,0
234,Cc1ccccc1C1=NO[C@@H](CC2(C(=O)N[C@H]3CCS(=O)(=O)C3)CCOCC2)C1,Cc1ccccc1C1=NO[C@@H](CC2CCOCC2)C1.O=S1(=O)CCCC1,NC=O,12,24,0
235,O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1,Cc1ccc(S(=O)(=O)N2CCCCC2)cc1.O=[N+]([O-])c1ccccc1,NC=O,7,23,0
236,O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1,O=CNc1cccc([N+](=O)[O-])c1.O=[SH](=O)N1CCCCC1,Cc1ccccc1,1,13,0
237,O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1,O=S(=O)(c1ccccc1)N1CCCCC1.O=[N+]([O-])c1ccccc1,CC(N)=O,6,22,0
238,O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1,CC(=O)Nc1cccc([N+](=O)[O-])c1.O=[SH](=O)N1CCCCC1,c1ccccc1,2,14,0
239,CCOC(=O)c1c(C)csc1NC(=O)c1occc1Br,Brc1ccoc1.CCOC(=O)c1cscc1C,NC=O,5,16,0
240,CCn1c(C[C@](C)(O)[C@@H]2CCC[NH2+]C2)nc2ccccc21,C1CC[NH2+]CC1.CCn1cnc2ccccc21,CC(C)O,4,9,0
241,CC[NH2+][C@H](Cc1cc(CC)nn1C)[C@@H]1CN(CC)CCO1,CCN1CCOCC1.CCc1ccn(C)n1,CC[NH2+]CC,6,12,0
242,COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1,CCc1ccc(F)cc1.COc1ccc(-c2cnc(N)nc2)cc1,O=CN1CCCC1,12,21,0
243,COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1,COc1ccc(-c2cnc(N)nc2)cc1.Cc1ccc(F)cc1,CC(=O)N1CCCC1,12,20,0
244,COc1ccc(-c2cnc(N)nc2[C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)cc1,COc1ccccc1.O=C(CCc1ccc(F)cc1)N1CCCC1,Nc1ncccn1,5,23,0
245,Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1,Cc1nncs1.Fc1ccccc1,NC(=O)CCS,4,11,0
246,Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1,Cc1nnc(S)s1.Fc1ccccc1,CCC(N)=O,5,12,0
247,Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1,Cc1nncs1.O=CNc1cccc(F)c1,CCS,4,7,0
248,Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1,CSc1nnc(C)s1.Fc1ccccc1,CC(N)=O,6,13,0
249,Cc1nnc(SCCC(=O)Nc2cccc(F)c2)s1,CCSc1nnc(C)s1.Fc1ccccc1,NC=O,7,14,0
250,COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1,COc1cccc(CNC=O)c1.COc1cccc2ccccc12,O=CN1CCCCC1,5,21,0
251,COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1,COc1ccc(C(=O)N2CCCCC2)c2ccccc12.COc1ccccc1,CNC=O,11,26,0
252,COc1cccc(CNC(=O)C2CCN(C(=O)c3ccc(OC)c4ccccc34)CC2)c1,COc1ccc(C(=O)N2CCCCC2)c2ccccc12.COc1cccc(C)c1,NC=O,11,27,0
253,COc1ccc(-c2noc(C[NH+]3CCN(Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1,COc1ccccc1.Cn1c(=O)n(CN2CC[NH+](C)CC2)c2ccccc21,c1ncon1,5,18,0
254,COc1ccc(-c2noc(C[NH+]3CCN(Cn4c(=O)n(C)c5ccccc54)CC3)n2)cc1,COc1ccccc1.Cn1c(=O)n(CN2CC[NH+]CC2)c2ccccc21,Cc1ncno1,5,17,0
255,CCc1ccc([C@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)cc1,CC(C)(C)n1cccn1.CCc1ccccc1,O=CNCCO,6,14,0
256,CCc1ccc([C@H](CO)NC(=O)c2cnn(C(C)(C)C)c2)cc1,CC(C)(C)n1cccn1.CCc1ccc(CCO)cc1,NC=O,6,15,0
257,Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1,CN(C)S(=O)(=O)c1ccc2c(ccn2Cc2ccccc2)c1.Cc1ccc(C)cc1,NC=O,13,27,0
258,Cc1ccc(CNC(=O)c2cc3cc(S(=O)(=O)N(C)C)ccc3n2Cc2ccccc2)cc1,CN(C)S(=O)(=O)c1ccc2c(ccn2Cc2ccccc2)c1.Cc1ccccc1,CNC=O,13,26,0
259,CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1,CC[S@](=O)[C@@H]1CCCCC1.Fc1ccc(-c2ccco2)cc1,NC=O,9,18,0
260,CC[S@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(-c2ccc(F)cc2)o1,CC[S@](=O)[C@@H]1CCCC[C@@H]1NC=O.Fc1ccccc1,c1ccoc1,11,17,0
261,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,CCCOc1cccnc1.Fc1ccc(-c2cscn2)cc1,NC=O,9,20,0
262,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,Fc1ccccc1.NC(=O)CCCOc1cccnc1,c1cscn1,4,19,0
263,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,Fc1ccc(-c2cscn2)cc1.Oc1cccnc1,CCCC(N)=O,9,17,0
264,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,CC(=O)Nc1scnc1-c1ccc(F)cc1.c1ccncc1,CCO,2,20,0
265,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,O=CNc1scnc1-c1ccc(F)cc1.Oc1cccnc1,CCC,1,20,0
266,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,O=CNc1scnc1-c1ccc(F)cc1.c1ccncc1,CCCO,1,19,0
267,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,CCOc1cccnc1.Fc1ccc(-c2cscn2)cc1,CC(N)=O,9,19,0
268,O=C(CCCOc1cccnc1)Nc1scnc1-c1ccc(F)cc1,COc1cccnc1.Fc1ccc(-c2cscn2)cc1,CCC(N)=O,9,18,0
269,O=C(NCc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1,C1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1.c1ccccc1,CNC=O,11,18,0
270,O=C(NCc1ccccc1)C1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1,C1CC[NH+]([C@@H]2CCC[C@@H](C3CC3)C2)CC1.Cc1ccccc1,NC=O,11,19,0
271,O=C(Nc1ccccc1F)c1cc(=O)c2cc(Cl)cc(Cl)c2o1,Fc1ccccc1.O=c1ccoc2c(Cl)cc(Cl)cc12,NC=O,6,10,0
272,CC(C)N(C)C(=O)[C@@H]1CSCN1C(=O)c1cc2ccccc2[nH]1,CC(C)N(C)C=O.c1ccc2[nH]ccc2c1,O=CN1CCSC1,5,12,0
273,CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1,NC(=O)c1cccc(F)n1.c1ccncc1,CC(C)C,2,12,0
274,CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1,CC(C)(C)c1ccncc1.Fc1ccccn1,NC=O,3,15,0
275,CC(C)(CNC(=O)c1cccc(F)n1)c1ccncc1,CC(C)c1ccncc1.Fc1ccccn1,CNC=O,1,14,0
276,Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O,Cn1cnn(-c2ccc(N)cc2)c1=O.Fc1ccccc1,Cc1cnnc1,9,18,0
277,Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O,CNc1ccc(-n2ncn(C)c2=O)cc1.Fc1ccccc1,c1cnnc1,10,19,0
278,Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O,Cn1cnn(-c2ccccc2)c1=O.Fc1ccccc1,NCc1cnnc1,8,17,0
279,Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O,Cn1cnnc1=O.NCc1cnn(-c2ccc(F)cc2)c1,c1ccccc1,4,16,0
280,Cn1cnn(-c2ccc(NCc3cnn(-c4ccc(F)cc4)c3)cc2)c1=O,Cc1cnn(-c2ccc(F)cc2)c1.Cn1cnnc1=O,Nc1ccccc1,4,15,0
281,O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC=CCC1,C1=CCCCC1.c1ccc(Oc2ccccc2)cc1,NC=O,3,14,0
282,O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC=CCC1,NC(=O)[C@H]1CC=CCC1.Oc1ccccc1,c1ccccc1,2,13,0
283,COC(=O)c1ccccc1S(=O)(=O)Nc1cccc(O)c1,COC(=O)c1ccccc1.Oc1ccccc1,N[SH](=O)=O,9,15,0
284,C[C@@H](NC(=O)C1CCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1,CCNC(=O)C1CCC1.C[NH+]1CCC[C@H]1c1ccc(Cl)cc1,NC=O,1,13,0
285,C[C@@H](NC(=O)C1CCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1,C[NH+]1CCC[C@H]1c1ccc(Cl)cc1.NC(=O)C1CCC1,CCC(N)=O,4,15,0
286,C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,Nc1ccc(C(=O)O)cc1.O=[N+]([O-])c1cccc(Cl)c1,CCC(N)=O,7,16,0
287,C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,CCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl.Nc1ccccc1,O=CO,1,19,0
288,C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,CCOC(=O)c1ccc(N)cc1.O=[N+]([O-])c1cccc(Cl)c1,NC=O,1,18,0
289,C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl,Nc1ccccc1.O=CNc1ccc([N+](=O)[O-])cc1Cl,CCOC=O,4,8,0
290,C[C@H]1CCN(C(=O)N[C@@H](C)c2cccc(N3CCOC3=O)c2)[C@@H](C)C1,CCNC(=O)N1CC[C@H](C)C[C@@H]1C.O=C1NCCO1,c1ccccc1,8,18,0
291,CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1,CC[NH+](CC)[C@@H]1CCc2c(cnn2C)C1.Cc1cccs1,NC=O,10,19,0
292,CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)NCc3cccs3)nn2C)C1,CC[NH+](CC)[C@@H]1CCc2c(cnn2C)C1.c1ccsc1,CNC=O,10,18,0
293,COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC,COc1ccccc1OC.O=CNCC(F)(F)F,O=C1CCCN1,5,11,0
294,COc1ccc(N2C[C@@H](C(=O)NCC(F)(F)F)CC2=O)cc1OC,CC(F)(F)F.COc1ccc(N2CCCC2=O)cc1OC,NC=O,8,20,0
295,CCCN(C[C@@H]1CCCCO1)c1cc(C)c([N+](=O)[O-])cn1,C1CCOCC1.Cc1ccncc1[N+](=O)[O-],CCCNC,3,9,0
296,CCn1ccnc1SCCN1C(=O)NC2(CCCC2)C1=O,CCn1ccnc1.O=C1NC(=O)C2(CCCC2)N1,CCS,6,17,0
297,Cc1nc(NC(=O)c2cccc(SC(C)C)c2)sc1C,CC(C)Sc1ccccc1.Cc1ncsc1C,NC=O,8,13,0
298,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1,NC(=O)CCc1c[nH]c2ccccc12.c1cc2c(s1)CCNC2,c1ccncc1,13,21,0
299,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1,CCc1c[nH]c2ccccc12.c1cc2c(s1)CCNC2,O=CNc1cccnc1,7,15,0
300,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1,CCc1c[nH]c2ccccc12.c1ccc(N2CCc3sccc3C2)nc1,NC=O,11,21,0
301,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1,Cc1c[nH]c2ccccc12.c1ccc(N2CCc3sccc3C2)nc1,CC(N)=O,11,20,0
302,O=C(CCc1c[nH]c2ccccc12)Nc1ccc(N2CCc3sccc3C2)nc1,c1ccc(N2CCc3sccc3C2)nc1.c1ccc2[nH]ccc2c1,CCC(N)=O,11,19,0
303,CCCCCNC(=O)N(C)CCS(C)(=O)=O,CCCCC.CCS(C)(=O)=O,CNC(N)=O,4,10,0
304,CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1,CCc1cc(C)on1.CCc1ccc(F)c(F)c1,NC=O,7,9,0
305,CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1,CCc1cc(C)on1.Fc1ccccc1F,CCNC=O,7,12,0
306,Cc1cc(NC(=O)[C@H](c2ccccc2)N2CC[N@H+](C)C[C@@H]2C)no1,C[C@H]1C[NH+](C)CCN1Cc1ccccc1.Cc1ccno1,NC=O,8,18,0
307,CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1,CCc1nnc(-c2cccs2)o1.Cc1ccc(F)cc1,CC(C)CN,1,17,0
308,CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1,Cc1ccc(F)cc1.c1csc(-c2nnco2)c1,CCNCC(C)C,5,15,0
309,CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1,C[C@@H](N)c1nnc(-c2cccs2)o1.Fc1ccccc1,CCC(C)C,2,17,0
310,CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1,CC(C)CCc1ccc(F)cc1.c1csc(-c2nnco2)c1,CCN,3,19,0
311,CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1,CCN[C@H](Cc1ccc(F)cc1)C(C)C.c1ccsc1,c1nnco1,13,18,0
312,CC(C)[C@@H](Cc1ccc(F)cc1)N[C@H](C)c1nnc(-c2cccs2)o1,CCc1nnc(-c2cccs2)o1.Fc1ccccc1,CC(C)[C@@H](C)N,1,16,0
313,CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1,COCc1ccc(F)cc1.c1ccc(-n2cncn2)cc1,CNC,2,17,0
314,CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1,Cc1ccc(-n2cncn2)cc1.Fc1ccccc1,COCCN,4,15,0
315,CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1,Fc1ccccc1.NCc1ccc(-n2cncn2)cc1,CCOC,4,16,0
316,CO[C@@H](CNCc1ccc(-n2cncn2)cc1)c1ccc(F)cc1,Fc1ccccc1.c1ccc(-n2cncn2)cc1,CNCCOC,4,14,0
317,O=C(c1ccc(N2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1,O=C1CCC(=O)N1.O=CN1CCN(S(=O)(=O)c2ccccc2Cl)CC1,c1ccccc1,1,24,0
318,CN(C(=O)c1ccc(F)c(F)c1F)c1cc(F)ccc1F,Fc1ccc(F)cc1.Fc1cccc(F)c1F,CNC=O,6,12,0
319,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,CSc1nnc(Cc2csc(C)n2)o1.c1ccccc1,CS=O,10,17,0
320,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,C[S@](=O)c1ccccc1.Cc1csc(C)n1,CSc1nnco1,4,9,0
321,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,Cc1nc(Cc2nnco2)cs1.c1ccccc1,O=SCCS,8,15,0
322,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,Cc1nc(Cc2nnco2)cs1.O=Sc1ccccc1,CCS,8,13,0
323,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,Cc1nccs1.O=[S@@](CCS)c1ccccc1,Cc1nnco1,3,10,0
324,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,Cc1nc(Cc2nnc(S)o2)cs1.c1ccccc1,CCS=O,9,16,0
325,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,Cc1csc(C)n1.O=[S@@](CCS)c1ccccc1,c1nnco1,4,11,0
326,Cc1nc(Cc2nnc(SCC[S@](=O)c3ccccc3)o2)cs1,CC[S@](=O)c1ccccc1.Cc1csc(C)n1,Sc1nnco1,4,10,0
327,O=C(N/N=C/c1ccc(Cl)cc1Cl)Nc1ccccc1,Clc1cccc(Cl)c1.c1ccccc1,C=NNC(N)=O,4,11,0
328,CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2,CCOC(=O)c1csc2c1CCCC2.Clc1cccc(N2CC[NH+]CC2)c1,CC(N)=O,6,23,0
329,CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3cccc(Cl)c3)CC2)sc2c1CCCC2,CCOC(=O)c1csc2c1CCCC2.C[NH+]1CCN(c2cccc(Cl)c2)CC1,NC=O,6,24,0
330,Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1,CCCN1CCCC1=O.Cc1ccc(N2C(=O)CC[C@H]2c2cccs2)cc1,NC=O,9,26,0
331,Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1,Cc1ccc(N2C(=O)C[C@H](C(N)=O)[C@H]2c2cccs2)cc1.O=C1CCCN1,CCC,12,26,0
332,Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1,Cc1ccc(N2C(=O)CC[C@H]2c2cccs2)cc1.O=C1CCCN1,CCCNC=O,9,23,0
333,Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1,CN1CCCC1=O.Cc1ccc(N2C(=O)CC[C@H]2c2cccs2)cc1,CCNC=O,9,24,0
334,Cc1ccc(N2C(=O)C[C@H](C(=O)NCCCN3CCCC3=O)[C@H]2c2cccs2)cc1,CCN1CCCC1=O.Cc1ccc(N2C(=O)CC[C@H]2c2cccs2)cc1,CNC=O,9,25,0
335,COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1,COc1ccccc1.Fc1ccccc1Cl,COC(=O)CNC=O,3,13,0
336,COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1,COC(=O)Cc1ccc(Cl)c(F)c1.c1ccccc1,NC(=O)CO,4,16,0
337,COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1,COC(=O)Cc1ccc(Cl)c(F)c1.Oc1ccccc1,CC(N)=O,4,17,0
338,COC(=O)[C@H](NC(=O)COc1ccccc1)c1ccc(Cl)c(F)c1,COC(=O)Cc1ccc(Cl)c(F)c1.COc1ccccc1,NC=O,4,18,0
339,C[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])C(=O)[O-],CC(C)C(=O)[O-].[NH3+][C@@H]1CCCCCC1,NC=O,2,13,0
340,C[C@H](CNC(=O)[C@H]1CCCCC[C@@H]1[NH3+])C(=O)[O-],CCC(=O)[O-].[NH3+][C@@H]1CCCCCC1,CNC=O,1,12,0
341,C1=C(c2cccc(C[NH2+]Cc3ccc4c(c3)OCO4)c2)CN=N1,C1=C(c2ccccc2)CN=N1.c1ccc2c(c1)OCO2,C[NH2+]C,6,16,0
342,Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1,Cc1ccc(S(N)(=O)=O)c(C)c1.Fc1ccccc1,CCC(=O)NN,8,16,0
343,Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1,CNS(=O)(=O)c1ccc(C)cc1C.Fc1ccccc1,CC(=O)NN,9,17,0
344,Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1,Cc1cccc(C)c1.O=CNNc1ccc(F)cc1,CCN[SH](=O)=O,4,9,0
345,Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1,CCNS(=O)(=O)c1ccc(C)cc1C.Fc1ccccc1,NNC=O,10,18,0
346,Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1,CCC(=O)NNc1ccc(F)cc1.Cc1cccc(C)c1,N[SH](=O)=O,4,11,0
347,Cc1ccc(S(=O)(=O)NCCC(=O)NNc2ccc(F)cc2)c(C)c1,CC(=O)NNc1ccc(F)cc1.Cc1cccc(C)c1,CN[SH](=O)=O,4,10,0
348,COC(=O)N[C@H](Cc1ccccc1)C(N)=O,COC(N)=O.c1ccccc1,CCC(N)=O,4,8,0
349,C[NH+]1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1,C1CCOC1.C[NH+]1CCC(Cc2ncon2)CC1,c1ccsc1,3,14,0
350,C[NH+]1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1,C[NH+]1CCCCC1.c1csc([C@@H]2CCCO2)c1,Cc1ncon1,4,9,0
351,C[NH+]1CCC(Cc2noc(-c3ccc([C@@H]4CCCO4)s3)n2)CC1,CC1CC[NH+](C)CC1.c1csc([C@@H]2CCCO2)c1,c1ncon1,5,10,0
352,COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1,CC(C)c1ncno1.COc1ccccc1OCC(=O)N1CCNCC1,c1cc[nH+]cc1,5,23,0
353,COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1,CC(C)c1nc(-c2ccc[nH+]c2)no1.COc1ccccc1O,CC(=O)N1CCNCC1,9,22,0
354,COc1ccccc1OCC(=O)N1CCN(c2ccc(-c3noc(C(C)C)n3)c[nH+]2)CC1,CC(C)c1nc(-c2ccc[nH+]c2)no1.COc1ccccc1OC,O=CN1CCNCC1,9,23,0
355,CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1,CCc1ccccc1.O=CN[C@@H]1CC=CCC1,CCC,5,9,0
356,CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1,C1=CCCCC1.CCc1ccc(CC)cc1,CC(N)=O,3,12,0
357,CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1,C1=CCCCC1.CCc1ccc(C(C)C)cc1,NC=O,3,14,0
358,CCc1ccc([C@H](C)CC(=O)N[C@@H]2CC=CCC2)cc1,C1=CCCCC1.CCc1ccccc1,CCCC(N)=O,3,11,0
359,CCOc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3S(C)(=O)=O)sc2c1,CCOc1ccc2ncsc2c1.CS(=O)(=O)c1ccccc1,O=CNC[C@@H]1CCCO1,8,21,0
360,O=C(N[C@@H](CO)c1ccco1)c1c[nH]nc1-c1ccc(Cl)cc1,Clc1ccc(-c2cc[nH]n2)cc1.OCCc1ccco1,NC=O,9,14,0
361,O=C(N[C@@H](CO)c1ccco1)c1c[nH]nc1-c1ccc(Cl)cc1,Clc1ccccc1.O=CN[C@@H](CO)c1ccco1,c1cn[nH]c1,4,8,0
362,CSCC[C@@H](C)N(C)C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1,CCCCSC.Clc1ccc(Cc2ncon2)cc1,CNC(N)=O,4,11,0
363,Cc1cccc2sc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nc12,Cc1cccc2scnc12.O=C1NC(=O)[C@@H]2CC=CC[C@@H]12,CCC(N)=O,7,20,0
364,Cc1cccc2sc(NC(=O)[C@H](C)N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)nc12,CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O.Cc1cccc2scnc12,NC=O,1,20,0
365,Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1,Cn1cc(N2CCCCC2)cn1.N#Cc1cccnc1,NCCNC(N)=O,8,19,0
366,Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1,CCNc1ncccc1C#N.Cn1cc(N2CCCCC2)cn1,NC(N)=O,8,22,0
367,Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1,Cn1cc(N2CCC[C@@H](NC(N)=O)C2)cn1.N#Cc1cccnc1,CCN,12,23,0
368,Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1,CNc1ncccc1C#N.Cn1cc(N2CCCCC2)cn1,CNC(N)=O,8,21,0
369,Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1,Cn1cccn1.N#Cc1cccnc1NCCNC(N)=O,C1CCNCC1,3,20,0
370,Cn1cc(N2CCC[C@@H](NC(=O)NCCNc3ncccc3C#N)C2)cn1,Cn1cc(N2CCCCC2)cn1.N#Cc1cccnc1N,CCNC(N)=O,8,20,0
371,C#CCOCC1CCN(C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)CC1,C#CCOCC1CCN(C=O)CC1.C[C@@H]1CCCCN1[SH](=O)=O,c1ccccc1,9,20,0
372,CCOC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1,CCOC[C@@H]1CCC[NH+]C1.Clc1cccc(Cl)c1,Cc1nnco1,8,14,0
373,CCOC[C@@H]1CCC[N@@H+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)C1,CCOC[C@@H]1CCC[NH+](C)C1.Clc1cccc(Cl)c1,c1nnco1,9,15,0
374,O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccccc1,O=c1c2ccccc2ncn1-c1ccc(F)cc1F.c1ccccc1,O=CCS,9,22,0
375,O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1ccccc1,O=c1c2ccccc2nc(S)n1-c1ccc(F)cc1F.c1ccccc1,CC=O,10,23,0
376,C[C@@H]([NH2+][C@H]1CCCc2cccnc21)c1ccncc1,c1ccncc1.c1cnc2c(c1)CCCC2,CC[NH2+],2,15,0
377,C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(-n2cncn2)cc1,CCc1ccc(-n2cncn2)cc1.c1cc2c(s1)CCCC2,NC=O,1,14,0
378,C[C@H](NC(=O)c1cc2c(s1)CCCC2)c1ccc(-n2cncn2)cc1,c1cc2c(s1)CCCC2.c1ccc(-n2cncn2)cc1,CCNC=O,1,16,0
379,c1ccc2c(c1)CC(CC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2,C1CC[NH+]2CCC[C@@H]2C1.c1ccc2c(c1)CCC2,CC[NH2+],4,16,0
380,C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1,C=C1c2ccccc2C(=O)N1CC.c1ccc2[nH]cnc2c1,CCNC=O,12,18,0
381,C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1,C=C1c2ccccc2C(=O)N1C.CCc1nc2ccccc2[nH]1,CC(N)=O,11,13,0
382,C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1,C=C1NC(=O)c2ccccc21.CCc1nc2ccccc2[nH]1,CCC(N)=O,10,12,0
383,C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1,C=C1NC(=O)c2ccccc21.c1ccc2[nH]cnc2c1,CCNC(=O)CC,10,16,0
384,C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1,C=C1c2ccccc2C(=O)N1C.c1ccc2[nH]cnc2c1,CCNC(C)=O,11,17,0
385,C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1,C=C1c2ccccc2C(=O)N1CC.CCc1nc2ccccc2[nH]1,NC=O,12,14,0
386,Cc1ccc(N2C[C@H](C(=O)N(c3ccc(C)cc3)[C@@H]3C=CS(=O)(=O)C3)CC2=O)cc1,Cc1ccc(N(C=O)[C@@H]2C=CS(=O)(=O)C2)cc1.Cc1ccccc1,O=C1CCCN1,6,21,0
387,O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1,Cc1nc2ccccc2s1.c1ccc(SC[C@H]2CCCO2)cc1,O=CN1CCNCC1,3,19,0
388,O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1,O=CN1CCN(Cc2nc3ccccc3s2)CC1.SC[C@H]1CCCO1,c1ccccc1,5,8,0
389,O=C(c1ccccc1SC[C@H]1CCCO1)N1CCN(Cc2nc3ccccc3s2)CC1,c1ccc(SC[C@H]2CCCO2)cc1.c1ccc2scnc2c1,CN1CCN(C=O)CC1,3,18,0
390,CC[C@H](NC(=O)C(=O)Nc1ccc(C(N)=O)c(C)c1)c1c(C)nn(C)c1C,CCCc1c(C)nn(C)c1C.Cc1ccccc1C(N)=O,NC(=O)C(N)=O,2,14,0
391,COc1cc(C[NH2+]C[C@@H](C)C[C@@H](C)O)cc(Br)c1O,CCC[C@@H](C)O.COc1cccc(Br)c1O,C[NH2+]C,4,11,0
392,CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21,CC1(C)CCCc2ccccc21.O=c1nncc2ccccc12,CNC(C)=O,5,22,0
393,CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21,C[C@H]1CCC(C)(C)c2ccccc21.O=c1nncc2ccccc12,CC(N)=O,6,23,0
394,CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21,C[C@H]1CCC(C)(C)c2ccccc21.Cn1ncc2ccccc2c1=O,NC=O,6,24,0
395,CC1(C)CC[C@H](CNC(=O)Cn2ncc3ccccc3c2=O)c2ccccc21,CC1(C)CCCc2ccccc21.Cn1ncc2ccccc2c1=O,CNC=O,5,23,0
396,Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1,CC(C)(C)C(=O)N1CCCCC1.Cn1ccnc1C(=O)c1ccccc1,NC=O,9,23,0
397,Cn1ccnc1C(=O)c1ccc(NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)cc1,CC(C)(C)C(=O)N1CCC(C(N)=O)CC1.Cn1ccnc1C=O,c1ccccc1,12,21,0
398,Cc1ccc(NC(=O)C(=O)N(C)Cc2ccccc2)c(C)c1,Cc1cccc(C)c1.Cc1ccccc1,CNC(=O)C(N)=O,4,12,0
399,Cc1cc(C(=O)Nc2ccc(OCC(N)=O)cc2)c(C)n1C1CC1,Cc1ccc(C)n1C1CC1.NC(=O)COc1ccccc1,NC=O,3,18,0