uuid,molecule,fragments,linker,anchor_1,anchor_2,energy
0,C[C@H](NC(=O)NCCc1ccccn1)c1ccc(F)cc1Cl,CCc1ccccn1.Fc1cccc(Cl)c1,CCNC(N)=O,4,13,0
1,C[C@H](NC(=O)NCCc1ccccn1)c1ccc(F)cc1Cl,Cc1ccccn1.Fc1cccc(Cl)c1,CCNC(=O)NC,4,12,0
2,C[C@H](NC(=O)NCCc1ccccn1)c1ccc(F)cc1Cl,CCc1ccc(F)cc1Cl.CCc1ccccn1,NC(N)=O,1,15,0
3,C[C@H](NC(=O)NCCc1ccccn1)c1ccc(F)cc1Cl,CCc1ccc(F)cc1Cl.Cc1ccccn1,CNC(N)=O,1,14,0
4,C[C@H](NC(=O)NCCc1ccccn1)c1ccc(F)cc1Cl,CCc1ccc(F)cc1Cl.c1ccncc1,CCNC(N)=O,1,13,0
5,C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccncc1,CCCCc1cccc(F)c1.c1ccncc1,NC=O,1,13,0
6,C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccncc1,Cc1cccc(F)c1.c1ccncc1,CC(C)C(N)=O,6,10,0
7,C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccncc1,CCc1cccc(F)c1.c1ccncc1,CCC(N)=O,7,11,0
8,C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccncc1,Fc1ccccc1.O=CNc1ccncc1,CCCC,5,8,0
9,C[C@@H](CCc1cccc(F)c1)C(=O)Nc1ccncc1,Cc1cccc(F)c1.O=CNc1ccncc1,CCC,6,9,0
10,O=C(/C=C/c1ccccc1)c1c([O-])[nH]c(=O)n(CCc2ccccc2)c1=O,O=c1cc([O-])[nH]c(=O)n1CCc1ccccc1.c1ccccc1,C=CC=O,5,20,0
11,C[C@@H]1Nc2ncnn2[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]1C(=O)Nc1ccccc1,C[C@H]1C[C@H](c2ccc([N+](=O)[O-])cc2)n2ncnc2N1.c1ccccc1,NC=O,18,22,0
12,CC(C)([C@@H](O)CC1CCC1)[NH+]1CCCCCC1,C1CCC[NH+]CC1.CC1CCC1,CC(C)CO,3,9,0
13,COc1ccccc1CCC(=O)c1cccc(F)c1,COc1ccccc1.Fc1ccccc1,CCC=O,7,13,0
14,COc1ccccc1CCC(=O)c1cccc(F)c1,COc1ccccc1C.Fc1ccccc1,CC=O,8,14,0
15,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,C[C@@H](Oc1ccccc1C#N)C(N)=O.Clc1ccccc1,CC1CCOCC1,13,19,0
16,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,CC1(c2cccc(Cl)c2)CCOCC1.N#Cc1ccccc1O,CCC(N)=O,7,22,0
17,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,N#Cc1ccccc1.O=CNCC1(c2cccc(Cl)c2)CCOCC1,CCO,7,9,0
18,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,Clc1cccc(C2CCOCC2)c1.N#Cc1ccccc1,CNC(=O)[C@@H](C)O,6,20,0
19,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,CCOc1ccccc1C#N.Clc1cccc(C2CCOCC2)c1,CNC=O,1,17,0
20,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,CC1(c2cccc(Cl)c2)CCOCC1.N#Cc1ccccc1,C[C@@H](O)C(N)=O,7,21,0
21,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,CC1(c2cccc(Cl)c2)CCOCC1.CCOc1ccccc1C#N,NC=O,1,18,0
22,C[C@@H](Oc1ccccc1C#N)C(=O)NCC1(c2cccc(Cl)c2)CCOCC1,Clc1cccc(C2CCOCC2)c1.N#Cc1ccccc1O,CCC(=O)NC,6,21,0
23,C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CCCN(c2ncccn2)C1,CNC(=O)N1CCc2ccccc2[C@H]1C.c1cncnc1,C1CCNCC1,14,18,0
24,Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)c1,Cc1cccc(C)c1.NC1=NS(=O)(=O)c2ccccc21,CCC(N)=O,4,13,0
25,Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)c1,CCNC1=NS(=O)(=O)c2ccccc21.Cc1cccc(C)c1,NC=O,4,15,0
26,Cc1ccc(NC(=O)CCNC2=NS(=O)(=O)c3ccccc32)c(C)c1,CNC1=NS(=O)(=O)c2ccccc21.Cc1cccc(C)c1,CC(N)=O,4,14,0
27,CC(C)c1cc(C(=O)N(C)C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]1,CC(C)(C)OC(=O)N1CCCCC1.CC(C)c1ccn[nH]1,CNC=O,10,18,0
28,CC(=O)NC1(c2noc(-c3scnc3C3CC3)n2)CCCCCC1,CC(=O)NC1CCCCCC1.c1nc(C2CC2)cs1,c1ncon1,4,17,0
29,CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1SCCc2ccccc21,CC1CC[NH+](C)CC1.c1ccc2c(c1)CCSC2,CNC=O,5,17,0
30,CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1SCCc2ccccc21,C[NH+]1CCCCC1.c1ccc2c(c1)CCSC2,CN(C)C=O,4,16,0
31,C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1cccs1,CC(O)c1cccs1.Fc1cccc(Cl)c1,CNC=O,1,15,0
32,C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1cccs1,NC(=O)c1c(F)cccc1Cl.c1ccsc1,CC(C)O,2,14,0
33,C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1cccs1,CC(C)(O)c1cccs1.Fc1cccc(Cl)c1,NC=O,3,16,0
34,COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cccc3s2)cc1OC,COc1ccccc1OC.Cc1cccc2scnc12,O=CNCc1cccnc1,5,17,0
35,COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1,COc1cc(OC)cc([C@H]2CC[NH+](C)C2)c1.c1ccoc1,CNC=O,13,19,0
36,COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1,COc1cc(OC)cc([C@H]2CC[NH+]C2)c1.c1ccoc1,CNC(C)=O,12,18,0
37,COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1,COc1cc(OC)cc([C@H]2CC[NH+]C2)c1.Cc1ccco1,CC(N)=O,12,19,0
38,COc1cc(OC)cc([C@H]2CC[N@H+](CC(=O)NCc3ccco3)C2)c1,COc1cc(OC)cc([C@H]2CC[NH+](C)C2)c1.Cc1ccco1,NC=O,13,20,0
39,COC(=O)CNC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1,COC(C)=O.N#Cc1ccc(C[NH+]2CCCNCC2)cc1,CCC(N)=O,4,16,0
40,COC(=O)CNC(=O)[C@H](C)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1,CCN1CCC[NH+](Cc2ccc(C#N)cc2)CC1.COC(C)=O,NC=O,4,6,0
41,COc1ccc(C)cc1[N-]S(=O)(=O)c1cncc(F)c1,COc1ccc(C)cc1.Fc1cccnc1,[N-][SH](=O)=O,8,14,0
42,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccc(F)cc1,NC(=O)Cc1ccc(F)cc1.O=[SH](=O)N1CCCCCC1,COc1ccccc1,10,12,0
43,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccc(F)cc1,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1.Fc1ccccc1,CC(N)=O,17,22,0
44,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)Cc1ccc(F)cc1,COc1ccc(S(=O)(=O)N2CCCCCC2)cc1.Cc1ccc(F)cc1,NC=O,17,23,0
45,Fc1cccc([C@@H]2CCC[N@H+]2Cc2nc(Cc3ccccc3)no2)c1,C[NH+]1CCC[C@H]1c1cccc(F)c1.c1ccccc1,Cc1ncon1,11,16,0
46,Fc1cccc([C@@H]2CCC[N@H+]2Cc2nc(Cc3ccccc3)no2)c1,Cc1ccccc1.Fc1cccc([C@@H]2CCC[NH+]2)c1,Cc1ncno1,10,16,0
47,Fc1cccc([C@@H]2CCC[N@H+]2Cc2nc(Cc3ccccc3)no2)c1,C[NH+]1CCC[C@H]1c1cccc(F)c1.Cc1ccccc1,c1ncon1,11,17,0
48,CCN(CC)C(=O)c1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1,CC1Cc2ccccc2C(=O)O1.CCN(CC)C(=O)c1ccccc1,NC=O,10,14,0
49,CCN(CC)C(=O)c1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1,CCN(C=O)CC.C[C@]1(C(N)=O)Cc2ccccc2C(=O)O1,c1ccccc1,5,11,0
50,Cc1cc(CN2CCN(C(=O)NCC(=O)Nc3ccc(Cl)cc3)CC2)no1,CNC(=O)N1CCN(Cc2cc(C)on2)CC1.Clc1ccccc1,NC=O,12,21,0
51,Cc1cc(CN2CCN(C(=O)NCC(=O)Nc3ccc(Cl)cc3)CC2)no1,Cc1cc(CN2CCN(C(N)=O)CC2)no1.Clc1ccccc1,CC(N)=O,11,20,0
52,O=C(Oc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1,Fc1ccccc1.O=C1NCCN1c1ccccc1,O=CO,5,16,0
53,O=C(Oc1cccc(F)c1)c1ccc(N2CCNC2=O)cc1,O=C1NCCN1.O=COc1cccc(F)c1,c1ccccc1,1,15,0
54,O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,Clc1ccccc1.NC(=O)CCn1ccccc1=O,C[NH+]1CCCCC1,4,18,0
55,O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,CCn1ccccc1=O.Clc1ccc(C[NH+]2CCCCC2)cc1,NC=O,9,22,0
56,O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,Clc1ccc(C[NH+]2CCCCC2)cc1.O=c1ccccn1,CCC(N)=O,9,20,0
57,O=C(CCn1ccccc1=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1,Clc1ccc(C[NH+]2CCCCC2)cc1.Cn1ccccc1=O,CC(N)=O,9,21,0
58,CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1Cc1ccccc1,Cc1cccs1.Cc1ccn(Cc2ccccc2)n1,CCNC(N)=O,3,17,0
59,CCN(Cc1cccs1)C(=O)Nc1cc(C)nn1Cc1ccccc1,CCN(Cc1cccs1)C(N)=O.Cc1ccccc1,Cc1ccnn1,11,16,0
60,Cc1cc(C)n2nc(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)nc2n1,Cc1cc(C)n2ncnc2n1.FC(F)(F)Oc1ccccc1,CN(C)C=O,7,19,0
61,Cc1cc(C)n2nc(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)nc2n1,Cc1cc(C)n2ncnc2n1.Cc1ccc(OC(F)(F)F)cc1,CNC=O,7,20,0
62,NNc1cc(COCc2ccc(Cl)cc2)ccc1[N+](=O)[O-],Clc1ccccc1.NNc1ccccc1[N+](=O)[O-],COC,4,11,0
63,CCOC(=O)[C@@H](F)Oc1ccccc1C,CCOC=O.Cc1ccccc1,OCF,3,11,0
64,CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2F)C1,CCNC(=O)N1CCCC1.Fc1ccccc1,CC[C@@H](C)[NH2+],8,16,0
65,CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2F)C1,CCNC(=O)N1CC[C@H]([NH2+])C1.Fc1ccccc1,CCCC,9,17,0
66,CCNC(=O)N1CC[C@H]([NH2+][C@H](C)CCc2ccccc2F)C1,CCNC(=O)N1CC[C@H]([NH2+])C1.Cc1ccccc1F,CCC,9,18,0
67,C[C@H](c1ccccn1)[C@@H](Br)c1ccc2c(c1)CCC2,c1ccc2c(c1)CCC2.c1ccncc1,CCCBr,5,12,0
68,c1cncc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1,c1ccncc1.c1ncn(C[C@H]2CNCCO2)n1,Cc1ncno1,4,13,0
69,c1cncc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1,Cc1nc(-c2cccnc2)no1.Cn1cncn1,C1COCCN1,9,16,0
70,c1cncc(-c2noc(CN3CCO[C@@H](Cn4cncn4)C3)n2)c1,CN1CCO[C@@H](Cn2cncn2)C1.c1ccncc1,c1ncon1,4,14,0
71,COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O,COc1ccccc1.O=C1CN=C(O)N1Cc1ccco1,CCC(N)=O,7,10,0
72,COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O,COc1ccccc1.C[C@@H]1N=C(O)N(Cc2ccco2)C1=O,CC(N)=O,7,11,0
73,COc1ccccc1NC(=O)CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O,CC[C@@H]1N=C(O)N(Cc2ccco2)C1=O.COc1ccccc1,NC=O,7,12,0
74,CCN(C(=O)Nc1ccc(F)nc1)[C@@H]1CCS(=O)(=O)C1,Fc1ccccn1.O=S1(=O)CCCC1,CCNC(N)=O,4,12,0
75,COc1ccc(C)cc1C1(CNS(=O)(=O)N2CCCCCC2)CCOCC1,COc1ccc(C)cc1.NS(=O)(=O)N1CCCCCC1,CC1CCOCC1,8,12,0
76,Cc1ncccc1NC(=O)NC[C@H]1CCC[C@H]1C(=O)[O-],Cc1ccccn1.O=C([O-])[C@@H]1CCCC1,CNC(N)=O,6,14,0
77,Cc1ncccc1NC(=O)NC[C@H]1CCC[C@H]1C(=O)[O-],C[C@H]1CCC[C@H]1C(=O)[O-].Cc1ccccn1,NC(N)=O,6,15,0
78,O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([O-])nn1,C[C@@H](c1cccs1)[NH+]1CCCC1.[O-]c1cccnn1,NC=O,4,12,0
79,O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)c1ccc([O-])nn1,[O-]c1cccnn1.c1csc(C[NH+]2CCCC2)c1,CNC=O,4,11,0
80,O=c1c2ccccc2cnn1C/C([O-])=N/c1nc([C@H]2CCCO2)n[nH]1,C1CCOC1.N=C([O-])Cn1ncc2ccccc2c1=O,c1nc[nH]n1,3,19,0
81,O=c1c2ccccc2cnn1C/C([O-])=N/c1nc([C@H]2CCCO2)n[nH]1,Cn1ncc2ccccc2c1=O.c1nc([C@H]2CCCO2)n[nH]1,N=C[O-],7,21,0
82,O=c1c2ccccc2cnn1C/C([O-])=N/c1nc([C@H]2CCCO2)n[nH]1,O=c1nncc2ccccc12.c1nc([C@H]2CCCO2)n[nH]1,CC(=N)[O-],7,20,0
83,O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1,C=C(c1ccccc1)C(F)(F)F.C[C@H]1CCN(c2ccccc2)C1,NC=O,5,20,0
84,O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1,CNC(=O)C=C(c1ccccc1)C(F)(F)F.c1ccccc1,C1CCNC1,15,19,0
85,O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1,O=CNC[C@H]1CCN(c2ccccc2)C1.c1ccccc1,C=CC(F)(F)F,1,18,0
86,O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1,C=C(c1ccccc1)C(F)(F)F.c1ccc(N2CCCC2)cc1,CNC=O,5,19,0
87,O=C(/C=C(\c1ccccc1)C(F)(F)F)NC[C@H]1CCN(c2ccccc2)C1,NC(=O)C=C(c1ccccc1)C(F)(F)F.c1ccccc1,C[C@H]1CCNC1,14,18,0
88,CC1(CNC(=O)Cc2cccs2)Cc2ccccc2C1,CC1(C)Cc2ccccc2C1.c1ccsc1,CC(N)=O,2,14,0
89,CC1(CNC(=O)Cc2cccs2)Cc2ccccc2C1,CC1Cc2ccccc2C1.c1ccsc1,CNC(C)=O,1,13,0
90,CC1(CNC(=O)Cc2cccs2)Cc2ccccc2C1,CC1(C)Cc2ccccc2C1.Cc1cccs1,NC=O,2,15,0
91,CC1(CNC(=O)Cc2cccs2)Cc2ccccc2C1,CC1Cc2ccccc2C1.Cc1cccs1,CNC=O,1,14,0
92,CC1(C)C(=O)NCCN1C(=O)[C@H]1CCC(=O)N(Cc2ccccn2)C1,CC1(C)C(=O)NCCN1C=O.Cc1ccccn1,O=C1CCCCN1,9,15,0
93,CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1,CN(C)c1ccccc1.C[C@H](O)CN1CCOCC1,C1CCNC1,7,18,0
94,CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1,C1COCCN1.CN(C)c1cccc([C@H]2CCCN2C)c1,CCO,2,19,0
95,CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1,CN(C)c1cccc([C@H]2CCCN2)c1.CN1CCOCC1,CCO,3,19,0
96,CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1,CN(C)c1ccccc1.OCCN1CCOCC1,CN1CCCC1,7,10,0
97,CN(C)c1cccc([C@H]2CCCN2C[C@H](O)CN2CCOCC2)c1,C1COCCN1.CN(C)c1cccc([C@H]2CCCN2)c1,CC(C)O,2,18,0
98,C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1,C[C@@H]1CCCC1.c1ccc(-c2nccs2)cc1,NC(=O)C(N)=O,5,13,0
99,C[C@H]1CCC[C@H]1NC(=O)C(=O)Nc1cnc(-c2ccccc2)s1,C[C@H]1CCC[C@H]1NC(=O)C(N)=O.c1ccccc1,c1cscn1,11,15,0
100,COCCCNC(=O)c1cc2c3ccccc3n3c(=O)c4c(OC)c(OC)ccc4c(n1)c23,CCCOC.COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3ccnc2c31,NC=O,4,26,0
101,O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,Fc1ccccc1.O=C1CCCN1c1ccc(Cl)cc1,NC=O,4,10,0
102,O=C(Nc1ccc(F)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1,Clc1ccccc1.O=CNc1ccc(F)cc1,O=C1CCCN1,4,8,0
103,CCc1cccc(C)c1NCc1nc(-c2ccc(Cl)cc2)no1,CCc1cccc(C)c1N.Clc1ccccc1,Cc1ncno1,9,14,0
104,CCc1cccc(C)c1NCc1nc(-c2ccc(Cl)cc2)no1,CCc1cccc(C)c1.Clc1ccccc1,NCc1ncno1,8,13,0
105,CCc1cccc(C)c1NCc1nc(-c2ccc(Cl)cc2)no1,CCc1cccc(C)c1NC.Clc1ccccc1,c1ncon1,10,15,0
106,C=CCc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc(OC)c1OC,C=CCc1cccc(OC)c1OC.Nc1ncnc2ccccc12,CN1CCN(C=O)CC1,5,16,0
107,C=CCc1cc(C(=O)N2CCN(Cc3nc(N)c4ccccc4n3)CC2)cc(OC)c1OC,C=CCc1cccc(OC)c1OC.Cc1nc(N)c2ccccc2n1,O=CN1CCNCC1,5,17,0
108,Cc1ccn2c(=O)c(C(=O)N(C)C[C@@H]3CCCO3)cnc2c1,C[C@@H]1CCCO1.Cc1ccn2c(=O)ccnc2c1,CNC=O,4,13,0
109,Cc1ccn2c(=O)c(C(=O)N(C)C[C@@H]3CCCO3)cnc2c1,C1CCOC1.Cc1ccn2c(=O)ccnc2c1,CN(C)C=O,3,12,0
110,Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc1,Cc1cccnc1.O=C(Cc1ccc(-n2cnnn2)cc1)N1CCCCC1,NC=O,4,25,0
111,Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc1,Cc1ccc(-n2cnnn2)cc1.Cc1ccc(NC=O)nc1,O=CN1CCCCC1,6,21,0
112,Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)Cc3ccc(-n4cnnn4)cc3)C2)nc1,Cc1ccc(NC=O)nc1.c1ccc(-n2cnnn2)cc1,CC(=O)N1CCCCC1,6,12,0
113,C[C@@H](CC1CC1)[NH2+][C@H](C)c1ccc(F)cn1,CCCC1CC1.Fc1cccnc1,CC[NH2+],1,10,0
114,O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cccc(F)c2[N+](=O)[O-])CC1,O=[N+]([O-])c1ccccc1.O=[N+]([O-])c1ccccc1F,O=[SH](=O)N1CCNCC1,9,18,0
115,COc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC1(Cl)Cl,COc1ccccc1.ClC1(Cl)CC1c1ccccc1,NC=O,7,12,0
116,CC[C@H]1CCCC[C@H]1NC(=O)NNC(=O)c1ccc(Cl)cc1OC,CC[C@@H]1CCCCC1.COc1cccc(Cl)c1,NC(=O)NNC=O,7,16,0
117,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,C[C@H](CNC(N)=O)C[NH+]1CCCCC1.Clc1ccccc1,CCO,6,18,0
118,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,CC(C)C[NH+]1CCCCC1.C[C@@H](O)c1ccc(Cl)cc1,NC(N)=O,9,12,0
119,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,C[NH+]1CCCCC1.NC(=O)NC[C@@H](O)c1ccc(Cl)cc1,CCC,4,20,0
120,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,CC(C)C[NH+]1CCCCC1.OCc1ccc(Cl)cc1,CNC(N)=O,9,11,0
121,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,CCC[NH+]1CCCCC1.C[C@@H](O)c1ccc(Cl)cc1,CNC(N)=O,1,11,0
122,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,C1CC[NH+]CC1.CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1,CCC,3,20,0
123,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,CCC[NH+]1CCCCC1.OCc1ccc(Cl)cc1,CNC(=O)NC,1,10,0
124,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,CC(C)C[NH+]1CCCCC1.Clc1ccccc1,NC(=O)NCCO,9,14,0
125,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,C[C@@H](O)c1ccc(Cl)cc1.C[NH+]1CCCCC1,CCCNC(N)=O,4,9,0
126,C[C@H](CNC(=O)NC[C@@H](O)c1ccc(Cl)cc1)C[NH+]1CCCCC1,C1CC[NH+]CC1.NC(=O)NC[C@@H](O)c1ccc(Cl)cc1,CC(C)C,3,19,0
127,CCc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1,CCc1cc(C(N)=O)ccn1.Cc1ccccc1Cl,O=C1CCCN1,7,18,0
128,CCc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1,CCc1ccccn1.O=C1CCCN1Cc1ccccc1Cl,NC=O,4,11,0
129,CCc1cc(C(=O)N[C@@H]2CC(=O)N(Cc3ccccc3Cl)C2)ccn1,CCc1cc(C(N)=O)ccn1.Clc1ccccc1,CN1CCCC1=O,7,17,0
130,CC(=O)NCC[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCO1,CCNC(C)=O.Cc1cc2ccccc2[nH]c1=O,C1COCCN1,5,17,0
131,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CNC(=O)NCCCN1CCCCCC1=O.Fc1ccccc1F,NC=O,4,23,0
132,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CC(=O)Nc1ccc(F)c(F)c1.CN1CCCCCC1=O,CCNC(N)=O,2,20,0
133,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CN1CCCCCC1=O.O=CNc1ccc(F)c(F)c1,CCNC(=O)NC,1,19,0
134,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CC(=O)Nc1ccc(F)c(F)c1.CCN1CCCCCC1=O,CNC(N)=O,2,21,0
135,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,Fc1ccccc1F.NC(=O)NCCCN1CCCCCC1=O,CC(N)=O,4,22,0
136,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CC(=O)Nc1ccc(F)c(F)c1.CCCN1CCCCCC1=O,NC(N)=O,2,22,0
137,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CCCN1CCCCCC1=O.Fc1ccccc1F,NC(=O)CNC(N)=O,4,18,0
138,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,O=C1CCCCCN1.O=CNc1ccc(F)c(F)c1,CCCNC(=O)NC,1,18,0
139,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,NC(=O)NCC(=O)Nc1ccc(F)c(F)c1.O=C1CCCCCN1,CCC,6,23,0
140,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CC(=O)Nc1ccc(F)c(F)c1.O=C1CCCCCN1,CCCNC(N)=O,2,19,0
141,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CCCN1CCCCCC1=O.O=CNc1ccc(F)c(F)c1,CNC(N)=O,1,21,0
142,O=C(CNC(=O)NCCCN1CCCCCC1=O)Nc1ccc(F)c(F)c1,CCN1CCCCCC1=O.O=CNc1ccc(F)c(F)c1,CNC(=O)NC,1,20,0
143,C#CCOc1ccc(F)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@@H]12,C#CCOc1ccc(F)cc1.C1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1,NC(=O)C(N)=O,10,19,0
144,CSC[C@@H]1CCN(c2nccc(OCc3ccccc3)n2)C1,CSC[C@@H]1CCNC1.Cc1ccccc1,Oc1ccncn1,6,12,0
145,CSC[C@@H]1CCN(c2nccc(OCc3ccccc3)n2)C1,CSC[C@@H]1CCNC1.OCc1ccccc1,c1cncnc1,6,13,0
146,C[C@@H](CC[NH2+][C@H]1CC[C@H](c2ccccc2)CC1)[S@](C)=O,C[C@@H](CC[NH2+])[S@](C)=O.c1ccccc1,C1CCCCC1,4,11,0
147,CC1(C)C[NH+](CC(=O)Nc2nc3c(s2)CCCC3)CCS1,C[NH+]1CCSC(C)(C)C1.c1nc2c(s1)CCCC2,NC=O,5,14,0
148,CC1(C)C[NH+](CC(=O)Nc2nc3c(s2)CCCC3)CCS1,CC1(C)C[NH+]CCS1.c1nc2c(s1)CCCC2,CC(N)=O,5,13,0
149,CC(C)Oc1cccnc1C(=O)NCc1ccc(-n2ccnc2)cc1,CC(C)Oc1cccnc1.Cc1ccc(-n2ccnc2)cc1,NC=O,9,17,0
150,CC(C)Oc1cccnc1C(=O)NCc1ccc(-n2ccnc2)cc1,CC(C)Oc1cccnc1.c1ccc(-n2ccnc2)cc1,CNC=O,9,16,0
151,CCc1nn(C)cc1C[NH2+]CCn1ccnc1,CCc1ccn(C)n1.Cn1ccnc1,C[NH2+]C,7,11,0
152,CCc1nn(C)cc1C[NH2+]CCn1ccnc1,CCc1ccn(C)n1.c1cncn1,CC[NH2+]C,7,10,0
153,CCc1nn(C)cc1C[NH2+]CCn1ccnc1,CCc1nn(C)cc1C.c1cncn1,CC[NH2+],8,11,0
154,CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1=O,CCc1ccccc1.COc1cc([N+](=O)[O-])ccc1NC=O,O=C1CCCN1,7,20,0
155,CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1=O,CCc1ccccc1N1CCCC1=O.COc1cccc([N+](=O)[O-])c1,NC=O,10,24,0
156,CCC[C@@](C)(C/C=C/c1ccccc1)C(=O)[O-],CCCC(C)C(=O)[O-].c1ccccc1,C=CC,3,11,0
157,NC(=O)N1CCC[C@@H](C(=O)Oc2ccc(Br)cc2)C1,Brc1ccccc1.NC(=O)N1CCCCC1,O=CO,4,14,0
158,CCn1ncc2c(C(=O)Nc3cc(OC)c(OC)cc3Cl)cc(-c3cccs3)nc21,CCn1ncc2ccc(-c3cccs3)nc21.COc1ccc(Cl)cc1OC,NC=O,6,22,0
159,C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl,Clc1ccccc1Cl.c1ccc2c(c1)CCCC2,C[NH+](C)CC(N)=O,5,17,0
160,C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl,C[NH+]Cc1cccc(Cl)c1Cl.c1ccc2c(c1)CCCC2,CC(N)=O,1,20,0
161,C[N@H+](CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccc(Cl)c1Cl,C[NH+](C)Cc1cccc(Cl)c1Cl.c1ccc2c(c1)CCCC2,NC=O,11,21,0
162,CCc1ccc([C@H](COC)NC(=O)[C@@H]2CSC(=O)N2)o1,CCc1ccc(CCOC)o1.O=C1NCCS1,NC=O,6,14,0
163,C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-n2cncn2)c(F)c1,C[C@@H]1CCC[NH2+]1.Fc1ccccc1-n1cncn1,NC=O,5,9,0
164,C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C1CCCCC1,C[NH+](C)C1CCCCC1.O=C1NC(=O)c2ccccc21,CCC,2,19,0
165,C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C1CCCCC1,CN1C(=O)c2ccccc2C1=O.C[NH+]C1CCCCC1,CCC,1,19,0
166,C[NH+](CCCCN1C(=O)c2ccccc2C1=O)C1CCCCC1,C[NH+]C1CCCCC1.O=C1NC(=O)c2ccccc21,CCCC,1,18,0
167,COC(=O)c1ccc(COC(=O)c2sc(-c3cccs3)nc2C)o1,COC(=O)c1ccc(C)o1.Cc1csc(-c2cccs2)n1,O=CO,8,20,0
168,COC(=O)c1ccc(COC(=O)c2sc(-c3cccs3)nc2C)o1,COC(=O)c1ccco1.Cc1csc(-c2cccs2)n1,COC=O,7,19,0
169,O=C(c1cccnc1Oc1ccccc1)N1CCC[C@@H](n2cccn2)C1,O=CN1CCC[C@@H](n2cccn2)C1.Oc1ccccc1,c1ccncc1,1,17,0
170,C[C@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1cncn1,c1csc(-c2cn3ccccc3n2)c1.c1ncnn1,CCC(N)=O,12,17,0
171,C[C@H](C(=O)Nc1c(-c2cccs2)nc2ccccn12)n1cncn1,CCn1cncn1.c1csc(-c2cn3ccccc3n2)c1,NC=O,1,19,0
172,CSc1nnnn1-c1cccc(NC(=O)c2cnc(C)cn2)c1,CSc1nnnn1.Cc1cnc(C(N)=O)cn1,c1ccccc1,6,14,0
173,CSc1nnnn1-c1cccc(NC(=O)c2cnc(C)cn2)c1,CSc1nnnn1-c1ccccc1.Cc1cnccn1,NC=O,11,17,0
174,Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2cccs2)cc1C,CCCc1cccs1.Cc1ccccc1C,O=[SH](=O)N=C[O-],4,14,0
175,Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2cccs2)cc1C,Cc1ccc(S(=O)(=O)N=C[O-])cc1C.c1ccsc1,CCC,9,17,0
176,Cc1ccc(S(=O)(=O)/N=C(\[O-])CCCc2cccs2)cc1C,CCc1cccs1.Cc1ccccc1C,CC([O-])=N[SH](=O)=O,4,13,0
177,CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1,CC[NH+]1CCNCC1.C[NH+]1CC[C@H]2[C@H](CCCN2C2CC2)C1,c1ccccc1,5,19,0
178,CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H]3[C@H](CCCN3C3CC3)C2)CC1,C1C[C@@H]2C[NH+]CC[C@@H]2N(C2CC2)C1.CC[NH+]1CCNCC1,Cc1ccccc1,4,18,0
179,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,CCc1ccc(S(N)(=O)=O)s1.c1ccncc1,CC#CCO,9,15,0
180,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,CCc1cccs1.COc1cccnc1,C#CCN[SH](=O)=O,5,13,0
181,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,CCc1ccc(S(=O)(=O)NC)s1.c1ccncc1,C#CCO,10,16,0
182,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,CC#CCOc1cccnc1.CCc1cccs1,N[SH](=O)=O,2,16,0
183,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,CCc1ccc(S(=O)(=O)NC)s1.Oc1cccnc1,C#CC,10,17,0
184,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,CCc1ccc(S(N)(=O)=O)s1.Oc1cccnc1,CC#CC,9,16,0
185,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,C#CCOc1cccnc1.CCc1cccs1,CN[SH](=O)=O,1,15,0
186,CCc1ccc(S(=O)(=O)NCC#CCOc2cccnc2)s1,CCc1ccc(S(N)(=O)=O)s1.COc1cccnc1,C#CC,9,17,0
187,COCc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2O)o1,COCc1ccco1.Oc1ccc(Cc2ccccc2)cc1,NC=O,6,21,0
188,COCc1ccc(C(=O)Nc2cc(Cc3ccccc3)ccc2O)o1,COCc1ccc(C(N)=O)o1.Cc1ccccc1,Oc1ccccc1,9,15,0
189,Cn1c(=O)c(C(=O)Nc2ccccc2C#N)cc2cccnc21,Cn1c(=O)ccc2cccnc21.N#Cc1ccccc1,NC=O,4,19,0
190,O=C(Nc1nnc(C2CCCCC2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1,O=S(=O)(c1cccs1)N1CCCCC1.c1nnc(C2CCCCC2)o1,NC=O,7,22,0
191,O=C(Nc1nnc(C2CCCCC2)o1)C1CCN(S(=O)(=O)c2cccs2)CC1,C1CCCCC1.NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1,c1nnco1,3,8,0
192,O=C(NCCNC(=O)[C@@H]1CC=CCC1)[C@@H]1CC=CCC1,C1=CCCCC1.NC(=O)[C@@H]1CC=CCC1,CCNC=O,3,8,0
193,O=C(NCCNC(=O)[C@@H]1CC=CCC1)[C@@H]1CC=CCC1,C1=CCCCC1.CNC(=O)[C@@H]1CC=CCC1,CNC=O,3,9,0
194,O=C(NCCNC(=O)[C@@H]1CC=CCC1)[C@@H]1CC=CCC1,C1=CCCCC1.CCNC(=O)[C@@H]1CC=CCC1,NC=O,3,10,0
195,C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1,Clc1ccccc1.Nc1ncnc(Nc2ccccc2)n1,CCSC,5,19,0
196,C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1,Cc1cccc(Cl)c1.Nc1ncnc(Nc2ccccc2)n1,CCS,6,20,0
197,C[C@@H](SCc1cccc(Cl)c1)c1nc(N)nc(Nc2ccccc2)n1,CCSCc1cccc(Cl)c1.Nc1ccccc1,Nc1ncncn1,1,15,0
198,CCOc1ccc(C(=O)Nc2ccc(OC)cc2N)cc1,CCOc1ccccc1.COc1cccc(N)c1,NC=O,6,14,0
199,CNC(=O)COC(=O)Cc1c(C)nn(CC(C)C)c1C,CNC(C)=O.Cc1nn(CC(C)C)c(C)c1C,O=CO,4,16,0
200,CNC(=O)COC(=O)Cc1c(C)nn(CC(C)C)c1C,CNC(C)=O.Cc1cc(C)n(CC(C)C)n1,CC(=O)O,4,15,0
201,COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12,Brc1ccccc1.CCc1cc2c(OC)ccc(OC)c2[nH]c1=O,NC=O,4,21,0
202,COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12,Brc1ccccc1.COc1ccc(OC)c2[nH]c(=O)ccc12,CCNC=O,4,19,0
203,COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)c3ccc(Br)cc3)cc12,Brc1ccccc1.COc1ccc(OC)c2[nH]c(=O)c(C)cc12,CNC=O,4,20,0
204,C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12,O=C1NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]12)[C@@H]1C[C@H]31.O=[N+]([O-])c1ccccc1,CCC(N)=O,6,21,0
205,C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12,CCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1C=C[C@H]2[C@@H]2C[C@H]12.O=[N+]([O-])c1ccccc1,NC=O,1,23,0
206,CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCC#N,CC[C@H](C)c1ccccc1.CC[NH+](C)CCC#N,NC=O,9,11,0
207,CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCC#N,CC[C@H](C)c1ccccc1.C[NH+]CCC#N,CCC(N)=O,9,11,0
208,CCN1CCO[C@H](C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1,CCN1CCOCC1.O=C(Nc1ccccc1)c1ccncc1,CNC=O,6,14,0
209,CCN1CCO[C@H](C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1,CCN1CCOCC1.Cc1ccc(NC(=O)c2ccncc2)cc1,NC=O,6,15,0
210,CCN1CCO[C@H](C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1,CCN1CCO[C@H](C(=O)NC)C1.NC(=O)c1ccncc1,c1ccccc1,10,14,0
211,CCN1CCO[C@H](C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1,CCN1CCO[C@H](C(N)=O)C1.NC(=O)c1ccncc1,Cc1ccccc1,9,13,0
212,CCN1CCO[C@H](C(=O)NCc2ccc(NC(=O)c3ccncc3)cc2)C1,CCN1CCO[C@H](C(=O)NCc2ccccc2)C1.c1ccncc1,NC=O,14,20,0
213,CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)N1CCCC1,FC(F)Oc1ccccc1.O=CN1CCCC1,CCNCC(C)C,9,11,0
214,CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)N1CCCC1,CCc1ccccc1OC(F)F.O=CN1CCCC1,CC(C)CN,1,13,0
215,CC(C)[C@H](N[C@@H](C)c1ccccc1OC(F)F)C(=O)N1CCCC1,CC(C)CC(=O)N1CCCC1.FC(F)Oc1ccccc1,CCN,3,20,0
216,O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1,Cc1ccccc1.O=C(c1ccccc1)N1CCS[C@@H]1c1cccc(F)c1,CNC=O,9,24,0
217,O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1,O=C(c1ccccc1)N1CCS[C@@H]1c1cccc(F)c1.c1ccccc1,CCNC=O,9,23,0
218,O=C(NCCc1ccccc1)[C@H]1CS[C@H](c2cccc(F)c2)N1C(=O)c1ccccc1,CCc1ccccc1.O=C(c1ccccc1)N1CCS[C@@H]1c1cccc(F)c1,NC=O,9,25,0
219,Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1,CCOc1cccc(C)c1.OCCc1ccccc1F,NC=O,8,12,0
220,Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1,CCOc1cccc(C)c1.Fc1ccccc1,O=CNCCO,8,16,0
221,Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1,Cc1cccc(O)c1.OCCc1ccccc1F,CCC(N)=O,6,10,0
222,Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1,COc1cccc(C)c1.Fc1ccccc1,CC(=O)NCCO,7,15,0
223,Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1,Cc1ccccc1.O=CN[C@H](CO)c1ccccc1F,CCO,5,8,0
224,Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1,COc1cccc(C)c1.OCCc1ccccc1F,CC(N)=O,7,11,0
225,Cc1cccc(OCCC(=O)N[C@H](CO)c2ccccc2F)c1,Cc1ccccc1.OCCc1ccccc1F,NC(=O)CCO,5,9,0
226,Cc1cc(N)nc(S[C@H](C)C(=O)c2ccc(F)cc2)n1,Cc1cc(N)ncn1.Fc1ccccc1,C[C@@H](S)C=O,6,12,0
227,Cc1cc(N)nc(S[C@H](C)C(=O)c2ccc(F)cc2)n1,Cc1cc(N)ncn1.O=Cc1ccc(F)cc1,CCS,6,9,0
228,Cc1cc(N)nc(S[C@H](C)C(=O)c2ccc(F)cc2)n1,Cc1cc(N)nc(S)n1.Fc1ccccc1,CCC=O,7,13,0
229,O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1,NC(=O)c1cc(-c2cccnc2)n2c1CSC2.O=CNCc1ccccc1,c1ccccc1,1,12,0
230,O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1,O=CNCc1ccccc1.c1cncc(-c2ccc3n2CSC3)c1,O=CNc1ccccc1,1,17,0
231,O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1,O=C(Nc1ccccc1)c1cc(-c2cccnc2)n2c1CSC2.c1ccccc1,CNC=O,7,26,0
232,O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1,Cc1ccccc1.O=C(Nc1ccccc1)c1cc(-c2cccnc2)n2c1CSC2,NC=O,7,27,0
233,O=C(NCc1ccccc1)c1cccc(NC(=O)c2cc(-c3cccnc3)n3c2CSC3)c1,O=C(NCc1ccccc1)c1ccccc1.c1cncc(-c2ccc3n2CSC3)c1,NC=O,14,23,0
234,CCc1cccc(C(=O)NCCCNc2ncccn2)c1O,CCc1cccc(C(N)=O)c1O.c1cncnc1,CCCN,9,15,0
235,CCc1cccc(C(=O)NCCCNc2ncccn2)c1O,CCc1ccccc1O.CNc1ncccn1,CCNC=O,6,14,0
236,CCc1cccc(C(=O)NCCCNc2ncccn2)c1O,CCc1cccc(C(=O)NC)c1O.c1cncnc1,CCN,10,16,0
237,CCc1cccc(C(=O)NCCCNc2ncccn2)c1O,CCc1ccccc1O.Nc1ncccn1,CCCNC=O,6,13,0
238,CCc1cccc(C(=O)NCCCNc2ncccn2)c1O,CCc1cccc(C(N)=O)c1O.Nc1ncccn1,CCC,9,16,0
239,CCc1cccc(C(=O)NCCCNc2ncccn2)c1O,CCCNc1ncccn1.CCc1ccccc1O,NC=O,6,16,0
240,CCc1cccc(C(=O)NCCCNc2ncccn2)c1O,CCNc1ncccn1.CCc1ccccc1O,CNC=O,6,15,0
241,Cc1ccc(C(=O)N[C@H](c2noc(C)n2)c2ccccc2F)cc1,Cc1ccccc1.Cc1nc(Cc2ccccc2F)no1,NC=O,4,11,0
242,C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1C#CC[NH3+],C[C@H]1CCCO1.Cc1ccccc1C#CC[NH3+],NC=O,5,16,0
243,C[C@@H]1OCC[C@@H]1C(=O)NCc1ccccc1C#CC[NH3+],C[C@H]1CCCO1.[NH3+]CC#Cc1ccccc1,CNC=O,5,15,0
244,C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O,CN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O.NC(=O)c1ccccc1,NC=O,14,23,0
245,C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O,C[C@]1(c2ccc(C#N)cc2)NC(=O)NC1=O.NC(=O)c1ccccc1,CC(N)=O,13,22,0
246,C[C@]1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)Nc2ccc(C(N)=O)cc2)C1=O,CC(=O)Nc1ccc(C(N)=O)cc1.N#Cc1ccccc1,CC1NC(=O)NC1=O,5,18,0
247,CCOC(=O)[C@H](C)Nc1ccc2oc(=O)[nH]c2c1,CCOC=O.O=c1[nH]c2ccccc2o1,CCN,3,10,0
248,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,CN(C=O)Cc1ccccc1.COc1ccccc1,CCC,9,16,0
249,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,CN(C=O)Cc1ccccc1.c1ccccc1,CCCCO,9,14,0
250,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,CCCCOc1ccccc1.Cc1ccccc1,CNC=O,1,15,0
251,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,CCC(=O)N(C)Cc1ccccc1.c1ccccc1,CCO,1,16,0
252,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,CCOc1ccccc1.Cc1ccccc1,CCC(=O)NC,4,13,0
253,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,COc1ccccc1.Cc1ccccc1,CNC(=O)C(C)C,4,12,0
254,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,CN(C=O)Cc1ccccc1.Oc1ccccc1,CCCC,9,15,0
255,C[C@@H](CCOc1ccccc1)C(=O)N(C)Cc1ccccc1,CCCCOc1ccccc1.c1ccccc1,CN(C)C=O,1,14,0
256,CCC(CC)CNC(=O)NCCc1cccs1,CCCCC.CCc1cccs1,CNC(N)=O,2,10,0
257,CCC(CC)CNC(=O)NCCc1cccs1,CCC(C)CC.CCc1cccs1,NC(N)=O,5,11,0
258,CCC(CC)CNC(=O)NCCc1cccs1,CCC(C)CC.Cc1cccs1,CNC(N)=O,5,10,0
259,Cc1cncc(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1,C1COCCN1.Cc1cncc(NC(=O)C(N)=O)c1,CCCC,2,17,0
260,Cc1cncc(NC(=O)C(=O)N[C@H](C)[C@H](C)N2CCOCC2)c1,CC[C@H](C)N1CCOCC1.Cc1cccnc1,NC(=O)C(N)=O,2,15,0
261,CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1,CC(=O)Nc1ccccc1.c1ccc2[nH]cnc2c1,CCC(N)=O,7,15,0
262,CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1,CC(=O)Nc1ccccc1.CCc1nc2ccccc2[nH]1,NC=O,7,17,0
263,CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1,CC(=O)Nc1ccccc1.Cc1nc2ccccc2[nH]1,CC(N)=O,7,16,0
264,COc1cc(C)ccc1OCC(=O)Nc1cccc(C(C)C)c1,CC(C)c1ccccc1.COc1ccc(C)cc1OC,NC=O,7,19,0
265,COc1cc(C)ccc1OCC(=O)Nc1cccc(C(C)C)c1,CC(C)c1ccccc1.COc1cccc(C)c1,NC(=O)CO,7,17,0
266,COc1cc(C)ccc1OCC(=O)Nc1cccc(C(C)C)c1,CC(C)c1ccccc1.COc1cc(C)ccc1O,CC(N)=O,7,18,0
267,CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1,CC[NH+]1CCC[C@H]1C.COc1ccccc1,NC(N)=O,7,13,0
268,CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OC)cc1,CC[NH+]1CCCC1.COc1ccccc1,CNC(N)=O,6,12,0
269,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,C[C@H]1CN(C(C)(C)C)C[C@H](C)O1.Cc1nc2ccccc2c(=O)[nH]1,CC(N)=O,7,16,0
270,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,C[C@H]1CNC[C@H](C)O1.NC(=O)CCc1nc2ccccc2c(=O)[nH]1,CC(C)C,3,23,0
271,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,CCc1nc2ccccc2c(=O)[nH]1.C[C@H]1CNC[C@H](C)O1,CC(C)CNC=O,3,13,0
272,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,CCc1nc2ccccc2c(=O)[nH]1.C[C@H]1CN(C(C)(C)C)C[C@H](C)O1,NC=O,7,17,0
273,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,C[C@H]1CN(C(C)(C)C)C[C@H](C)O1.O=c1[nH]cnc2ccccc12,CCC(N)=O,7,15,0
274,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,CC(C)N1C[C@H](C)O[C@@H](C)C1.Cc1nc2ccccc2c(=O)[nH]1,CNC(C)=O,4,15,0
275,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,C[C@H]1CNC[C@H](C)O1.Cc1nc2ccccc2c(=O)[nH]1,CC(=O)NCC(C)C,3,12,0
276,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,CC(C)N1C[C@H](C)O[C@@H](C)C1.O=c1[nH]cnc2ccccc12,CCC(=O)NC,4,14,0
277,C[C@H]1CN(C(C)(C)CNC(=O)CCc2nc3ccccc3c(=O)[nH]2)C[C@H](C)O1,CC(C)N1C[C@H](C)O[C@@H](C)C1.CCc1nc2ccccc2c(=O)[nH]1,CNC=O,4,16,0
278,CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)Nc1nccs1,CC[C@@H]1CCCN(C(=O)C(C)(C)C)C1.c1cscn1,CC(N)=O,13,17,0
279,CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1CC(=O)Nc1nccs1,CC[C@H]1CN(C(=O)C(C)(C)C)CC[C@H]1C.c1cscn1,NC=O,14,18,0
280,CN(C)C(=O)C[C@H](C#N)Nc1cccc(Cl)c1,CN(C)C=O.Nc1cccc(Cl)c1,CCC#N,3,11,0
281,CN(C)C(=O)C[C@H](C#N)Nc1cccc(Cl)c1,CC(=O)N(C)C.Clc1ccccc1,N#CCN,5,11,0
282,CN(C)C(=O)C[C@H](C#N)Nc1cccc(Cl)c1,CN(C)C=O.Clc1ccccc1,C[C@@H](N)C#N,3,10,0
283,CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1,CC[C@H](C)NC=O.COC(=O)c1ccc(C(N)=O)cc1,c1ccccc1,5,17,0
284,CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(C(=O)OC)cc1,CC[C@H](C)NC(=O)c1ccccc1.COC(=O)c1ccccc1,NC=O,12,20,0
285,Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1,Cn1c(S)nnc1C1CC1.c1ccc(Sc2ccccc2)cc1,CC(N)=O,3,20,0
286,Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1,Cn1cnnc1C1CC1.c1ccc(Sc2ccccc2)cc1,NC(=O)CS,8,19,0
287,Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1,CSc1nnc(C2CC2)n1C.c1ccc(Sc2ccccc2)cc1,NC=O,4,21,0
288,Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1C1CC1,Cn1c(SCC(N)=O)nnc1C1CC1.Sc1ccccc1,c1ccccc1,7,18,0
289,CCc1ccc(CC(CO)(CO)c2ccccc2Cl)cc1,CCc1ccccc1.Clc1ccccc1,CC(CO)CO,5,14,0
290,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(N)=O.c1ccccc1,CC(C)O,15,19,0
291,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1,CNC(=O)C(=O)Nc1cc([N+](=O)[O-])ccc1C.c1ccccc1,CCO,16,20,0
292,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(N)=O.Cc1ccccc1,CCO,15,20,0
293,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1,Cc1ccc([N+](=O)[O-])cc1.OCCc1ccccc1,CNC(=O)C(N)=O,9,11,0
294,Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](O)Cc1ccccc1,C[C@@H](O)Cc1ccccc1.Cc1ccc([N+](=O)[O-])cc1,NC(=O)C(N)=O,9,19,0
295,CCc1nc(NC(=O)CN2CC[S@](=O)C(C)(C)C2)sc1C,CC1(C)CNCC[S@@]1=O.CCc1ncsc1C,CC(N)=O,4,13,0
296,CCc1nc(NC(=O)CN2CC[S@](=O)C(C)(C)C2)sc1C,CCc1ncsc1C.CN1CC[S@](=O)C(C)(C)C1,NC=O,5,14,0
297,CN(C[C@@H](O)C1CC1)c1ncnc2c1c(Br)nn2C,Cn1nc(Br)c2cncnc21.OCC1CC1,CNC,6,12,0
298,COC(=O)CCC(=O)NCc1ccc(Cl)nc1,CCC(=O)OC.Cc1ccc(Cl)nc1,NC=O,5,11,0
299,COC(=O)CCC(=O)NCc1ccc(Cl)nc1,CCC(=O)OC.Clc1ccccn1,CNC=O,5,10,0
300,COC(=O)CCC(=O)NCc1ccc(Cl)nc1,COC(C)=O.Cc1ccc(Cl)nc1,CC(N)=O,4,10,0
301,COC(=O)CCC(=O)NCc1ccc(Cl)nc1,COC(C)=O.Clc1ccccn1,CNC(C)=O,4,9,0
302,CCc1onc(C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1,CCc1cc(C)no1.C[C@@H](O)c1cccc(C(F)(F)F)c1,NC(N)=O,7,10,0
303,CCc1onc(C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1,CCc1onc(C)c1NC(N)=O.FC(F)(F)c1ccccc1,CCO,11,20,0
304,CCc1onc(C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1,CCc1cc(C)no1.FC(F)(F)c1ccccc1,NC(=O)NCCO,7,16,0
305,CCc1onc(C)c1NC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1,CCc1cc(C)no1.OCc1cccc(C(F)(F)F)c1,CNC(N)=O,7,9,0
306,Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccc(Br)s1)C(=O)N2,Brc1cccs1.Cc1ccc2c(c1)C(O)C(=O)N2,CC=O,4,13,0
307,Cc1cn(-c2ccccc2Cl)nc1NC(=O)C(=O)NCCCO,Clc1ccccc1.NC(=O)C(=O)NCCCO,Cc1cnnc1,6,16,0
308,Cc1nnc(-c2ccc(NC(=O)c3ccc(-n4cccc4)nc3)cc2)o1,Cc1nnco1.NC(=O)c1ccc(-n2cccc2)nc1,c1ccccc1,4,8,0
309,Cc1nnc(-c2ccc(NC(=O)c3ccc(-n4cccc4)nc3)cc2)o1,Cc1nnc(-c2ccccc2)o1.c1ccc(-n2cccc2)nc1,NC=O,8,19,0
310,CCN(Cc1ccccn1)C(=O)NCCc1cn2cccc(C)c2[nH+]1,Cc1ccccn1.Cc1cn2cccc(C)c2[nH+]1,CCNC(=O)NC,8,15,0
311,CCN(Cc1ccccn1)C(=O)NCCc1cn2cccc(C)c2[nH+]1,CCc1cn2cccc(C)c2[nH+]1.Cc1ccccn1,CCNC(N)=O,9,16,0
312,O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1,O=C(CS)N1CCOCC1.O=C1CCCN1c1ccccc1,O=CNc1nncs1,3,13,0
313,O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1,O=CNc1nnc(SCC(=O)N2CCOCC2)s1.c1ccccc1,O=C1CCCN1,9,21,0
314,O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1,O=C(CSc1nncs1)N1CCOCC1.O=C1CCCN1c1ccccc1,NC=O,7,18,0
315,O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1,CC(=O)N1CCOCC1.NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1,Sc1nncs1,2,11,0
316,O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1,NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1.O=C(CS)N1CCOCC1,c1nncs1,3,12,0
317,O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1,CC(=O)N1CCOCC1.O=C1CCCN1c1ccccc1,O=CNc1nnc(S)s1,2,12,0
318,O=C(Nc1nnc(SCC(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(c2ccccc2)C1,NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1.O=CN1CCOCC1,CSc1nncs1,1,10,0
319,Cc1cnc(SCC[C@H]2CCCC2=O)nc1,Cc1cncnc1.O=C1CCCC1,CCS,4,12,0
320,COC(=O)C[C@@H](NC(=O)c1ccco1)c1cccs1,COC(=O)CCc1cccs1.c1ccoc1,NC=O,5,14,0
321,Cc1ccc2c(c1)c(C[NH2+][C@H](C)Cn1ccnc1)nn2C,Cc1ccc2c(c1)c(C[NH2+])nn2C.c1cncn1,CCC,9,15,0
322,Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1,C[C@@H](C(=O)N1CCCC1)N1CCN(C)CC1.c1ccccc1,Cc1ccnn1,13,19,0
323,Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1,CCC(=O)N1CCCC1.Cc1ccn(-c2ccccc2)n1,CN1CCNCC1,1,20,0
324,Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H](C)C(=O)N2CCCC2)CC1,CCC(=O)N1CCCC1.Cc1cn(-c2ccccc2)nc1C,C1CNCCN1,1,21,0
325,CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)CC(C)C)C1,CC(C)CC(C)C.CC[C@H](C)C(=O)N1CCCCC1,CNC=O,4,17,0
326,CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCC(C)(C)CC(C)C)C1,CC(C)CC(C)(C)C.CC[C@H](C)C(=O)N1CCCCC1,NC=O,7,18,0
327,COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1,COc1ccccc1.Cc1noc2nc(-c3ccc(F)cc3)ccc12,NC=O,5,23,0
328,C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1,CCC(=O)N(C)C.CCc1ccc(C(C)(C)C)cc1,NC(N)=O,6,8,0
329,C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1,CC(C)(C)c1ccccc1.CCC(=O)N(C)C,CCNC(N)=O,7,16,0
330,C[C@H](NC(=O)NCCC(=O)N(C)C)c1ccc(C(C)(C)C)cc1,CC(=O)N(C)C.CCc1ccc(C(C)(C)C)cc1,CNC(N)=O,5,7,0
331,CC(=O)N(/C=C/c1sc2ccccc2[n+]1C)c1ccccc1,C[n+]1csc2ccccc21.c1ccccc1,C=CNC(C)=O,2,13,0
332,CNc1ccc(C(F)(F)F)cc1C(=O)NCCS(N)(=O)=O,CNc1ccc(C(F)(F)F)cc1.CS(N)(=O)=O,CNC=O,11,16,0
333,CNc1ccc(C(F)(F)F)cc1C(=O)NCCS(N)(=O)=O,CCS(N)(=O)=O.CNc1ccc(C(F)(F)F)cc1,NC=O,11,17,0
334,CCOc1ccc2nc(NC(=O)C[NH+]3CCC(c4nnc(SC)n4C)CC3)sc2c1,CCOc1ccc2ncsc2c1.CSc1nnc(C2CC[NH+]CC2)n1C,CC(N)=O,8,21,0
335,CCOc1ccc2nc(NC(=O)C[NH+]3CCC(c4nnc(SC)n4C)CC3)sc2c1,CCOc1ccc2ncsc2c1.CSc1nnc(C2CC[NH+](C)CC2)n1C,NC=O,8,22,0
336,C[NH+](Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1,C[NH+](C)Cc1nc2cc(Cl)ccc2[nH]1.c1ccc(Cc2ccccc2)cc1,c1ncon1,13,18,0
337,C[NH+](Cc1nc2cc(Cl)ccc2[nH]1)Cc1nc(C(c2ccccc2)c2ccccc2)no1,C[NH+]Cc1nc2cc(Cl)ccc2[nH]1.c1ccc(Cc2ccccc2)cc1,Cc1ncno1,1,17,0
338,O=C(CCc1ccc2c(c1)OCO2)Nc1nc2ccc(Br)cc2s1,Brc1ccc2ncsc2c1.CCc1ccc2c(c1)OCO2,NC=O,6,17,0
339,O=C(CCc1ccc2c(c1)OCO2)Nc1nc2ccc(Br)cc2s1,Brc1ccc2ncsc2c1.Cc1ccc2c(c1)OCO2,CC(N)=O,6,16,0
340,O=C(CCc1ccc2c(c1)OCO2)Nc1nc2ccc(Br)cc2s1,Brc1ccc2ncsc2c1.c1ccc2c(c1)OCO2,CCC(N)=O,6,15,0
341,Cc1ncc([C@@H](C)[NH2+]Cc2ccccc2C)s1,Cc1ccccc1.Cc1nccs1,CC[NH2+]C,6,11,0
342,CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1,CCCC(=O)Nc1ccc(C=O)cc1.c1ccncc1,CCS,10,17,0
343,CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1,CCCC(=O)Nc1ccccc1.c1ccncc1,C[C@@H](S)C=O,9,15,0
344,CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1,CCCC(N)=O.C[C@H](C=O)Sc1ccccn1,c1ccccc1,5,15,0
345,CCCC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1,CCCC(=O)Nc1ccccc1.Sc1ccccn1,CCC=O,9,16,0
346,COc1cccc(C2=C[C@@H](C(=O)NC3CCCCCC3)N=N2)c1,C1CCCCCC1.COc1cccc(C2=CCN=N2)c1,NC=O,4,16,0
347,CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1,CCCNC(C)=O.C[C@H](O)c1cc(Cl)cc(Cl)c1,CNC=O,6,9,0
348,CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1,CCCNC(C)=O.OCc1cc(Cl)cc(Cl)c1,CNC(C)=O,6,8,0
349,CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1,CC(=O)NCCCN(C)C=O.Clc1cccc(Cl)c1,CCO,9,17,0
350,CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1,CCNC(C)=O.C[C@H](O)c1cc(Cl)cc(Cl)c1,CN(C)C=O,5,8,0
351,CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1,CCNC(C)=O.OCc1cc(Cl)cc(Cl)c1,CC(=O)N(C)C,5,7,0
352,CC(=O)NCCCN(C)C(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1,CCCNC(C)=O.Clc1cccc(Cl)c1,CNC(=O)CCO,6,13,0
353,[NH3+][C@H](Cc1ccc(Br)s1)[C@H]1CN2CCC[C@@H]2CO1,Brc1cccs1.C1C[C@@H]2COCCN2C1,CC[NH3+],4,11,0
354,COCCc1noc(-c2ccc(N[C@@H]3CCCc4ccccc43)nc2)n1,COCCc1ncon1.N[C@@H]1CCCc2ccccc21,c1ccncc1,7,19,0
355,COCCc1noc(-c2ccc(N[C@@H]3CCCc4ccccc43)nc2)n1,COCCc1ncon1.c1ccc2c(c1)CCCC2,Nc1ccccn1,7,18,0
356,CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1,CC(C)(C)S(=O)(=O)Cc1ccccc1.CC1CCCCC1,NC=O,4,19,0
357,CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1,CC(C)(C)S(C)(=O)=O.NC(=O)CC1CCCCC1,c1ccccc1,7,17,0
358,CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1,CC(C)(C)[SH](=O)=O.NC(=O)CC1CCCCC1,Cc1ccccc1,4,16,0
359,CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)CC2CCCCC2)c1,C1CCCCC1.CC(C)(C)S(=O)(=O)Cc1ccccc1,CC(N)=O,3,18,0
360,O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCN(c2cccc(Br)c2)C1=O,O=C1CCCN1c1cccc(Br)c1.c1ccc2c(c1)CCCS2,NC=O,2,22,0
361,O=C(N[C@H]1CCSc2ccccc21)[C@H]1CCN(c2cccc(Br)c2)C1=O,Brc1ccccc1.O=CN[C@H]1CCSc2ccccc21,O=C1CCCN1,5,8,0
362,Cc1nc(S[C@@H](C)C(=O)NC2CC2)nc(C)c1C,Cc1ncnc(C)c1C.O=CNC1CC1,CCS,3,10,0
363,Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1,CN1CCO[C@@H](Cc2cccc3ccccc23)C1.Cn1cccn1,NC=O,4,15,0
364,Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1,Cc1cccc2ccccc12.Cn1ccc(NC=O)n1,CN1CCOCC1,6,14,0
365,Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1,Cn1cccn1.c1ccc2c(C[C@H]3CNCCO3)cccc2c1,CC(N)=O,4,14,0
366,Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1,Cn1ccc(NC=O)n1.c1ccc2ccccc2c1,C[C@H]1CN(C)CCO1,6,13,0
367,Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1,CC(=O)Nc1ccn(C)n1.c1ccc2ccccc2c1,C[C@H]1CNCCO1,8,14,0
368,Cn1ccc(NC(=O)CN2CCO[C@@H](Cc3cccc4ccccc34)C2)n1,CC(=O)Nc1ccn(C)n1.Cc1cccc2ccccc12,C1COCCN1,8,15,0
369,Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1,Cc1ccc(C(N)=O)cc1.O=[SH](=O)c1ccc(Cl)cc1,CCc1cccs1,7,11,0
370,Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1,C[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1.Cc1ccccc1,NC=O,4,18,0
371,Cc1ccc(C(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)cc1,Cc1ccccc1.O=S(=O)(Cc1cccs1)c1ccc(Cl)cc1,CNC=O,4,17,0
372,Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br,Cc1nn(Cc2ncon2)c(C)c1Br.c1ccccc1,O=CNCCO,8,17,0
373,Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br,Cc1nnc(C)c1Br.O=CNC[C@H](O)c1ccccc1,Cc1ncon1,3,9,0
374,Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br,C[C@H](O)c1ccccc1.Cc1nn(Cc2ncon2)c(C)c1Br,NC=O,8,16,0
375,Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br,C[C@H](O)c1ccccc1.Cc1nn(C)c(C)c1Br,NC(=O)c1ncno1,4,11,0
376,Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br,Cc1nn(C)c(C)c1Br.O=CNC[C@H](O)c1ccccc1,c1ncon1,4,10,0
377,Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br,Cc1nn(Cc2noc(C(N)=O)n2)c(C)c1Br.c1ccccc1,CCO,11,20,0
378,Cc1nn(Cc2noc(C(=O)NC[C@H](O)c3ccccc3)n2)c(C)c1Br,Cc1nn(Cc2ncon2)c(C)c1Br.OCc1ccccc1,CNC=O,8,15,0
379,Cc1cc(C(=O)CSc2nnc(C(C)(C)C)n2N)ccc1Br,CC(C)(C)c1nnc(S)n1N.Cc1ccccc1Br,CC=O,8,14,0
380,Cc1cc(C(=O)CSc2nnc(C(C)(C)C)n2N)ccc1Br,CC(C)(C)c1nncn1N.Cc1ccccc1Br,O=CCS,7,13,0
381,Cc1nc2c(s1)[C@H](N(C)C(=O)NCCCCn1cc[nH+]c1C)CCC2,CCCCn1cc[nH+]c1C.Cc1nc2c(s1)CCCC2,CNC(N)=O,9,16,0
382,Cc1nc2c(s1)[C@H](N(C)C(=O)NCCCCn1cc[nH+]c1C)CCC2,CCn1cc[nH+]c1C.Cc1nc2c(s1)CCCC2,CCNC(=O)NC,7,14,0
383,Cc1nc2c(s1)[C@H](N(C)C(=O)NCCCCn1cc[nH+]c1C)CCC2,Cc1[nH+]ccn1C.Cc1nc2c(s1)[C@H](N(C)C(N)=O)CCC2,CCC,6,18,0
384,Cc1nc2c(s1)[C@H](N(C)C(=O)NCCCCn1cc[nH+]c1C)CCC2,CNC(=O)N(C)[C@@H]1CCCc2nc(C)sc21.Cc1ncc[nH+]1,CCC,5,18,0
385,Cc1nc2c(s1)[C@H](N(C)C(=O)NCCCCn1cc[nH+]c1C)CCC2,CCCn1cc[nH+]c1C.Cc1nc2c(s1)CCCC2,CNC(=O)NC,8,15,0
386,Cc1nc2c(s1)[C@H](N(C)C(=O)NCCCCn1cc[nH+]c1C)CCC2,Cc1nc2c(s1)[C@H](N(C)C(N)=O)CCC2.Cc1ncc[nH+]1,CCCC,5,17,0
387,Cc1nnc2n1C[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)CC2,Cc1nnc2n1C[C@H](C(N)=O)CC2.NC(=O)c1ccco1,Clc1ccccc1,10,15,0
388,Cc1nnc2n1C[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)CC2,Cc1nnc2n1C[C@H](C(=O)Nc1ccc(Cl)cc1)CC2.c1ccoc1,NC=O,17,23,0
389,Cc1nnc2n1C[C@H](C(=O)Nc1ccc(Cl)cc1NC(=O)c1ccco1)CC2,Cc1nnc2n1CCCC2.O=C(Nc1cccc(Cl)c1)c1ccco1,NC=O,7,19,0
390,CCc1nc(CN2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)no1,CCc1ncno1.C[C@H]1CCC[C@H](C)C1,CN1CC[NH+]CC1,4,13,0
391,CCc1nc(CN2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)no1,CCc1nc(C)no1.C[C@H]1CCC[C@H](C)C1,C1C[NH+]CCN1,5,14,0
392,CCc1nc(CN2CC[NH+](C[C@H]3CCC[C@H](C)C3)CC2)no1,CCc1nc(C)no1.C[C@@H]1CCCCC1,C[NH+]1CCNCC1,5,13,0
393,O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1,C1CCCCC1.O=S(=O)(NC1CCCCC1)c1ccc(Cl)cc1,N[SH](=O)=O,3,21,0
394,O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1,O=[SH](=O)NC1CCCCC1.O=[SH](=O)NC1CCCCC1,Clc1ccccc1,1,11,0
395,O=S(=O)(NC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)NC2CCCCC2)c1,C1CCCCC1.O=S(=O)(NC1CCCCC1)c1ccccc1Cl,N[SH](=O)=O,3,18,0
396,COC(=O)C(C)(C)C[N@@H+](C)C[C@H]1CCCO1,C1CCOC1.COC(=O)C(C)(C)C,C[NH+]C,3,12,0
397,COC(=O)C(C)(C)C[N@@H+](C)C[C@H]1CCCO1,C1CCOC1.COC(=O)C(C)C,C[NH+](C)C,3,9,0
398,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,CCc1ccc(C)cc1C.Cc1csc(N2CCCC2)n1,CNC(N)=O,6,20,0
399,Cc1ccc(CCNC(=O)NCCc2csc(N3CCCC3)n2)c(C)c1,CCc1ccc(C)cc1C.CCc1csc(N2CCCC2)n1,NC(N)=O,6,21,0