2517 SMILES Strings for Streptokinase A

Compound Name
SMILES String
CC(C)c1ccc(NC(=O)c2cc(ccc2F)S(=O)(=O)NCC2COc3ccccc3O2)cc1
Cc1cccc(NC(=O)C2=C(N)C(C(=O)N3CCOCC3)\C(S2)=N\c2c(C)cccc2C)c1 |c:9|
CC1CC(C)CN(C1)c1ncc2C(=O)CC(Cc2n1)c1ccccc1Cl
Cc1cc(C(=O)OC(C(=O)Nc2cccc(c2)C(F)(F)F)c2ccccc2)c(C)o1
Cc1ccc(cc1)C(=O)C(N1Cc2ccccc2C1=N)c1ccccc1
CCN(CC)C(=S)SC(C)C(=O)c1cc(Br)ccc1O
CCC1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(C)(=O)=O)cc1
CN(C)C1C2CC3C(C(=O)c4c(O)cccc4C3(C)O)C(=O)C2(O)C(=O)C(C(N)=O)C1=O
CCCCCCC(O)(C(CNCCCCO)c1ccccc1)c1ccc(Br)cc1
CC(C)(C)NN=C1CC(Oc2ccccc12)c1ccccc1 |w:5.4|
CN(C(C)=O)c1ccc(OCC(O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc23)cc1
Cc1cccc(C)c1OCC(O)Cn1c2ccccc2c2ccccc12
COc1ccc2oc(C(=O)N3CCN(CC3)C(c3ccccc3)c3ccccc3)c(C)c2c1
Cn1c2nc(SCc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)n(C)c1=O
Cc1ccc(cc1)-c1nn(CCC(O)=O)cc1\C=C/C(=O)c1ccc(Br)cc1
COc1ccc(cc1)-c1csc2ncnc(N3CCN(CC3)c3ccccc3Cl)c12
CCOC(=O)c1c(NC(=O)c2cccs2)sc(CC)c1-c1cccs1
Clc1ccc(cc1)-c1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)n1
CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2)c1=O
O=C(c1ccc(cc1)C#N)n1c2ccccc2c2ccccc12
Cc1cc(C)c(NC(=O)c2oc3ccccc3c2COc2ccccc2)c(C)c1
Brc1ccccc1C(=O)NC(=S)Nc1ccccc1N1CCCC1
Fc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
COc1ccc(Nc2ncnc3scc(-c4ccc(OC)cc4)c23)cc1
CC1CCN(CC1)C(=O)N1c2ccccc2Sc2ccccc12
COC(=O)c1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
FC(F)(F)c1cc(nc(NCc2ccc(Cl)cc2)n1)-c1ccco1
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(o1)S(=O)(=O)Cc1cc(C)ccc1C
CN1C(=S)NC(=O)\C(=C\c2cccn2-c2ccc3ccccc3c2)C1=O
Clc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
Cc1ccc(\C=C\c2ccc(=O)n(Cc3ccccc3Cl)n2)cc1
Clc1cccc(Cl)c1CSc1nnc(\C=C\c2ccccc2)o1
COCc1cc(Sc2c(Cl)cccc2Cl)nc(n1)-c1ccccc1
COc1ccc(Sc2ccc(NC(=O)c3ccccc3Cl)cc2C#N)cc1
FC(F)(F)c1nc(nc2CCCCCc12)N1CCN(CC1)c1ccccc1
Clc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Fc1ccc(cc1)C(=O)Nc1cc(ccc1N1CCCCC1)S(=O)(=O)Nc1ccc(Cl)cc1
Cn1nc(c2cc(COc3ccc(Cl)cc3Cl)sc12)C(F)(F)F
O=C(CSc1ccncc1)N1c2ccccc2Sc2ccccc12
Cc1cccc(C)c1Oc1nc(ncc1S(=O)(=O)c1ccccc1)-c1ccccc1
Cc1cc(C)c2nc(cc(C(=O)N3CCN(Cc4ccccc4Cl)CC3)c2c1)-c1ccncc1
COc1cccc(c1)C(=O)n1c2ccccc2c2ccccc12
CCCOc1ccc(cc1)-c1nc(OC)c2ccccc2n1
O=C(CSc1cccs1)N1c2ccccc2Sc2ccccc12
COc1ccc(cc1OC)-c1nc(-c2cccs2)c([nH]1)-c1cccs1
CCN(CC)C(=S)SCC(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
CCOc1ccc(Cl)cc1S(=O)(=O)n1cnc2cc(C)c(C)cc12
Cc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
Cc1cc(n(n1)-c1nc(cs1)-c1nnc(SCc2cccc(C)c2)n1CC=C)C(F)(F)F
Cc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
O=C(CSc1ccccc1)N1c2ccccc2Sc2ccccc12
FC(F)(F)Oc1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
CN(C)c1ccc(cc1)C(=O)n1c2ccccc2c2ccccc12
FC(F)(F)c1ccccc1C(=O)n1c2ccccc2c2ccccc12
OCCNc1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N1CCCC1
[O-][N+](=O)c1ccccc1NCCNc1ncc(cc1Cl)C(F)(F)F
CC1(C)Cc2ccccc2-c2nc(SCC#N)n(CC=C)c(=O)c12
COc1ccc(SCC(=O)N2c3ccccc3Sc3ccccc23)cc1
Cc1ccc(cc1)C(=O)N1c2ccccc2Sc2ccccc12
FC(F)(F)c1cccc(c1)-c1cc2ccccc2nc1N1CCCC1
CC(C)c1cc2c(CN(C)Cc3ccccc3)cc(=O)oc2cc1C
Cc1noc(C)c1CSc1nc2sc(C)c(C)c2c(=O)n1C1CCCC1
O=C(Nc1ncc(Cc2ccccc2)s1)c1cccs1
COC(=O)CSc1nnc(-c2cnccn2)n1C
O=C(CN1CCc2ccccc2C1)Nc1ccccc1N1CCCCCC1
O=C(CN1CCCC1)Nc1ccc(NC(=O)Nc2ccccc2)cc1
COC(=O)c1c(NC(=O)Cc2cccs2)sc2CCCCc12
Cc1cc2-c3ccccc3NC(c3c[nH]c4ccccc34)n2n1
CCCCc1c(C)nn(c1C)-c1nnc2c3ccccc3n(CC)c2n1
CCOc1ccc2n(C)c3nc(SCC(=O)N4CCC(C)CC4)nnc3c2c1
Oc1cccc2c(OC(=O)c3ccccc3)cccc12
O=C(Nc1nc2ccccc2n1CCOc1ccccc1)c1ccco1
CCCCn1c(SCC(=O)c2ccccc2)nc2n(C)c(=O)[nH]c(=O)c12
Cc1nn(c(Cl)c1C1C(C#N)C(=N)OC2=C1C(=O)CCC2)-c1ccccc1 |c:15|
CCn1nc(nc2c1nc(=O)n(C)c2=O)-c1ccccc1
Clc1cccc(Cl)c1C1C(C#N)C(=N)SC(=N)C1C#N
CCN(CC)c1ccc(cc1)-n1cc2n(C)c(=O)n(C)c(=O)c2c1
Cc1nn(c(Cl)c1C1C(C#N)C(=N)OC2=C1C(=O)CC(C)(C)C2)-c1ccccc1 |c:15|
OC(=O)c1ccc2C(=O)c3ccccc3-c3ncnc1c23
Nc1ccc(-c2ccc(N)cc2C(F)(F)F)c(c1)C(F)(F)F
Oc1cc2ccccc2cc1-c1nnc(S)o1
COc1ccc(CCNC(=O)CSc2nncn2N)cc1OC
Clc1ccc(cc1)-c1c[nH]n2c1nc1CCCCc1c2=O
O=c1c2c(-c3ccccc3CC22CCCC2)n2nnnc2n1Cc1ccccc1
COc1ccccc1OCCCn1c(C)c(C#N)c2ccccc12
Cc1cccc(N2CCN(CC2)C(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c2ccco2)c1C
Cc1ccc2cc(CN(Cc3cccs3)C(=O)c3ccco3)c3nnnn3c2c1C
COc1ccc(cc1)-n1nc2cc(C)c(NC(=O)C(C)C)cc2n1
CC(C)(C)CC(=O)N1CCC(CC1)c1nc2n(Cc3c(F)cccc3Cl)nnc2c(=O)[nH]1
Cc1ccc(cc1C)-c1cnc(N)n1C
COc1ccc(Cl)cc1NC(=O)CN1CCC(CC1)n1nnc2cc(C)ccc12
O=c1cc([nH]n1-c1nc2ccccc2s1)-c1ccccc1
Fc1cccc(Cl)c1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)C1CCCCC1
CC(C)Cn1c2CCCCc2c(O)c(C(=O)Nc2nc(C)cs2)c1=O
COc1cc(OC)cc(c1)-c1cc2nc3CCCCc3c(N3CCN(CC3)c3ncccn3)n2n1
CCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)n2CCCc3cccc(c23)c1=O
CCCCCCCCCCCCCCC[C@@H](O)[C@@H](N)CO |r|
C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@@H]2O
Cc1c2[nH]c3ccccc3c2c(C)c2cnccc12
Fc1ccc(cc1)C(N1CCN(C\C=C\c2ccccc2)CC1)c1ccc(F)cc1
c1ccc(cc1)[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)Cl)C(=O)O)N
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1
CCOC(=O)c1[n-]c2ccccc2c1[N+]#N
Clc1ccccc1CN(Cc1ccccc1)c1ncnc2nc[nH]c12
Cn1c(Oc2ccccc2NCc2cc(Br)ccc2O)cc(=O)n(C)c1=O
CCCCOc1ccc(cc1)-c1c(C#N)c(N)nc(SCC(N)=O)c1C#N
CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1C
CCOc1ccc(Nc2cc(C)nc(n2)-n2nc(C)cc2C)cc1
CCCCCCC(N=O)c1ccccn1
Cn1c(SCC(=O)Nc2cccc3ccccc23)nc(O)cc1=O
CCOc1ccc2[nH]c(=O)c(CN(CC3COCCO3)C(=O)C3CC3)cc2c1
CC1CCN(CC1)c1nc2ccccc2nc1C(C#N)C(=O)NC1CCCCC1
COCCNC(=O)c1c(NC(=O)c2ccco2)n(Cc2ccccc2)c2nc3ccccc3nc12
CC(NC(=O)Nc1nnc(s1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
CC(C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc21
Cc1cc(Oc2ccc(cc2)-c2ccccc2)nc(n1)N1CCOCC1
COc1cccc(c1)N1CCN(CC1C)c1ncnc2c3cc(F)ccc3[nH]c12
CC(C)(C)C1CCC2(CC1)C(C#N)C(=O)NC(SCC(=O)Nc1ccccc1)=C2C#N |c:29|
COC(=O)c1ccc(Oc2nc3ccccc3n3c(C)nnc23)cc1
COc1cccc(c1O)-c1nc(N2CC(C)CC(C)C2)c2ccccc2n1
COCCOC(=O)c1c(C)nc(SCC(=O)Nc2ccc(C)cc2)c(C#N)c1-c1ccco1
Nc1nonc1C(=O)NCCN=Cc1cc(Cc2ccccc2)cc(Br)c1O |w:11.11|
C(Nc1nc(nc2ccccc12)-c1ccccn1)c1ccco1
CCN(CC)c1ccc(cc1)-c1nn2c(nnc2s1)-c1ccccc1OC
Nc1nc2ccccc2n1N=Cc1ccc(o1)-c1ccccc1
COc1ccc(cc1)N1CCN(CC(=O)Nc2nc3CCC(C)Cc3s2)CC1
CC(C)Cn1c(N)c(C(=O)NCc2cccs2)c2nc3ccccc3nc12
CCCCN1C(=O)NC(=O)C(=C(CC)Nc2ccc3CCCc3c2)C1=O |w:11.13|
CCC(C)COC(=O)C(C#N)c1nc2ccccc2nc1N1CCCCC1
CCCCN1C(=O)NC(=O)C(=C(C)Nc2ccc(OCC)cc2)C1=O |w:11.11|
CCOC(=O)c1cnc(nc1N(CC)CC)-n1nc(C)cc1C
CCOC(=O)c1cnc(nc1Nc1ccccc1OCC)-n1cc(C)cn1
CCN(CC)c1ccc(NC(C)=C2C(=O)NC(=O)N(CC=C)C2=O)cc1 |w:10.10|
CCOC(=O)c1cnc(nc1NCc1ccccc1)-n1nc(C)cc1C
Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1ccccc1
O=C(OC1CN2CCC1CC2)C1c2ccccc2Oc2ccccc12 |TLB:2:3:7.6:9.10|
CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC)cc2O)cc1
Nc1c(c2nc3ccccc3nc2n1N=Cc1cccc(O)c1)S(=O)(=O)c1cccs1 |w:14.16|
CCCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OCC)cc2O)cc1
COc1cccc(Oc2c[nH]nc2-c2ccc(OCC(C)=C)cc2O)c1
CCCOC(=O)c1ccc(Oc2c(C)[nH]nc2-c2ccc(OC)cc2O)cc1
Clc1ccccc1COc1ccc(cc1)-c1nc(C#N)c(NCCCn2ccnc2)o1
CCc1nc2c3cnn(-c4cc(Cl)ccc4C)c3ncn2n1
CC(=C)COc1ccc(-c2n[nH]c(C)c2-c2ccccc2)c(O)c1
CCn1nc(NC(=O)c2ccncc2)c2cc3cc(C)ccc3nc12
Cc1cc(C)n(n1)-c1nc(NCCCO)c2c3CCCCc3sc2n1
COc1ccc(Oc2cnc(N)nc2-c2ccc(OCC(C)=C)cc2O)cc1
COc1ccc(cc1)C1CC(=O)c2cnc(nc2C1)N1CCN(Cc2ccccc2)CC1
Cc1nn2c(cc(nc2c1-c1ccccc1)C(C)(C)C)N1CCN(CC1)C(=O)c1ccco1
COc1ccccc1N1CCN(Cc2nc(N)nc(Nc3ccc(C)c(Cl)c3)n2)CC1
COc1ccc(Cn2c(nc3oc4cc(OC)ccc4c(=O)c3c2=O)-c2ccco2)cc1
Cc1cccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccccc3F)n2)c1
COc1ccc(Cn2c(nc3oc4ccccc4c(=O)c3c2=O)-c2ccco2)cc1
COc1ccc2c(c1)[nH]c1c2ncn(CCc2cnc[nH]2)c1=O
Cc1cccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccc(F)cc3)n2)c1
Cc1ccc(Nc2nc(N)nc(CN3CCN(CC3)c3ccccc3)n2)cc1Cl
Nc1nc(CN2CCN(CC2)c2ccc(F)cc2)nc(n1)N1CCCc2ccccc12
Nc1nc(CN2CCN(CC2)c2ccccc2)nc(n1)N1CCCc2ccccc12
COc1cc(cc(OC)c1OC)-c1c(C#N)c(N)nc2n(nc(C)c12)-c1ccc(C)c(C)c1
Oc1ccccc1-c1n[nH]c2C(=O)N(Cc3ccco3)C(c12)c1cccc(Cl)c1
CCSc1nnc(NC(=O)c2ccccn2)s1
Cc1cc(Nc2ccc(C)cc2)n(n1)-c1nc(C)cc(C)n1
CCSc1nnc(NC(=O)c2nc(-c3ccccc3)n(n2)-c2ccccc2)s1
CC(C)c1cc2c(CC(=O)NC3=NCCS3)coc2cc1C |t:11|
CC(C)c1oc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1O
CCOC(=O)c1cc(nc2n(CCC#N)nc(C)c12)-c1ccc2OCCOc2c1
Cc1noc(C)c1CSc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1
CCOC(=O)c1sc2ncnc(NCC(N(C)C)c3cccs3)c2c1C
O=S(=O)(Nc1cccc2ncccc12)c1cccs1
Cc1cc(no1)-n1c(C)cc(C(=O)CSc2nnnn2-c2ccc(C)cc2C)c1C
O=C(COC(=O)Cc1cn2ccsc2n1)Nc1nc2ccccc2s1
CN1Cc2cc(cnc2NC1=O)C(=O)c1cc(Cl)cc(CSc2ncccn2)c1O
CCCn1c(NC(=O)c2ccc(Cl)c(c2)S(=O)(=O)N2CCCC2)nc2ccccc12
O=C(NC1=NCCS1)c1cc(nn1-c1ccccc1)-c1ccccc1 |t:3|
Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(o3)-c3ccccc3)c2n1
CCCn1c(NC(=O)c2ccccc2)nc2ccccc12
CCN(CC)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2cc3OCCOc3cc2s1
Cc1ccsc1C(=O)OCC(=O)c1cc2ccccc2o1
Cc1nn(c(N)c1Sc1ccc(F)cc1)-c1nc(C)cc(C)n1
[H]C12CCC(C)(c3c1c(nn3-c1ccccc1)C(=O)Nc1nccs1)C2(C)C |TLB:10:6:25:3.2,THB:8:7:25:3.2|
N(c1nc2ccccc2[nH]1)c1ccccn1
Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCCC1
Cc1cc(Oc2ccc(Cl)cc2)nc(n1)-c1ccccc1O
Clc1cc(c(Cl)s1)-c1csc(NC(=O)c2cccs2)n1
N(C1=NC(=Nc2ccccn2)c2ccccc12)c1ccccn1 |w:4.4,t:1|
Cc1cc(NC(=O)CC2CCCC2)n(n1)-c1nc2ccccc2[nH]1
CCn1cnc2n(Cc3ccccc3)c(=O)n(CC(=O)Nc3cc(C)on3)c(=O)c12
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)N1CCN(CC1)c1cccc(C)c1C |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
O=C(Nc1nnc(s1)C1CC1)c1cc(nn1-c1ccccc1)-c1ccccc1
Cc1sc2ncnc(SCc3nnc(o3)-c3ccccc3)c2c1C
Cc1csc2nc(CSc3nc4ccccc4o3)c(Br)n12
Cn1cccc1C(=O)Nc1nc(cs1)-c1ccccn1
C(Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12)c1ccc2OCOc2c1
COc1cc2c(C#N)c(nc(N)c2c(N)n1)N1CCN(CC1)c1ccccc1OC
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)C(C#N)c1nc2ccccc2[nH]1 |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:1:9:3.12.5|
Cc1nn(-c2ccccc2)c2sc(cc12)C(=O)N1CCc2ccccc2C1
CN(C)Cc1nc2ccccc2c(=O)n1Cc1nc(cs1)-c1cc2ccccc2o1
CC1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
OC(=O)CSc1nnc(Cn2c3ccccc3sc2=O)n1-c1cccc(Cl)c1
Cc1cc(nc2ccc(NC(=O)c3ccc4OCOc4c3)cc12)N1CCN(CC1)c1ncccn1
Fc1ccc(cc1)-c1cc(nc(n1)N1CCCCC1)C(F)(F)F
CCOC(=O)c1sc2ncnc(N3CCN(CC3)c3ccc(OC)cc3)c2c1C
Cc1nn(-c2ccccc2)c2sc(cc12)-c1n[nH]c(=S)o1
COc1ccccc1Nc1oc2cc(=O)ccc2cc1C(N)=O
Cc1ccsc1C1CC(=Nc2ncnn12)c1cccc(Br)c1 |c:9|
Cc1conc1NC(c1cccs1)c1ccc2cccnc2c1O
CCCCCn1c(CN2CCN(CC2)c2cc(Cl)ccc2C)nc2n(C)c(=O)[nH]c(=O)c12
CCN(CC)C(=O)c1cc(on1)-c1ccc(Br)cc1
CN(C)c1ccc(cc1)C1CC(=Nc2ncnn12)c1ccc(Cl)cc1OC(F)F |c:12|
CC1CCN(CC1)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
CCN(CC)c1ccc(C=NC(C#N)C(=N)C#N)cc1 |w:10.10|
Cc1noc(C)c1S(=O)(=O)N(CCc1ccccc1)Cc1ccccc1
CCOC(=O)c1cccnc1SCC(=O)NC(C)CC
Oc1c(Cl)cc(Cl)c2CCCNc12
S=c1[nH]c2ccccc2c2nc(nn12)-c1ccccc1
CCCc1ccc(Oc2c[nH]nc2-c2ccc(O)c(C)c2O)cc1
CCOC(=O)c1sc(=S)n2c1[nH]c(=O)c1ccc(cc21)C(=O)OC
CC(C)c1ccc(cc1)-c1nc(nc2n[nH]c(N)c12)N1CCCC1
COc1cccc(c1)-c1cc(nc(n1)N1CCCCC1)C(F)(F)F
CN(c1ccccc1)c1nc(nc(n1)-n1ccnc1)N1CCCC1
C(CNc1ncnc2oc(c(-c3ccccc3)c12)-c1ccccc1)Cn1ccnc1
Cc1ccc(Cn2c3ccccc3c(=O)n(Cc3ccco3)c2=O)cc1
COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
CN(Cc1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(C)o1
Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cn(C)c(=O)c2n(C)c3ccccc3c12
C1CCN(C1)c1nc(nc(n1)-n1ccnc1)N(c1ccccc1)c1ccccc1
CC1CN(Cc2nc3n(C)c(=O)[nH]c(=O)c3n2CCCc2ccccc2)CC(C)O1
COc1cccc(c1)-n1nnc2c1ncn(Cc1ccccc1Cl)c2=O
COc1cccc(c1)-c1nn(C)c2sc(cc12)C(=O)Nc1ccc2OCCOc2c1
COc1ccc(cc1OC)C(=O)Nc1nnc(o1)-c1ccccc1
CC1CCN(CC1)c1nc(cc(n1)-c1ccc(C)cc1)C(F)F
Oc1cc(=O)[nH]c(SCc2ccc(Cl)cc2)n1
CCOC(=O)c1nnn(c1CN1CCC(C)CC1)-c1nonc1-n1cccc1
Cc1ccc(Cn2nnc3c2nc([nH]c3=O)C2CCN(CC2)S(=O)(=O)c2cc(C)ccc2C)cc1
FC(F)Oc1ccccc1C1CC(Nc2ncnn12)c1ccc(Br)s1
CCc1nc2n(ncc2c(=O)n1-c1ccc(OC)cc1)-c1ccc(Cl)cc1
C1CCCN(CC1)c1nc(nc(n1)-n1ccnc1)-c1ccccc1
Cc1cccc(NC(=O)c2cc3NC(CC(n3n2)C(F)(F)F)c2ccc3OCOc3c2)c1
COc1cccc(c1)-c1cc(nc(n1)N1CCC(C)CC1)C(F)(F)F
CCCCCNC(=O)c1ccc2c(c1)n1c([nH]c2=O)c(sc1=S)C(=O)NCC1CCCO1
Fc1cccc2sc(Nc3nnc(o3)-c3ccco3)nc12
COc1cc2[nH]c(=S)n3nc(CCn4nc(C)cc4C)nc3c2cc1OC
FC(F)(F)c1cc(nc(n1)N1CCCCCC1)-c1ccccc1
CCOc1ccc(cc1)-c1nc2SCCCn2c(=O)c1C#N
Oc1ccc2cc(C(=O)NCc3ccco3)c(=O)oc2c1
Cn1nnc(n1)-c1ccc(OCc2ccccc2F)cc1
O=C(CSc1nnc(Cc2ccccc2)[nH]1)Nc1oc(c(c1C#N)-c1ccccc1)-c1ccccc1
Cc1ccc(cc1)-n1c(N)c(sc1=S)-c1nc2ccccc2n1C
Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccn1
Clc1cccc(NC(=O)c2ccc(Br)o2)c1N1CCCC1
Cc1ccc(SCC(=O)C(C#N)c2nc3ccccc3s2)cc1
COc1ccc(cc1F)C(=O)c1ccc(cc1)N1CCN(CC1)C1CC(=O)NC1=O
CC(C)c1nc(N2CCCC2)c(C#N)c2CCCCc12
Cc1ccc(-c2cc([nH]n2)-c2cccc(F)c2)c(O)c1
CC1CC(C)CN(Cc2nc(N)nc(Nc3ccc4ccccc4c3)n2)C1
Cn1nnnc1SCC(=O)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
COc1cccc(c1)-c1nn(cc1C(=O)Nc1nccs1)-c1ccccc1
CC(=O)Nc1nc2ccccc2n1CCOc1ccccc1
Fc1ccc(cc1)C(=C/c1ccc(o1)N1CCCCCC1)\C#N
Cc1ccccc1-c1cc(n[nH]1)-c1ccccc1O
O=C(Nc1nc2ccccc2n1Cc1ccccc1)c1ccco1
Cc1cc2c(nc(SCC(=O)N3CCCc4ccccc34)n(Cc3ccco3)c2=O)s1
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(nc2c1)-c1ccncc1
CC(=O)Oc1ccc(cc1)-c1nc(no1)-c1cccnc1
Cc1nc(Nc2nc(cc(=O)[nH]2)-c2ccccc2)nc2ccccc12
CCC1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnnn21
COC(=O)C1C(C2=C(N=C1C)c1ccccc1C2=O)c1ccc(o1)-c1ccc(cc1)C(O)=O |c:6,8|
Oc1c(oc2ccccc2c1=O)-c1cccs1
Clc1ccc2[nH]c(=O)c(N3CCN(CC3)c3ccccn3)c(-c3ccccc3)c2c1
Cc1cccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc23)c1
CC1(C)CN=C(Nc2nc3ccccc3s2)S1 |t:4|
Clc1cccc(NC(=O)c2ccc3OCCOc3c2)c1N1CCCCC1
COc1cc(NS(=O)(=O)c2ccc(C)cc2)c2ncccc2c1
Brc1ccc(o1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccccc1
O=C(Nc1ccccc1N1CCCC1)c1ccc2OCOc2c1
CCOC(=O)c1c(C)n(C)c2ccc(OCC(O)Cn3nc(C)c(Br)c3C)cc12
COc1ccc2nc(sc2c1)-n1c(C)ccc1C
Oc1c(C(=O)CC2CCCCC2)c(=O)oc2ccccc12
Cc1ccnn2c(-c3ccccc3)c3c(n(C)c(=O)n(C)c3=O)c12
COc1ccc(cc1NC(=O)c1cccnc1)-c1nc2cc(ccc2o1)C(C)C
CN(c1nc(cs1)-c1sc(N)nc1C)c1ccc(O)cc1
Oc1cc(Cc2ccccc2)c(O)n1-c1nc2ccccc2n1CC=C |(10.07,1.41,;10.55,-.06,;12.01,-.53,;12.01,-2.07,;13.26,-2.98,;14.67,-2.35,;14.83,-.82,;16.23,-.19,;17.48,-1.1,;17.32,-2.63,;15.91,-3.26,;10.55,-2.55,;10.07,-4.01,;9.64,-1.3,;8.1,-1.3,;7.2,-2.54,;5.75,-2.07,;4.41,-2.84,;3.08,-2.07,;3.08,-.53,;4.41,.24,;5.75,-.53,;7.2,-.06,;7.68,1.4,;6.65,2.55,;7.13,4.01,)|
Clc1cccc(NC(=O)c2cc3ccccc3o2)c1N1CCCC1
Cc1ccc(cc1Cl)C(=O)N1CCOCC1
Brc1ccc(s1)C(=O)Nc1nnc(s1)C1CCCCC1
Nc1ccc2nc([nH]c2c1)-c1ccc(Cl)cc1
Oc1c(CN2CCc3ccccc3C2)cc(Cl)c2cccnc12
Clc1cccc(Nc2ncnc3n(ncc23)-c2ccccc2)c1
Cn1c2nc(N3CCC(Cc4ccccc4)CC3)n(Cc3ccccc3)c2c(=O)[nH]c1=O
O=C(CCc1ccccc1)Nc1nnc(o1)-c1ccc2CCCCc2c1
O=C(Nc1nc(cs1)-c1ccccn1)C1CC1
CCC(CO)Nc1ncnc2n(ncc12)-c1ccc(OC)cc1
COc1ccc(C(=O)Oc2ccc(cc2)C(C)=O)c(OC)c1
COc1cccc(c1)C(=O)Nc1nnc(o1)-c1cccs1
CC1CCN(CC1)c1cc(C)nc(n1)-n1nc(C)cc1C
COc1ccc(OCCn2c(NC(=O)c3ccco3)nc3ccccc23)cc1
Cc1cc(C)n(n1)-c1nc(C)nc(NCc2ccccc2)n1
O=c1[nH]c2Nc3ccccc3N=Cc2s1 |c:12|
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2c(c1)[nH]c(=S)n(CCC1=CCCCC1)c2=O |t:27|
Cc1cc(NC(=O)c2cnccn2)no1
Clc1ccc(NC(=O)Nc2ccc(cc2)C#N)cc1
Cc1ccc(-c2cc(n[nH]2)-c2ccccc2Cl)c(O)c1
CCCCC1CCC(CC1)c1nc(no1)-c1ccccn1 |(9.86,-7.75,;8.53,-6.98,;8.53,-5.44,;7.19,-4.67,;7.19,-3.13,;8.53,-2.36,;8.53,-.82,;7.19,-.05,;5.86,-.82,;5.86,-2.36,;7.19,1.49,;5.95,2.39,;6.42,3.86,;7.96,3.86,;8.44,2.39,;5.52,5.1,;3.99,4.94,;3.08,6.19,;3.71,7.59,;5.24,7.75,;6.14,6.51,)|
COc1cccc(c1)C(=O)Nc1cccc(c1)-c1nnc(o1)-c1ccccc1
CC(C)Cn1c2ccccc2c(O)c(C(=O)Nc2ccccc2S(N)(=O)=O)c1=O
CCNc1nc(NCC)nc(n1)-n1nc(C)cc1C
Cc1ccc(N=Cc2cccc(O)c2O)c(C)c1 |w:5.4|
COc1ccc(O)c(c1)-c1cc([nH]n1)-c1cccc(Br)c1
CC(C)(C)c1ccc(OCC(O)CS(=O)(=O)c2ccccn2)cc1
Cn1c(n[nH]c1=S)-c1cc(Br)ccc1O
Oc1ccc(Cl)cc1C(=O)CC(=O)c1ccccc1
CCCC(=O)NC(c1ccco1)c1cc(Cl)c2cccnc2c1O
c1cc(oc1/C=N/N2CC(=O)NC2=O)N(=O)=O
CO[C@]1(NC(=O)Cc2cccs2)[C@H]2SCC(COC(N)=O)=C(N2C1=O)C([O-])=O |c:21|
c1c(c(c(c(c1Cl)Cl)Cc2c(c(cc(c2Cl)Cl)Cl)O)O)Cl
CN(C)C(N)=NC(N)=N |w:5.5|
[#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8-])=O
c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4
c1cc(ccc1C(=N)N)OCCCCCOc2ccc(cc2)C(=N)N
CN(C)c1ncc(s1)C1=C(Cl)C(=O)C(N2CCCC2)=C(Cl)C1=O |c:9,t:20|
Clc1ccc(cc1)N1COC2C1c1cccc3cccc2c13
CCc1ccc(cc1)C1C2CC(CC=C2C(C#N)(C#N)C(=N)C1C#N)C(C)(C)C |c:14|
CC1=NN([C@@H](S1)c1ccc(C)cc1)C(Nc1nnc(C)s1)=Nc1ccc(cc1)C(C)(C)C |w:21.24,t:1|
CC1(C)Cc2c(cnn2-c2ccccc2)-c2c1c1ccccc1n2CC(O)CCl
Cc1cc(=O)[nH]c(SCC(=O)Nc2ccc(Br)cc2)c1C#N
Cc1cc2CSC(SCc2cc1C)c1c(O)ccc2ccccc12
Oc1ccc(Cl)cc1-c1cc([nH]n1)-c1cccc(Br)c1
CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3)c(=O)oc2=CC1=O |c:13,28,t:6|
COc1cc(\C=C2/SC(NS(=O)(=O)c3ccccc3)=NC2=O)c(cc1OC)[N+]([O-])=O |c:19|
Oc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(O)cc1
CCc1ccc2[nH]c(=O)c(cc2c1)C1C(C#N)C(=N)Oc2c1ccc1cccnc21
O=C(Cc1cccs1)NNC(=S)NC(=O)\C=C\c1ccccc1
CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(=O)c3ccco3)c21)C1CC1
OC(COc1ccccc1)C\N=c1/sc2ccccc2n1CC(O)COc1ccccc1
OC(CNCC1CCCO1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
O=C(Nc1ccc2nc([nH]c2c1)-c1ccc2nc[nH]c2c1)c1cccs1
O=c1[nH]c2cc3OCOc3cc2cc1CN(CCc1ccccc1)Cc1nnnn1CC1CCCO1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCC(CC1)c1nc2ccc(Cl)cc2[nH]1
CCCCNc1c2-c3ccccc3C(=O)c3cccc(n(C)c1=O)c23
CCCC(=O)NCCc1ccc(F)cc1
CCCCCCCCCCn1c2CCCc2c(=N)c2CCCc12
Cc1cc(C)n(n1)-c1nc(Nc2ccccc2C)nc(n1)-n1nc(C)cc1C
CC(C)C1C(N(C)C(CC1(O)c1ccccc1)c1ccccc1)c1ccccc1
[O-][N+](=O)c1ccc(Cl)cc1Sc1nc2ccccc2o1
COc1cccc(C=Nn2c(N)nc3ccccc23)c1OC
CCOc1ccc(Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)cc1
CCCc1sc(N=NCc2ccccn2)nc1-c1ccc(F)cc1 |w:6.5|
CCCc1sc(N=NCc2ccccn2)nc1-c1ccc(Br)cc1 |w:6.5|
Clc1ccc(NC(=O)C2CN(C(=O)C2)c2ccc(Br)cc2)cc1Cl
O=C(NC(=S)NNC(=O)c1ccco1)\C=C\c1ccccc1
Clc1ccc(cc1)-c1ccc(CN=Nc2cc(nc(n2)N2CCOCC2)N2CCOCC2)o1 |w:13.14|
Cc1cc(C)n(n1)-c1nc(Nc2ccccc2C(F)(F)F)nc(n1)-n1nc(C)cc1C
COC(=O)c1ccc(Oc2nc3n(C)c(=O)n(C)c(=O)c3n2CC=C)cc1
CC(C)(C)c1ccc(CN(Cc2ccco2)Cc2nnnn2C2CCCC2)cc1
CCc1c(C)nc2cc(nn2c1N1CCC(C)CC1)-c1ccc(OC)c(OC)c1
Cc1nn(C)c2nc(=O)n(C)c(=O)c2n1
CCOc1ccc2nc(NC(=O)CN3CCC(CC3)n3nnc4cc(ccc34)C(F)(F)F)sc2c1
C1CCN(CC1)c1nc(Nc2ccccc2)nc(n1)N1CCCCC1
CCC1CCCCN1c1cc(C)nc2cc(nn12)-c1cccc(C)c1
c1[nH]c2ccccc2c1-c1c2ccccc2nc2ccccc12 |(8.42,1.48,;7.95,2.94,;6.42,2.94,;5.4,4.09,;3.89,3.77,;3.41,2.31,;4.44,1.16,;5.95,1.48,;7.19,.58,;7.19,-.96,;8.52,-1.73,;9.9,-.9,;11.29,-1.7,;11.29,-3.3,;9.9,-4.09,;8.52,-3.27,;7.19,-4.04,;5.85,-3.27,;4.48,-4.09,;3.08,-3.3,;3.08,-1.7,;4.48,-.9,;5.85,-1.73,)|
Cc1[nH]n(C(N)=S)c(=O)c1N=Nc1c(C)cc(C)cc1C |w:10.10|
Cc1ccc(o1)C(=O)Nc1ncc(Cc2cccc(C)c2)s1
Cc1c(C#N)c2[nH]c(N)c(C#N)c(=C)c2c1=Cc1ccc(C)cc1 |w:16.18|
Clc1cccc(Cc2cnc(NC(=O)c3cccs3)s2)c1
CN1CCN(CC1)C1=Cc2cc(Cl)ccc2Sc2cc(F)ccc12 |t:8|
Brc1ccc(cc1)C(=O)C1=C(CCc2ccccc12)N1CCCC1 |t:10|
Cc1ccc(C=NNC(=O)C2=NNC(C2)(c2ccccc2)c2ccccc2)c(O)c1 |w:6.6,t:10|
[H]C12CCC(C)(C(=O)N(CSC(=S)NN=Cc3ccccc3O)C1=O)C2(C)C |w:14.13,TLB:7:6:25:3.2,THB:24:23:25:3.2|
CCOC(=O)c1c(COC)n(C)c2c1-c1cc(Br)ccc1C(=O)C2=O
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NS(=O)(=O)c1ccc(NC(=O)c2c(Br)c(C)nn2C)cc1 |TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
COC(=O)[C@@H]1[C@@H](C#N)C2(N(N1C#N)c1ccc(Cl)cc1)c1ccccc1-c1ccccc21
COC(=O)C1CN(C#N)N(c2ccc(Cl)cc2)C11c2ccccc2-c2ccccc12
CCOC(=O)c1c(NS(=O)(=O)c2ccc(Br)cc2)sc2CCCc12
Cc1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1
Clc1ccc(cc1)-c1csc2nc3cccc4cccc(c34)n12
CC(C)OC(=O)c1c(NS(=O)(=O)c2ccccc2)sc2CCCCc12
[O-][N+](=O)c1cc(C(=O)N\[NH+]=C\c2ccc[c-](CC=C)c2=O)n(Cc2ccccc2)n1
CC(=O)c1cccc2C(=O)C(Nc12)=C1Nc2ccccc2C1=O |w:10.10|
CC(C)COC(=O)c1cccc2C(N=O)c3ccccc3-c12
O=C1c2ccccc2CC1(Cc1ccccc1)Cc1ccccc1
CC(C)c1cc(C)cc(Oc2cnn(c(=O)c2Cl)C(C)(C)C)c1
Cc1ccc(Nc2nc3ccccc3[nH]2)nc1
CC(C)C1OC2C(N1c1ccccc1)c1cccc3cccc2c13
Cc1ccc(cc1)-n1c(=O)c2[nH][nH]n(CC(=O)N3N=C(CC3c3ccccc3)c3cccc4ccccc34)c2c1=O |c:19|
Nc1ccc2nc([nH]c2c1)-c1cc(Cl)c(N)c(Cl)c1
COc1ccccc1CNC(=O)c1ccc(o1)-c1ccccc1Cl
Clc1ccc(Cn2nc-3c(CCc4ccccc-34)cc2=O)c(Cl)c1
Cn1nc(c(CSc2cccc(Cl)c2)c1Cl)-c1ccccc1
Cc1ccc(C=CC2=NN(Cc3ccc(Cl)c(Cl)c3)C(=O)CC2)cc1 |w:6.6,t:7|
CCOC(=O)c1sc2nccc(N(C)C)c2c1NC=NOCc1c(F)cccc1Cl |w:19.21|
CCn1cc(C(=O)NCc2ccc3OCOc3c2)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=O)c1ccco1
CSc1nc2nccc(-c3ccc(cc3)-c3ccccc3)n2n1
C1CCC(CC1)Nc1nc(nnc1-c1ccccc1)-c1ccccn1
Clc1ccc(cc1)C(=O)Nc1nc(N2C(=O)c3ccccc3C2=O)n(n1)-c1ccccc1
CC(C)Nc1nc(NC(C)C)nc(SCCOc2ccc(C)cc2)n1
OCCNc1nc2-c3ccccc3CC3(CCCC3)c2c(=O)n1CC1CCCCC1
OC(C(=O)NNc1ccccc1Br)(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
OC(C(=O)NNc1ccccc1Cl)(c1cccc(c1)C(F)(F)F)c1cccc(c1)C(F)(F)F
FC(F)(F)c1cnc(C(N=O)c2ccc(Cl)cc2Cl)c(Cl)c1
Cn1nc(c(CSc2ccccc2Cl)c1Cl)-c1ccccc1
[O-][N+](=O)c1cccnc1N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1Cl
COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC1)c1ncccc1[N+]([O-])=O
CC(C)(C)c1ccc(Oc2cccc(c2)C2CC(=O)C(C3NCCc4ccccc34)C(=O)C2n2cncn2)cc1
Clc1ccc(cc1Cl)-c1n[nH]c2CCCc12
Clc1ccc(cc1Cl)-c1nnnn1-c1ccc(Cl)c(Cl)c1
Cc1ccc(Cn2ccc(=O)c(OCc3c(Cl)cccc3Cl)c2C)cc1
Cc1cc(=O)c(cn1Nc1ccc(Cl)cc1)C(O)=O
O=C1O\C(=C/c2ccccc2)C(=C1C#N)c1ccccc1 |c:12|
CC(C)(C)C1CCC2=C(C#N)C(=N)C(C#N)(C#N)C(C2C1)c1cccs1 |c:7|
Clc1cc(NC(=O)c2cccnc2)ccc1N1CCN(CC1)C(=O)c1ccccc1
Oc1c(CN2CCN(CC2)c2ccc(F)cc2)cc(Cl)c2cccnc12
Cc1ccc(NN=C(C#N)C(N)=S)c(C)c1 |w:6.5|
FC(F)(F)C(=O)C1=C(CCC1)NNC(=O)c1cccc(Cl)c1 |t:6|
CCC(C)Sc1nc(O)cc(=O)n1CC=C
Cc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2o1
CC(=C)C1Cc2c(C)nn(c2C1)-c1cccc2ccccc12
Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1 |w:5.5|
Clc1cc(Cl)cc(NC(=O)Nc2ccccc2)c1
CC(=O)C(Nc1ccc(Cl)cc1Cl)=NNc1cccc(Cl)c1 |w:13.14|
Cc1c(NCc2cc(Cl)cc(Cl)c2O)c(=O)n(-c2ccccc2)n1C
CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
Cc1n[nH]c(C)c1CCCOc1ccccc1
Cc1[nH]c2ccccc2c1\C=C1/N=C(OC1=O)c1ccc(F)cc1 |c:14|
Cc1nn(CC(O)CN2c3ccccc3Sc3ccccc23)c(C)c1Br
COc1ccc(cc1)-c1noc(n1)-c1ccccc1-c1ccccc1
[O-][N+](=O)c1cc(ccc1Sc1nc2ccccc2[nH]1)S(=O)(=O)C(F)(F)F
COc1ccc(cc1OC)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
COc1cc2c(C(=O)N3CCN(CC3)c3ccccc3C)c(C)oc2cc1Br
Cc1ccc(cc1)C(=O)N\N=C\c1ccc(s1)[N+]([O-])=O
CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N2CCCc3ccccc23)o1
Clc1ccc(-c2n[nH]c3CCCc23)c(Cl)c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(C)NC(=O)Cn1c(=O)[nH]c2ccsc2c1=O |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
[O-][N+](=O)c1cccnc1N1CCC(CC1)c1cc(n[nH]1)-c1ccc(Cl)cc1
COc1ccc(NC(=S)NC(NC(=O)c2ccc(Cl)cc2Cl)C(Cl)(Cl)Cl)c(c1)[N+]([O-])=O
Cc1nc2c(cnn2c(C)c1Cc1ccc(F)cc1Cl)C(=O)NCc1ccc2OCOc2c1
CC(C)CN1C(n2oc(=O)n(-c3ccc(Cl)cc3)c2=O)C(C)(C)SC1=S
CCN1\C(=C\c2ccc3ccccc3[n+]2CC)C=Cc2ccccc12 |c:19|
[O-][N+](=O)\C=C\c1c(OCc2ccccc2)ccc2ccccc12
Nc1nc(CN2CCC(Cc3ccccc3)CC2)nc(Nc2ccccc2)n1
CC(C)COc1ccc(cc1)-c1nn(cc1C(=O)Nc1nccs1)-c1ccccc1
COc1ccc(cc1)C(=O)c1c(oc2c1C(=O)c1ccccc1C2=O)C(F)(F)F
[H]C12CC3([H])CC([H])(C1)C(C(=O)OCCc1sc[n+](CC(=O)c4ccc(Br)cc4)c1C)C([H])(C2)C3 |TLB:10:9:5:1.8.2,THB:10:9:3.34.5:1.33.8,33:31:5:1.8.2,33:1:31.9.34:5,2:1:9:3.34.5,(1.92,.06,;2.25,1.56,;.74,1.49,;2.03,2.23,;3.04,1.07,;2.03,3.72,;3.32,4.46,;3.32,6,;2.25,3.17,;4.61,3.72,;5.69,4.81,;5.3,6.3,;7.18,4.41,;8.27,5.5,;9.76,5.1,;10.85,6.19,;12.37,5.95,;13.07,7.32,;11.98,8.41,;12.22,9.93,;13.66,10.48,;14.85,9.51,;13.9,12,;15.34,12.56,;15.58,14.08,;14.38,15.05,;14.62,16.57,;12.94,14.49,;12.7,12.97,;10.61,7.71,;9.23,8.41,;4.61,2.23,;6.08,1.78,;3.65,.83,;3.32,1.77,)|
Cc1ccc(cc1)C1CC(=NN1C(=O)c1ccc(Br)o1)c1cccs1 |c:10|
Oc1c(C=Nc2cccc3cccnc23)sc2ccccc12 |w:4.4|
CC12CC3(C)CC(C)(C1)CC(C2)(C3)C(=O)NC1=NCCS1 |t:19,TLB:13:10:2:6.8.5,13:10:8:3.2.5,7:6:2:10.11.12,12:10:8:3.2.5,THB:9:10:2:6.8.5,12:3:8:10.9.11,4:3:8:10.9.11|
CCn1c(SCc2ccccc2Cl)nc2ccccc12
OC(COc1ccc2ccccc2c1Br)Cn1cnc(c1)-c1ccccc1
Clc1ccc(NC(=O)N2CCC(=CC2)c2ccccc2)cc1Cl |c:11|
CC(Oc1ccc(Cl)cc1Cl)c1nc(no1)-c1ccc(NC(=O)c2ccco2)cc1
CC(C)C1Cc2c(CO1)sc1[nH]c(=S)n(Cc3ccccc3)c(=O)c21
O=C(OCc1ccccc1)c1cccc(c1)-c1nnn(Cc2ccccc2)n1
c1ccc(cc1)-c1noc(n1)-c1ccccc1-c1ccccc1
Oc1ccc2cc(C(=O)c3ccccc3)c(=O)oc2c1
Cc1ccc(cc1)S(=O)(=O)Nc1cc(C)c(O)c(c1)S(=O)(=O)c1ccc(C)cc1
CCOC(=O)C(=NNc1ccccc1)c1csc(Nc2ccccc2)n1 |w:6.6|
CCOC(=O)C(=NNc1ccc(OC)cc1)c1csc(Nc2ccccc2)n1 |w:6.6|
C(COc1ccc2CCCc2c1)Cn1cnc2ccccc12
COc1ccc(cc1)-c1cc2nc[nH]c(=O)c2s1
Clc1ccc(cc1)C1N2NC=NC2=NC2=C1CCc1ccccc21 |c:11,14,16|
CCOc1cc(CNc2ccc3CCCc3c2)ccc1OC
Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
CCOC(=O)N1CCC(CC1)N1Cc2cccc(C(=O)Nc3ccc(F)cc3)c2C1=O
CCOC(=O)c1ccc(NC2=CC(=O)C(=O)c3ccccc23)cc1 |t:10|
O=c1n(CCc2ccccc2)c(SCC#N)nc2ccc(cc12)N1CCOCC1
Cc1nn(Cc2ccc(o2)C(=O)Nc2nc3c(C)cccc3s2)c(C)c1Br
CCCCCCCCOC(=O)C1C(c2cccs2)n2nnnc2N=C1C |c:25|
Clc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1NC(=O)c1ccccc1
COC(=O)c1cn[nH]c1NC(=S)Nc1ccc(C)cc1Cl
Cc1oc(nc1Cn1cccc1C1=NC(CO1)c1ccccc1)-c1ccccc1Cl |t:14|
CCOC(=O)C1=C(C)[N+]2=C([N-]C1c1ccc(O)c(OC)c1)S\C(=C/c1cccc(c1)[N+]([O-])=O)C2=O |c:5,8|
CC1CCC(CC1)C(=O)c1c(O)c2ccccc2oc1=O |(3.08,1.83,;4.41,1.06,;4.41,-.48,;5.75,-1.25,;7.08,-.48,;7.08,1.06,;5.75,1.83,;8.41,-1.25,;8.41,-2.79,;9.75,-.48,;11.08,-1.25,;11.08,-2.79,;12.42,-.48,;13.79,-1.3,;15.19,-.51,;15.19,1.09,;13.79,1.89,;12.42,1.06,;11.08,1.83,;9.75,1.06,;8.41,1.83,)|
FC(F)Oc1ccc(NC(=O)Nc2cccc(c2)C(F)(F)F)cc1
CC(C)OC(=O)c1c(N)scc1-c1cc(C)ccc1C
C(N1CCN(CC1)c1nc2ccccc2c2ccccc12)c1ccccc1
Oc1cc(=O)cc[c-]1N=[NH+]c1ccc(cc1)[N+]([O-])=O |w:9.10|
Cc1cc(C=Nn2cnnc2)c(C)n1-c1ccc(OCc2ccc(Cl)cc2)cc1 |w:5.5|
Fc1ccc(CSc2nc3ccccc3[nH]2)c2ccccc12
COc1ccc(cc1)S(=O)(=O)Nc1cc2c3c(CC(C)(C)CC3=O)oc2c2ccccc12
Cn1cc(cc1C(=O)NN=C(N)COc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1Cl |w:9.9|
Cn1cc(cc1C(=O)NN=C(N)COc1cccc(c1)C(F)(F)F)C(=O)c1ccc(Cl)cc1Cl |w:9.9|
Fc1ccc(CON=CC2=C(Cl)c3ccccc3CC2)cc1 |c:9|
Cc1cc(C)c2nc(SCCc3ccccc3)nc(C)c2c1
Cc1cc(Nc2ccccc2)nn1C(=O)c1ccc(Br)cc1
COc1ccc2ccc3O[C@@]4(C=Nc3c2c1)N(C)c1ccccc1C4(C)C |c:11|
Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1cccc(C)c1)-c1ccccc1 |c:5,28|
COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2)nc(O)cc1=O |(11.08,-2.31,;12.42,-1.54,;13.75,-2.31,;13.75,-3.85,;15.08,-4.62,;16.42,-3.85,;16.42,-2.31,;15.08,-1.54,;15.08,,;13.75,.77,;12.42,,;11.08,.77,;9.75,,;9.75,-1.54,;8.41,.77,;7.08,,;5.75,.77,;4.41,,;4.41,-1.54,;3.08,-2.31,;5.75,-2.31,;7.08,-1.54,;13.75,2.31,;15.08,3.08,;15.08,4.62,;16.42,2.31,;16.42,.77,;17.75,,)|
COc1ccc(CCN2C(c3c(n[nH]c3C2=O)-c2ccccc2O)c2cccc(Cl)c2)cc1
CCCCCCc1nc2ccccc2c(=O)n1NC(=O)c1c(O)c2CCCCc2n(CC(C)C)c1=O
Cc1cccc(CS(=O)(=O)c2nnc(o2)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)c1
Brc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
Cc1nn(c2N=C3N(C(c12)c1ccc(O)c(O)c1)c1ccccc1N=C3Nc1ccccc1)-c1ccccc1 |c:5,28|
CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccccc2)C(=O)c2ccccc2C1=O |c:11|
CCOC(=O)c1cnc(nc1Nc1ccc(OC)cc1)-n1nc(C)cc1C
CCOC(=O)c1cnc(nc1Nc1ccc(C)cc1)-n1nc(C)cc1C
CCSC1=NC(C)=C(C(C1C#N)c1ccc(Cl)cc1)C(=O)OCC=C |c:6,t:3|
Oc1ccccc1NC1=CC(=O)C(=O)c2ccccc12 |t:9|
Brc1ccc(cc1)C1CN=NC11CCc2ccccc2C1=O |c:10|
CN1c2ccccc2C(C)(C)C11Oc2ccc3ccccc3c2N=C1 |c:27|
CCn1c(COc2ccc(C)cc2)nnc1SCc1ccc(cc1)C#N
COC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)n1nc(C)c(Br)c1C
Cc1oc-2c(c1C(=O)c1ccc(C)cc1)C(=O)C(=O)c1ccccc-21
CCOC(=O)c1c(NC(=O)c2c(N)n(CCCOC)c3nc4ccccc4nc23)sc2CCCCc12
COc1ccc(-c2n[nH]c(C)c2-c2ccc(Cl)cc2)c(O)c1
Cn1c2cccc3C(=O)c4ccccc4-c(c(NCCc4ccccc4)c1=O)c23
CCCCN(CCCC)c1cc(C)nc(n1)-c1ccccc1O
Cc1ccc(cc1)C1Oc2ccccc2C2=C1C(N1NC=NC1=N2)c1cccs1 |c:17,23,26|
CCC1(C)Cc2ccccc2-c2nc(oc(=O)c12)-c1ccccc1
Cn1c2ccccc2c(=O)c2c1nc(-c1cccs1)n(C1CCCCC1)c2=O
COC(=O)\C=C1\N(C(=S)N(C1=O)c1nc2ccccc2s1)c1ccc(F)cc1
O=C(Nc1ccc(cc1)-c1ccccc1)C1c2nc3ccccc3n2CCC1=O
Cc1cccc(CSc2ncnc3n(Cc4ccccc4)ncc23)c1
Cc1sc2nc(SCc3ccc(C)cc3)n(Cc3ccco3)c(=O)c2c1C
CCCC(=O)Nc1ccc2n(C)c(CCNC(=O)c3ccccc3)nc2c1
Brc1ccc(cc1)C1N2NC=NC2=NC2=C1C(Oc1ccccc21)c1ccncc1 |c:11,14,16|
COc1ccc(cc1O)-c1cc(=Nc2nc(c(C)s2)-c2ccccc2)c2ccccc2o1
Cc1nc(SCC(=O)c2cccs2)c2oc3ccccc3c2n1
Cc1nn(c(N)c1-c1ccc(Cl)cc1)-c1nc2ccccc2[nH]1
CC(C)(C)c1cc(NCCCn2ccnc2)n2ncc(-c3ccc(Cl)cc3)c2n1
FC(F)(F)c1cccc(c1)N1CCN(CC1)C1=C(NS(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:18|
Cc1ccccc1-n1cnc2cc(NCc3cccs3)ccc12
Cc1ccc2nc(Nc3nc(cc(=O)[nH]3)-c3ccccc3)nc(C)c2c1
CC1(C)Cc2nc3sc4c(OCc5ccccc5)ncnc4c3cc2CO1
Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1cccs1
Cc1cccc(NCc2nc3ccccc3n2Cc2ccccc2)c1
Cc1ccc2nc(SCC(=O)c3ccc(Cl)s3)[nH]c2c1
CCCn1c(NC(=O)c2cccc(C)c2C)nc2ccccc12
Cc1cc2ncn(-c3ncnc4sc5CCCc5c34)c2cc1C
Brc1ccc(cc1)-c1cn-2c(CCc3ccc4cccnc4c-23)n1
Clc1ccc(cc1)C1NC(=S)N=C2NC(N(C(=O)C12)c1ccc(Cl)cc1)c1ccc(Cl)cc1 |t:12|
CCOc1ccccc1OCC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl |w:14.14|
Cc1ccsc1C(=O)N(c1nc2ccccc2s1)c1c(C)cccc1C
CC1(C)N=C(N)NC(Nc2ccccc2)=N1 |c:15,t:3|
CC(=N)C(C#N)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1CC=C
CCOC(=O)c1c(N)sc(c1-c1ccc(Cl)cc1)C(O)(C(F)(F)F)C(F)(F)F
CCn1c(c[nH]c1=S)-c1ccccc1
Cc1cccc(C=c2sc(=CC(=O)C(C)(C)C)[nH]c2=O)c1
Cc1c(sc2nc3CCCn3c(=O)c12)C(=O)Nc1ccc(Oc2ccccc2)cc1
CCCSc1nsc(NC(=O)C(c2ccccc2)c2ccccc2)n1
Cc1cnc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)s1
CCN1\C(=C/C=C/C2=[N+](CC)c3ccccc3C2(C)C)C(C)(C)c2ccccc12 |c:7|
Fc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(cs2)-c2ccccc2)CC1
CSCC[C@H](NC(=O)c1nn(C)c(=O)c2ccccc12)c1nc2ccccc2[nH]1
Oc1ccc(CN2CCc3ccccc3C2)c2cccnc12
CCCc1ccc(cc1)-c1cc(N)[nH]n1
COc1cc(OC)cc(c1)C(=O)Nc1nc2ccccc2[nH]1
Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(o3)-c3ccc(Cl)cc3)c2n1
CC(=NNC(=S)NCC=C)c1ccccn1 |w:2.2|
CCN(CC)c1ccc(cc1)C(=O)OCc1cc(=O)oc2cc(O)ccc12
CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(cc2)S(=O)(=O)N2CCOCC2)c1CC
COc1ccc(cc1)-c1oc(NC(=O)CSc2nnc[nH]2)c(C#N)c1-c1ccc(OC)cc1
Cc1ccc(cc1)-n1c(c[n+]-2c1CCc1ccc3cccnc3c-21)-c1ccc(Br)cc1
[H]C12CCC([H])(C1)C(C2)C(C)n1c(COc2ccccc2F)nnc1SCC(=O)NC(=O)NC(C)C |TLB:9:7:6:3.2|
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1cc2ccccc2cc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
CCN1C(=O)C(C=NN=Cc2ccccc2)c2ccc(cc12)C1=NNC(=O)CC1 |w:7.7,9.9,t:25|
Cc1[nH]c2ccccc2c1C(c1c(C)[nH]c2ccccc12)c1ccccn1
COc1ccc(cc1)-c1oc(NC(=O)CCl)c(C#N)c1-c1ccc(OC)cc1
Cc1cc(NC(c2ccc(Cl)cc2)c2ccc3cccnc3c2O)no1
O=C(CCCSc1ccccc1)Nc1nc(cs1)-c1ccccn1
Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1
CC(CC(=O)Nc1nc2ccccc2[nH]1)c1ccccc1
CC(C)n1nc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c2ccccc2c1=O
Cc1cc(ccc1[N+]([O-])=O)C(=O)NCC(=O)OC(C(=O)Nc1cc(ccc1Cl)C(F)(F)F)c1ccccc1
CC(C)CCOc1ccc(C=NNC(=S)Nc2c(C)cccc2C)cc1 |w:11.11|
CC1CCc2c(C1)sc(c2C#N)-n1c(C)ccc1C |(3.08,-2.27,;4.41,-1.5,;4.41,.04,;5.75,.81,;7.08,.04,;7.08,-1.5,;5.75,-2.27,;8.54,-1.97,;9.44,-.73,;8.54,.51,;9.02,1.97,;9.5,3.44,;10.98,-.73,;11.88,-1.97,;11.41,-3.44,;13.35,-1.5,;13.35,.04,;11.88,.52,;11.41,1.98,)|
COC(=O)c1ccc(CSc2nnc(S)s2)o1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Cn1sc2ccccc2c1=O |TLB:8:1:12:6.9.5,THB:2:3:9:1.11.8,2:1:9:3.12.5|
CCOC(=O)C(=NNc1ccc(Cl)cc1)c1csc(Nc2ccccc2)n1 |w:6.6|
OC(CNCc1ccco1)Cn1c2ccc(Br)cc2c2cc(Br)ccc12
[#6]\[#6](-[#7]-[#7]-[#6](=O)-c1ccccc1-[#8])=[#6]-1\[#6](=O)-c2ccccc2-[#6]-1=O
Cc1ccc(Cl)cc1NC1=CC(=NS(=O)(=O)c2cccs2)c2ccccc2C1=O |w:12.13,t:10|
Cc1nc(N)sc1N=Nc1ccc(F)cc1 |w:8.9|
Cc1ccc(C)c(C=NNC(=S)NCCc2ccccc2)c1 |w:8.8|
CC1CC(CC(C)(C)C1)=NNC(=S)NCc1ccccc1 |w:9.10|
CC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1 |t:15|
CCOC(=O)c1c(C)oc2c1c(C(N1CCOCC1)c1ccccc1)c(O)c1ccccc21
Cn1c(N)c(C(=O)COC(=O)CCc2c[nH]c3ccccc23)c(=O)n(C)c1=O
CC1=C(C(NC(=S)N1c1ccccc1)c1cccc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)[N+]([O-])=O |t:1|
CCCCCn1c(N)c(-c2nc3ccccc3s2)c2c(nn(CC)c(=O)c12)[N+]([O-])=O
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)scc1-c1ccc(C)o1
FC(F)Sc1ccc(NC(=O)COc2cccc(Oc3ccccc3)c2)cc1
COc1ccc(cc1OC)C(=O)Nc1sc(C)c(c1C#N)-c1ccccc1
CCc1ccc2=NC(=O)C(NNc3nc(cs3)-c3ccccc3)=c2c1 |c:24,t:5|
Oc1ccc2ccccc2c1CN=Nc1nnc(-c2ncc[nH]2)c2ccccc12 |w:13.15|
OC(c1nnc(o1)-c1ccccc1)c1ccc(OCc2ccccc2)cc1
OC(=O)c1ccc(cc1)-n1cccc1\C=C1\SC(=O)N(Cc2ccccc2C#N)C1=O
CN1C(=S)NC(=O)\C(=C/c2cccn2-c2ccc3ccccc3c2)C1=O
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
COc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)-n2nc(C)cc2C)c1O |w:9.9|
Nc1[nH]n2c(nc3CCCCc3c2=O)c1N=Nc1ccc(Cl)cc1 |w:15.17|
CC(Sc1nnc(COc2ccccc2)n1CC=C)C(=O)NN=Cc1cc(Cl)ccc1O |w:22.23|
Oc1cccc(c1)-c1nc2ccc3ccccc3c2c2CCCc12
Oc1ccc(C=Nn2c3ccccc3c3ccccc23)cc1 |w:6.6|
Cc1cccc(NC(=O)c2sc(Cl)nc2-c2ccccc2)c1
CCCCCCCn1[nH]c(C)c(C(=O)c2ccccc2)c1=O
CC(C)OC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2C)c(C#N)c1C
COC(=O)C(Nc1ccccc1Cl)(c1cc(C)c(O)c(C)c1)C(F)(F)F
CC(C)c1ccc(cc1)-c1cc(C(=O)N2N=C(CC2(O)C(F)F)C(F)F)c2ccccc2n1 |c:16|
CCOc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)cc1
CC(C)Nc1nc(NC(C)C)nc(n1)N(C)N
Cc1ccc(cc1)-n1cc2c(nnc(C)c2n1)-c1cccc(Br)c1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)Nc1c(C)nn(Cc2ccc(Cl)cc2Cl)c1C |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
Clc1cccc(NC(=O)NNC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1
Oc1ccc(Cl)cc1C=NNC(=O)CSc1nnc(COc2ccccc2)n1CC=C |w:9.10|
COc1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccco1
Oc1c(cc(Br)ccc1=O)C(=O)\C=C\c1ccccc1
CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C(F)(F)F
Cc1cccc(C)c1OCC(O)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
CC(C)c1ccc(OCCc2c(C)n[nH]c2C)cc1
COC(=O)c1c(C)c(sc1NC(=O)c1ccccc1)C(=O)c1ccccc1
Cc1ccc(cc1)S(=O)(=O)CNC(=S)c1ccc2ccccc2c1
CCOC(=O)c1sc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2C)c(C#N)c1C
O=c1n(sc2ccccc12)-c1ccccc1
C\N=C1\S\C(=C/c2ccc(N3CCOCC3)c(F)c2)C(=O)N1C
CCc1sc(nc1-c1ccccc1)N(C(=O)Cc1ccccc1)c1ccc(F)cc1
Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cn(nc1-c1ccccc1)-c1ccccc1
CCCc1ccc(cc1)-c1cc(C(=O)N\N=C\c2ccc(o2)[N+]([O-])=O)c2ccccc2n1
Fc1cc(F)c(F)c(Cn2ccc(NC(=O)c3ccc(COc4ccc(Cl)cc4Cl)o3)n2)c1F
Clc1ccc(NC(=O)NNC(=O)Cn2nc(-c3ccccc3)c(-c3ccccc3)c(C#N)c2=O)cc1Cl
CCOC(=O)C1=NN(C(=O)c2ccc(C)cc2)C(O)(C1)c1ccc(Cl)cc1 |t:5|
COc1cc(CN=Nc2nc(Nc3ccc(C)cc3)nc(n2)-n2nc(C)cc2C)cc(OC)c1OC |w:7.7|
Clc1ccccc1CSc1nnc(NC(=O)C2COc3ccccc3O2)s1
CCSc1cc(nc(n1)-c1ccccc1)N1CCCC1
Cc1nnc(-c2ccccc2)c(=O)n1N=Cc1c(O)ccc2ccccc12 |w:14.15|
CC(C)Sc1cc(nc(n1)-c1ccccc1)N1CCCC1
COc1ccc(Cl)cc1C(=O)NNC(=S)NC(=O)c1cc(nc2ccccc12)-c1ccccc1
CC(C)Sc1cc(nc(n1)-c1ccc(F)cc1)N1CCCC1
CCOc1ccc(cc1)C(=O)NN=C(c1ccccc1)c1ccccn1
COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)Cc2cccs2)cc1
Oc1c(Br)cc(cc1CN=Nc1nnnn1-c1cccc2ccccc12)[N+]([O-])=O |w:10.11|
CC(C)C(NC(=O)C(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1
c1[nH]c2ccccc2c1-c1nnc(-c2ccccc2)c(n1)-c1ccccc1
COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)cc1OC |w:8.8|
Fc1ccccc1CNc1cc(Cl)cc(Cl)c1
Fc1ccccc1CNc1ccc(Cl)c(Cl)c1
CCc1sc(nc1-c1ccc(C)cc1)N(C(=O)Cc1ccccc1)c1cccc(F)c1
CC(=NNS(=O)(=O)c1ccc(Cl)cc1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 |w:2.2|
Cc1ccc(cc1)-c1n[nH]c(N)c1N=Nc1ccccc1C |w:14.16|
Cc1ccc(CN2CN(c3nc4ccccc4nc23)S(=O)(=O)c2cccs2)cc1
Nc1c(sc2nc(ccc12)-c1cccs1)C(=O)Nc1nc2ccccc2s1
Cc1cccc(NC(=O)c2c(N)n(CC=C)c3nc4ccccc4nc23)c1
OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
Cc1ccccc1N1CCN(CC1)C(=O)CCN1C(=O)c2ccccc2C1=O
CC1CCCC(C)N1c1nnc(NC(=O)c2cc(on2)-c2ccc(Br)cc2)s1
CC(=O)OCCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
OCCNc1cc(Sc2nc3ccccc3s2)c2nonc2c1[N+]([O-])=O
COc1cnc(nc1Oc1ccccc1Cl)-c1ccccn1
COc1cnc(nc1Oc1ccc(Cl)c2ccccc12)-c1ccccn1
COc1ccc(Oc2nc(nc3ccccc23)C(F)(F)F)cc1
Clc1ccc(SCc2cc(Cl)nc(n2)-c2ccccc2)cc1
CCOC(=O)c1cnn(-c2nc(cs2)-c2ccccc2)c1C(F)(F)F
CCOC(=O)c1cnn(-c2nc(cs2)-c2cccc(F)c2)c1C(F)(F)F
CC(=O)c1ccc(N2CCC(CC2)c2cc(n[nH]2)-c2ccc(Cl)cc2Cl)c(c1)[N+]([O-])=O
CSc1nc(Oc2ccc3ccccc3c2)c2sccc2n1
COc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(C)=O
CC(C)n1c2ccccc2c2oc(=O)cc(O)c2c1=O
COc1ccc(C=Nn2c(n[nH]c2=S)-c2cccs2)cc1 |w:7.7|
COC(=O)c1ccc(N2CCC(CC2)c2cc(n[nH]2)-c2ccc(OC)cc2)c(c1)[N+]([O-])=O
CC(C)(C)c1ccc(Cn2ccc(n2)-c2ccc3OCOc3c2)cc1
CCOC(=O)c1cnn(-c2nc(cs2)-c2ccccc2F)c1C(F)(F)F
COc1ccc(Cn2c(SCc3cc(C)ccc3C)nc3cc(OC)c(OC)cc3c2=N)cc1
COc1cc2CCN3C(Cc4c(cnc5c(cnn45)-c4ccc(F)cc4)C3=O)c2cc1OC
Cn1c(Sc2ccccc2Cl)c(C=O)c2ccccc12
COc1ccc(CN2C(=O)C(C=NOCc3ccc(Cl)cc3)c3ccccc3C2=O)cc1
COc1ccc(CN2C(=O)C(C=NOCc3ccc(C)cc3)c3ccccc3C2=O)cc1
COc1cnc(nc1Sc1ccc(Cl)cc1)-c1ccccn1
COc1ccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1
COc1cccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)c1
COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccco1
Fc1ccccc1C1Sc2ccccc2N=C2C1C(=O)c1ccccc21 |c:17|
Cc1cc(=O)n([nH]1)-c1nc(cs1)-c1ccccc1
[O-][N+](=O)c1cc(ccc1Cl)C(=O)Oc1ccc(cc1)-c1cnc2ccccc2n1
Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccc(Br)s1)-c1ccccc1 |w:8.9|
O=C(NNC(=S)NC(=O)c1ccco1)c1cccs1
CC1(C)CC(=O)C2=C(C1)N=C1C(C2c2ccc(Cl)cc2)C(=O)c2ccccc12 |c:6,10|
CC1(C)CC(CCS1)c1nc(cs1)-c1ccc(Cl)cc1
COc1ccc(NC(=S)Nc2nc(CC(=O)Nc3ccccc3OC)cs2)cc1
Cc1ccc(CNC(=O)c2ccc(o2)[N+]([O-])=O)cc1
COC(=O)c1c(NC(NC(=O)C(C)(C)C)C(Cl)(Cl)Cl)sc2CCCc12
Clc1ccc(Cl)c(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)c1 |w:15.14|
Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccc(Cl)s1)-c1ccccc1 |w:8.9|
Cc1cc(C)c(-c2noc(C(=O)OC(C)(C)C)c2C(=O)OC(C)(C)C)c(C)c1 |(8.75,-7.05,;8.75,-5.51,;7.42,-4.74,;7.42,-3.2,;5.9,-2.94,;8.75,-2.43,;9.28,-.99,;10.76,-.56,;10.82,.98,;9.37,1.5,;8.94,2.98,;7.45,3.36,;10.01,4.09,;9.59,5.57,;9.16,7.05,;11.07,6,;8.11,5.15,;8.42,.29,;6.88,.34,;6.07,-.96,;6.16,1.7,;4.62,1.76,;3.08,1.81,;4.67,3.3,;4.57,.22,;10.09,-3.2,;11.42,-2.43,;10.09,-4.74,)|
[H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1ccc(OC)cc1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:25:3.2|
COc1ccccc1-c1n[nH]c2[C@@H](CC[C@@H](C)c12)C(C)C
COc1ccc(C=NNC(=O)Cc2csc(Nc3cccc(c3)C(F)(F)F)n2)cc1C
CCCCSc1ccc2nc(cn2c1)-c1ccc(cc1)C#N
Cc1nnc(-c2cccc(Br)c2)c2cn(nc12)-c1ccc(Br)cc1
CCCSc1cc(nc(n1)-c1ccccc1)N1CCCC1
Clc1ccc(c(Cl)c1)-c1cc(C(=O)NNC(=O)Nc2ccccc2)c2ccccc2n1
CCCCNC(=O)c1onc(CSc2ccc(cc2)C(C)C)c1C(O)=O
CCOc1cc(\C=C2\NC(=S)NC2=O)ccc1OCc1ccc(cc1)[N+]([O-])=O
Fc1ccccc1-c1nnn(CC(=O)N(CC(=O)NCc2ccccc2)c2cccc3CCCCc23)n1
CC(C)c1ccc2nc3sc(C(=O)N4CCc5ccccc5C4)c(N)c3cc2c1
C1C(N(N=C1c1cccs1)c1ccccc1)c1ccco1 |c:3|
N=c1n(Cc2ccco2)cnc2oc(c(-c3ccccc3)c12)-c1ccccc1
Clc1cccc(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c1
Clc1c(sc2ccccc12)C(=O)Nc1nccs1
Clc1ccc(C=NN=C(Nc2ccccc2)c2ccccn2)c(Cl)c1 |w:7.6,5.4|
CCc1c(C)sc2nc(nc(SCC(=O)N3CCc4ccccc4C3)c12)C(C)C
Cc1cccc(CC(Cc2nc3ccccc3[nH]2)c2nc3ccccc3[nH]2)c1
COc1cccc(c1)N=Nc1c(N)[nH]n2c1nc(cc2=O)-c1ccccc1 |w:9.10|
Clc1ccc(cc1Cl)-c1cc(C(=O)NNC(=O)Nc2ccccc2)c2ccccc2n1
Cc1nn(Cc2c(F)c(F)c(F)c(F)c2F)c(C)c1NC(=O)c1ccc(COc2ccc(C)cc2[N+]([O-])=O)o1
[O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2ccccn2)c1=O |w:10.9|
FC(F)(F)c1cc(ccc1Cl)N(CC(=O)NN=Cc1cccc2OCCOc12)S(=O)(=O)c1ccccc1
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(C)cc3C)cc2)no1
Oc1ccc(C(=O)NNc2c3ccccc3nc3ccccc23)c(O)c1
CCc1nc(SCC(=O)N2C(C)Cc3ccccc23)c2c(C)c(C)sc2n1
Cc1cc(N2CCN(CC2)c2ccccc2Cl)n2cc(nc2n1)-c1ccccc1
COc1ccc(Cn2c(SCc3ccc(C)cc3)nc3cc(OC)c(OC)cc3c2=N)cc1Cl
Clc1ccc(COn2c(nc3ccccc23)-c2ccc(Cl)cc2)cc1
COc1ccc(cc1)C(=O)OC1CCN(CC1)c1ncc(cc1Cl)C(F)(F)F
CN(C)CCN=CC(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl |w:5.4|
Clc1ccc(cc1)C(=O)c1cnc(Nc2ccccc2Cl)s1
Clc1ccc(Cn2nc(-c3ccccc3)c(cc2=O)N2CCCCC2)c(Cl)c1
Clc1ccc(C(=O)c2cnc(s2)-c2ccccc2)c(Cl)c1
Clc1ccc(cc1)-c1cc2ccccc2nc1N1CCCC1
Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1-c1csc(Nc2cccc(F)c2)n1
Cc1ccc(cc1)S(=O)(=O)N1C(COc2ccccc12)C(C)(C)C
FC(F)(F)c1nnc(NC(=O)CSc2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)s1
OC(=O)c1cnc(nc1Sc1ccc(Cl)cc1Cl)-c1ccccc1
CCNc1nc(Oc2c(Cl)cccc2Cl)cc(n1)C(F)(F)F
CC(C)Nc1nc(Oc2cccc(Cl)c2Cl)cc(n1)C(F)(F)F
Clc1ccc(NC(=S)NC(NC(=O)c2ccco2)C(Cl)(Cl)Cl)cc1Cl
Clc1ccc(cc1)S(=O)c1snnc1C(=O)Nc1ccccc1
FC(F)(F)c1cnc(Cc2ccc(s2)C(=O)CCl)c(Cl)c1
Cc1ccccc1C(=O)Nc1nc(=S)ss1
Clc1cc(CSc2ccccc2)nc(n1)-c1ccccc1
COc1ccc(cc1)C(=O)Nc1ccccc1-c1nnn(CC(=O)Nc2ccc3OCCOc3c2)n1
Clc1ccc(Oc2ccccc2\C=C2/SC(=O)NC2=O)cc1
CN(C)c1nc(SCc2ccccc2Cl)nc2CCCCc12
Clc1ccc(CN2c3cc(Cl)ccc3SCCC2=O)cc1
Cc1cc(-c2c(C)[nH]n(-c3ccc(Cl)cc3)c2=O)n(n1)-c1ccc(Cl)cc1 |(3.56,4.89,;4.46,3.64,;6,3.64,;6.48,2.18,;7.94,1.7,;8.42,.24,;7.52,-1.01,;9.96,.24,;10.44,1.7,;11.9,2.18,;13.05,1.15,;14.51,1.62,;14.83,3.13,;16.29,3.61,;13.69,4.16,;12.22,3.68,;9.19,2.61,;9.19,4.15,;5.23,1.27,;3.99,2.18,;5.23,-.27,;3.9,-1.04,;3.9,-2.58,;5.23,-3.35,;5.23,-4.89,;6.57,-2.58,;6.57,-1.04,)|
Cc1cc(n[nH]1)-c1c(C)[nH]n(-c2ccc(Cl)cc2)c1=O
Sc1nnc(o1)-c1cc2CCc3ccccc3-c2s1
CN1C[C@@H](c2ccc(Cl)c(Cl)c2)[C@@]2(COc3ccccc3C2=O)[C@@]11C(=O)Nc2ccccc12
FC(F)(F)c1cccc(NC(=O)c2cc3c(nc2C(F)(F)F)oc2ccccc2c3=O)c1
CCCCCCn1[nH]c(C)c(C(=O)c2ccc(Cl)cc2)c1=O
Cc1cccc(NS(=O)(=O)c2ccc(cc2)C2CCCCC2)c1
CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc2OCOc2c1 |w:2.2|
CC(=O)Nc1ccc(cc1)C#Cc1ccc(NC(C)=O)cc1
Cc1cccc(C)c1OC1(OC(=O)c2ccccc12)c1ccccc1
Cc1ccccc1OCC(=O)NC(=S)Nc1ccc(Br)c(C)n1
Clc1cc(NC(=S)NC(=O)C=Cc2ccco2)ccc1N1CCOCC1 |w:10.9|
CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(=O)n([nH]1)-c1ccccc1
CCCOc1cc(ccc1C=C(C#N)c1nc2ccc(C)cc2[nH]1)N(CC)CC |w:10.10|
CCCCC(CC)CN1C(=S)S\C(=C/c2ccncc2)C1=O
CCOc1cc(\C=C/[N+]([O-])=O)ccc1OCC(=O)Nc1ccccc1C
COc1cc(NC(=O)c2cc3nc(cc(-c4ccccc4)n3n2)-c2ccccc2)cc(OC)c1OC
COc1cc(C)ccc1OCCCOc1ccccc1Br
Cc1cccc(OCCCOc2cccc3cccnc23)c1C
COc1cc(OC)cc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
Cc1nnc(SCC(=O)NN=Cc2cn(nc2-c2ccc(C)cc2)-c2ccccc2)n1-c1ccccc1
Clc1cccc(c1)N=CC1Sc2ccccc2NC1=O |w:7.7|
Cc1cc(Cl)ccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
CC(=NNC(=N)Sc1cc(O)n(c1O)-c1ccc(Br)cc1)c1cccs1 |w:2.2|
O=C(N1N=C(CC1c1ccccc1)c1ccccc1)c1cccs1 |c:3|
Cc1ccc(NC(=O)c2ccc(cc2)C#CC2(O)CCCCC2)cc1C
CC(=NNC(=N)Sc1cc(O)n(c1O)-c1ccc(Cl)c(Cl)c1)c1cccs1 |w:2.2|
CCOC(=O)C1=C(Cc2ccc(CC)cc2)C(=O)c2ccccc2C1=O |c:5|
Cc1ccc(C=CC(=O)C2C(=O)c3ccccc3C2=O)cc1 |w:6.6|
CCOC(=O)c1sc(NC(=O)Nc2ccc(Cl)cc2)cc1C
Oc1c(Cl)cc(Cl)cc1C(C#Cc1ccccc1)N1CCOCC1
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccccc1
CC(=O)N(CCC(Cc1ccccc1)c1ccc2OCOc2c1)Cc1ccc(Cl)cc1
C(N=Nc1ncnc2sc3CCCc3c12)c1cccs1 |w:2.2|
Cc1ccc(Cn2c(Cc3ccccc3)nc3ccccc23)cc1
Cc1ccc(-c2csc(n2)-c2c[nH]c3ccccc23)c(C)c1
CCCCCCOC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O |w:10.10|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccccc1 |c:12|
NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(F)cc1)c1ccc(Br)cc1 |c:12|
Clc1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)nc1
Cc1cc(O)c(NC(=S)NC(=O)c2ccc(o2)-c2ccc(Cl)cc2)cc1C
Clc1ccc2nc(SCC=C)nc(-c3ccccc3)c2c1
CC(C)c1nc(NCc2ccccc2)c(C#N)c2CCCCc12
FC(F)C(F)(F)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1C(F)(F)F
CC(C)CC(=O)NC(NC(=S)Nc1sc2CCCCc2c1C#N)C(Cl)(Cl)Cl
Cc1sc(NC(=O)c2cc(nc3ccccc23)-c2cc(C)ccc2C)c(C(N)=O)c1C
COc1ccc(cc1NC(=S)NC(NC(=O)C(c1ccccc1)c1ccccc1)C(Cl)(Cl)Cl)[N+]([O-])=O
Cc1cc(C)nc(SCC(=O)NC2=NN=C(CS2)c2ccc(Br)cc2)n1 |c:14,t:12|
[O-][N+](=O)c1ccc(cc1)-c1nc(-c2cccs2)c([nH]1)-c1cccs1
CCC(=O)N(CCC(Cc1ccccc1)c1ccc2OCOc2c1)Cc1ccccc1F
Clc1cccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)c1 |w:14.13|
Cc1ccccc1C(=O)Oc1cccc(Nc2ncnc3ccccc23)c1
Cc1c(Cl)cccc1NC(=S)NCCC(c1ccccc1)c1ccccc1
Fc1ccccc1C(=O)Nc1ccccc1Sc1ccccc1
OC(=O)c1ccc(CSc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1
Clc1cccc(Cl)c1Cn1nc(-c2ccccc2)c2ccccc2c1=O
Clc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl
Cc1ccc(C)c(NS(=O)(=O)c2cc(ccc2Cl)C(=O)Nc2ccccc2C(=O)NCC=C)c1
[O-][N+](=O)c1ccc(NC(=S)NCCc2ccc(Cl)cc2)cc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1cc([nH]n1)C(=O)NN=Cc1c(C)nn(c1C)-c1ccccc1 |w:21.24,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5,2:3:9:1.11.8|
Clc1ccc(CSc2nccn2Cc2ccccc2)cc1
Oc1c(ccc2ccccc12)N=Nc1ccccn1 |w:11.12|
C1CCc2sc(Nc3cccc4ccccc34)nc2C1
CCOc1c(OC(C)=O)ccc(\C=C\c2ccc3cccc(OC(C)=O)c3n2)c1[N+]([O-])=O
Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1ccc2ccccc2c1)-c1ccccc1 |w:8.9|
Cc1nn(c(C)c1C=Nn1c(n[nH]c1=S)-c1ccc(cc1)C(C)(C)C)-c1ccccc1 |w:8.9|
O=C(Cc1ccccc1)NN=Cc1ccccn1
CNC(Sc1cc(O)n(c1O)-c1ccc(cc1)C(=O)OC)=Nc1cc(Cl)ccc1Cl |w:21.23|
N=C1N2C(SCc3ccccc3)=NSC2=NC(=O)\C1=C/c1cccs1 |c:12,16|
[O-][N+](=O)c1cccc(Cl)c1N1CCN(CC1)C(=S)NC(=O)c1cccs1
COC(=O)c1cccc(NC(=S)NCc2ccc(Cl)cc2)c1
Cc1ccc(Oc2ccc3C(=O)N(C(=O)c3c2)c2cccc3cccnc23)cc1
Fc1ccc(CSc2ncnc3sc4CCCCc4c23)cc1
Fc1ccccc1C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
Clc1cccc(Cl)c1CSCCNS(=O)(=O)c1ccc2OCCOc2c1
FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)cc2Cl)c1
O=C(CSC(=S)N1CCCCC1)Nc1nc(c(o1)-c1ccccc1)-c1ccccc1
Clc1ccc(cc1)-c1nn(cc1C=c1c(=C)[nH][nH]c1=O)-c1ccccc1 |w:12.13|
Cc1ccc(Oc2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(=O)(=O)Nc2nccs2)cc1
CCc1ccc2nc(sc2c1)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccs1
COc1ccc(cc1)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
FC(F)(F)c1cccc(NC(=O)\C=C\c2cccc(c2)C(F)(F)F)c1
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccccc1
Clc1cccc(NC(=S)NCCC(c2ccccc2)c2ccccc2)c1
CCc1nnc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(cc3)C(C)C)cc2)s1 |w:21.21|
COc1ccc(cc1)C1CC(=NN1C(=O)c1cccs1)c1ccccc1 |c:11|
Cc1cccc(NC(=S)NC(N)=Nc2nc(C)c3ccc(C)cc3n2)c1 |w:12.12|
CC(C)(C)c1nnc(NC(=O)c2cc(nc3ccccc23)-c2ccccc2)s1
Clc1ccc(CSCCNC(=S)Nc2ccccc2)c(Cl)c1
Clc1ccc(COc2ccc3ccccc3c2CN=O)cc1
CCc1ccc(\C=C2\SC(=S)N(CC(=O)Nc3nc4ccccc4s3)C2=O)cc1
Clc1ccc(NC(=S)NC(NC(=O)C=Cc2ccccc2)C(Cl)(Cl)Cl)cc1 |w:13.12|
COc1ccc(cc1)-c1oc2ncn(Cc3ccco3)c(=N)c2c1-c1ccc(OC)cc1
CCOc1ccc(cc1)C(=O)NC(=S)N(Cc1ccccc1)Cc1ccccc1
Cc1cc(C)c(CSc2nc(c[nH]2)-c2ccc(cc2)[N+]([O-])=O)c(C)c1
[O-][N+](=O)c1cc(ccc1NCCNC(=S)Nc1ccc(Cl)cc1)C(F)(F)F
Cc1nn(C(=O)c2cccnc2)c(C)c1Sc1ccc(Br)cc1
OC(COc1ccc2ccccc2c1)CN1CCC(CN2C(=O)c3cccc4cccc(C2=O)c34)CC1
CCN1C(=O)C(CC(=O)Nc2ccc(Br)cc2)N(CCCc2ccccc2)C1=S
Cc1ccc(cc1)C(O)(C(=O)NNc1ccc2ccccc2n1)c1ccc(C)cc1
Brc1cc2OCOc2cc1[C@@H]1Nc2ccccc2[C@@H]2C=CC[C@H]12 |r,c:22|
COc1cc(OC)cc(c1)\N=c1\c(nn(-c2ccc3OCCOc3c2)n1O)[N+]([O-])=O
C\C(\C=C1/SC(=O)N(CC(=O)Nc2ccc(O)cc2)C1=O)=C/c1ccccc1
CCOC(=O)c1c(NC(=S)NCCc2ccccc2)sc2COC(Cc12)C(C)C
Cc1oc(cc1C(=O)NCCc1ccccc1)-c1cc(Cl)cc(Cl)c1
COc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3ccc(cc3)C(C)(C)C)cc2)cc1OC
COc1ccc(CCNC(=O)c2cc(oc2C)-c2ccc(Cl)c(Cl)c2)cc1
CC(C)CC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CCCCC2)cc1
CC(=NNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Br)s1 |w:2.2|
COc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1OC
Cc1ccc(NS(=O)(=O)c2ccc(cc2)C2CCCCC2)cc1
COc1cccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)c1
OCCN(CCO)c1ccc(C(c2ccccc2Cl)c2ccc(cc2Cl)N(CCO)CCO)c(Cl)c1
CCOC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(OC)cc1 |t:5|
O=C(Cc1ccccc1)NN1C(=S)S\C(=C/c2c[nH]c3ccccc23)C1=O
COc1cccc(c1)C(=O)NC(=S)N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(F)(F)F
COc1cc(C=O)cc(CC=C)c1OCc1ccc(Cl)cc1Cl
CCOc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1
Cc1cc(C)c(C)c(OCCCOc2cccc3cccnc23)c1
[#6]-c1[n-]n(-c2ccc(cc2)-[#7+](-[#8-])=O)c(=O)c1\[#6]=[#7+](\[#6])-[#6]
Oc1ccc(NS(=O)(=O)c2cccc3ccccc23)cc1Sc1nc2ccccc2s1
Cc1ccc(cc1)-n1sc2ccccc2c1=O
Cc1ccc(s1)C(Nc1cccc(C)n1)c1ccc2ccc(C)nc2c1O
CCC(=O)Nc1ccc(Nc2nc(C)c(c(Nc3ccc(NC(=O)CC)cc3)n2)[N+]([O-])=O)cc1
Cc1[nH][nH]c(=O)c1C(c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12)c1c(C)[nH][nH]c1=O
CC(C)C(=O)NC(c1cccs1)c1cc([N+]([O-])=O)c2cccnc2c1O
[O-][N+](=O)c1ccc(cc1)-c1c[nH]c(SC(c2ccccc2)c2ccccc2)n1
CCCCCCCCOC(=O)C=Cc1c(C)[nH]c(=O)[nH]c1=O |w:11.10|
Cc1ccc(C)c(c1)C(=O)COC(=O)c1cc(Cl)nc2ccccc12
CCC(=O)NC(c1ccc(C)cc1)c1cc([N+]([O-])=O)c2cccnc2c1O
Clc1cc(Cl)c(NC(=S)NC(NC(=O)OCc2ccccc2)C(Cl)(Cl)Cl)c(Cl)c1
CC1(C)CC(C)(c2ccccc2)c2cccc3\C(C(=O)N1c23)=C1\SC(=S)NC1=O
Fc1ccc(cc1)-c1n[nH]cc1C=C1SC(=N)N(C1=O)c1ccccc1F |w:12.13|
Clc1cccc(c1)C(=O)NC(NC(=S)Nc1ccccc1Cl)C(Cl)(Cl)Cl
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccc(o1)-c1ccc(Br)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:2:1:9:3.12.5|
Nc1c(C#N)c(nn1CCO)C(=C/c1ccc(\C=C(/C#N)c2nn(CCO)c(N)c2C#N)cc1)\C#N
Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccs3)cc2)c1
C[C@@H](C[C@@H](O)[C@H](O)C(C)(C)O)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)C(=O)CC[C@]4(C)[C@H]3CC[C@@]12C |t:16|
COc1cc(c[c-](\C=[NH+]\NC(=O)C(C)Nc2cccc(C)c2)c1=O)[N+]([O-])=O
Oc1ccccc1C(=O)NN\C=C1/C=C2CCCN3CCCC(C1=O)=C23 |t:14,26|
Clc1ccc(cc1)S(=O)(=O)Nc1cccc2CCCCc12
Cc1nn(c(C)c1CN=Nc1nc2ccccc2[nH]1)-c1ccccc1 |w:9.10|
COc1cccc(Nc2c3CCCc3nc3c(c(C)nn23)-c2ccccc2)c1
Cc1ccc2nc(sc2c1)-c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
Oc1ccccc1C=NNC(=O)C(=O)CC1=NC2(CCCC2)Cc2ccccc12 |w:8.9,t:16|
CC(C)CC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:9,t:4|
CCC(C)N1C(=S)NC(=O)C(=CNNc2ccccc2)C1=O |w:11.11|
OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2ccccc2Cl)cc1 |w:9.9|
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc(nc4ccccc34)-c3ccc(Br)cc3)cc2)n1
Clc1ccc(C(=O)NNC(=S)NC(=O)c2cccnc2)c(Cl)c1
COc1cccc(C2C3=C(N=c4sc(=Cc5cccc(O)c5)c(=O)n24)c2ccccc2CC3)c1OC |c:8,t:10|
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N=NCc1ccccc1[N+]([O-])=O |w:17.18|
Clc1cccc(NC(=S)NC(=O)c2ccc3OCCOc3c2)c1N1CCCCC1
CCOC(=O)c1c(NC(=O)CCN2CCOCC2)scc1-c1ccc(C)cc1
CC(C)C(=O)Nc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
C(Oc1ccccc1)c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1
Cc1n[nH]c(=S)n1N=Cc1ccc(OCc2c(C)cc(C)cc2C)cc1 |w:7.7|
O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccccc1
COc1ccc2oc(=O)c(cc2c1)-c1csc(Nc2ccc(O)cc2)n1
Clc1ccc(cc1)C1Sc2ccccc2N=C2C1C(=O)c1ccccc21 |c:17|
Clc1ccc(NC(=O)ON=Cc2ccncc2)cc1Cl |w:9.8|
Cc1cc(N=NCc2ccc(O)c(C)c2O)nc(n1)-c1ccccc1O |w:4.3|
O=C(Oc1cccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCOCC2)c1)c1ccco1 |w:10.10|
Cc1cc(N=NCc2cccc(Br)c2)nc2ccccc12 |w:4.3|
COc1cccc(C=CC(c2ccc(Br)cc2)=c2c(=C)[nH]n(-c3ccccc3)c2=O)c1OC |w:9.9,8.8|
c1ccc(cc1)-c1cc(nc2ccc3ccccc3c12)-c1ccncc1
[H]C12C=CC([H])(C3C1C(=O)N(C3=O)c1ccc(C)cc1)C1=C(CC3C(C21)C(=O)N(C3=O)c1ccc(C)cc1)c1ccccc1 |c:2,t:23,TLB:11:6:25.20:2.3,21:20:7.6:2.3,THB:8:7:25.20:2.3,24:25:7.6:2.3|
O=C(Cc1cccs1)Nc1cccc(c1)-c1nc2cc3ccccc3cc2[nH]1
Cc1cc(C)c2C3C=CCC3C(Nc2c1)c1cc2OCOc2cc1Br |c:7|
O=C(COc1ccccc1)Nc1cccc(c1)-c1nc2ccccc2[nH]1
Oc1ccc(Br)c(C=NNC(=O)COc2ccc(cc2)-c2ccccc2)c1
CC(=C)CNC(=S)NNC(=O)CCn1c2ccc(Cl)cc2c2cc(Cl)ccc12
COc1ccccc1N=Nc1nc(c([nH]1)-c1ccccc1)-c1ccccc1 |w:8.8|
Cc1sc2ncnc(N=NCc3ccccc3O)c2c1C |w:8.7|
CC(CC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F)=NNC(=O)c1cc2ccccc2cc1O |w:17.18|
COc1ccc(cc1)-c1nc([nH]c1-c1ccc(OC)cc1)-c1ccc2OCOc2c1
CN(C)c1ccc(C=CC(C)=NNC2=NC(=O)CC(S2)C(=O)Nc2ccc(Cl)cc2)cc1 |w:11.11,7.6,t:13|
Clc1cccc(Cl)c1NC(=S)NC(NC(=O)OCc1ccccc1)C(Cl)(Cl)Cl
CCCCCCCCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccc(cc1)[N+]([O-])=O
CN(C)c1ccc(C=CC(C)=NNC2=NC(=O)CC(S2)C(=O)Nc2ccccc2)cc1 |w:11.11,7.6,t:13|
Cc1[nH]n(-c2ncc(s2)-c2ccccc2)c(=O)c1C(C(C#N)C#N)c1ccc(Br)cc1
COc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1
CC(=O)C1=C(C(=O)c2ccccc2C1=O)c1ccc(Br)cc1 |t:3|
Clc1ccc2nc(c(Nc3ccc4OCOc4c3)n2c1)-c1ccccn1
CCCCCCCc1nn2c(O)cc(=O)nc2s1
COc1ccc(cc1)-c1cc(nc(NCc2cccs2)n1)C(F)(F)F
CNC(=S)NN=Cc1cn(Cc2ccc(C)cc2)c2ccccc12 |w:5.4|
COc1ccc(C=c2sc(=CC(=O)c3ccc(C)cc3)[nH]c2=O)cc1OC
COc1cc2[nH]c(=S)n3nc(COc4ccccc4C)nc3c2cc1OC
CC(C)c1ccc(cc1)-n1cccc1\C=C1/C(=O)N=C2SC=CN2C1=N |c:23,t:20|
COc1cccc(C=NNC(=O)c2cnn(c2C(F)(F)F)-c2ccccc2)c1O |w:8.8|
Cc1cccc(NCC(=O)NN=Cc2cccc(Oc3ccccc3)c2)c1
COc1cc(CN=Nc2nc(Nc3ccccc3)nc(n2)-n2nc(C)cc2C)cc(OC)c1OC |w:7.7|
Clc1ccccc1C1C(C#N)C(=N)OC2=C1CCc1ccccc21 |c:15|
COc1ccc(CCCC(=O)NN=Cc2cccc(OC)c2O)cc1C |w:12.11|
CC(C)C(=O)NC(c1ccccc1)c1cc([N+]([O-])=O)c2cccnc2c1O
COc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCc3ccccc3C2)cc1
Clc1ccc(NCc2nn(CC(=O)c3ccc(Br)cc3)c3CCCCC[n+]23)cc1
Cc1cccc(c1)-n1c(N)c(-c2nc3ccccc3n2C)c2nc3ccccc3nc12 |(8.88,-7.09,;9.91,-5.94,;11.41,-6.26,;12.44,-5.11,;11.96,-3.65,;10.46,-3.33,;9.43,-4.48,;9.98,-1.87,;10.88,-.63,;12.42,-.63,;9.98,.61,;10.46,2.07,;11.91,2.54,;11.92,4.07,;13.07,5.1,;12.75,6.61,;11.28,7.09,;10.14,6.06,;10.46,4.55,;9.56,3.31,;8.02,3.31,;8.52,.14,;7.19,.91,;5.85,.14,;4.48,.96,;3.08,.17,;3.08,-1.43,;4.48,-2.22,;5.85,-1.4,;7.19,-2.17,;8.52,-1.4,)|
Nc1nc(NCc2ccco2)nc(N2CCCCCC2)c1[N+]([O-])=O
CC(=O)NS(=O)(=O)c1ccc(cc1)\N=c1/ssc2c1-c1ccc(C)cc1NC2(C)C
CCCCc1nc(NCc2ccccc2)c(C#N)c2CCCCc12
CCCc1nc(NCc2ccccc2)c(C#N)c2CCCCc12
CCCCn1c(NS(=O)(=O)c2ccccc2)c(c2nc3ccccc3nc12)S(=O)(=O)c1ccc(C)cc1
O=S(=O)(Nc1c(c2nc3ccccc3nc2n1C1CCCCC1)S(=O)(=O)c1ccccc1)c1ccccc1
CCCCCCCCCc1nc2sc3COC(C)(C)Cc3c2c(=O)n1NC(=O)c1ccccc1[N+]([O-])=O
Oc1c(C=NNC(=O)c2cccc3ccccc23)sc2ccccc12 |w:4.4|
Oc1cc(N(CCc2ccccc2)C(=S)Nc2ccccc2)c(O)n1-c1ccc(Br)cc1
CCCOc1ccc(Cc2c(Cl)nc(SC)nc2N(C)C)cc1
CCCOc1ccc(Cc2c(Cl)nc(SC)nc2OC)cc1
Fc1ccc(cc1)C(=O)NCC(=O)NN=Cc1cc(Br)ccc1OCc1ccccc1
[H]C12CCC(C)(C(C1)OCC[N+](C)(C)CC(=O)OCCCCCCC)C2(C)C |TLB:8:6:25:3.2|
O=c1[nH]c(NNC(=S)NCc2ccccc2)nc2-c3ccccc3CC3(CCCCC3)c12
COc1ccc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)c(OC)c1 |w:8.8|
COc1ccc(cc1)-c1c(C#N)c(N)nc2sc(C(=O)c3ccccc3)c(N)c12
Nc1nc(c(N=Nc2cccc3ccccc23)s1)-c1ccccc1 |w:6.6|
[O-][N+](=O)c1ccc(cc1)C(=O)C[n+]1cnn(CC(=O)c2ccc(Cl)cc2Cl)c1
[H]C12CCC(C)(C(C1)=NNC1=NC(=O)C(S1)=Cc1cccc(Br)c1)C2(C)C |w:8.9,16.18,t:11,TLB:8:6:24:3.2|
Oc1ccc(CN=Nc2nc(cc(n2)C(F)(F)F)-c2ccc(Cl)cc2)cc1 |w:7.7|
COc1ccccc1CN=Nc1cc(C)nc(n1)-n1nc(C)cc1C |w:10.11|
CCCC1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cc(C)cc(C)c1)C2=N |c:8,t:3|
Cc1onc(c1C(=O)NC(=S)NNC(=O)c1ccc(O)cc1O)-c1ccccc1
CCCn1nnnc1NC(=O)c1ccc2ccccc2c1
CCC(CC)C1=NN2C(S1)=NC(=O)\C(=C\c1cc(C)n(c1C)-c1cccc(C)c1)C2=N |c:10,t:5|
Cc1cccc(C)c1OC(=O)C(c1ccccc1)c1ccccc1
COc1cc(OC)cc(c1)C(=O)NC(=S)NNC(=O)Cc1cccs1
Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cc(Cl)ccc1Cl
CCOC(=O)c1[nH]c2ccc(F)cc2c1N=NN1CCSCC1 |w:16.18|
Oc1nc(Nc2ccc(Cl)cc2)sc1Cc1cccc(Cl)c1Cl
[#6]-[#6]-[#8]-[#6](=O)-c1c(-[#7]\[#6]=[#6]-2/[#6](=O)-[#6]-[#6]-[#6]-[#6]-2=O)scc1-c1ccc(-[#8]-[#6])cc1
Cc1nn(c(C)c1C=NNC(=O)c1cc(n[nH]1)-c1cccc2ccccc12)-c1ccccc1 |w:8.9|
[O-][N+](=O)c1ccc(NN=C(Sc2nnnn2-c2ccccc2)C(=O)c2ccccc2)cc1 |w:8.7|
CCOC(=O)c1[nH]c2ccc(Cl)cc2c1N=NN1CCSCC1 |w:16.18|
Cc1cccc(Nc2nnc(-c3ccc(N4CCOCC4)c(c3)[N+]([O-])=O)c3ccccc23)c1
Cc1nc2ccccc2n1\N=C\c1ccc(s1)[N+]([O-])=O
COc1ccccc1-n1cnc2n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc3c2c1=O
Cc1ccc(cc1)C(O)(C(=O)NNc1ccc2ccccc2[nH+]1)c1ccc(C)cc1
CC(=O)Oc1ccccc1C1=NN(C(C1)c1ccccc1)C(=O)C=Cc1ccccc1 |w:23.25,t:11|
Cc1cc(c(C#N)c(SCC(=O)Nc2nc3cc(Br)ccc3s2)n1)C(F)(F)F
Cc1ccc(cc1)S(=O)(=O)N1CC([C+]([N-]1)C(=O)C1CO1)c1cccc(c1)[N+]([O-])=O
CS(=O)(=O)Nc1ccc(cc1)C1=NN(C(C1)c1cccs1)C(=O)C1CCCCC1 |t:12|
COc1ccc(CNC(=O)c2c(C)oc3c2C(=O)c2ccccc2C3=O)cc1
CCc1ccc(NC(=O)c2ccc(F)c(c2)S(=O)(=O)NCC2COc3ccccc3O2)cc1
CCOC(=O)c1sc(Nc2nc3ccc(OC)cc3s2)cc1C
Cc1ccc2sc(NNC(=O)c3ccc4OCCOc4c3)nc2c1C
CCS(=O)(=O)Nc1ccc(cc1)-c1cc(-c2ccccc2)c2cc(C)ccc2n1
COc1ccc2ncc(c(N3CCN(CC3)c3ccccc3)c2c1)S(=O)(=O)c1ccccc1
CCOc1cccc2sc(Nc3nc4ccc(NC(C)=O)cc4s3)nc12
Cc1cc(C)c2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
Cc1ccc2nc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)sc2c1
COc1cccc(C2CC(=NN2C(=O)CSc2nc3n(ncc3c(=O)[nH]2)-c2ccc(F)cc2)c2cccs2)c1OC |c:9|
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)NNc1nc2c(C)cc(C)cc2s1
CC(C)c1cc(C)ccc1OCC(=O)NN=C(C)c1cc2ccccc2o1 |w:15.15|
O=C1N=c2ccccc2=C1NNC(=S)NCCc1ccccc1 |c:9,t:2|
NC1=NC(=NNc2nc(cs2)-c2ccc(F)cc2)c2ccccc12 |w:4.4,t:1|
CN1\C(=C/C(=O)Nc2ccc(Cl)cc2)C(C)(C)c2ccccc12
CC(C)c1ccc(NC(=S)Nc2ccc(C)c(c2)S(=O)(=O)N2CCCCCC2)cc1
CC(NC(=O)NC(c1ccc(C)c(F)c1)C(Cl)(Cl)Cl)c1ccccc1
O=C(NC(=S)Nc1sc2CCCCCc2c1C#N)C1CCCC1
Cc1ccc(CN2CC(CC2=O)C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1
CC1Cc2ccccc2N1C(=S)NC(=O)c1ccc(Cl)cc1Cl
CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccccc1C
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C1=NC(=S)NC(C1)c1cc(OC)ccc1OC |t:16,TLB:5:3:11:6.9.8,THB:2:3:9:1.11.8,5:6:11:3.12.2|
Cc1cc(C)c[n+](c1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:9|
Cc1cccc2sc(NNC(=O)c3ccc(cc3)S(=O)(=O)N3CCc4ccccc4C3)nc12
Fc1ccc(cc1)C1CC(=NN1C(=O)CSc1nc2n(ncc2c(=O)[nH]1)-c1ccccc1)c1cccs1 |c:10|
OC1=NC(=S)C(S1)=Cc1ccc(o1)-c1ccccc1Cl |w:7.8,t:1|
COc1ccc(NS(=O)(=O)c2ccc3nc(COc4cccc5ccccc45)[nH]c3c2)cc1
Cn1cnnc1SCc1ccc(cc1)C(=O)N\N=C1/C(=O)N(Cc2ccc(Cl)cc2)c2ccccc12
Fc1ccc(cc1)-c1csc2ncnc(N3CCc4ccccc4C3)c12
FC(F)(F)COc1cc(NC(=O)Nc2ccccc2)cc(OCC(F)(F)F)c1
Cc1ccc2nc(sc2c1)-c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1
Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(NC(=S)NC(=O)C3CCCCC3)c2)cc1Cl
Brc1ccc2[nH]c(C(=O)NN=Cc3c[nH]c4ccccc34)c(-c3ccccc3)c2c1 |w:10.9|
C[N+](C)(C)c1ccc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 |w:9.8|
[O-][N+](=O)c1ccc(cc1)C(=O)Oc1ccc(NC2=C(Cl)C(=O)c3ccccc3C2=O)cc1 |c:18|
O=C(NC(=S)N1CCN(CC1)C(c1ccccc1)c1ccccc1)c1ccc(cc1)S(=O)(=O)N1CCOCC1
Oc1c(Br)cc(Br)cc1Oc1ccc(Br)cc1Br
C(Nc1ncnc2sc(cc12)-c1ccccc1)C1COc2ccccc2O1
[O-][N+](=O)c1ccc(\C=N\NC(=O)CNc2ccc3ccccc3c2)o1
Cc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|
CCOC(=O)c1nn(-c2cccc(OC)c2)c2nc(Nc3ccccc3)cc(=O)n12
CCn1cc(Cl)c(n1)C(=O)N1N=C(CC1c1ccccc1O)c1ccc2ccccc2c1 |c:12|
CN(c1ccc(C)cc1)S(=O)(=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
O=C(NC(=S)Nn1cnc2n(ncc2c1=O)-c1ccccc1)c1ccc(Oc2ccccc2)cc1
Fc1cccc2sc(Nc3nc4cc5OCOc5cc4s3)nc12
CCOC(=O)c1ccc(NC(=O)Cc2sc(N=NCc3c[nH]c4ccccc34)nc2O)cc1 |w:16.15|
COc1ccc2nc(Nc3nc4cc5OCOc5cc4s3)sc2c1
O=C(NNC=C1C(=O)NC(=O)N(Cc2ccccc2)C1=O)c1ccccc1 |w:4.3|
CCOC(=O)C1=NN(C(=O)c2ccc(OC)cc2)C(O)(C1)c1ccc(Cl)cc1 |t:5|
[O-][N+](=O)c1ccc(NC(=O)Nc2nc(cs2)-c2ccc(Cl)s2)cc1
Cc1ccc(cc1)-c1csc(NNC(=O)c2ccccc2)n1
CC(=O)c1ccc(NC(=O)CN2C(=S)SC(=CC=Cc3ccccc3)C2=O)cc1 |w:16.16,18.18|
O=C(Nc1nnc(o1)-c1ccco1)c1ccc2ccccc2c1
Clc1ccc2nc(NNC(=O)c3cc(nc4ccccc34)-c3cccs3)sc2c1
Clc1c(sc2ccccc12)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]1
COc1ccc(NC2=NN=C(CS2)c2c(C)[nH]c3ccccc23)cc1 |c:9,t:7|
COc1cc(OC)cc(c1)C(=O)Nc1nnc(NC(=S)Nc2ccccc2)s1
NS(=O)(=O)c1ccc2n(CC#C)\c(=N\C(=O)c3cc(Cl)sc3Cl)sc2c1
Clc1nc2ccccc2nc1NS(=O)(=O)c1ccc2ccccc2c1
Fc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4CCCc4c3)c(Cl)cc2Cl)cc1
Cc1c([nH]c2ccc(Cl)cc12)C(=O)NN=Cc1ccc(Cl)cc1
CCC(=NNC(=S)Nc1cc(C)ccc1C)c1ccc(OC(F)F)cc1 |w:3.3|
Cc1ccc(Cl)cc1N1CCN(CC1)C(=O)c1cccc2c1oc(-c1ccccc1)c(C)c2=O
COc1cc2\C(C(=O)N3c2c(c1)C(C)=CC3(C)C)=C1\SC(=S)NC1=O |c:15|
C1Cc2ccccc2CN1c1ncnc2scc(-c3ccccc3)c12
CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(cs2)-c2ccc(cc2)-c2ccccc2)c1C
CC(CCc1ccccc1)NC(=O)C(=O)Nc1ccccc1C
CCOC(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)cc1C
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2ccc(cc2)C#N)s1
CC(Sc1nc2cc(ccc2n1-c1cccc(c1)C(F)(F)F)[N+]([O-])=O)C(=O)NC(N)=O
Nc1c(c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1)-c1ccccc1
Cc1ccc(NC(=O)c2cc(ccc2N2CCOCC2)N2C(=O)C=CC2=O)cc1Cl |c:25|
COc1cccc(\C=C(\C(=O)OCC(=O)NC2CCCC(C)C2C)c2ccccc2)c1
Cc1ccc(C)c(NC(=S)NN=C2CCCCc3ccccc23)c1 |w:11.10|
CN(Cc1nc(N)nc(Nc2ccccc2C)n1)Cc1ccccc1Cl
CC(N=Nc1ccc(Cl)c(Cl)c1)c1ccc(cc1)-n1ccnc1 |w:2.1|
CC(C)CN1C(=O)\C(=N/NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCC2)c2ccccc12
COc1cc(cc(OC)c1OC)C(=O)NC(=S)N(CCc1ccccc1)CCc1ccccc1
Cc1ccc(cc1)-n1c(SCC(=O)Nc2ccc3CCc4cccc2c34)nc(O)cc1=O
CC1(CCCCC1)C(=O)NC(=S)NNC(=O)c1ccncc1
Cc1sc2cc3-c4cccc5cccc(-c3c(C(=O)c3ccccc3)[n+]2c1C)c45
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(=O)NC(=S)N1CCN(CC1)c1ccc(F)cc1 |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)cc1C
CSc1c(SCc2ccccc2)cnn(Cc2ccccc2)c1=O
Fc1ccccc1NC(=O)CC1S\C(=N/c2ccccc2)N(CCc2c[nH]c3ccccc23)C1=O
CN1C(=O)NC(SC1=C(C#N)c1nnc(N2CCOCC2)n1-c1ccccc1)(c1ccccc1)C(F)(F)F |w:7.6|
O=C(NN=Cc1cccc2ccccc12)C(Cc1c[nH]c2ccccc12)NC(=O)c1cccs1
COc1cc(cc(OC)c1OC)C(=O)NNC(=S)NC(=O)c1ccccc1C
Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)c(-c3cc(ccc3O)-c3cc(O)c4c(cc(O)cc4=O)o3)c2o1 |(13.25,-26.01,;14.59,-25.24,;14.59,-23.7,;15.92,-22.93,;17.26,-23.7,;17.26,-25.24,;15.93,-26.01,;18.58,-22.93,;19.91,-23.69,;21.23,-22.92,;22.57,-23.69,;21.22,-21.4,;22.56,-20.64,;23.88,-21.41,;22.55,-19.1,;21.22,-18.33,;21.22,-16.79,;19.9,-19.11,;18.57,-18.34,;17.23,-19.1,;15.9,-18.33,;15.9,-16.79,;17.23,-16.02,;18.57,-16.79,;19.91,-16.02,;14.57,-19.09,;14.56,-20.65,;13.21,-21.42,;13.21,-22.96,;11.87,-20.64,;11.88,-19.08,;10.54,-18.32,;9.21,-19.09,;7.87,-18.32,;9.21,-20.64,;10.54,-21.41,;10.54,-22.95,;13.22,-18.3,;19.9,-20.64,;18.58,-21.4,)|
Cc1nn(c(N)c1N=Nc1cccc(C)c1C)-c1ccccc1 |w:8.9|
CCOC(=O)C(NNc1cc(Cl)ccc1Cl)=NC(C)(C)C |w:16.17|
O=C(Nc1nc(cs1)-c1ccc2ccccc2c1)\C=C/c1ccco1
Clc1ccc(cc1)C(=O)OCc1csc(Nc2ccccc2)n1
Oc1c(C=NNC(=O)C2COc3ccccc3O2)c2ccccc2c(=O)n1-c1ccccc1Cl |w:4.4,(5.83,3.13,;7.16,3.9,;8.49,3.13,;8.49,1.59,;7.16,.82,;7.16,-.72,;5.83,-1.49,;4.49,-.72,;5.83,-3.03,;7.16,-3.8,;7.16,-5.34,;5.83,-6.11,;5.85,-7.71,;4.47,-8.52,;3.08,-7.72,;3.09,-6.12,;4.49,-5.34,;4.49,-3.8,;9.83,3.9,;11.21,3.08,;12.6,3.87,;12.6,5.48,;11.21,6.27,;9.83,5.44,;8.49,6.21,;8.49,7.75,;7.16,5.44,;5.83,6.21,;4.49,5.44,;3.16,6.21,;3.16,7.75,;4.49,8.52,;5.83,7.75,;7.16,8.52,)|
CCC(CC)NC(=O)c1oc2ccccc2c1COc1ccccc1
NC(=O)c1ccc(NC(=O)COC(=O)c2c3CCC\C(=C\c4ccc5OCOc5c4)c3nc3ccccc23)cc1
Clc1cccc(NC(=O)Nc2cc(ccc2Cl)S(=O)(=O)N2CCCCC2)c1
CCc1cccc2c(c[nH]c12)C(=O)COC(=O)C=Cc1ccc(O)c(OC)c1 |w:18.20|
Clc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3cc4CCCCc4s3)c2)cc1
COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3ccc(Cl)cc3)c2)cc1
[O-][N+](=O)c1cc(ccc1N1CCN(CC1)c1ccccc1)S(=O)(=O)Nc1ccccc1
CN(C)c1ccc(\C=C\c2ccc3ccccc3[n+]2C)cc1
O=C(COC(=O)c1ccccc1)Nc1ccccc1Sc1ccccc1
FC(F)(F)c1ccc(Cl)c(NC(=O)C[n+]2ccc3ccccc3c2)c1
CC(C)[C@H](NC(=O)c1cccc(C)c1)C(=O)OCc1cc(=O)n2c(n1)sc1ccccc21
Cc1cc(C)c(C(=O)Nc2ccc(Br)c(c2)C(F)(F)F)c(C)c1
CCn1cc(C(=O)OCC(=O)c2cc(C)n(c2C)-c2cccc(c2)C(F)(F)F)c(=O)c2ccc(C)nc12
CC1CCN(CC1)c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12
COc1ccc(cc1OC)-c1nnc(SC(C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1N
Cc1[nH]c2ccccc2c1C1=NN=C(Nc2cccc(C)c2)SC1 |t:12,14|
CC(N=Nc1nc2ccccc2s1)c1ccc2OCOc2c1 |w:2.1|
S=C(NCC1CCCCC1)Nc1ccc(Oc2ccccc2)cc1
CC(C)c1ccccc1OCC(=O)NC1CCCc2ccccc12
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CN(C)Cc2cccc(Cl)c2Cl)c1
Cc1ccc(NC(=O)C(OC(=O)c2ccc(NC(N)=O)cc2)c2ccccc2)cc1Cl
Cc1nn(Cc2ccccc2Cl)c2sc(cc12)C(=O)Nc1ccccc1N1CCOCC1
CC(=N)C(C#N)C(=O)COC(=O)c1cc(nc2ccccc12)-c1ccc(Br)cc1
CCCN(CC(=O)Nc1cc(Cl)cc(Cl)c1)CC(=O)Nc1ccc(F)c(F)c1F
Cc1cc(NC(=O)\C=C\c2ccccc2Cl)n(n1)-c1nc2ccccc2[nH]1
CC1=C2C(C3=C(N=C2N(N1)c1ccccn1)c1ccccc1C3=O)c1c(C)cc(C)cc1C |c:1,4,6|
Clc1ccc(s1)S(=O)(=O)Nc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1
CCN(CC)c1ccc(C=NNC(=S)NCc2ccccc2)c(O)c1 |w:10.10|
NS(=O)(=O)c1ccc(NN=C2CCCCC2C2CCCCC2)c(c1)[N+]([O-])=O |w:9.8|
COc1ccc(cc1)-c1nc(NC(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)sc1C
COc1cc(CN=Nc2ncnc3sc4CCCc4c23)ccc1O |w:7.7|
Cc1cc(Br)c(OCc2ccc(cc2)C(=O)NN=C2CC3CCC=C23)c(Br)c1 |w:17.17,t:24|
Cc1ccc(cc1NC(=O)c1cc2CCCCc2s1)S(=O)(=O)Nc1ccc(Cl)cc1
CCOC(=O)c1sc2nc3c(SCC(O)=O)cc(cn3c(=O)c2c1C)C(=O)c1cc(F)ccc1O
Cc1ccc(cc1C)S(=O)(=O)NCC(=O)OCC(=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:21|
CCS(=O)(=O)N1Cc2ccccc2CC1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1
Cc1nn(c(Cl)c1C=NNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)-c1ccc(Cl)cc1
CN1C(=O)\C(=N/NC(=O)c2cc(nc3ccccc23)-c2cccs2)c2ccccc12
CCOc1cccc(CN=Nc2ccc(cn2)S(=O)(=O)N(CC)CC)c1O |w:10.10|
FC(F)(F)c1cccc(NS(=O)(=O)c2cc(NC(=O)c3cccs3)ccc2N2CCCC2)c1
COc1ccc(cc1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)Nc1cc2oc3ccccc3c2cc1OC
CC(C)c1ccc2=NC(=O)C(NNC(=O)c3cccc(c3)S(=O)(=O)N3CCCCC3)=c2c1 |c:31,t:6|
CCCCN1C(=O)\C(=N/NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c2ccccc12
Oc1ccc(N=Nc2ccc(NS(=O)(=O)c3ccccc3)cc2)c2ccccc12 |w:6.6|
CC(C)c1ccc(C)cc1OCc1ccc(cc1)C(=O)NN=Cc1cccc(O)c1O |w:21.22|
CN1C(=O)C(=NNc2nc(cs2)-c2ccccc2)c2ccccc12 |w:5.5|
Cc1cc(C)c(cc1C)-c1cc(NC(=O)COC(=O)c2ccc(CO)cc2)n(n1)-c1ccccc1
Oc1c(ccc2cccnc12)C(Nc1cccc(c1)C(F)(F)F)c1cccnc1
COc1ccc(NC(=S)NNc2ccc(cc2S(=O)(=O)Nc2ccc(C)cc2C)[N+]([O-])=O)cc1
Cc1noc(C)c1COc1cccc(c1)C(=O)Nc1ccc(C)c(c1)S(=O)(=O)Nc1ccccc1Cl
Cc1ccc(cc1)-c1csc2ncnc(NS(=O)(=O)c3ccc(Cl)cc3)c12
Brc1ccc(s1)S(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccc2ccccc2c1
COc1cc2nc(CSc3nc(cs3)-c3ccc(F)cc3)[nH]c(=O)c2cc1OC
FC(F)Sc1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)c(F)c4)cc3)sc2c1
COc1ccc2cc3c(N)nn(C(=O)C4CCC(CC4)C(C)(C)C)c3nc2c1 |(3.08,-.22,;4.42,.54,;5.75,-.23,;5.75,-1.84,;7.14,-2.63,;8.52,-1.8,;9.85,-2.57,;11.19,-1.8,;12.64,-2.27,;13.12,-3.74,;13.54,-1.03,;12.64,.21,;13.12,1.67,;12.09,2.82,;14.63,1.99,;15.11,3.45,;16.61,3.77,;17.64,2.62,;17.16,1.16,;15.66,.84,;19.15,2.94,;20.66,3.26,;18.83,4.45,;19.47,1.43,;11.19,-.26,;9.85,.51,;8.52,-.26,;7.14,.56,)|
COc1ccc(C2C(C(=O)c3ccccc3)C(C)=Nc3nc4ccccc4n23)c(OC)c1 |c:18|
[H]C12CC([H])(C=C1)C(C2C(O)=O)C(=O)Nc1sc(C)c(c1C(N)=O)-c1ccc(cc1)C(C)C |c:5,TLB:9:8:2:5.6,THB:12:7:2:5.6|
COc1cccc(c1)C(=O)N1C(CSC1c1ccccc1Cl)C(O)=O
CC(=O)N(c1ccc(Br)cc1)c1c(O)c2ccccc2c(O)c1N=C
Oc1c(ccccc1=O)C(=O)\C=C\c1ccccc1Cl
COc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1 |t:7|
Cc1ccc(cc1)-c1nnc(N(NC(=S)C(=O)Nc2ccccc2)c2ccccc2)n1-c1ccccc1
CCOC(=O)c1c(CN(C)C)n(-c2ccc(C)cc2)c2cc(Br)c(O)cc12
Cc1ccc(\C=C\C(=O)c2ccccc(=O)c2O)c(C)c1
CCOc1cc(\C=C2\NC(=O)N(CC)C2=O)cc(CC=C)c1OCc1ccc(cc1)C(O)=O
NNC(=O)C(=NNc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 |w:5.5|
O=C(NC(=S)N1CCN(CC1)c1nc(cs1)-c1ccccc1)c1cccnc1
COc1cc(\C=C2/S\C(=N/c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)ccc1OC(C)C(O)=O
Cc1cc(C)cc(NC(=S)NCCSc2ccc(Cl)cc2)c1
CC(=O)Nc1nc(NC(=O)\C=C\c2ccccc2)n(n1)-c1ccccc1
Cc1ccc(NC(=S)c2nc3ccccc3[nH]2)c(C)c1
CCOc1ccc(cc1[N+]([O-])=O)C(=O)NC(=S)Nc1ccc(NC(=O)CC)cc1
COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1ccc(C)cc1
Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1cccnc1
COc1ccc(cc1)C1CC(=NN1C(=O)c1ccc(Br)o1)c1cccs1 |c:11|
CCC\C=C(/CCC)C(NS(=O)(=O)c1ccc(cc1)C(F)(F)F)c1ccccc1
CCCC[C@H]1C[C@@H]1[C@H](NP(=O)(c1ccccc1)c1ccccc1)C1(CC(=C)c2ccccc2)CC1
CCC[C@@H]1C[C@@]1(CCC)[C@@H](NP(=O)(c1ccccc1)c1ccccc1)c1ccc(cc1)C(=O)OC
Cc1nc2c(snc2c(=O)[nH]1)C(=O)Nc1ccc(cc1)N1CCCC(O)C1
Clc1ccc(NC(=O)Nc2nccs2)cc1Cl
CC1=C(N2C(SC1)C(NC(=O)Cc1ccccc1)C2=O)C(O)=O |t:1|
CCOc1ccc(cc1)-c1nnc2ccc(SC(C)C)nn12
COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2ccco2)cc1OC
Cc1cccc2sc(NNC(=O)c3cc(=O)c4ccccc4o3)nc12
Cc1cc(C)c2nc(NNC(=O)c3cc(=O)c4ccccc4o3)sc2c1
Clc1ccc(cc1)C(=O)Nc1nnc(o1)-c1ccco1
CSc1nsc2nc(=O)c(\C=C3/C=Nc4ccccc34)c(N)n12 |c:12|
Brc1ccc(s1)C(=O)Nc1nnc(o1)-c1ccncc1
NC1=NC(=NNc2nc(cs2)-c2ccccc2)c2ccccc12 |w:4.4,t:1|
COc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)c(C)c2c1
O=C1Nc2ccc(c3cccc1c23)S(=O)(=O)Nc1cc2c3c(CCCC3=O)oc2c2ccccc12
OC(=O)CCn1cc(\C=C\C(=O)c2ccc(Cl)cc2)c(n1)-c1cccc(Br)c1
O=c1[nH]c(NNC(=S)NC2CCCCC2)nc2-c3ccccc3CC3(CCCC3)c12
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(NS(=O)(=O)c4cccc(c4)[N+]([O-])=O)cc3)sc2c1
[O-][N+](=O)c1ccc(o1)C(=O)[C-](C#N)c1[nH]c2ccccc2[nH+]1
Oc1cccc(C=c2sc3nc(c(-c4ccccc4)n3c2=O)-c2ccccc2)c1
NC(=O)NC(=O)CSc1nc2cc(ccc2n1-c1cccc(c1)C(F)(F)F)[N+]([O-])=O
CCC[N+]1(CC#CC2(O)CCCCC2)CCOCC1
O=C(COc1ccccc1)C(C#N)c1nc2ccccc2s1
FC(F)(F)c1cnc(NC(=O)CSc2nnc(o2)-c2ccc3OCOc3c2)c(Cl)c1
Fc1ccc(CSc2nnc(NC(=O)c3ccc4C(=O)N(C(=O)c4c3)c3ccccc3Cl)s2)cc1
CCc1cc(no1)C(=O)N1CCCC(CCC(=O)NCc2cccc(OC)c2)C1
CCOc1cc(CN=Nc2cccc(c2)C(O)=O)ccc1OC(=O)c1ccccc1 |w:8.8|
Cc1ccc(Cn2cc(C=NNC(=O)Cc3nnc(NC(=O)c4ccc(C)cc4)s3)c3ccccc23)cc1 |w:10.10|
CC1CCN(CC1)c1ncnc2sc(C(=O)N3CCC(Cc4ccccc4)CC3)c(C)c12
CC1CCN(CC1)c1nc(C)nc2sc(C(=O)Nc3ccccc3C(F)(F)F)c(C)c12
OC(=O)c1ccc(cc1)N=NCc1ccc(OC(=O)c2cccc(Cl)c2)cc1 |w:9.9|
Cc1n[nH]c(C)c1CCCOc1ccccc1C
Cc1ccc(NC(=S)NC(=O)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1
O=C(N1CCc2c([nH]c3ccccc23)C1c1ccccn1)c1cc(n[nH]1)-c1ccccc1
Brc1cc(Br)c2=NC(=O)C(NNC(=O)CCCCCNC(=O)c3ccccc3)=c2c1 |c:28,t:5|
C[C+]([N-]NC(=O)CNC(=O)c1cccnc1)c1cccc(c1)[N+]([O-])=O
Cc1ccccc1CN=Nc1nc2ccccc2[nH]1 |w:9.10|
COc1ccc(cc1NC(=S)NC(=O)c1ccc(o1)-c1ccc(Cl)cc1)C(O)=O
CCOC(=O)c1nc(Nc2ccc(Nc3ccccc3)cc2)c2ccccc2n1
Clc1cccc(c1)C(=O)Nc1nnc(o1)-c1ccccn1
COc1ccc(NC(=O)C(=O)NNC(=O)C(C)Oc2ccc(Cl)cc2Cl)cc1
[O-][N+](=O)c1cc(Cl)c[c-](C[NH+]=Nc2nc3ccccc3s2)c1=O |w:11.11|
COc1ccc(cc1)C(Nc1cc(C)ccn1)c1ccc2ccc(C)nc2c1O
COc1ccc2cc(ccc2c1)C(=O)C1CCCN(Cc2cccc(C)n2)C1
Cc1cc2NC(C)(C)c3ss\c(=N/c4ccc(cc4)S(N)(=O)=O)c3-c2cc1C
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C1=NC(=S)NC(C1)c1ccc2OCOc2c1 |t:16,TLB:8:1:12:6.9.5,THB:2:1:9:3.12.5,2:3:9:1.11.8|
CCn1cnc2sc(C(=O)Oc3cccc(C)c3)c(C)c2c1=O
NCCS(=O)(=O)NC1CCCCC1
CCc1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)c2ccccc2)o1
CC(C)(C)c1csc(NNC(=O)c2ccc(Br)cc2)n1
NC(=S)NN=Cc1c(OCc2ccccc2Cl)ccc2ccccc12 |w:4.3|
Cc1ccn2c(NC3CCCC3)c(nc2c1)-c1ccccn1
Cc1ccc(Nc2nc(N=NCc3ccc4OCOc4c3)nc(n2)N2CCOCC2)cc1 |w:9.8|
CCCCC(CC)C(=O)Oc1ccc(O)c(c1)C(C)(C)C
Cc1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1
Cc1ccnc(NC(c2ccsc2)c2ccc3ccc(C)nc3c2O)c1
CCOc1c(OC(C)=O)ccc(\C=C2/SC(=S)N(CC=C)C2=O)c1[N+]([O-])=O
O=C1NC(=O)\C(S1)=C/c1ccccc1OCc1ccccc1
COc1ccc(cc1)\N=C1/S\C(=C/c2ccc(OC(C)C(O)=O)c(OC)c2)C(=O)N1CCc1c[nH]c2ccccc12
CCOC(=O)c1ccc(NC(=S)NN)cc1
COc1cc(C=NNC(=O)c2cc(n[nH]2)-c2c(C)nn(c2C)-c2ccccc2)ccc1O |w:6.6|
CCN1C(=O)\C(S\C1=N/c1cccc(c1)C(O)=O)=C/c1ccc(o1)-c1ccc(cc1OC)[N+]([O-])=O
CCOC(=O)Cc1cc(=O)n2[nH]cc(-c3cccc(Br)c3)c2n1
Fc1ccccc1C(=O)NC(=S)Nc1ccc(cc1)-c1nc2ncccc2o1
COc1ccc(cc1)C(=O)[C-](\N=[NH+]\c1cccc(c1)[N+]([O-])=O)C#N
OC(=O)CCSc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
NC(=S)C(=NNc1ccc(cc1)S(=O)(=O)N1CCc2ccccc12)C#N |w:4.4|
COc1ccc(cc1C)-c1csc(Nc2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)n1
O=C(NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccco1
CC(C)C(N=Nc1ccccc1[N+]([O-])=O)c1ccccc1 |w:4.3|
CNc1nc(OC)nc(n1)N(CN1C(=O)c2ccccc2S1(=O)=O)C#N
CC1CCN(CC1)c1nc(nc(n1)N1CCCCC1)N1CCCCC1
CC(C)(C)C(=O)N1N=C(CC1c1cccs1)c1ccc(NS(C)(=O)=O)cc1 |c:7|
Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)c2cc(F)c(F)cc2Cl)C3=O)C(O)=O)s1 |t:7|
COc1ccc(cc1)-c1cc2nc(cc(N3CCCC(O)C3)n2n1)-c1ccccc1
CCc1ccccc1NC(=S)NCCSc1ccc(Cl)cc1
Cc1cnn(c1)-c1nc(cc(n1)-c1ccccc1)-c1ccccc1
OC(=O)CCCN1C(=S)S\C(=C/c2cn(nc2-c2cccs2)-c2ccccc2)C1=O
COc1ccc(CCNC(=O)C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)cc1OC
COc1ccc(NC(=O)c2ccc3SCC(=O)Nc3c2)cc1S(=O)(=O)Nc1ccc(Br)cc1
Cc1ncc(C=O)c(CNNC(=S)Nc2ccc(Cl)c(Cl)c2)c1O
Clc1ccc(CSc2nnc(NC(=O)c3ccc(cc3)C#N)[nH]2)cc1
Oc1nc(N=NCc2cccs2)sc1Cc1ccc(Cl)c(Cl)c1 |w:4.3|
CNS(=O)(=O)c1ccc(NC(=O)c2cnn3c(cc(nc23)-c2ccccc2)C(F)F)cc1
Cc1cc(NC(=O)c2sccc2C)n(n1)-c1nc2ccccc2[nH]1
[O-][N+](=O)c1cc(ccc1N[NH+]=C1C(=O)[N-]c2ccccc12)S(=O)(=O)Nc1cccc(Cl)c1 |w:10.10|
CC(=NNC(=S)Nc1cccc(C)c1)c1cc2ccccc2o1 |w:2.2|
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)o1
Brc1ccc(cc1)C(=O)NNC1=Nc2cccc3cccc1c23 |t:12|
OCc1ccc(o1)-c1cccc(NC(=S)NC(=O)c2cccs2)c1
CCCc1cc2c(cc(=O)oc2cc1OCc1ccc(o1)C(O)=O)-c1ccccc1
CCCCc1ccc(NC(=S)NCCc2ccc(F)cc2)cc1
Oc1cccc2ccc(\C=C\c3c(F)cccc3Cl)nc12
COCCCN1C(C)=C(C(=O)OC)\C(=C/c2ccc(CNS(=O)(=O)c3ccccc3)o2)C1=O |t:7|
Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccc(cc3)C(O)=O)ccc12
CCCCNC(=O)c1ccc(NC(C)=O)c(Cl)c1
FC(F)(F)c1cccc(Nc2nc(nc(n2)N2CCCC2)N2CCCC2)c1
Clc1cccc(NC(=O)NCC2CCN(Cc3ccccc3Cl)CC2)c1
COc1ccc(CSCCNC(=S)Nc2ccccc2)cc1Cl
COc1ccc(CCNc2nc(cs2)-c2ccccn2)cc1OC
COC(=O)CC1N(CCNC1=O)C(=S)Nc1ccc(Cl)cc1
CC(=O)Oc1ccc(C=NNS(=O)(=O)c2ccccc2)cc1
Cc1cc(NC(=O)c2ccc3OCCOc3c2)ccc1NC(=O)c1cc2ccccc2o1
CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc(C)o1 |w:2.2|
Cc1[nH]n2c(nc(C)c(Cc3ccccc3)c2=O)c1-c1ccccc1
COc1ccc(cc1)-c1nc(NC(C)=O)sc1-c1ccc(OC)cc1
[O-][N+](=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2F)cc1
CC1CCN(CC1)c1ccccc1NC(=O)COc1ccccc1C
CC(=O)c1ccc(NC(=S)Nc2ccc(Br)c(Cl)c2)cc1
COc1ccc(N2CCN(CC2)C(=S)NC(=O)c2cccs2)c(c1)[N+]([O-])=O
NC(=S)C(=NNc1ccc(cc1)S(=O)(=O)N1CCCCCC1)C#N |w:4.4|
CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccccc2)cc1
Clc1cc(Cl)cc(NC(=O)Nc2cccnc2)c1
Cc1ccc(NC(=O)C(=O)NN=Cc2cccc(CC=C)c2O)cc1 |w:11.10|
COc1ccc2nc(N=C(N)NC(=S)Nc3c(C)cccc3C)nc(C)c2c1 |w:8.7|
CCC1C(NC(C(CC)C1N=O)c1ccccc1)c1ccccc1
CC(C)C1Nc2c(O)cc(Cl)c(c2C2C=CCC12)[N+]([O-])=O |c:15|
COc1ccc(cc1)C(NC(=O)C(C)C)c1ccc2cccnc2c1O
Cc1cccc(CN2CCCC(C2)C(=O)c2ccc3CCc4cccc2c34)n1
CCc1ccc(CN(C)Cc2nc(no2)-c2cccc(Cl)c2)nc1
Cc1oc(nc1CN(CC1CCCO1)Cc1ccccn1)-c1ccc(F)cc1
CCn1ccnc1CN1CCc2c([nH]c3ccccc23)C1C1CCCCC1
COc1cccc(CN=Nc2cc(C)nc(n2)-c2ccccc2O)c1O |w:9.9|
COc1ccc(O)c(c1)C(=O)CC(=O)c1ccccc1C
CC(C)C(Sc1nc(cc(-c2ccccc2)c1C#N)-c1ccccc1)C(O)=O
Oc1ccc(Br)cc1CN=Nc1nc(nc(n1)N1CCOCC1)N1CCCCC1 |w:10.11|
CCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
CNC(=O)C(=C/c1cc(C)n(c1C)-c1ccc(cc1)N1CCOCC1)\C#N
CCC(=O)NC(c1ccc(OC)c(OC)c1)c1cc(Cl)c2cccnc2c1O
CC1(C)CC(=O)C2=C(C1)c1c(NC2c2cc(cc(c2O)[N+]([O-])=O)[N+]([O-])=O)ccc2ccccc12 |c:6|
OC(=O)c1ccc(cc1)N1CCCCS1(=O)=O
CCCCCCCCCCC(=O)NNC(=O)c1c(O)c2ccccc2n(CC)c1=O
CCCn1c2ccccc2c(O)c(C(=O)Nc2ncccc2C)c1=O
Oc1c(C(c2ccc(cc2)[N+]([O-])=O)c2c([O-])c3ccccc3oc2=[OH+])c(=O)oc2ccccc12
Cc1ccccc1-c1cc2nc(cc(=O)n2[nH]1)-c1ccc(cc1)[N+]([O-])=O
C=CCSc1nc2ccccc2c(=O)n1Cc1ccccc1
Cc1cc2nc(sc2cc1C)-n1c(O)c[nH]c1=S
COc1ccc(cc1)C1=NOC(CNC(N)=S)C1 |t:9|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)C(CCC)NC(=S)NCC1CCCO1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
Cc1ccc(SCc2cc(=O)[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1
CCCCCCCCCCCCOCn1c[n+](C)c2ccccc12
Cc1cc(C)nc(NC(N)=NCCc2c[nH]c3ccccc23)n1 |w:10.10|
Clc1cc(NC(=S)NC(=O)c2cccs2)ccc1N1CCOCC1
Cc1ccc(NC2=NCC(Cc3ccc(Br)cc3)S2)cc1 |t:6|
CCC(=NNC(=S)Nc1cccc(C)c1)c1ccccc1 |w:3.3|
S=c1[nH]c(SCc2ccccc2)nc2ccccc12
Oc1ccc(cc1Nc1ncnc2ccc(Br)cc12)[N+]([O-])=O
C[n+]1ccc(CN=Nc2nc(Cl)c(C#N)c(Cl)c2Cl)cc1 |w:7.7|
COC(=O)C=C1SC(Nc2ccc(Cl)c(Cl)c2)=NC1=O |w:4.3,c:17|
COc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1
Oc1nc(Nc2ccccn2)sc1Cc1ccc(Cl)cc1
CC[n+]1c(\C=C2/Sc3ccccc3N2C)ccc2cccc(C)c12
C(Cc1ccccc1)Nc1nc(cs1)-c1ccccn1
Cc1ccc(cc1)C(=O)n1c(N)nc2ccccc12
CC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1
Clc1ccc(cc1)-c1csc(n1)N1CCN(CC1)C(=S)NCc1ccco1
FC(F)(F)c1cc(nc2c(Cl)c(nn12)C(=O)NCCCn1ccnc1)-c1ccccc1
[O-][N+](=O)c1cccc(CN=Nc2nc(nc(n2)N2CCCCC2)N2CCCCC2)c1 |w:10.10|
CCN1\C(Sc2cc(C)c(C)cc12)=C/c1ccc2cc(C)ccc2[n+]1CC
Cc1ccccc1Nc1c(nc2c(C)cccn12)-c1ccccn1
NNC(=O)CSc1nc(nc2CCCCc12)-c1ccccc1
CCCCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1
CCN1\C(Sc2ccc3sccc3c12)=C\c1ccc2cc(C)ccc2[n+]1CC
CCCCCc1ccc(OCCCC[n+]2ccccc2)c(CCCCC)c1
CCCCCCCCCCCCCCCCn1cc[n+](C)c1
[O-][N+](=O)c1cccn(Cc2ccc(F)cc2Cl)c1=O
Cc1nnc(Sc2cc(NCCCO)c([N+]([O-])=O)c3nonc23)s1
Clc1cccc(c1)N1CCN(CCCNC(=O)Cc2csc(Nc3[nH]c(=S)nc4ccccc34)n2)CC1
COc1ccc(C=NNC(=O)c2cc(n[nH]2)C(C)(C)C)cc1COc1ccc(F)cc1F |w:7.7|
O=c1n(CCc2ccccc2)c(=S)[nH]c2ccc(cc12)N1CCOCC1
O=C1C=C(Nc2ccccc2)c2ccccc2C1=O |t:2|
COc1ccc(OC)c(CCNC(=O)C(=O)Nc2ccc3nc4CCCCCn4c(=O)c3c2)c1
CCC(C)(C)c1ccc(OCCCC[n+]2cccc(C)c2)c(c1)C(C)(C)CC
Cc1cccc(N2CCN(CC2)C(=O)c2ccc3nc(sc3c2)N2CCCCC2)c1C
Cc1ccc(Nc2nc3nonc3[nH]c2=O)cc1Cl
Oc1c(Br)cc(Br)c2ccc[n+]([O-])c12
Fc1cccc(F)c1CSc1nc2n[nH]cc2c(=O)n1-c1ccc(Cl)cc1
CN1C(=O)\C(Sc2ccc(cc12)C(=O)NCc1cccnc1)=C\c1ccccc1Cl
Cc1cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c(C)n1-c1ccc(F)cc1 |c:11,17|
CCOc1ccc(cc1)-n1c(C)cc(\C=C2\C(=N)N3C(SN=C3S(C)(=O)=O)=NC2=O)c1C |c:22,28|
Fc1ccc(Cn2cccc2C2=NC(CO2)c2ccccc2)cc1 |t:12|
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)c1ccc(COc3cccc(Cl)c3Cl)o1)C2=O)C(O)=O |t:5|
Cc1cccc(C)c1-n1cccc1\C=C1/SC(=S)N(C1=O)c1cccc(c1)C(O)=O |(3.08,-1.79,;4.41,-2.56,;4.41,-4.1,;5.75,-4.87,;7.08,-4.1,;7.08,-2.56,;8.41,-1.79,;5.75,-1.79,;5.75,-.25,;4.5,.65,;4.98,2.12,;6.52,2.12,;6.99,.65,;8.46,.18,;9.6,1.21,;9.44,2.74,;10.85,3.37,;11.17,4.87,;11.88,2.22,;11.11,.89,;11.74,-.52,;13.41,2.38,;14.04,3.79,;15.57,3.95,;16.47,2.7,;15.85,1.3,;14.32,1.14,;16.75,.05,;18.28,.21,;16.13,-1.36,)|
CC(=O)OCC1=C(N2C(SC1)C(NC(=O)c1ccc(F)cc1)C2=O)C(O)=O |t:5|
Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)c2cc(C)cc(C)c2)C3=O)C(O)=O)s1 |t:7|
Cc1nnc(SCC2=C(N3C(SC2)C(NC(=O)c2cccc(F)c2F)C3=O)C(O)=O)s1 |t:7|
COc1ccc(NC(=O)c2c[nH]n3c2nc(cc3=O)C2CCN(CC2)C(=O)OC(C)(C)C)cc1Cl
CC(C)(C)OC(=O)N1CCC(CC1)c1cc(=O)n2[nH]cc(C(=O)Nc3ccc(F)c(Cl)c3)c2n1
COc1cc(\C=C2\CC\C(=C\c3ccc(O)c(OC)c3)C2=O)ccc1O
CCCCCc1ccc(OCCOCCn2c[n+](C)c3ccccc23)c(CCCCC)c1
CC(N=Nc1nc(nc(n1)N1CCCCCC1)N1CCCCCC1)c1ccccc1 |w:3.3|
Fc1ccccc1NC(=S)NN=C1C(=O)N(Cc2cccc(Cl)c2)c2ccccc12 |w:11.11|
CN(C(=O)Cc1c(C(O)=O)n(C)c2ccccc12)c1ccc(F)cc1
CN1C(=O)C(=NNC(=S)Nc2ccccc2F)c2cc(ccc12)S(=O)(=O)N1CCOCC1 |w:5.5|
Cc1cc(NC(=S)N(Cc2ccc(Cl)cc2)Cc2ccc(cc2)C(O)=O)ccc1Cl
CC(CNC(=S)Nc1cc(F)cc(F)c1)CSc1ccc(Cl)cc1
Fc1ccccc1NC(=S)NN=C1C(=O)N(Cc2ccccc2)c2ccccc12 |w:11.11|
CCN(c1ccccc1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(CSC)o1
CCc1ccc(cc1)-c1cc([nH]n1)C(=O)NN=Cc1c[nH]c2ccccc12 |w:16.17|
NC(=NNC(=O)c1sccc1OCc1ccc(Cl)cc1Cl)c1ccccn1 |w:2.2|
FC(F)(F)c1cnc(NCCN2C(=O)C=CC2=O)c(Cl)c1 |c:14|
COc1ccc(Oc2nc(ncc2OC)-c2ccccn2)cc1
COc1ccccc1Sc1nc(ncc1OC)-c1ccccn1
COc1cnc(nc1Oc1ccccc1)-c1ccccn1
Fc1ccc(cc1)-c1csc(NNC(=O)c2ccccc2)n1
NNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
O=S(=O)(Cc1cc(NCc2ccccc2)nc(n1)-c1ccccn1)c1ccccc1
COc1ccc(cc1)-c1ncn(CCC#N)c1[N+]([O-])=O
COc1cnc(nc1Oc1c(C)cccc1C)-c1ccccn1
CC(C)Nc1cc(CSc2ccccc2)nc(n1)-c1ccccc1
CC(C)OC(=O)c1cccnc1N1CCN(CC1)c1cccc(Cl)c1
CN1c2ccsc2C(NNc2ccccc2)=CS1(=O)=O |c:17|
Nc1nc(nc(N)c1Cc1ccccc1F)-c1ccccn1
Cl\C(C(=O)Nc1ccccc1Cl)=C(\Cl)S(=O)c1ccccc1
CSc1ccccc1-c1nnc(S)o1
Cc1ccc(NN=C(C=O)C(=O)c2ccc(Cl)cc2)cc1 |w:6.5|
OC(=O)c1cccc2c(c([nH]c12)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1n[nH]cc1N=Nc1cc(C)cc(C)c1 |w:14.16|
CC(C)(C)NC(=O)C1CC2CCCCC2CN1
FC(F)(F)c1ccc(CON=CC2C(=O)CC3N(CCc4ccccc34)C2=O)cc1
Clc1ccc(CON=CC2C(=O)CC3N(CCc4ccccc34)C2=O)c(Cl)c1
Nc1ccc(cc1)-c1cn2cccnc2n1
Cc1cc2nc(CSc3ccccc3)cc(=O)n2[nH]1
CC(C)(C)c1nc(NC(=O)Nc2ccccc2)sc1Br
Cc1cccc(Cn2nc(-n3cccc3)c3c(C)cc(C)nc23)c1
Clc1ccc(cc1)-c1c[nH]n2c1nc1CCCc1c2=O
Oc1c(Br)cc(Br)cc1CNc1ccc(F)cc1
Cc1ccc(F)c(NC(=O)C(C#N)C(=O)c2ccc(cc2)C(C)(C)C)c1
COc1ccc(cc1)-c1cc([nH]n1)C1CCN(Cc2cccc(c2)C(F)(F)F)CC1
Oc1cccc(c1)-n1c(=O)c2ccc3c4c(ccc(c24)c1=O)c(=O)n(-c1cccc(O)c1)c3=O
O=C1N(Cc2ccccc2)\C(S\C1=C/c1cccnc1)=N\Cc1ccccc1
CCOC(=O)c1cccc(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(C(O)=O)c3=O)c1
COc1ccc(NC(=O)c2cc3cccc(OC)c3o\c2=N/c2ccc(cc2)C(O)=O)cc1OC
Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
OC(=O)COc1ccc(CN=Nc2nc(Nc3ccccc3)nc(n2)N2CCCCC2)cc1 |w:11.11|
Fc1ccc(NC(=O)c2nc3n(Cc4cccc5ccccc45)nnc3c(=O)[nH]2)cc1
CC\N=C1\S\C(=C/c2ccc(o2)-c2cccc(c2)C(O)=O)C(=O)N1CC
Fc1ccc(CN2C(=O)C(=NNC(=S)Nc3ccccc3F)c3ccccc23)cc1 |w:10.10|
COc1ccc2cc(C(=O)NCc3ccccc3)\c(=N\c3ccc(cc3)C(O)=O)oc2c1
C1CCN(CC1)c1ccc(Nc2nc3ccccc3n3cnnc23)cc1
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(C)CC1
CCCCCC(=O)Cc1cc(O)cc2Oc3c(OC(=O)c12)cc(O)c(C(O)=O)c3CCCCC
CCCCCCCCCCCC(=O)c1c(O)cccc1O
C[C@H]1COC2=C1C(=O)C(=O)c1c3CCCC(C)(C)c3ccc21 |c:4|
[O-][N+](=O)c1ccc(\C=N\NC(=O)Cc2ccc(cc2)[N+]([O-])=O)o1
O=Nc1c2ccccc2c2n[nH]c(cc12)-c1ccccc1
CN1c2ccsc2C(NNc2ccc(C)cc2)=CS1(=O)=O |c:18|
OC(=O)c1ccc(cc1)N=CCc1onc(c1C#N)-c1c(Cl)cccc1Cl |w:9.9,(6.1,8.44,;5.2,7.2,;3.66,7.36,;5.82,5.79,;7.35,5.63,;7.98,4.22,;7.08,2.98,;5.54,3.14,;4.92,4.55,;7.7,1.57,;6.8,.33,;7.42,-1.08,;6.52,-2.33,;4.98,-2.33,;4.5,-3.79,;5.75,-4.7,;6.99,-3.79,;8.46,-4.27,;9.92,-4.74,;5.75,-6.24,;4.41,-7.01,;3.08,-6.24,;4.41,-8.55,;5.75,-9.32,;7.08,-8.55,;7.08,-7.01,;8.41,-6.24,)|
Cc1cc(C)n(n1)C(=O)C(N=Nc1cc(Cl)cc(Cl)c1)C#N |w:11.12|
Fc1ccc2nc(NC(=O)c3ccccn3)sc2c1
COc1ccccc1N1CCN(CC1)C(=O)\C=C\c1c(Cl)nc2ccccn12
CC(=N)C(C#N)C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1
O=C(Nc1nc(cs1)-c1ccccn1)\C=C\c1ccco1
[H]C12CCC([H])(C1)C(CC(=O)Nc1nc(cs1)-c1ccccn1)C2 |TLB:8:7:6:3.2|
COC(=O)c1ccc(CSc2cc(C)c3cc(C)cc(C)c3n2)o1
O=C(Nc1nc(cs1)-c1ccccn1)c1ccco1
CCOC(=O)c1cc(nc2n(nc(C)c12)-c1ccccn1)-c1cccs1
Cc1nc(N2CCN(Cc3ccc4OCOc4c3)CC2)c2cc(sc2n1)-c1ccccc1
COc1cccc(OC)c1C(=O)Nc1cc(C)nn1-c1nc2ccccc2[nH]1
Cc1ccc(cc1)C(=O)\C=C\C(=O)c1ccc(C)cc1
FC(F)Sc1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1
CC(=NNC(=S)NCc1ccccc1)c1cccc(Br)c1 |w:2.2|
CC(C)(C)c1ccccc1OCCCCCn1ccnc1
CC1=CC(CC(C)(C)C1)=NNC(=S)NCCc1ccccc1 |w:9.10,t:1|
CC(N=Nc1nc2ccccc2[nH]1)c1ccc2OCOc2c1 |w:3.3|
Clc1ccc(-c2cs\c(=[NH+]/c3ccccc3)n2Cc2ccco2)c(Cl)c1
[#6]-[#8]-c1cccc(-[#7]-[#6](=S)-[#7]\[#7]=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-2)c1
Cc1cs\c(=[NH+]/c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
CCn1c(C)nc2cc(ccc12)C(=O)NNC(=S)NC(=O)c1ccc(OC)cc1
CC(C)C(C(=O)Nc1nccs1)c1ccc(Cl)cc1
COc1ccc(cc1OC)-c1csc(NC(=S)NC(=O)c2cccs2)n1
COc1cc(ccc1OCCC(C)C)C(=O)OCC(=O)c1c(N)n(C)c(=O)n(C)c1=O
[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)Nc1nc2ccccc2n1CCC |TLB:8:6:12:1.11.2,8:1:12:6.9.5,THB:2:3:9:1.11.8|
CCCn1c(NC(=O)c2ccccc2Br)nc2ccccc12
CC(=N)C(C#N)C(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1C
Cc1cccc2nc(COc3ccc4ccccc4c3Br)cn12
Cn1cccc1CC(=O)NNC(=S)NC(=O)c1ccccc1Br
CC(NS(=O)(=O)\C=C\c1ccccc1)C(O)=O
COc1ccc(O)c(c1)C(=O)c1coc(=N)c(c1)C(=O)Nc1ccc(SC(F)F)cc1
Cn1c(N)c(C(=O)COC(=O)C=Cc2ccc(OC(F)F)cc2)c(=O)n(C)c1=O |w:12.12|
CN1CCN(CC1)C(=O)C12CC3CC(C1)CC(C3)(C2)c1ccc(C)cc1 |w:11.11,13.13,TLB:17:16:10.11.12:14,THB:19:16:10:12.13.14,19:16:10.11.12:14,17:11:14:18.16.15,15:16:10:12.13.14,15:13:10:18.17.16,TEB:12:13:18:10.11.17|
Oc1c(cc(Cl)c2cccnc12)C(N1CCCCC1)c1ccccn1
OC(=O)c1ccc(NC(=O)\C=C\c2cn(nc2-c2ccccc2)-c2ccccc2)cc1
CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C1=NN(C(=O)CC1)c1cccc(C)c1 |t:23|
COc1ccc(cc1)-c1nn(cc1\C=C\C(=O)N1CCN(CC1)c1ccccn1)-c1ccccc1
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NCc1ccccc1)C(=O)OCc1ccccc1
O=c1[nH]c(CN2CCC(=CC2)c2ccccc2)nc2scc(-c3ccccc3)c12 |c:8|
CN(CC(=O)Nc1ccc(C)cc1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)NC1CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)N[C@H](C)c1ccccc1)C(=O)OC(C)(C)C
Oc1ccc(CN=Nc2ccc3ccccc3c2)c(O)c1 |w:7.7|
Cc1ccc(cc1C)-n1c(O)c(C=Nc2ccccc2-c2n[nH]c(=S)[nH]c2=O)c2ccccc2c1=O |w:13.14|
Cc1nc(NS(=O)(=O)c2ccc(Cl)s2)c2c3CCCCc3sc2n1
CN1CC(=O)N(CC(=O)Nc2cc(ccc2C)S(=O)(=O)N2CCCCC2)C1=O
C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(C)cc1)c1ccccc1
COc1ccccc1NS(=O)(=O)c1cc(NC(=S)NCC2CCCO2)ccc1C
[H]C12CC3([H])CC(O)(C1)CC(C2)(C3)C(=O)Nc1nc(cs1)-c1ccccn1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:1:9:3.12.5|
CC(C)Cn1c2nc(CC(C)(C)C)[nH]c(=S)c2c(=O)n(C)c1=O
O=c1n2CCCc2nc2sc(cc12)-c1ccccc1
Cc1nnc(SC(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)[nH]c1=O
Cc1ccc2ccc(C(Nc3cccc(c3)C(F)(F)F)c3cccnc3)c(O)c2n1
Fc1ccccc1NC1=NN=C(CS1)c1ccccc1 |c:11,t:9|
Cc1ccc2nc(N=C(NS(=O)(=O)c3ccc(F)cc3)c3ccccc3)sc2c1 |w:7.6|
Cc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:10,17|
CCOc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:12,19|
Cc1nn(c(Cl)c1\C=C1/SC(=S)N(CCCCCC(O)=O)C1=O)-c1ccccc1
CCOC(=O)c1sc2nc(Cc3ccc(Cl)cc3)[nH]c(=S)c2c1C
Oc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1cccs1
Cc1cc(C)nc(N=NCc2cc(Br)ccc2O)n1 |w:7.6|
Oc1cccc(C=NN(Cc2ccccc2)c2ccccc2)c1
Oc1ccc(C=NN(Cc2ccccc2)c2ccccc2)cc1 |w:6.6|
COc1ccc(cc1)C1=N\C(=C/c2c(C)[nH]c3ccccc23)C(=O)O1 |t:9|
CCc1ccc(NC2=NCC(S2)c2ccccc2)cc1 |t:7|
Oc1ccc(NC2=CC(=NS(=O)(=O)c3cccs3)c3ccccc3C2=O)cc1 |w:9.9,t:6|
COc1ccc(cc1OC)C(=O)NCC(=O)OCC(=O)N1N=C(CC1c1ccco1)c1ccc(Cl)cc1 |c:22|
COCCn1c(N)c(C(=O)NS(=O)(=O)c2ccc(C)cc2)c(=O)[nH]c1=O
CN(Cc1ccc(OC(F)F)cc1)Cc1nc2c(Br)cc(Br)cc2c(=O)[nH]1
Cc1sc2nc([nH]c(=O)c2c1-c1ccccc1)-c1ccccn1
O=c1[nH]c(nc2sc(cc12)-c1ccccc1)-c1ccccn1
COc1ccc(OCCCC(=O)Nc2nc(cs2)-c2ccccn2)cc1
Cc1ccc(C)c(c1)S(=O)(=O)N1CCN(Cc2ccc(O)c3ncccc23)CC1
Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NC(C)(C)C)c2n1
CC(C)C(NC(=O)c1cccc(C)c1)C(=O)Nc1nc(cs1)-c1ccccn1
Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CNC2CC2)cc1
COCCn1c(SCc2nc3sc(C(=O)OC)c(C)c3c(=O)[nH]2)nc2ccccc12
Nc1ccccc1Sc1nc2ccccc2[nH]1
COCCn1c(N)c(C(=O)Nc2sc3CCCCc3c2C(=O)OC)c2nc3ccccc3nc12
O=c1n(sc2ccccc12)-c1cc(ccc1N1CCOCC1)S(=O)(=O)N1CCOCC1
Clc1ccc(NC(=O)NC2=CC(=O)CCC2)cc1Cl |t:9|
S=c1[nH]c(cn1N=Cc1cccc2ccccc12)-c1ccccc1 |w:6.6|
COc1ccc(Cc2n[nH]c(=S)n2NC(=O)Nc2ccc(Cl)c(Cl)c2)cc1
CCOC(=O)C(C(=O)OCC)c1cc(Br)c2noc3-c4ccccc4C(=O)c1c23
CC1CC(=O)c2c(O1)cc1c(c(O)cc(O)c1c2O)-c1c(O)cc(O)c2c(O)c3C(=O)CC(C)Oc3cc12 |(9.64,-2.77,;8.31,-2,;8.3,-.45,;6.96,.33,;6.95,1.87,;5.62,-.45,;5.62,-2.01,;6.96,-2.78,;4.29,-2.78,;2.96,-2.01,;1.63,-2.79,;.29,-2.02,;-1.04,-2.79,;.29,-.47,;1.62,.3,;1.62,1.84,;2.96,-.47,;4.28,.31,;4.28,1.85,;1.63,-4.32,;2.96,-5.08,;4.29,-4.31,;2.97,-6.62,;1.64,-7.4,;1.64,-8.94,;.3,-6.63,;-1.02,-7.4,;-1.02,-8.94,;-2.35,-6.64,;-3.67,-7.42,;-3.66,-8.96,;-5.01,-6.65,;-5.01,-5.12,;-6.35,-4.35,;-3.68,-4.35,;-2.36,-5.1,;-1.03,-4.33,;.3,-5.1,)|
S=C1NC[C@H](CC2CCCCC2)N1CC1CCCCC1
COc1ccc(cc1)-c1cc2nc3ccccc3n2c(N)c1C#N
Brc1ccc(CC(=O)Nc2nc3ccccc3[nH]2)cc1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])cc2-[#8]-[#6](-[#6]-[#6](=O)-c2c1-[#8])-c1ccc(-[#8])cc1
CC(C)=CCCC1(C)Oc2c(C)cc3c([nH]c4cc(O)ccc34)c2C=C1 |c:27,(17.77,-5.27,;16.62,-4.24,;15.16,-4.72,;16.94,-2.73,;15.79,-1.71,;16.1,-.2,;14.96,.83,;16.42,1.31,;14.45,2.35,;12.87,2.66,;12.4,4.12,;13.43,5.27,;10.89,4.44,;9.86,3.3,;10.34,1.83,;9.1,.94,;7.86,1.84,;6.3,1.48,;5.23,2.66,;3.72,2.33,;5.72,4.17,;7.28,4.49,;8.33,3.29,;11.84,1.51,;12.32,-.02,;13.88,-.37,)|
O=c1[nH]c(CN2CCC(=CC2)c2ccccc2)nc2scc(-c3cccs3)c12 |c:8|
Cc1ccc(o1)C(=O)Nc1nc(cs1)-c1ccccn1
COc1ccc(C=Nn2c(C)nc3c4ccccc4[nH]c3c2=O)cc1CN1CCCC(C)(C)C1
COc1ccc(Oc2c[nH]nc2-c2ccc(OCC(C)=C)cc2O)cc1
COc1ccc2[nH]c3c(nc(C)n(N=Cc4ccc(OC)c(CN5CCCC5)c4)c3=O)c2c1
CC(C)Cc1csc(NC(=O)c2ccc(Br)cc2)c1C(O)=O
COc1ccc(cc1)C(=O)CSc1[nH]c(=O)cc(c1C#N)C(F)(F)F
CC(C=C1SC(=S)N(NS(=O)(=O)c2ccccc2)C1=O)=Cc1ccccc1 |w:2.1,20.22|
COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OCc2ccccc2)cc1O
CCOC(=O)C1CCN(CC1)C1=C(NS(=O)(=O)c2ccc(Cl)cc2)C(=O)c2ccccc2C1=O |c:12|
COc1ccccc1CN1CN(c2nc3ccccc3nc12)S(=O)(=O)c1ccccc1
Cc1nn2c(SCC(=O)c3ccc(O)c(O)c3)cc(C)nc2c1-c1ccccc1
Cc1ccc(cc1)N=Nc1ccc(O)c(c1)P(=O)(c1ccccc1)c1ccccc1 |w:8.9|
CCCCOC(=O)c1ccc(NC(=S)N2CCN(CC2)c2ncc3c(n2)n(CC)cc(C(O)=O)c3=O)cc1
COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(F)cc2)cc1O
CC(=O)N(C1CCCCC1)C1=C(Cl)C(=O)c2ccccc2C1=O |c:11|
CCOC(=O)C1=C(N)c2ccccc2CC1C1CCCC1 |c:5|
O=C(CSc1nc(-c2ccccc2)c(C#N)c(=O)[nH]1)N1c2ccccc2Sc2ccccc12
Cc1[nH]c2ccccc2c1C(C#N)(C#N)C1C(=O)c2ccccc2C1=O
CC(C)CN(CC(C)C)Cc1cc(=O)oc2cc(c(O)cc12)-c1ccccc1
COC(=O)C1(C(C[N+]([O-])=O)c2ccc(C)cc2)C(CNC1=O)c1ccco1
CCOP(=O)(Cc1ccc(o1)C(=O)CC)OCC
CC(=O)Nc1ccc(cc1)C1C(=O)c2ccccc2C1=O
COc1cc(c[c-](\C=[NH+]\NC(=O)c2cc(nc3ccccc23)-c2ccccc2)c1=O)[N+]([O-])=O
Clc1ccc(cc1)-[n+]1c([nH]c2nc3ccccc3nc12)-c1cccc(Br)c1
COc1ccc(cc1)C(=O)c1coc-2c1C(=O)C(=O)c1ccccc-21
[O-][N+](=O)c1cccc(NN=C(C(=O)c2ccc(Br)cc2)C(=O)C(F)(F)F)c1 |w:9.8|
CCCCCCCCOC(=O)c1c(CSC(N)=N)n(C)c2cc(Br)c(OC(C)=O)cc12
CC(C)c1ccc2[nH]c3c(CCCC3=NNC(=O)c3ccncc3)c2c1 |w:14.15|
Oc1cc(OCc2ccccc2)ccc1-c1n[nH]cc1-c1ccccc1
CN(C)S(=O)(=O)c1ccc(cc1)-c1csc(N=NCc2ccc(O)cc2)n1 |w:16.16|
O=C(NCc1ccccc1)C(=O)Nc1nc(cs1)-c1ccccc1
CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccc(O)cc2)C1=O
COCCCn1c(N)c(C(=O)Nc2ccccc2)c2nc3ccccc3nc12
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)Nc3cccc(c3)S(N)(=O)=O)c2c1
O=C(CNc1cccc2ccccc12)NN=Cc1ccc[nH]1 |w:15.16|
CCCCCCCCCCCCn1ccc(=N)cc1
Cc1cc(NC(=O)CN2C(=O)c3ccccc3C2=O)no1
COc1cccc(c1)N=NCc1cccc(Br)c1O |w:8.8|
Cc1ccc2c(c1)nc(Nc1nc(C)cc(n1)-c1ccccc1)[nH]c2=O
CC(N=Nc1nc(nc2ccccc12)-c1ccccc1F)c1ccccc1O |w:3.3|
CC(Nc1nc(nc2ccccc12)-c1ccccc1O)c1ccccc1
Cc1ccc2=NC(=O)C(NNC(=O)c3ccc(NS(=O)(=O)c4cccs4)cc3)=c2c1 |c:29,t:4|
Cc1cc(C)n(n1)-c1nc(SCC(O)=O)c2c3CC(C)(C)OCc3sc2n1
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)-c1cs\c(=[NH+]/c2ccccc2)n1Cc1ccc(cc1)C(O)=O
CC(C)c1ccc(Nc2[nH]nc(C)c2[N+]([O-])=O)cc1
CC1CC(C)(C)N2C(=O)\C(=N/NC(N)=S)c3cccc1c23
Cc1cc(C)n(n1)-c1nc(SCC(O)=O)c2c3CCCCc3sc2n1
NC(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:4.4|
CC1=CC(C)(C)N2C(=O)\C(=N/N)c3c2c1cc(C)c3C |t:1|
Cc1nc2ccccc2c(=O)n1N=Cc1ccc2ccccc2c1O |w:12.13|
O=c1[nH]c(CSc2ncnc3sccc23)nc2ccccc12
CC(C)(C)c1cc[n+](cc1)C1=C([N-]S(=O)(=O)c2cccs2)C(=O)c2ccccc2C1=O |c:11|
CCCCC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
CC(C)CC[n+]1ccn(c1)C1=C([N-]S(=O)(=O)c2ccc(Br)cc2)C(=O)c2ccccc2C1=O |c:11|
Nc1nc(Nc2ccc(Cl)cc2)nc(NCc2ccco2)c1[N+]([O-])=O
CC1(C)C2(C)CCC1([C@H](Br)C2=O)C(=O)Nc1cccc(Cl)c1Cl |TLB:11:10:1:6.5,THB:9:8:1:6.5|
COc1ccc(O)c(c1)C(=O)c1cc(SCC(O)=O)c2nc3sc4CCCCc4c3c(=O)n2c1
COc1ccc(cc1)C(=O)Nc1cccc(\C=C(/CCC(O)=O)c2nc3ccccc3s2)c1
CCOc1cc(CN=Nc2cc(C)nc(n2)-n2nc(C)cc2C)ccc1O |w:8.8|
CCCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(O)cc2O)cc1
CCCCCCc1cc2cc(C(=O)OCC)c(=O)oc2cc1O
Cc1ccc2nc(N=C(N)NC(=O)NC3CCCCC3)nc(C)c2c1 |w:7.6|
Cc1nn2c(NCc3ccccn3)cc(nc2c1-c1ccccc1)C(C)(C)C
CCC(CC)c1nn2c(N)c(\C=C3/C(C)=Nc4ccccc34)c(=O)nc2s1 |c:14|
COCCCN1C(=S)S\C(=C\c2nc(C#N)c(Nc3ccc(C)cc3)o2)C1=O
CCCCCC(=O)NC(=S)NC1C2CC3CC(C2)CC1C3 |TLB:10:11:13:16.17.15,THB:10:11:14.13.20:16.17.18,18:19:13:16.17.15,18:16:13:19.11.20,15:16:11:14.13.20|
C\C(\C=C1/SC(=S)N(NS(=O)(=O)c2ccc(C)cc2)C1=O)=C/c1ccccc1
CCC(C)Nc1nc(N)c(c(Nc2cc(OC)ccc2OC)n1)[N+]([O-])=O
CCC(=O)Nc1nc2ccccc2n1Cc1ccccc1Cl
CC(C)Nc1cc(nc2c(cnn12)-c1ccccc1)C(C)(C)C
Nc1nc(Nc2cccc(Cl)c2)nc(NCc2ccco2)c1[N+]([O-])=O
CCCc1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
CC(C)c1cc(NCc2ccccn2)n2nc(C)c(-c3ccccc3)c2n1
CN(C)CCCNc1cc(nc2c(cnn12)-c1ccc(Cl)cc1)C(C)(C)C
Cc1ccccc1Oc1nc(nc2ccccc12)-c1ccccn1
O(c1ccccc1)c1nc(nc2ccccc12)-c1ccccn1
Fc1cc(F)c(C2SCCN2C(=S)Nc2cccc(c2)C(F)(F)F)c(F)c1
Cc1cccc(Oc2nc(nc3ccccc23)-c2ccncc2)c1
COc1ccc(Oc2nc(nc3ccccc23)-c2ccccn2)cc1
CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccccc3)c2n1
CC(C)CN(CC(C)C)Cc1cc(=O)oc2cc3CCCCc3cc12
CCC(Nc1ccc(cc1)N(C)C)=C1C(=O)NC(=O)N(CC=C)C1=O |w:2.2|
CC(C)c1ccc(cc1)C(=O)NC(=S)Nc1ccc2[nH]c(=O)[nH]c2c1
[H]C12CC3([H])CC(C1)(CC([H])(C2)CC3)C(=O)NN\C=C1/C=C(C=C(Br)C1=O)[N+]([O-])=O |c:23,t:25,TLB:12:9:7:3.5.2,THB:2:1:8:3.5.12.13,2:3:8:1.7.11,13:3:7:9.8.11|
COc1ccc(Cn2c(nc3n(C)c4ccccc4c(=O)c3c2=O)C2CCCCC2)cc1
Cc1ccc(O)c(c1)C1CC(N=N1)c1ccc(Cl)cc1 |c:12|
CC(C)(C)c1cc(NCc2ccccn2)n2ncc(-c3ccc(Cl)cc3)c2n1
Nc1ccc(\N=N\c2ccccc2)c2ccccc12
Cc1[nH]c(N=Nc2ccccc2)nc1N=Nc1ccccc1 |w:5.5,14.15|
c1ccc(cc1)-c1nc(oc1-c1ccccc1)-c1nccc2ccccc12
CCCCCCCCCCCCC(NC(C)=O)(C(=O)OCC)C(=O)OCC
CC(C)c1cc(c(C)cc1O)C1(OC(=O)c2ccccc12)c1cc(C(C)C)c(O)cc1C
c1ccc(cc1)-n1c2ccccc2c2ccccc12
C(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1
OC(COc1cccc2ccccc12)CN1CCN(CC1)c1ccc(Cl)cc1
ClC1=C(Nc2ccc3cn[nH]c3c2)C(=O)c2ccccc2C1=O |c:1|
CC1CC2C3C=C(C)C4=Cc5c(C[C@]4(C)C3C(O)C[C@]2(C)[C@@]1(O)C(C)=O)cnn5-c1ccccc1 |t:5,8|
OC(COc1cccc2ccccc12)CN1CCN(CC1)c1cccc(Cl)c1
CCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)Br)O)Br
C[C@]12CCC3C(CCC4CC(O)CC[C@]34C)C1CCC2c1cc(n[nH]1)C(F)(F)F
CSc1cccc(NC(=O)OC2CCCCCCCCCCC2)c1
Cn1ccc(cc1)=Nc1ccc(NC(=O)c2ccc([N-]c3cc[n+](C)c4ccc(cc34)[N+]([O-])=O)cc2)cc1 |(4.41,-10.01,;4.41,-8.47,;5.75,-7.7,;5.75,-6.16,;4.41,-5.39,;3.08,-6.16,;3.08,-7.7,;4.41,-3.85,;5.75,-3.08,;5.75,-1.54,;7.08,-.77,;8.41,-1.54,;9.75,-.77,;9.75,.77,;8.41,1.54,;11.08,1.54,;11.08,3.08,;12.42,3.85,;13.75,3.08,;15.08,3.85,;15.08,5.39,;13.75,6.16,;13.75,7.7,;15.08,8.47,;15.08,10.01,;16.42,7.7,;17.79,8.52,;19.19,7.73,;19.19,6.13,;17.79,5.34,;16.42,6.16,;20.52,5.35,;21.86,6.12,;20.51,3.81,;13.75,1.54,;12.42,.77,;8.41,-3.08,;7.08,-3.85,)|
FC(F)(F)c1cccc(c1)-c1nc2nc(Cl)c(Cl)nc2[nH]1
Clc1ccc(C=Cc2nc(Cl)c(c(Cl)n2)-c2ccc(Cl)cc2)cc1
CN1C(=S)S\C(=C/c2cc(C)n(c2C)-c2ccccc2O)C1=O |(7.68,6.81,;7.36,5.31,;5.96,4.68,;4.62,5.45,;6.12,3.15,;7.62,2.83,;8.25,1.42,;7.34,.18,;5.8,.18,;5.33,-1.29,;3.86,-1.76,;6.57,-2.19,;7.82,-1.29,;9.28,-1.76,;6.57,-3.73,;7.91,-4.5,;7.91,-6.04,;6.57,-6.81,;5.24,-6.04,;5.24,-4.5,;3.91,-3.73,;8.39,4.16,;9.92,4.32,)|
CC(C)c1ccc(C)c(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)c1
Oc1ccccc1-c1nc2c([nH]1)c1ccccc1c1ccccc21
OCC[N+](=O)[CH-]c1ccc(o1)[N+]([O-])=O
Oc1c(Cl)cc(Cl)cc1C=Nc1cc(ccc1N1CCc2ccccc2C1)C(F)(F)F |w:10.11|
Clc1c(sc2ccccc12)C(=O)N1\C(SC(=C)C11CCCCC1)=N\c1ccccc1Cl
COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)c2cc(OC)c(OC)c(OC)c2)cc1OC
CCCc1nc2oc3c(Cl)ncnc3c2c2CCCCc12
CC(C)C(=O)NC(N)=Nc1nc(C)c2cc(C)c(C)cc2n1 |w:8.8|
Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1Cc1ccccc1
Cc1ccc(Oc2nc(nc3ccccc23)-c2ccccn2)cc1
CCCCCCC(=O)NNC=C1C(=O)NC(=S)N(CCCC)C1=O |w:10.9|
Clc1ccc(cc1)-c1csc2nc[nH]c(=S)c12
CCCCCCC(=O)NNC=C1C(=O)NC(=S)N(C(C)CC)C1=O |w:10.9|
CCN(CC)CCNC(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1NCCO
COc1ccc2[nH]c3c(C)c4ccncc4c(C)c3c2c1
CCc1c(O)nc(SCC(=O)Nc2nc3ccccc3s2)n(C2CCCCC2)c1=O
COc1ccc(\C=C\C(=O)NC(=S)N2CCN(CC2)c2ccccc2OC)cc1
Nc1nc(N)c(\C=N\c2ccc(Br)cc2)c(Nc2ccc(Br)cc2)n1
CC(N=Nc1nc2ccc(Cl)cc2o1)c1ccccc1 |w:3.3|
COc1ccc(cc1)-n1c(SCC(=O)Nc2ccccc2)nc(O)cc1=O
CCCCCCCCCCCCOC(=O)C[N+](C)(C)C
Nc1ccc(cc1)-c1nc2nc(N)nc(N)c2nc1-c1ccc(N)cc1
NC(N)=c1ccc(=C\C=C2/C=CC(=CC2=O)C(N)=N)cc1 |c:10,12,(5.33,15.58,;4,14.81,;2.67,15.58,;4,13.27,;5.33,12.5,;5.33,10.96,;4,10.19,;4,8.65,;2.67,7.88,;2.67,6.34,;4,5.57,;4,4.03,;2.67,3.26,;1.33,4.03,;1.33,5.57,;,6.34,;2.67,1.72,;4,.95,;1.33,.95,;2.67,10.96,;2.67,12.5,)|
Clc1ccc2nc(NP(=O)(c3ccccc3)c3ccccc3)sc2c1
OC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(cc1)-c1nc2cc(Cl)ccc2o1
COc1cc(ccc1NC(=O)NC1CC1)-c1ccc(NC(=O)NC2CC2)c(OC)c1
Cc1ccc2nc(sc2c1)-c1ccc(N)cc1
CSc1nc(SCC(O)=O)c2sc3nc(c4CCCc4c3c2n1)-c1ccccc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)C(=O)CC(=O)c1ccc(C)cc1 |TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
CCCCCCn1c2ccccc2c(O)c(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c1=O
CCn1c(SCC(=O)Nc2oc(c(c2C#N)-c2ccccc2)-c2ccccc2)nnc1-c1ccco1
CC(N=Nc1cc(C)nc(n1)-c1ccccc1O)c1ccccc1O |w:3.3|
CCc1c(C)c(C#N)c2[nH]c3ccccc3n2c1=S
OC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Br)o2)c1
NC(=S)C(=NNc1ccc(cc1)S(=O)(=O)N1CCOCC1)C#N |w:4.4|
FC(F)(F)c1cc(CCN2[C@@H](CC3CCCCC3)CNC2=S)cc(c1)C(F)(F)F
[O-][N+](=O)c1cc(Cl)c[c-](\C=[NH+]\NC(=O)c2ccccc2NS(=O)(=O)c2cccs2)c1=O
[O-][N+](=O)c1ccc(\C=N\NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)o1
COCCCn1c(=O)c(=Cc2ccccc2OC(C)C)s\c1=C(\C#N)C(=O)Nc1ccc(cc1)C(O)=O
O=C(N1CCCCC1)c1ccc2c3OCc4ccccc4-n3nc2c1
O=C(Nc1nc(cs1)-c1ccccn1)c1cccc(c1)-n1cnnn1
OC(=O)c1ccccc1N=NCc1cc(Br)cc(Br)c1O |w:9.9|
FC(F)(F)c1cc(nc2nc(SCC(=O)Nc3cc(Cl)ccc3C#N)[nH]c(=O)c12)-c1cccs1
Oc1ccc(NC=C2C(=O)N(Cc3ccccc3)C(=O)c3ccccc23)cc1 |w:6.5|
CC(N=Nc1ccc(cc1)C(O)=O)c1ccc2Sc3ccccc3Nc2c1 |w:2.1|
OC(=O)c1cccc(c1)-c1ccc(\C=C2\C(=O)N=C3SC=C(N3C2=N)c2ccccc2)o1 |c:21,t:18|
CC(=O)Nc1sc(NC(=O)c2ccc(cc2)[N+]([O-])=O)nc1-c1cccs1
Brc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)s1 |w:6.6|
CCOc1ccc2[nH]c3c(ncnc3c2c1)N1CCc2ccccc2C1
Clc1ccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)cc1 |w:6.6|
Clc1cccc(C=Nn2c(n[nH]c2=S)-c2cc([nH]n2)-c2ccccc2)c1 |w:7.7|
COc1cc(C=C2SC(Nc3cccnc3)=NC2=O)cc(OC)c1OC |w:5.4,c:16|
CC(C)(C)c1cc([nH]n1)C(=O)NN=Cc1ccc(s1)[N+]([O-])=O |w:12.12|
COc1cccc(c1)-n1c(O)c2[nH][nH]c(C(=O)CN3C(=O)c4ccccc4C3=O)c2c1=O
CC(C=CC=Cc1ccccc1)=NNC(=O)c1ccc2OCCOc2c1 |w:12.13,5.5,2.1|
COc1ccc(OC)c(NC=C2C(=O)NC(=S)N(Cc3ccccc3)C2=O)c1 |w:10.9|
COCCn1c(nc2oc3cc(OC)ccc3c(=O)c2c1=O)-c1cc(OC)c(OC)c(OC)c1
OC(=O)c1ccccc1NC(=O)CN1C(=O)S\C(=C/C=C/c2ccccc2)C1=O
Oc1ccccc1N=Cc1c(O)ccc2oc3CCCCc3c12 |w:7.7|
CC(=NNC(=O)CSc1[nH]c(C)nc1[N+]([O-])=O)c1ccc(F)cc1 |w:2.2|
Fc1ccc(NC2=NC(=O)C(S2)=Cc2c[nH]c3ccccc23)cc1 |w:12.13,t:6|
COc1ccc(OC)c(C=Nn2c(n[nH]c2=S)-c2n[nH]c3CCCc23)c1 |w:10.10|
NC(=O)NN=C(CCCCCCC(=NNC(N)=O)c1ccccc1)c1ccccc1 |w:4.3,13.13|
COc1ccc(cc1OC)C1c2ccc(O)cc2Oc2ncn3nc(nc3c12)-c1ccncc1
Cc1cccc2[nH]c3c(ncnc3c12)N1CCC(=CC1)c1ccc(F)cc1 |c:20|
Nc1nc(NC(=O)\C=C\c2ccc(F)cc2)nn1-c1ccccc1
COc1c[c-](C[NH+]=Nc2nc3ccccc3s2)cc([N+]([O-])=O)c1=O |w:7.7|
CCOc1ccc(NC(=S)NNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
O=C1N=c2ccccc2=C1NNC(=S)N1CCOCC1 |c:9,t:2|
CCC(C)c1ccc(cc1)C1C2=C(Nc3[nH]c(N)nc(=O)c13)c1ccccc1C2=O |c:12|
O=C1N=C(Nc2ccccc2)SC1=Cc1c[nH]c2ccccc12 |w:13.15,t:2|
CC(C)(C)c1ccc2OCC(Oc2c1)C(=O)N\N=C\c1ccc(o1)[N+]([O-])=O
Cc1cc(C=C2SC(S)=NC2=O)c(C)n1-c1cccc(O)c1 |w:4.3,c:8|
Oc1c(C(=O)C=Cc2c[nH]c3ccccc23)c(=O)[nH]c(=O)n1CCc1ccccc1 |w:6.6|
Cc1ccc2nc(sc2c1)-n1c(O)c[nH]c1=S
CSc1n[nH]c2nc3-c4ccccc4CC4(CCCCC4)c3c(=O)n12
COc1ccc(NC(=S)NNC2=c3ccccc3=NC2=O)cc1 |c:11,18|
Cc1[nH]c2ccccc2c1CN=Nc1nc2ccccc2[nH]1 |w:11.12|
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)c1ccccc1)C(=O)OCc1ccccc1
Fc1ccc(Br)cc1C1CC(=Nc2ncnn12)c1ccc(Br)s1 |c:11|
[H][C@]12CN(Cc3cccnc3)[C@H](c3ccccc3)C11CC(C1)(C2c1ccc(cc1)C(F)(F)F)c1cccnc1 |wU:1.0,11.12,(8.28,.05,;9.34,-.72,;8.11,-1.62,;8.58,-3.08,;7.68,-4.32,;6.14,-4.16,;5.24,-5.41,;3.71,-5.25,;3.08,-3.84,;3.99,-2.59,;5.52,-2.75,;10.11,-3.08,;11.01,-4.32,;10.39,-5.73,;11.29,-6.98,;12.82,-6.82,;13.45,-5.41,;12.55,-4.17,;10.59,-1.62,;10.54,-.3,;11.36,.75,;11.83,-.72,;9.82,.75,;8.91,1.99,;9.54,3.4,;8.63,4.65,;7.1,4.49,;6.48,3.08,;7.38,1.83,;6.2,5.73,;5.29,6.98,;4.95,4.83,;7.44,6.64,;11.83,2.21,;13.34,2.53,;13.82,4,;12.79,5.14,;11.28,4.82,;10.8,3.36,)|
O=C(NCCc1ccccc1)\C=C\c1ccccc1
[H]C12CCC(C)(C(C1)OC(=O)\C=C\c1ccc(O)c(OC)c1)C2(C)C |TLB:8:6:22:3.2|
Cc1ccc2OC3(CCC(CC3)C(C)(C)C)CC(=O)c2c1
Cc1coc-2c1C(=O)C(=O)c1c-2ccc2c(C)cccc12
COc1ccc(cc1)[C@H]1Oc2cc(O)cc(O)c2C(=O)C1[C@H]1[C@H](Oc2cc(O)cc(O)c2C1=O)c1ccc(OC)cc1
FC(F)(F)c1cccc(Nc2nc(cs2)-c2cccc(NC(=O)c3ccccc3)c2)c1
FC(F)(F)c1cccc(c1)C(=O)Nc1ccc(cc1)-c1csc(Nc2ccccc2)n1
Clc1ccc(Nc2nc(cs2)-c2cccc(NC(=O)c3ccccc3)c2)cc1
[O-][N+](=O)c1cc(cc(c1)C(F)(F)F)C(=O)Nc1ccc(cc1)-c1csc(Nc2ccc(Cl)cc2)n1
COc1cc(cc(OC)c1OC)C(=O)NNC(=S)NC(=O)c1ccc(F)cc1
[O-][N+](=O)c1ccc(cc1)\[NH+]=N\[C-](C#N)C#N
OC(=O)c1cc(ccc1Cl)-c1ccc(C=NNC(=O)c2cc3c(ccc4ccccc34)o2)o1 |w:15.16|
NS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C2/SC(=S)N(C3CCS(=O)(=O)C3)C2=O)o1
Oc1nc(N=NCc2ccccc2O)sc1Cc1ccc(F)cc1 |w:4.3|
NNC(=O)c1ccc(OCC2CC(=NO2)c2ccc(Cl)cc2)cc1 |c:12|
COc1ccc2nc(sc2c1)-n1c(O)c[nH]c1=S
COc1ccc(cc1)-c1nc2cc(ccc2n1CCCn1c(nc2cc(ccc12)C(O)=O)-c1ccc(N)cc1)C(F)(F)F
Brc1ccc(Nc2ncnc3n[nH]cc23)cc1
Cc1ccc(cc1)-c1nc2[nH]c(=O)cc(NC(=O)c3cccs3)n2n1
Cc1ccc(NC(=S)NNC(=S)Nc2cccc(c2)C(F)(F)F)cc1
CC(C)(C)c1cc(C(=O)NNc2cc(ccc2Cl)C(F)(F)F)n(Cc2ccccc2)n1
Cc1ccc(NNC(=O)c2cc(nn2Cc2ccccc2)C(C)(C)C)cc1
Fc1ccc(cc1)N1CCN(Cc2c[nH]nc2-c2ccccc2)CC1
Nc1nc(Sc2ccc(Cl)cc2)c(C#N)c(-c2ccccc2Cl)c1C#N |(4.41,-.77,;5.75,,;7.08,-.77,;8.41,,;9.75,-.77,;9.75,-2.31,;8.41,-3.08,;8.41,-4.62,;9.75,-5.39,;9.75,-6.93,;11.08,-4.62,;11.08,-3.08,;8.41,1.54,;9.75,2.31,;11.08,3.08,;7.08,2.31,;7.08,3.85,;5.75,4.62,;5.75,6.16,;7.08,6.93,;8.41,6.16,;8.41,4.62,;9.75,3.85,;5.75,1.54,;4.41,2.31,;3.08,3.08,)|
Cc1ccc(NNC(=O)C2CCC2)cc1C
CC(C)S(=O)(=O)c1csc(NC(=O)Nc2ccc(Cl)cc2)c1Cl
[O-][N+](=O)c1cc(cc(c1NCCNC(=S)Nc1ccc(Cl)c(Cl)c1)[N+]([O-])=O)C(F)(F)F
Cc1noc(C)c1-c1nnc(o1)-c1ccc(OC(F)(F)F)cc1
FC(F)(F)c1cccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)c1
COC(=O)c1cnc(Oc2ccc(NC(=O)NC(=O)c3c(F)cccc3Cl)cc2)cc1C(F)(F)F
COc1ccc(cc1)C(=O)N1CCc2c([nH]c3ccccc23)C1C(F)(F)F
COc1ccc(cc1)C1N(CCc2sccc12)C(=O)C(C)(C)C
[H]C12CC(NC(=S)NN=Cc3ccc(OCC)cc3)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
COCCCNC(=S)NNC(=S)Nc1cccc(Cl)c1
CN(N=Cc1ccc(Cl)cc1Cl)c1ncc(Cl)cc1C(F)(F)F
COc1ccc(cc1COc1cc(C)c(Cl)c(C)c1)C(C)=O
[H]C12CC(NC(=S)NN=Cc3ccc(OCC)cc3)C([H])(C1)C1C=CCC21 |c:25,TLB:23:22:21:3.2,THB:4:3:26.22:21,25:26:21:3.2|
Clc1cc(Cl)cc(NC(=S)NCc2cccs2)c1
Nc1cc(nn1-c1ccc(Cl)c(Cl)c1)-c1ccc(OC(F)(F)F)cc1
Cc1oc(cc1C(=O)N1CCN(CC1)C(c1ccccc1)c1ccccc1)C(C)(C)C
CC(C)S(=O)(=O)c1csc(NC(=O)Nc2cc(Cl)ccc2Cl)c1Cl
Clc1ccccc1Sc1ccc(s1)-c1ccccn1
Fc1ccc(cc1)C(=O)NNC1=Nc2ccccc2SC1 |t:12|
[O-][N+](=O)c1cc(NC(=O)Nc2cccc(Cl)c2)cs1
Nc1sc(cc1C(=O)NN=Cc1ccc(Cl)cc1)-c1ccccc1
CC(=NNC(=S)NCC(C)(C)C)c1cc(F)cc(F)c1O |w:2.2|
Cc1cccc(Cn2nc(cc2C(=O)Nc2ccc(F)cc2)C(C)(C)C)c1
Cc1csc(NC(=O)COCC(O)=O)c1-c1nc2ccccc2s1
CC(C)(C)c1ccc(cc1)-c1noc(n1)-c1ccc2OCCc2c1
COc1ccc(cc1)C(=O)CSc1nc(nc(C)c1Cl)-c1ccccn1
FC(F)(F)c1ccc(cc1)C(=O)Nc1ccc(Br)c(c1)C(F)(F)F
CC1(C)c2ccccc2-n2c1cc1oc(O)cc(=O)c1c2=O
Cc1nc(cs1)-c1ccc(s1)S(=O)(=O)Nc1ccc(Br)cc1Cl
NC(=S)C(=NNc1ccc(Cl)cc1)C#N |w:4.4|
CC(C)(C)c1cc(C(=O)Nc2ccc(F)cc2)n(Cc2ccc(F)cc2)n1
FC(F)(F)c1ccc(cc1)-c1noc(CNC(=O)Nc2cc(Cl)cc(Cl)c2)n1
CC(C)(C)c1ccc(s1)C(=O)Nc1ccc(F)cc1
FC(F)(F)c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2n1
Cc1csc2c(ncnc12)N1CCN(CC1)C(=O)Nc1ccc(Cl)c(Cl)c1
FC(F)(F)Oc1ccc(NC(=O)N2CCN(CC2)c2ccnc3cc(Cl)ccc23)cc1
COC(=O)c1sc(cc1NC(=O)CSCC(O)=O)-c1ccc(cc1)C(C)(C)C
S=c1[nH]nc(-c2cccs2)n1N=Cc1cn(nc1-c1ccccc1)-c1ccccc1 |w:11.12|
Cc1cc(C)c2c(n1)sc1c2ncn(CC(=O)c2ccccc2)c1=O
Nc1[nH]nc(C2CC2)c1N=Nc1ccc(Cl)c(Cl)c1 |w:9.10|
CN(C)\C=C1/SC(=S)N(C1=O)c1ccc(Br)cc1
CC(C)c1ccc(cc1)N1C(=S)S\C(=C/N(C)C)C1=O
Clc1ccc(NC(=O)NNC(=O)CN2c3ccccc3Sc3ccccc23)cc1Cl
Cc1ccc(Sc2cc(C)nc(n2)-c2ccccn2)cc1
FC(F)(F)Oc1ccc(NC(=S)Nc2ccc(OC(F)(F)F)cc2)cc1
NC(=S)C(=NNc1ccc(OC(F)(F)F)cc1)C#N |w:4.4|
CCCCCCCCCCCCN1C(SCC1=O)c1cccnc1
CCC(C)Sc1cc(c(cn1)C(=O)Nc1ccc(Cl)cc1)C(F)(F)F
Cc1ccc(cc1)C1=NN(CCO)\C(SC1)=N\c1ccc(OC(F)(F)F)cc1 |t:8|
CCCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1
Clc1ccc(cc1Cl)S(=O)(=O)Nc1ccc(cc1)-n1cccc1
[H]C12CC(NC(=S)NN=Cc3cc(Cl)cc(Cl)c3O)C([H])(C1)C=C2 |w:8.7,c:24,THB:4:3:21:22.23|
[H]C12CCC([H])(C1)C(C2)NC(=S)NN=Cc1ccccc1O |w:13.14,TLB:9:7:6:3.2|
[H]C12CC(NC(=S)NN=Cc3ccccc3O)C([H])(C1)C=C2 |w:8.7,c:22,THB:4:3:19:20.21|
Fc1ccc(NC(=O)Nc2csc3ccccc23)cc1Cl
Cc1ccc(cc1)-c1nn(cc1C=Nn1c(n[nH]c1=S)-c1cccs1)-c1ccccc1 |w:13.15|
C(SC1=NNC(S1)c1ccccn1)c1ccccc1 |t:2|
COc1ccc(cc1)-c1c([nH]n2c1nc(cc2=O)-c1ccccc1)C(F)(F)F
Clc1cccc(NC(=O)NNC(=O)CN2c3ccccc3Sc3ccccc23)c1
CC(C)n1cnc2c(NCc3ccccc3)nc(NCc3ccccc3)nc12
CCN1CCN(Cc2ccc(NC(=O)c3cc(NC(=O)c4cc(n[nH]4)-c4ccc(OC)cc4)cc(OC)c3)cc2C(F)(F)F)CC1
COc1ccc(cc1)C(CC(=O)N1CCCC(C)C1)c1c(OC)cc(OC)c2c(cc(=O)oc12)-c1ccccc1
CC[C@@H]1CC=C[C@H]2[C@H]1C(=O)N(Cc1ccccc1)[C@H]2c1ccc(OC)c(Cl)c1 |c:4|
C[C@@]12CCC=C[C@H]1[C@@H](N(Cc1ccccc1)C2=O)c1ccc2ccccc2c1Br |c:4|
COc1ccc(Br)cc1[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:12|
Cc1ccc(cc1)-c1cc(ccc1F)[C@H]1[C@@H]2C=CCC[C@@]2(C)C(=O)N1Cc1ccccc1 |c:18|
COc1ccc(cc1)C1CC(O)(Oc2c(C)ccc(C)c12)c1ccccc1
COc1ccc(cc1)C1\C=C/CN(CC(=O)N1Cc1ccc(F)cc1)C(=O)c1ccccc1 |c:10|
COc1ccccc1-c1cc(=O)c2c(O)ccc([N+]([O-])=O)c2o1
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N1CCc2ccccc2C1)C(=O)OCc1ccccc1
CC(C)C[C@H](NC(=O)c1[nH]cnc1C(=O)N[C@@H](C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1
O=C(Nc1cccc(c1)-c1nc2ccccc2[nH]1)c1ccc(cc1)C(=O)Nc1cccc(c1)-c1nc2ccccc2[nH]1
CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)cc1
Cc1cccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1
CCOC(=O)c1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
Cc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1
CC(C)C[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1cccc(C)c1)C(=O)OCc1ccccc1
Cc1cccc(NC(=O)c2nc[nH]c2C(=O)N[C@@H](Cc2ccccc2)C(=O)OC(C)(C)C)c1
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)Nc1ccc(Cl)cc1
CC(C)(C)OC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1C(=O)Nc1cccc(Cl)c1
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)c1nc[nH]c1C(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
COc1ccc(NC(=O)c2[nH]cnc2C(=O)N[C@@H](CC(C)C)C(=O)OC(C)(C)C)cc1
COC(=O)[C@H]1[C@H](CCc2ccccc2)NC(=O)N(Cc2ccccc2)[C@@H]1C
CCCN(CC1CC1)c1nc(C)nc(Nc2c(Cl)cc(Cl)cc2Cl)c1Cl
C1CCC(CC1)c1nc(nc2ccccc12)-c1ccccc1
COc1ccc2nc(nc(C3CCCCC3)c2c1)C1CCCCC1
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(c2oc3c(-[#8])c(-[#8])ccc3c(=O)c2c1-[#8])C([#6])([#6])[#6]=[#6]
O[C@@H]1CCCN2CCc3c([nH]c4ccccc34)[C@H]12
CC1Oc2cc3oc4c(O)c(O)ccc4c(=O)c3c(O)c2C1(C)C
CC1Oc2cc3oc4c(O)c5OC(C)(C)C=Cc5cc4c(=O)c3c(O)c2C1(C)C |c:15|
CC1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)C1C)-c1c(O)cc(O)c2c(O)c3C(=O)C(C)C(C)Oc3cc12 |(7.61,-9.78,;6.28,-9.01,;4.93,-9.81,;3.6,-9.04,;2.27,-9.81,;.93,-9.04,;-.41,-9.83,;-1.74,-9.06,;-3.07,-9.81,;-1.74,-7.52,;-.41,-6.73,;-.41,-5.21,;.93,-7.5,;2.25,-6.73,;2.25,-5.19,;3.59,-7.5,;4.92,-6.7,;4.91,-5.16,;6.26,-7.47,;7.59,-6.68,;-.4,-11.35,;-1.74,-12.12,;-3.07,-11.37,;-1.73,-13.66,;-.39,-14.43,;-.39,-15.97,;.94,-13.65,;2.27,-14.4,;2.27,-15.94,;3.58,-13.63,;4.91,-14.4,;4.91,-15.94,;6.24,-13.61,;7.58,-14.38,;6.23,-12.07,;7.54,-11.3,;4.88,-11.32,;3.58,-12.09,;2.25,-11.35,;.93,-12.12,)|
[#6]\[#6](-[#6])=[#6]\[#6]-c1cc(-[#6@@H]-2-[#6]-[#8]-c3c(-[#6]-2)ccc2-[#8]C([#6])([#6])[#6]=[#6]-c32)c(-[#8])cc1-[#8] |c:22|
[#6]\[#6](-[#6])=[#6]\[#6]-[#8]-c1ccc(-[#6@@H]-2-[#6]-[#8]-c3c(-[#6]-2)ccc2-[#8]C([#6])([#6])[#6]=[#6]-c32)c(-[#8])c1 |c:24|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2c3-[#6]=[#6]C([#6])([#6])[#8]-c3cc(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:10|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c2-[#8]C([#6])([#6])[#6]=[#6]-c2c(-[#8])c2c1oc1-c3cc(-[#8])c(-[#8])cc3-[#8]-[#6](\[#6]=[#6](\[#6])-[#6])-c1c2=O |c:11|
[#6]\[#6](-[#6])=[#6]\[#6]-c1c(oc2cc3-[#8]C([#6])([#6])[#6]=[#6]-c3c(-[#8])c2c1=O)-c1ccc(-[#8])cc1-[#8] |c:15|
C[C@H]([C@H]1[C@@H](O1)C[C@H]2CO[C@H]([C@@H]([C@@H]2O)O)C/C(=C/C(=O)OCCCCCCCCC(=O)O)/C)[C@H](C)O
CC1(C2CCC(O1)(CC2)C)C
Cc1cccc(OCC(=O)Nc2ccncc2)c1
OC(=O)c1c(NC(=O)c2ccccc2F)scc1-c1ccc(Br)cc1
COc1ccc(cc1)-c1csc(NC(=O)c2ccc(cc2)C(C)(C)C)c1C(O)=O
O=C1C=C(N2CCCCC2)c2ccccc2C1=O |t:2|
COc1cc(OC)c([C@H]2C=C(C)[C@H]3C[C@@H]2C3(C)C)c(OC)c1 |t:9,TLB:7:8:15:13,THB:11:10:15:13|
CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OCC(O)=O)c(OC)c3)c(=O)n2C1c1ccc(Cl)cc1 |c:5,t:8|
COc1cc(C)c(C(=O)CC(=O)c2c(C)cc(OC)cc2C)c(C)c1
Brc1cc(nc(n1)-c1ccccc1)-c1ccccc1
CN1CCN(CC1)C1Cc2ccc(Cl)cc2Sc2ccc(F)cc12
COc1ccc(CC2=CC(=O)c3ccccc3C2=O)cc1 |t:7|
Clc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Cc1c(oc2c(Cl)cc(C)cc12)C(=O)N1CCC(O)(CC1)c1ccccc1
COc1ccc(cc1Cl)N(CC(=O)NCCSCc1cccc(Cl)c1)S(C)(=O)=O
Cc1n[nH]c(C)c1CCCCOc1ccc(C)cc1
CCOC(=O)C1=C(C)N=c2s\c(=C/c3ccc(O)c(c3)[N+]([O-])=O)c(=O)n2C1c1ccccc1OC |c:5,t:8|
CC(C)NC(=S)NC(c1ccccc1)(c1ccccc1)c1ccccc1
Oc1ccc(Oc2ccc(Oc3ccc(O)cc3)cc2)cc1
CN(N)c1nc(cc(n1)-c1ccc(C)cc1)-c1ccccc1
Cc1ccccc1C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
Cc1cccc(c1)C(=O)Nc1scc(c1C(O)=O)-c1ccc(Br)cc1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)c1ccc(o1)[N+]([O-])=O |TLB:8:6:12:1.11.2,5:3:11:6.9.8,THB:5:6:11:3.12.2|
Cc1ccc(Cn2c(nc3ccccc23)C(CO)Nc2nc(cs2)-c2ccc(F)cc2)cc1
OC(C(=O)N\[NH+]=C\[c-]1cc(ccc1=O)[N+]([O-])=O)(c1ccccc1)c1ccccc1
COc1ccc(cc1)-n1c(C=Cc2ccc(O)c(OC)c2)nc2ccccc2c1=O |w:10.10|
COc1ccc(cc1)N=Nc1cc(ccc1O)-c1ccccc1 |w:8.8|
CC(C)c1ccc(C=Nn2c(n[nH]c2=S)-c2ccccc2)cc1 |w:8.8|
Oc1c(Br)cc(Br)cc1CNc1cccc2cccnc12
OC(C(=O)N\[NH+]=C\[c-]1cc(Cl)cc([N+]([O-])=O)c1=O)(c1ccccc1)c1ccccc1
COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1O
CC\C(=C\c1sc2ccc3ccccc3c2[n+]1C)\C=C1/Sc2ccc3ccccc3c2N1C
CC(C)c1cc(C)ccc1OCCn1c2ccccc2[nH]c1=S
CCOc1ccc(CN=Nc2cc(nc(C)n2)N2CCOCC2)c(O)c1 |w:9.9|
COc1cccc(c1)C(=O)Oc1ccc(CN=Nc2ccc(cc2)C(O)=O)cc1OC |w:17.18|
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)c1ccc(C=NNC(N)=S)cc1 |w:18.21,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
COc1ccc(Nc2nc(NN)nc(Nc3ccc(OC)cc3)n2)cc1
Oc1cccc(Nc2cc(Cl)c3nonc3c2[N+]([O-])=O)c1
Cc1c(Cl)cccc1-c1ccc(CNCc2ccccn2)o1
CCCOc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
COc1ccccc1-c1cc(nc(SCC(O)=O)c1C#N)-c1ccccc1
CC(N=Nc1cc(nc(C)n1)N1CCCCC1)c1ccc(Br)cc1 |w:3.3|
CCN(CC)c1nc(Nc2ccc(cc2)[N+]([O-])=O)nc(n1)N(CC)CC
CCC1=NN(C(=O)c2ccccc2O)C(O)(C1)c1ccccc1 |t:2|
Clc1cccc(Cl)c1C1Nc2cccc3cccc(N1)c23
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2OC)[n+](C)c2ccccc12
Cc1nc(N=NCc2ccc3OCOc3c2)sc1C |w:4.3|
COc1cccc(CN=Nc2cc(ncn2)N2CCOCC2)c1O |w:9.9|
CCCCn1c2ccccc2c(O)c(C(=O)NCCc2ccccc2)c1=O
CC1(C)CC(=O)C(C2C3=C(CC(C)(C)CC3=O)Oc3c(Br)cc(Br)cc23)C(=O)C1 |t:8|
CCCc1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1
CC(C)(C)c1ccc(O)c(c1)N=Cc1c(O)ccc2ccccc12 |w:11.11|
CCCCCCCCCCOC(=O)Cn1c(COc2ccc(C)cc2)[n+](C)c2ccccc12
COc1cccc(NC(=O)Nc2nc(SC(C)(C)C)ns2)c1
CCSc1nsc(NC(=O)Nc2cccc(F)c2)n1
CCCCn1c2ccccc2c(O)c(C(=O)NCc2ccccc2Cl)c1=O
Cc1ccc(cc1)C(=O)NC(=S)NNC(=O)c1cccc(c1)[N+]([O-])=O
CC[n+]1c(\C=C\N(C)c2ccccc2)n(-c2ccccc2)c2ccc(cc12)-c1nc2ccccc2s1
CC(=NNC(=O)c1ccc(C)cc1)c1c(C)[nH]n(-c2ccccc2)c1=O |w:2.2|
CCCC(=O)NC(c1ccc(Cl)cc1)c1ccc2cccnc2c1O
Cn1c(NC(=O)c2ccccc2)nc2ccccc12
CCOC(=O)C1C(c2ccc(O)cc2)c2c(OC1=N)ccc1ccccc21
Oc1ccc(Cl)cc1CNc1nc2ccccc2n1CC=C
Oc1ccc(Cl)cc1CNc1cccc2cccnc12
CC1CCc2c(C1)sc1nc(nc(N3CCN(CC3)C(=O)CCl)c21)C(C)(C)C
CCCSc1nsc(NC(=O)Nc2ccc(F)cc2F)n1
CCc1ccc(NC2=NC(=O)C(S2)=Cc2cc(OC)c(O)c(OC)c2)cc1 |w:13.14,t:7|
CCOC(=O)c1ccc(Nc2nc(C)nc3n(Cc4ccccc4)nnc23)cc1
CCCC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
CCN(CC)c1nc(nc2n(Cc3ccccc3)nnc12)C(F)(F)F
Fc1ccc(NC(=O)Nc2nc(SCC=C)ns2)cc1
Oc1c(C(=O)NCc2ccccc2)c(=O)n(CC=C)c2ccccc12
Cc1ccc(cc1)C(=O)Nc1nc2ccccc2n1CC=C
[O-][N+](=O)c1ccccc1C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1
COc1ccccc1NC1=NC(=O)C(S1)=Cc1ccc(cc1)N(C)C |w:15.17,t:10|
CCOc1ccc(cc1)N(C)c1ccc(C=C2SC(S)=NC2=O)cc1 |w:15.15,c:20|
CCCOc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1[N+]([O-])=O
[O-][N+](=O)c1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
OC(=O)CN1C(=S)S\C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O
FC(F)(F)c1ccc(CNC(=O)c2ccc3C(=O)c4ccccc4S(=O)(=O)c3c2)cc1
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCC1CCCCC1
COc1ccc(cc1)-c1nn(cc1\C=C1\SC(=S)N(CCC(O)=O)C1=O)-c1ccccc1
Clc1cccc(C=Nn2c(n[nH]c2=S)C2CCCCC2)c1Cl |w:7.7|
CO[C@@H]1[C@@H](O)[C@@H](O)[C@H](Oc2ccc(-c3ccc(cc3)-c3ccccc3)c(c2)C(=O)NCCc2ccccc2)OC1(C)C
COc1cccc(c1)-c1coc2cc3oc(=O)c(CCC(O)=O)c(C)c3cc12
CCCCCCCCCCCCN1[C@@H](CC(O)=O)c2cc(ccc2S1(=O)=O)C(F)(F)F
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCc1ccccc1
Cc1ccc(O)c(C=NNC(=O)Cc2ccc(Cl)cc2)c1 |w:8.8|
CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1C(O)=O
Brc1ccccc1C1Nc2cccc3cccc(N1)c23
COc1cc(Cc2cc(N)nc(N)n2)cc(OC)c1OC
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)NN=Cc1ccccc1O |w:17.19,TLB:8:1:12:6.9.5,8:6:12:1.11.2,THB:5:6:11:3.12.2|
CCc1ccc(C=Nn2c(n[nH]c2=S)C2CCCCC2)cc1 |w:7.7|
Clc1cccc(Cl)c1C=Nn1c(n[nH]c1=S)C1CCCCC1 |w:9.10|
C(CNC(c1ccccc1)c1ccccc1)NC(c1ccccc1)c1ccccc1
CC(=C)COc1ccc(c(O)c1)-c1nc(N)ncc1-c1ccc(Cl)cc1
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H](COc3ccc4ccc(=O)oc4c3)C(=C)CCC12
NNc1nc(-c2ccccc2)c2cc(Br)ccc2n1
CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCC(=O)NN)cc2O)cc1
CC(C)(C)Nc1nc(nc2ccccc12)-c1ccccn1
C(Nc1nc(nc2ccccc12)-c1ccccn1)c1ccccc1
CCCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
COc1cccc(c1)-c1coc2c(C)c3oc(=O)c(CCC(O)=O)c(C)c3cc12
CCCCCCCCCC[N+](C)(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12
C1CCC(CC1)c1nc(nc2ccsc12)-c1ccccc1
CC(C)CCC(CCNCc1ccccn1)c1ccc(Cl)cc1
CN(C)CCCNc1nc(N)c(c(n1)N1CCCCCC1)[N+]([O-])=O
Nc1nc(Nc2ccccc2)nc(NC2CCCCC2)c1[N+]([O-])=O
[H]C12NC(=O)C([H])(NC(=O)C3NC(=O)C(CC(N)=O)NC(=O)C(NC(=O)C(CC(C)C)NC)C(O)c4ccc(Oc5cc3cc(Oc3ccc(cc3Cl)C1O)c5OC1OC(CO)C(O)C(O)C1OC1CC(C)(N)C(O)C(C)O1)c(Cl)c4)c1ccc(O)c(c1)-c1c(O)cc(O)cc1C(NC2=O)C(O)=O
COc1cccc(c1O)-c1nc(NC2CCCC2)c2ccccc2n1
COc1ccc(cc1)-c1oc2ccc(cc2c1C#CC1(O)CCCCC1)N1CCOCC1
Cc1c(CCC(O)=O)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12
OC1(CCCCC1)C#Cc1c(oc2ccc(cc12)N1CCOCC1)-c1ccsc1
COc1ccc(cc1)-c1oc2ccc(cc2c1C#CCO)-c1ccc(OC)cc1
O=c1c2ccccc2oc2cc(ccc12)-c1ccc2[nH]ccc2c1
Clc1ccc(SCc2cc(=O)[nH]c(n2)-c2ccccn2)cc1
COc1ccc(\C=C\c2ccc3cccc(O)c3n2)cc1Br
COc1ccc(Br)cc1\C=C\c1ccc2cccc(O)c2n1
Cc1ccc(C(=O)CC(=O)c2ccccc2C)c(O)c1
COc1ccc(OC)c(\C=C\c2ccc3cccc(O)c3n2)c1
COc1cc(\C=C\c2ccc3cccc(O)c3n2)cc(OC)c1OC
Cc1[nH]c(cc1C(=O)N1CCN(CC1)c1cccc(Cl)c1)-c1ccc(F)cc1
Cc1ccc(cc1)-c1nn(cc1CN=O)-c1ccccc1
OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O
CCCC(O)(C(CN1CCOCC1)c1ccc(Cl)cc1)c1ccc(Br)cc1
[H][C@]12C[C@@]3([H])[C@]4([H])CC=C5C[C@@H](O)[C@H](O)C[C@]5(C)C4CC[C@]3(C)[C@@]1([H])[C@H](C)[C@@]1(CC[C@@H](C)CO1)O2 |t:8|
Cc1ccccc1-c1nc2c3ccccc3[nH]c(=S)n2n1
ON1C(=O)c2cccc3c(ccc(C1=O)c23)[N+]([O-])=O
CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNNC(N)=S)C1=O |w:16.18|
On1c2ccccc2[n+]([O-])c2ccc(=O)cc12
[O-][N+](=O)c1cccc(c1)C(=O)NNC(=S)NC(=O)c1ccc(Br)cc1
Oc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1ccccc1
COc1ccc(CC(=O)N\[NH+]=C\[c-]2cc(cc(Br)c2=O)[N+]([O-])=O)cc1
O=C1NC(=O)\C(S1)=C/c1ccc(OCc2ccccc2)cc1
FC(F)(F)c1cccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)c1
CSCc1cc(nc(n1)-c1ccccn1)N(C)c1ccccc1
OCC1CCN(CC1)c1ccccc1CNc1ccc(cc1[N+]([O-])=O)C#N
CC(C)(C)c1ccc(cc1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl
FC(F)(F)c1cc(Nc2ccccc2)nc(n1)-c1ccccn1
COc1cnc(nc1Oc1ccc(cc1)C(C)(C)C)-c1ccccn1
COc1ccc(cc1)-c1c[nH]nc1-c1ccc(OC)cc1
COc1ccc(cc1)-c1coc2c(C)c3oc(=O)c(CCC(O)=O)c(C)c3cc12
Cc1cc2oc(=O)cc(CNc3ccccc3F)c2cc1O
OC[C@H]1O[C@@H]2[C@@H](Oc3nc(=N)ccn23)[C@@H]1O
O=C1c2[nH]c(=O)[nH]c2C(=O)c2ccccc12
Cc1cccc(Nc2nc(cs2)-c2ccc(F)c(C)c2)n1
COc1ccccc1Oc1c[nH]nc1-c1ccc(OCC(=O)NN)cc1O
CCC1(C)Cc2c(CO1)sc1nc(SC)[nH]c(=S)c21
FC(F)(F)c1ccccc1C=Nn1c(n[nH]c1=S)C1CCCCC1 |w:11.12|
CCc1ccc(CNc2ccc3n(cnc3c2)C(C)(C)C)cc1
CCCCNC(=O)c1cn(CC(C)C)c(=O)c2n(C)c3ccccc3c12
Cc1c([nH]c2ccc(C)cc12)C(=O)NN=Cc1ccccc1O |w:14.15|
CC(C)(C)c1ccc(cc1)C(=O)NN=Cc1ccccn1
CC\C(=C\c1ccccc1)c1cccc2[nH]c3c(OC)cccc3c12
COc1cc(\C(C)=C\c2ccccc2)c2c(c1)oc1ccccc21
OC(=O)c1cc(nc2ccccc12)-c1ccc(cc1)-c1c(noc1-c1ccsc1)-c1ccc2OCOc2c1
c1coc(c1)-c1noc(c1-c1ccc2[nH]ccc2c1)-c1ccccc1
COC(=O)c1ccc2[nH]c3cccc(\C(=C\c4ccccc4)c4ccccc4)c3c2c1
Cc1oc2cc(Br)c(O)c(Br)c2c1-c1ccccc1
COc1cc(\C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1O
CCOC(=O)c1c(O)cc(C)cc1Nc1ccccc1
COc1ccc(-c2cc([nH]n2)-c2ccc(Cl)cc2)c(O)c1
[O-][N+](=O)c1ccc(\C=C\C=N\NC(=O)c2cccs2)o1
CN(C)c1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
CCc1ccc(\C=C\c2c([N+]([O-])=O)c(=O)n(C)c(=O)n2C)cc1
Cc1ccc(C)c(CN2CCCN(Cc3cc(C)ccc3C)S2(=O)=O)c1
[O-][N+](=O)c1cc([N+]([O-])=O)c2c(c1)sn(Cc1ccccc1)c2=O
OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2cccc(Cl)c2)C1=O)c1ccccc1
Oc1cccc(Nc2nc(nc3ccccc23)-c2ccc(cc2)[N+]([O-])=O)c1
OC(=O)C(N1C(=S)S\C(=C\c2ccc(o2)-c2ccc(Br)cc2)C1=O)c1ccccc1
Cc1ccccc1CN1CCCN(Cc2ccc(Cl)cc2)S1(=O)=O
COc1ccc(C=NNC(=O)c2cc(O)c(O)c(O)c2)cc1COc1ccc(cc1)C(=O)OCC(C)C
CN(N=Cc1cc(Br)cc(Br)c1O)c1cccc(n1)C(F)(F)F |w:2.1|
CCCOc1ccc(cc1C)C(=O)C1C(N(C(=O)C1=O)c1ccccn1)c1ccc(OC)cc1
[O-][N+](=O)\C=C\c1ccc2n(Cc3ccccc3)ccc2c1
CC(=NNC(=O)c1cc2ccccc2cc1O)c1cccs1 |w:2.2|
Clc1ccc(CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
CC1C(NC(C(C)C1=O)c1cc(Cl)ccc1O)c1cc(Cl)ccc1O
Cc1cc(C)c2c(nn(-c3ccccc3)c2n1)C(C)(C)C
COc1cc(cc(OC)c1OC)C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1
Oc1ccccc1C1CCCCC1c1ccccc1
CN(C)c1ccc(CN=Nc2nc3ccccc3o2)cc1 |w:9.9|
CCn1nc(C)cc1-c1nnc(Sc2ncc(s2)[N+]([O-])=O)n1C
CCOC(=O)c1csc(NN=C2CCCc3ccccc23)n1 |w:10.9|
Cc1cc(C)c(C(=O)CC(=O)c2ccccc2Cl)c(O)c1
COc1ccc2cc(ccc2c1)C(=O)\C=C\c1cc(OC)c(O)c(OC)c1
FC(F)(F)c1cccc(NC(=S)N2CCCC2)c1
CN(Cc1ccccc1Cl)Cc1cc(=O)oc2cc(C)c(C)cc12
Cc1nc(N2CCN(CC2)c2ccccc2O)c2c(csc2n1)-c1ccccc1
COC(=O)c1cc(nc2nc(SC)[nH]c(=O)c12)-c1ccc(OC)cc1F
Cc1cc(C)c2=NC(=O)C(NNc3ccc(cc3)C(O)=O)=c2c1 |c:21,t:5|
CC(=NNC(=S)NCCc1ccccc1)c1ccc(Cl)cc1Cl |w:2.2|
Oc1ccc(cc1)C(=O)OCc1ccc(COC(=O)c2ccc(O)cc2)cc1
FC(F)(F)c1cccc(CNC2c3ccccc3-c3ccccc23)c1
CN(C)CCCNC(=S)NCC(c1c[nH]c2ccccc12)c1ccc(Cl)cc1Cl
CCCCCCCCCCOC(=O)Cn1c(COc2ccccc2)[n+](C)c2ccccc12
CN(Cc1ccc(cc1)N(C)C)C(=O)c1cc2ccccc2o1
Cn1c(-c2ccccc2)c2cc(N)ccc2c2ccc(=[NH2+])cc12
CC(NS(=O)(=O)OCC(Cl)(Cl)Cl)c1ccc(cc1)C(C)(C)C
ClC(Cl)(Cl)COS(=O)(=O)N[C@@H]1C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)C2CCCCC12
Brc1ccc2C(C(=O)Nc2c1)c1[nH]c2ccccc2c1N=O
CC1(C)OC([C@H](O1)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1
CC(C)(C)N(Cc1ccccc1)C(=O)COc1cccnc1[N+]([O-])=O
ClC(Cl)(Cl)COS(=O)(=O)N[C@H]1C[C@H](NS(=O)(=O)OCC(Cl)(Cl)Cl)c2ccccc12
CN1CCN(CC1)C(c1ccc(C)cc1)c1cc(Cl)c2cccnc2c1O
CN1CCN(CC1)C(c1ccc(cc1)C(F)(F)F)c1cc(Cl)c2cccnc2c1O
CCCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccncc1
CCc1sc(cc1C)C(=O)Nc1nccs1
Oc1ccc(Br)cc1C=NNC(=S)NCCc1ccccc1 |w:9.10|
Cc1ccc(OP(=O)(Nc2cccc(C)c2)Oc2ccc(C)cc2)cc1
OC(=O)CSCC(=O)N(Cc1ccccc1)c1nc(c(s1)-c1ccccc1)-c1ccccc1
Cc1ccc(cc1)-c1csc(NC(=O)c2ccc(o2)[N+]([O-])=O)n1
CC(C)Oc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
OC(=O)CC\C(=C/c1cc2OCOc2cc1Br)c1nc2ccccc2s1
Cc1cc(cc(C)c1COC(=O)c1cccnc1)C(C)(C)C
COc1ccc(C)cc1NC(=O)CNC(c1ccccc1)c1ccccc1
CCOc1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S
Cc1ccc(CN2C(Nc3ccccc3C2=O)c2cc(Br)ccc2O)cc1
Cc1ccnc(NC(=S)N2CCN(CC2)c2cccc(c2)C(F)(F)F)c1
CSc1nnc2ccc(nn12)-c1ccc(C)cc1
Fc1ccc(cc1)-n1cc(-c2ccccc2)c2c1nc[nH]c2=S
Oc1ccccc1C=NNC(=O)CSc1ccc2ccccc2n1 |w:8.9|
NC(=O)c1cc(c[nH]1)C(=O)Cc1ccccc1
Oc1ccccc1C=NNC(=O)CCC(=O)Nc1ccc(Br)cc1 |w:8.9|
COC(=O)c1cc(-c2cccc(OC)c2)c2c(n1)n(C)c(=O)[nH]c2=O
CN(C1=NC(=O)\C(S1)=C1/C(=O)Nc2ccc(C)cc12)c1ccc(O)cc1 |t:2|
[#6]-[#8]-c1ccc2-c3ccc(-[#8]-[#6])cc3\[#6](=[#7]\[#7]-c3ccc(cc3)-[#6](-[#8])=O)-c2c1
COc1ccc(-c2cc(n[nH]2)-c2ccc(C)cc2)c(O)c1
Oc1cc2oc3cc(=O)c(O)cc3c(-c3ccccc3[N+]([O-])=O)c2cc1O |(14.78,-3.39,;13.45,-2.62,;12.05,-3.41,;10.68,-2.58,;9.34,-3.35,;8.01,-2.58,;6.63,-3.41,;5.24,-2.62,;3.91,-3.39,;5.24,-1.01,;3.91,-.24,;6.63,-.22,;8.01,-1.04,;9.34,-.27,;9.34,1.27,;10.68,2.04,;10.68,3.58,;9.34,4.35,;8.01,3.58,;8.01,2.04,;6.68,2.81,;6.68,4.35,;5.34,2.04,;10.68,-1.04,;12.05,-.22,;13.45,-1.01,;14.78,-.24,)|
COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1nc2ccccc2[nH]1
COc1ccc(NC(=O)c2cccc(c2)-c2ccc(O)cc2)cn1
CCc1cc2c(COC(=O)c3cccc(NS(C)(=O)=O)c3)cc(=O)oc2cc1O
Cn1ncc2c(Nc3ccc(Cl)c(Cl)c3)ncnc12
ClCC(=O)C(C#N)c1nc-2c(CCc3ccccc-23)s1
[O-][N+](=O)c1ccc(NCc2ccc(Cl)cc2)c2ccncc12
CSc1ccc(\C=C2/CCn3c2nc2cc(ccc2c3=O)C(O)=O)cc1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1 |r|
C[C@@H]1O[C@H](C[C@H](N)[C@@H]1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O
Cc1ccccc1S(=O)(=O)NC(=O)c2ccc(c(c2)OC)Cc3cn(c4c3cc(cc4)NC(=O)OC5CCCC5)C
CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCC(=O)Nc1ccc(O)cc1
CC(C)c1ccc2c(c1)c(c(n2Cc3ccc(cc3)Cl)CC(C)(C)C(=O)O)SC(C)(C)C
CSc1[nH]c2cc(c(cc2n1)Cl)Oc3cccc(c3Cl)Cl
CN(C)CCOc1ccc(cc1)/C(=C(/CCCl)\c2ccccc2)/c3ccccc3
CC(C)\N=c1\cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1
CC(C)(C)[C@H]1CCN(CC[C@H](Sc2ccccc2)c2ccccc2)C(=O)CC1
CC(C)(C)[C@@H]1CCN([C@H](CSc2ccccc2)Cc2ccccc2)C(=O)CC1
CCCn1c(nc2cc(Cl)c(Cl)cc12)C1CCCN1c1nc(cs1)-c1cccc(Br)c1
CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Br)ccc2O)CC1 |w:20.21|
Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCC3(CC2)OCCO3)cc1
CN1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(C)cc3)C(=O)Nc2c1
CCOc1ccc(cc1)N(CC(=O)NCc1ccc(C)cc1)S(=O)(=O)c1c(C)[nH]c(=O)[nH]c1=O
FC(F)(F)Oc1ccc(NC(=O)C2CCCN(C2)S(=O)(=O)c2c[nH]cn2)cc1
Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CC2CCCO2)c3=O)cc1C
COc1ccc(c(OC)c1)-n1c(=S)[nH]c2cc(ccc2c1=O)C(=O)Nc1ccc(C)c(F)c1 |(3.08,3.11,;4.41,3.88,;5.75,3.11,;5.75,1.57,;7.08,.8,;8.41,1.57,;8.41,3.11,;9.75,3.88,;9.75,5.42,;7.08,3.88,;9.75,.8,;9.75,-.74,;8.41,-1.51,;11.08,-1.51,;12.42,-.74,;13.79,-1.57,;15.19,-.78,;15.19,.83,;13.79,1.62,;12.42,.8,;11.08,1.57,;11.08,3.11,;16.52,-1.55,;16.51,-3.09,;17.86,-.79,;19.19,-1.56,;20.52,-.8,;21.85,-1.57,;21.85,-3.11,;23.18,-3.89,;20.51,-3.88,;20.5,-5.42,;19.18,-3.1,)|
[O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2ccccc2Cl)c1
Oc1ccc(Br)cc1C=NNC(=O)CNC(=O)c1ccc2OCOc2c1 |w:9.10|
Cc1c(nnn1-c1nonc1N)C(=O)NN=Cc1c(O)ccc2ccccc12 |w:15.16|
Cc1cccc(C=NNC(=O)c2ccccc2OCc2cccc(Br)c2)n1
CCc1ccc(Nc2n[n+](c(s2)-c2c(Cl)cccc2Cl)-c2ccccc2)cc1 |(10.62,16.06,;9.72,14.82,;10.35,13.41,;11.88,13.25,;12.5,11.84,;11.6,10.6,;12.22,9.19,;11.32,7.94,;9.78,7.94,;9.3,6.48,;10.55,5.57,;11.79,6.48,;10.55,4.03,;9.22,3.26,;7.68,3.26,;9.22,1.72,;10.55,.95,;11.88,1.72,;11.88,3.26,;13.22,4.03,;7.8,6.8,;6.77,5.66,;5.26,5.98,;4.78,7.44,;5.81,8.59,;7.32,8.27,;10.07,10.76,;9.44,12.17,)|
Cc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2cccc(c2)C(O)=O)C(=O)c2ccccc12 |w:10.10,t:13|
Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Cl)ccc2O)c1CN1CCCCCC1 |w:13.13|
Fc1ccc(cc1)-[n+]1nc(Nc2ccccc2)sc1-c1c2ccccc2cc2ccccc12 |(,7.81,;1.51,7.49,;2.54,8.64,;4.04,8.32,;4.52,6.85,;3.49,5.71,;1.98,6.03,;6.03,6.53,;6.5,8,;8.04,8,;8.95,9.24,;8.32,10.65,;9.23,11.9,;8.6,13.3,;7.07,13.46,;6.16,12.22,;6.79,10.81,;8.52,6.53,;7.27,5.63,;7.27,4.09,;8.6,3.32,;9.98,4.14,;11.38,3.35,;11.38,1.75,;9.98,.95,;8.6,1.78,;7.27,1.01,;5.94,1.78,;4.56,.95,;3.17,1.75,;3.17,3.35,;4.56,4.14,;5.94,3.32,)|
CCn1c2cc(NC(=O)c3cc(Br)ccc3OC)c(cc2n(CC)c1=O)N1CCCC1
COc1ccc(\C=C2/Sc3ccc(cc3N(C)C2=O)C(=O)N2CCCC2)cc1OC
CC1CCN(CC1)C(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)N(C)c2c1
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccc(cc2c1=O)N1CCOCC1
CN1C(=O)\C(Sc2ccc(cc12)C(=O)NC1CCN(Cc2ccccc2)CC1)=C/c1ccccc1F
CCOC(=O)C1CCN(CC1)C(=O)c1ccc2c(c1)nc1sc(Nc3cc(C)ccc3C)nn1c2=O
[O-][N+](=O)c1nonc1NC(=O)CSc1ccccn1
CCOC(=O)CC(NC(=O)CCS(=O)(=O)c1ccc2n(C)c(=O)c(=O)n(C)c2c1)c1ccc(C)cc1
CC1CCN(CC1)C(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
CC1CCCCC1NC(=O)CCn1ccc2cc(ccc12)S(=O)(=O)N1CCCC1
COc1ccc(cc1)C(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(cc1)[N+]([O-])=O
Oc1ccc(Cl)cc1NC(=O)CSc1nc(Nc2ccccc2)nc(n1)N1CCOCC1
O=C(Nc1cccc(NC(=O)c2cccnc2)c1)c1ccccc1
CS(=O)(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1
CCN(CC(=O)NCC1CCCO1)S(=O)(=O)c1ccc(Cl)cc1
Cn1c2ccc(NS(=O)(=O)c3ccccc3[N+]([O-])=O)cc2n(C)c1=O
CCc1ccc(cc1)N(CC(=O)NC1CC1)S(=O)(=O)c1ccc(C)cc1
[H][C@]12COc3ccccc3[C@@]1([H])N1C(=O)N(C(=O)[C@]1(C)[C@@H]2C(=O)OCC)c1ccc(cc1)C(F)(F)F
COc1ccc(O)c(CN2CCC(CC2)n2nccc2NC(=O)CCOc2ccccc2)c1
Cc1cc(C)cc(c1)C(=O)N1CCC(CCC(=O)NC2CC2)CC1
Clc1ccccc1C(=O)N1CCN(CC1)S(=O)(=O)c1cccs1
Cc1ccc(s1)C(=O)NC1CCCC1
Cc1noc(C)c1C(=O)Nc1ccc2ccccc2c1
Cc1onc(c1C(=O)NCc1ccc2OCOc2c1)-c1c(F)cccc1Cl |(9.04,-3.47,;7.89,-2.44,;6.39,-2.76,;5.62,-1.43,;6.65,-.28,;8.05,-.91,;9.39,-.14,;10.16,1.19,;10.72,-.91,;12.06,-.14,;13.39,-.91,;13.39,-2.45,;14.72,-3.22,;16.06,-2.45,;17.51,-2.92,;18.41,-1.68,;17.51,-.44,;16.06,-.91,;14.72,-.14,;5.62,.86,;4.11,.54,;3.63,-.92,;3.08,1.69,;3.56,3.15,;5.06,3.47,;6.09,2.33,;7.6,2.65,)|
COc1ccc(cc1)N1CCN(CC1)C(=O)c1cc(C)oc1C
Cc1noc(C)c1C(=O)Nc1nccs1
CCN(CC)c1ccc(NC(=O)c2c(C)noc2C)cc1
CC(C)(C)c1ccc(OCC(=O)N2CCN(CC2)c2ncccn2)cc1
Fc1ccc(cc1)S(=O)(=O)Cc1nnnn1-c1ccccc1
CC(COc1ccc(cc1)C(C)C)NC(=O)c1ccc(Br)o1
COc1ccc(CCN2CC(CCC2=O)C(=O)NCCc2ccccn2)cc1
Cc1cccc(CCNC(=O)CC2N(Cc3ccccc3C)CCNC2=O)n1
Cc1c(C)c2cc(ccc2n1Cc1ccc(F)cc1)C(=O)N1CCN(CC1)c1ccccn1
Fc1ccc(cc1)N1CC(CC1=O)C(=O)NCCS(=O)(=O)N1CCN(CC1)c1ccccc1F
COc1ccc(CN2CCc3ccc(NC(=O)c4ccncc4)cc3C2)c(F)c1
CCn1cc(CN2CCC(CC2)n2nccc2NC(=O)Cc2ccccc2)cn1
CCS(=O)(=O)c1nc(c(NCCN2CCOCC2)s1)S(=O)(=O)c1ccc(C)cc1
COCC1CCN(C1)C(=O)c1ccc2oc(Cc3ccccc3)nc2c1
COCC1CCCCN1C(=O)c1ccc2oc(CCCc3ccccc3)nc2c1
Nc1ncc(Br)cc1S(=O)(=O)Nc1cc(cc(c1)C(F)(F)F)C(F)(F)F
CCC(C(=O)NCC1CCCO1)n1nc(C)c2sc3ccccc3c2c1=O
CCC(C(=O)N1CCC(CC1)N1CCCCC1)n1nc(C)c2sc3ccccc3c2c1=O
Cc1nn(CC(=O)Nc2c(F)c(F)cc(F)c2F)c(=O)c2cccn12
CCCn1cc(CN2CCC(CC2)n2nccc2NC(=O)c2ccccc2)c(C)n1
CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)N1CCCCCC1
COc1ccc(NC(=O)Cn2nnc(C(=O)NCc3cccs3)c2N)cc1Cl
Cc1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2C)cc1C
CCOc1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1cccc(C)c1
COC(=O)c1nc(NC(=S)NC(=O)c2cccs2)sc1C
COc1ccc(cc1)S(=O)(=O)NCC1CCCN(Cc2ccc(OC)cc2F)C1
COc1ccc(CN(C)S(=O)(=O)c2nnc(NC(=O)c3ccccc3Br)s2)cc1
Fc1ccc(CNC(=O)c2ccc(NC(=O)C3=CSCCO3)cc2)cc1 |t:16|
CC(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(cc1Cl)[N+]([O-])=O
COc1ccccc1C(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
Cc1ccccc1N1CCN(CC1)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
Cc1ccc(cc1)C(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
CN(C1CCCCC1)C(=O)CSc1nc(-c2ccc(cc2)C(C)(C)C)c(C#N)c(=O)[nH]1
Clc1cccc(c1)C1C(C(=O)c2ccco2)C(=O)C(=O)N1Cc1ccco1
Cc1ccc2cccc(NS(=O)(=O)c3ccccc3)c2n1
CCn1cc(CN2CCC(CC2)C(=O)Nc2ccc(Oc3cccnc3)cc2)cn1
Brc1ccc(cc1)S(=O)(=O)N\C(=N\Cc1ccccc1)c1ccccc1
CC1CN(CC(C)O1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
Cc1ccc(c(c1)[N+]([O-])=O)S(=O)(=O)Nc1cccc2cccnc12
Cc1ccc(CN(C2CCS(=O)(=O)C2)C(=O)c2ccco2)cc1
COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)COc2ccc(C)cc2)c1
OC(=O)CN1C(=S)S\C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C1=O
COc1cc(\C=C\c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1
Cc1cccc(NC(=O)C(=O)NNC(=O)c2ccc(cc2)C(C)(C)C)c1
[O-][N+](=O)c1ccc(o1)C(=O)Nc1cccc(NC(=O)c2ccco2)c1
CCn1c2ccccc2c(O)c(C(=O)NNC(=O)Cc2ccccc2)c1=O
Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2Br)c1=O
O=S(=O)(Nc1cccc2cccnc12)c1ccccc1
CCOc1cccc(c1)N(C(C(=O)NC1CCCC1)c1cccnc1)C(=O)c1ccco1
Clc1ccccc1Cn1nnc2c1nc([nH]c2=O)C1CCN(CC1)C(=O)c1cccs1
CCn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2)c1=O
COc1ccc(cc1)-c1sc2ccccc2c1C#CC1(O)CCCCC1
OCCCCC#Cc1c(sc2ccccc12)-c1ccsc1
COc1cccc2oc3cc(ccc3c(=O)c12)-c1ccc2[nH]ccc2c1
CCOC(=O)c1ccc(cc1F)-c1ccc2c(c1)n(C)c1ccccc1c2=O
CCc1nc(SCC(=O)Nc2ccccc2OC)c2c(C)c(C)sc2n1
Cn1c2ccccc2c(O)c(C(=O)NNC(=O)c2ccccc2F)c1=O
Cc1cccc(c1)C(=O)NNC(=O)c1c(O)c2ccccc2n(C)c1=O
COc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)c2ncccc12
Oc1c(Br)cc(Br)cc1C(=O)CSC(=S)N1CCOCC1
CCOC(=O)c1ccc(NC(=O)c2sc3nc4CCCn4c(=O)c3c2C)cc1
CCc1ccc(cc1S(=O)(=O)Nc1cccc(CN2CCCC2)c1)-c1cc(C)no1
CCc1nn(CCCC(=O)NCc2ccccc2Br)c(=O)c2cc3occc3n12
CN1C(=O)\C(Sc2ccc(cc12)C(=O)N1CCN(CC1)c1ccccn1)=C\c1ccc(cc1)C(F)(F)F
O=C(N1CCN(CC1)c1ccccn1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
CC1Cc2cc(ccc2N1C(C)=O)S(=O)(=O)N1CCC(CC1)C(=O)Nc1cc(C)ccn1
Fc1ccc(CNC(=O)CN2C(=O)COc3ccc(cc23)S(=O)(=O)N2CCCCC2)cc1
CCOc1ccccc1NC(=O)c1nc(ncc1Cl)S(=O)(=O)Cc1ccccc1
COC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2cccc(C)c2)cc1
CCc1ccc(cc1)S(=O)(=O)N=C1C=C(Nc2ccc(cc2)C(O)=O)C(=O)c2ccccc12 |w:11.11,t:14|
O=C(NCCc1ccccn1)c1ccc(OC2CCN(Cc3ccccn3)CC2)cc1
COc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)NC1CCCCCC1
Brc1ccc2[nH]cc(\C=C(/C#N)c3ccccn3)c2c1
Cc1ccc(o1)C(=O)C1C(N(Cc2ccco2)C(=O)C1=O)c1cccc(Br)c1
COc1cccc(c1)C(=O)NC(=S)Nc1ccccc1N1CCCCC1
CC(=O)N1CCN(CC1)c1ccccc1NC(=O)c1cccs1
Cc1nn(C)c(Cl)c1CN1CCCC(C1)C(=O)Nc1ccc(cc1)-c1cscn1
CCc1ccc(cc1)-c1ccc2nnc(SCC(N)=O)n2n1
COc1cc(OC)c(NC(=O)c2sc3ncn(CC(=O)N4CCN(CC4)c4ccccn4)c(=O)c3c2C)cc1Cl
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O
COc1cc(NC(=O)CSc2ncnc3sc4CCCCc4c23)c(cc1OC)C(O)=O
COc1ccccc1C(=O)NNC(=O)C(=O)Nc1cccc(Cl)c1C
COc1ccc(cc1)C(=O)NNC(=S)NC(=O)c1cccs1
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1cccn(Cc2cccc(F)c2)c1=O
Nc1c(Cl)cc(cc1Cl)-c1csc(n1)N1CCCC1c1nc2cc(Cl)c(Cl)cc2n1CCOCCO
CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(-c2ccc(OC)cc2OC)c3=O)cc1 |(25.85,-4.66,;24.51,-3.88,;23.18,-4.65,;21.85,-3.87,;20.51,-4.64,;19.18,-3.86,;19.19,-2.32,;17.86,-1.55,;16.52,-2.31,;16.51,-3.85,;15.19,-1.54,;15.19,.07,;13.79,.86,;12.42,.04,;12.42,-1.5,;13.79,-2.33,;11.08,-2.27,;9.75,-1.5,;8.41,-2.27,;9.75,.04,;8.41,.81,;7.08,.04,;5.75,.81,;5.75,2.35,;4.41,3.12,;3.08,2.35,;7.08,3.12,;8.41,2.35,;9.75,3.12,;9.75,4.66,;11.08,.81,;11.08,2.35,;20.52,-1.56,;21.85,-2.33,)|
CN1C(=O)\C(Sc2ccc(cc12)C(=O)NCC1CCCO1)=C\c1ccccc1F
CN1C(=O)\C(Sc2ccc(cc12)C(=O)N1CCN(CC1)c1ccccn1)=C\c1ccccc1C
CCOC(=O)c1ccc(NC(=O)c2nc(ncc2Cl)S(=O)(=O)Cc2ccccc2)cc1
Cc1cc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C=Cc3ccc(C)cc3)cc2)no1 |w:19.19|
CC(=O)Nc1nnc(s1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1[N+]([O-])=O
OC(=O)CCCNc1cc(N2CCN(CC2)C(=O)c2ccco2)c2noc3-c4ccccc4C(=O)c1c23
CC1CC(C)CN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(C)o1
CCC(C(=O)NCCCN1CCCC1=O)n1c2ccccc2c2nc(=O)cc(C)n12
[O-][N+](=O)c1ccc(=O)[c-](\C=[NH+]\NC(=O)c2cccc(NC(=O)c3cccc(Cl)c3)c2)c1
CCN(c1ccc(OC)cc1)S(=O)(=O)c1nnc(NC(=O)c2ccccc2Cl)s1
COc1ccccc1NC(=O)C(=O)NNC(=O)COc1ccc2ccccc2c1
CNC[C@H](Cc1ccccc1)NC[C@@H](Cc1cccc2ccccc12)NCCc1ccc(C)cc1
Cc1ccc(\C=C2\Sc3ccc(cc3NC2=O)C(=O)N2CCN(CC2)c2ccccn2)cc1
COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cccs2)cc1
Oc1ccccc1C(=O)NNC(=O)CCN1C(=S)S\C(=C/c2ccccc2Cl)C1=O
Cc1ccc(CS(=O)(=O)c2ncc(Cl)c(n2)C(=O)Nc2ccc(OC(F)F)cc2)cc1
CCCCc1nc2cc(ccc2o1)C(=O)N1CCC(CC1)OCCOC
Clc1ccccc1C(=O)Oc1ccc(\C=C2/C(=N)N3N=C(SC3=NC2=O)N2CCOCC2)cc1 |c:20,24|
CCN(c1ccc(C)cc1C)S(=O)(=O)c1nnc(NC(=O)c2ccco2)s1
Oc1ccc(cc1)-c1c(sc2ccccc12)C1=CCCCC1 |t:19|
CC1CCN(Cc2c(nnn2-c2nonc2N)C(=O)NN=Cc2cc(Cl)ccc2O)CC1 |w:20.21|
OCC1CCN(Cc2c(nc3ccc(Cl)cn23)C(=O)N2CCc3ccccc3C2)CC1
Cc1cccc(c1C)-n1ncc2C(CCCc12)NC(=O)CCN1Cc2ccccc2C1=O
CCN(CCn1cccn1)C(=O)CC1N(CCc2ccccc2)CCNC1=O
Cc1ccc(cn1)C(=O)N1CCCC(CCC(=O)NCc2ccccc2F)C1
CCc1nnc(NS(=O)(=O)c2ccc(NCc3cc(Cl)cc(Cl)c3O)cc2)s1
COc1ccc(cc1)-c1oc2cccnc2c1C#CC1(O)CCCCC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(NC(=O)C(=O)c4c[nH]c5ccccc45)c3)cc2C(F)(F)F)CC1
Cc1nc(Nc2cnc(\C=C\c3cc(ccc3C)C(=O)Nc3cccc(c3)C(F)(F)F)cn2)cc(n1)N1CCNCC1
CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(\C=C\c4cnc(Nc5cc(nc(C)n5)N5CCNCC5)cn4)c3)cc2C(F)(F)F)CC1
CCCCc1nc(N2CCN(CC2)C(=O)c2ccco2)c(C#N)c2CCCCc12
COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(cc1)C(O)=O
CCOc1ccc(NC(=O)c2c(NC(=O)CNCCN3CCOCC3)sc3CCCc23)cc1
CC1CCN(CC1)c1ccccc1NC(=O)c1ccc(Br)o1
CCOc1ccc(C)cc1S(=O)(=O)NC1CCCCCC1
CCOC(=O)N1CCN(CC1)C(=O)c1cc2NC(CC(n2n1)C(F)(F)F)c1ccc2OCOc2c1
FC(F)(F)c1cccc(NC(=O)CSc2nc(nc(n2)N2CCOCC2)N2CCOCC2)c1
COCC1CCN(C1)C(=O)CCc1nnc(o1)C1(CCC1)c1ccc(Cl)cc1
Cc1c(oc2c(Cl)cc(C)cc12)C(=O)N1CCN(CC1)C(=O)c1ccco1
CC(OC(=O)C1CCC1)C(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
CCc1noc(C)c1C(=O)OCC(=O)NC(=O)c1ccccc1
CCOc1cccc(C=NNC(=O)c2ccc3OCCOc3c2)c1O |w:9.9|
CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccccc3C(O)=O)C2=O)cc1
CCc1ccc(\C=C2/SC(=S)N(CCCC(=O)Nc3ccc(cc3)C(O)=O)C2=O)cc1
Cc1ccccc1C(=O)NNC(=S)NC(=O)c1cccs1
CCCNC(=O)c1ccc(N2CCC3(CC(=NO3)c3ccccc3)CC2)c(NC(=O)c2ccco2)c1 |c:15|
CC1(CC1(Cl)Cl)C(=O)OCC(=O)Nc1nc(cs1)-c1ccc(F)c(F)c1
CC(OC(=O)Cc1n[nH]c(=O)c2ccccc12)C(=O)Nc1ccc(Cl)cn1
CC(C)CN(C1CCS(=O)(=O)C1)C(=O)COc1ccc(cc1)-c1nnco1
COc1ccc(cc1F)C(=O)N1CCCC(C1)Nc1ccc(C)c(C)c1
Cc1cccc(c1)C(=O)NCC(=O)N1CCOCC1
O=C(CNC(=O)c1ccco1)NCc1nc2ccccc2[nH]1
CCOC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccco2)C(=O)C1=O)c1cccc(Cl)c1
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C2CSC3(C)CCC(=O)N23)c1
COc1ccccc1CN1CC(CCC1=O)C(=O)NCc1ncccc1C
COc1cc(F)ccc1CN1CCC(CC1)n1nccc1NC(=O)C1CCOC1
CC1(C)CC(NC(=O)CCCN2CCCC2=O)c2cnn(c2C1)-c1ccccc1
Fc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)c(Cl)c1
Cc1c(oc2ccccc12)C(=O)NNC(=S)NCc1ccc(Cl)cc1
CC(C)C(=O)N1CCN(CC1)c1ccccc1NC(=O)COc1ccc(cc1)C1CCCCC1
OC(=O)c1cc(NC(=S)NC(=O)c2cccc(COc3ccccc3)c2)ccc1Cl
Oc1ccc(cc1NC(=O)CCCN1C(=S)S\C(=C\c2cccs2)C1=O)[N+]([O-])=O
Cc1cc(C)c(OCC(=O)N2CCN(CC2)c2ncc(cc2Cl)C(F)(F)F)c(C)c1
CC(C)Cc1nnc(NC(=O)CCC(=O)N2CCN(CC2)c2ccccc2)s1
Oc1cccc(c1)C(=O)OCc1ccc(cc1)-c1ccccc1
CCCOc1ccc(cc1OC)C1C(C(=O)c2cc3ccccc3o2)C(=O)C(=O)N1c1cc(C)on1
Clc1cccc(c1)-c1nc(cc2c3ccccc3[nH]c12)C(=O)NCC1CCCO1
CC(C)[C@H](N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)NC1CCCC1
COc1ccc(CCn2c(C)cc(C(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)c2C)cc1
[O-][N+](=O)c1ccc(o1)C(=O)Nc1nc(-c2ccco2)c(s1)-c1ccco1
O=C(NNC=C1C(=O)NC(=S)N(C2CCCCC2)C1=O)c1ccccc1 |w:4.3|
COc1ccc(OCC(=O)NNC(=S)NC(=O)C2CC2)cc1
CCn1c2nc(SCC(=O)Nc3cc(OC)ccc3OC)[nH]c(=O)c2sc1=S
COc1ccc(OC)c(c1)-n1c(C)cc(\C=C2/C(=N)N3N=C(CC(=O)N4CCOCC4)SC3=NC2=O)c1C |c:35,t:21,(3.08,5.36,;3.99,4.12,;5.52,4.28,;6.14,5.69,;7.67,5.85,;8.58,4.6,;10.11,4.76,;10.74,6.17,;7.95,3.19,;6.42,3.03,;8.86,1.95,;10.4,1.95,;11.3,3.19,;10.87,.48,;9.63,-.42,;9.63,-1.96,;10.96,-2.73,;12.3,-1.96,;12.3,-.42,;13.63,-2.73,;15.09,-2.26,;15.99,-3.5,;17.53,-3.5,;18.3,-4.84,;17.53,-6.17,;19.84,-4.84,;20.61,-3.5,;22.15,-3.5,;22.92,-4.84,;22.15,-6.17,;20.61,-6.17,;15.09,-4.74,;13.63,-4.27,;12.3,-5.04,;10.96,-4.27,;9.63,-5.04,;8.38,.48,;6.92,.01,)|
Cc1cc(=O)oc2cc(OCC(=O)N3CCN(CC3)C(=O)C3COc4ccccc4O3)ccc12
Fc1ccc(cc1)C(=O)NC(=S)N1CCCCC1c1cccnc1
Clc1ccccc1-c1nc(C#N)c(o1)N1CCN(CC1)C(=O)c1ccco1
CC(=O)N1CCc2cc(ccc12)S(=O)(=O)N1CCc2ccccc12
CC1CCc2c(C1)scc2C(=O)Nc1cccc(c1)-c1nnn[nH]1
CCC(C)c1ccccc1NS(=O)(=O)c1cnn(CC)c1
Clc1cccc(Cl)c1OCC(=O)Nc1ccccc1N1CCCC1
Cn1c(CNC(=O)CNC(=O)c2ccc(F)cc2)cc(=O)n(C)c1=O
COc1ccc(cc1CSCC(O)=O)C(=O)\C=C\c1ccc(cc1)-c1ccccc1
CCC(Oc1ccccc1)C(=O)Nc1ccccc1N1CCCCC1
Cc1c(oc2ccc(F)cc12)C(=O)Nc1nonc1-c1ccc(F)cc1
COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCc3cc(ccc3O)[N+]([O-])=O)c2c1
CC(C)C[C@H](NC(=O)N1CC(=O)Nc2ccccc12)C(=O)N[C@H](C(O)=O)c1ccccc1
CCCCn1c(CCCNC(=O)c2ccco2)nc2ccccc12
Cc1ccccc1NS(=O)(=O)c1ccc(C)c(c1)C(=O)N1CCOCC1
COc1ccc(CN(C)S(=O)(=O)c2ccc3OCCOc3c2)cc1
Cc1ccc(NC(=O)NCc2ccccn2)cc1Cl
O=C(NC1CCCCC1)NC1C2CC3CC(C2)CC1C3 |TLB:9:10:12:15.16.14,THB:9:10:13.12.19:15.16.17,17:18:12:15.16.14,17:15:12:18.10.19,14:15:10:13.12.19|
Fc1ccc(NC(=O)NCc2ccccn2)cc1Cl
CC(=NNC(=O)c1ccccc1N)c1ccc(NC(=O)Cc2ccccc2)cc1 |w:2.2|
CN1CCN(CC1)NC(=O)Nc1cc(Cl)cc(Cl)c1
CCC(NC(=S)NC1CCCCC1)c1ccc(cc1)C(C)C
CCOC(=O)c1c(NC(=S)N2CCN(C)CC2)sc(C)c1-c1ccccc1
Cc1ccc(CNC(=S)NC2CCC(CC2)C(C)(C)C)cc1 |(4.41,-8.47,;4.41,-6.93,;3.08,-6.16,;3.08,-4.62,;4.41,-3.85,;4.41,-2.31,;5.75,-1.54,;5.75,,;4.41,.77,;7.08,.77,;7.08,2.31,;5.75,3.08,;5.75,4.62,;7.08,5.39,;8.41,4.62,;8.41,3.08,;7.08,6.93,;7.08,8.47,;8.62,6.93,;5.54,6.93,;5.75,-4.62,;5.75,-6.16,)|
CC(=NNC(=O)c1cc(nc2c(Cl)cccc12)-c1ccccc1)c1cccnc1 |w:2.2|
Fc1cccc(c1)C(=O)NN=C(c1ccccc1)c1cccnc1
Clc1cc(Cl)cc(NC(=O)Nc2cnccn2)c1
Fc1ccc(NC(=O)N2CCCCCC2)cc1
CCCCc1ccc(NC(=O)NCc2ccccn2)cc1
Clc1ccc(cc1Cl)C(=O)NN=Cc1ccccn1
Clc1ccc(NC(=O)Nc2ccon2)cc1Cl
CC(C)c1ccc(cc1)C(C)NC(=S)NCc1ccc(F)cc1
CCNS(=O)(=O)c1ccc(NC(=S)N2CCCC2)cc1
CCc1ccccc1NC(=O)NC(C)c1ccc2OCOc2c1
Fc1ccc(NC(=O)NCc2ccc3OCOc3c2)cc1
COc1cccc(NC(=O)NCCCCc2ccccc2)c1
CCOc1ccccc1NC(=O)NCc1ccc2OCOc2c1
CCc1ccccc1NC(=O)NNS(=O)(=O)c1cc(C)ccc1C
COc1ccc(OC)c(NC(=O)NCc2cccnc2)c1
Cc1cccc(NC(=O)NCc2ccc3OCOc3c2)c1
COc1ccc(OC)c(NC(=O)NC2CCCc3ccccc23)c1
COc1ccccc1NC(=O)NCCCCc1ccccc1
CC(C)c1ccc(NC(=O)NC(C)c2ccc3OCOc3c2)cc1
CC(=NNC(=O)c1ccc(O)cc1)c1cccc(NC(=O)c2ccccc2C)c1 |w:2.2|
CC(=NNC(=O)c1cc(Br)ccc1O)c1cccc(NC(=O)c2ccccc2F)c1 |w:2.2|
COc1cccc(c1)-c1cc(C(=O)NCC2CCCO2)c2cc(Br)cc(C)c2n1
CN(C1CCCCC1)C(=S)NC(=O)c1ccccc1
COc1ccc(CCNC(=O)c2cccc(NS(=O)(=O)c3ccccc3F)c2)cc1OC
C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C2CC2)cc1
CCN(CC)c1ccc(C=NNC(=O)CNC(=O)C2COc3ccccc3O2)c(O)c1 |w:10.10|
CCCc1cc(C(=O)Nc2ccc(cc2)C(=O)c2ccc(F)cc2)n(C)n1
CC(C)(CNC(=O)c1ccccc1)CN=C1NS(=O)(=O)c2ccccc12 |w:14.14|
COC(=O)c1c(NC(=O)c2ccn(C)n2)sc2CCCc12
COc1ccc(c(OC)c1)-c1cc(C(=O)NN=C(C)c2ccco2)c2ccccc2n1 |w:16.16|
CCn1cc(cn1)C(=O)NC(=S)Nc1ccccc1Br
Cc1cccc(c1)-c1oc2ccccc2c1-c1ccc2OCOc2c1
Cc1cccc(c1)-c1oc2ccccc2c1C#CCCCCO
COc1ccc(cc1)C#Cc1ccc2c(c1)n(C)c1ccccc1c2=O
CCOC(=O)N1CCN(CC1)C(=O)c1ccc2S\C(=C\c3ccc(OCC)c(OC)c3)C(=O)N(C)c2c1
CN(Cc1c(nnn1-c1nonc1N)C(=O)NN=C(C)c1ccccc1O)c1ccccc1 |w:17.18|
Cc1cc(=O)oc2c3CCC(C)(C)Oc3cc(OCC(=O)NC3CC3)c12
Fc1ccc(cc1)-c1cc(n2ncc(C(=O)N3CCc4ccccc4C3)c2n1)C(F)(F)F
COC(=O)c1sc(nc1C)N1C(C(C(=O)c2ccc(C)o2)C(=O)C1=O)c1ccc(cc1)[N+]([O-])=O
Cc1cccc(OCC(=O)Nc2ccc(cc2)C(=O)Nc2ccccc2C(O)=O)c1C
Cc1ccc(cc1S(=O)(=O)N1CCOCC1)C(=O)N1CCOCC1
CCC(C)c1ccc(cc1)C(C)NC(=S)NC1CCCCC1
Cc1ccccc1NC(=O)NCCCCc1ccccc1
Fc1cccc(NC(=O)N2CCCCCC2)c1
CC1(C)S[C@@H]2[C@H](NC(=O)COc3ccccc3)C(=O)N2C1C(=O)OCc1cc2ccccc2n1S(=O)(=O)c1ccccc1
OC(=O)c1cc(Br)ccc1NC(=O)c1ccc2C(=O)N(Cc3ccccc3)C(=O)c2c1
CC(C)(O)c1[nH]c2cc(F)ccc2c1C(C)(C)O
Fc1ccc(cc1)S(=O)(=O)c1nc(oc1N1CCOCC1)-c1ccccc1
CC(C)(C)c1ccc(cc1)C(=O)N1CCN(CC1)C(=O)c1ccco1
COC(=O)c1ccc(Cl)c(NC(=O)CSc2nnc(o2)-c2ccncc2)c1
COC(C(=O)Nc1ccnn1C1CCN(Cc2nccs2)CC1)c1ccccc1
Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3oc4cc(C)ccc4c3C)cc2)c1C
Cn1ncc(Cl)c1C(=O)N1CCC2(CC1)OCCO2
FC(F)(F)c1cc(Cl)cn2c(CNS(=O)(=O)c3ccccc3)nnc12
CC12CCC(OC1=O)(C(=O)NNC(=O)c1ccccc1)C2(C)C |THB:7:6:20:2.3|
COc1cc(ccc1O)C(=O)NN=Cc1ccc(OC(=O)c2ccccc2Cl)c(OC)c1
[O-][N+](=O)c1ccc(\C=C\C(=O)NNC(=O)c2ccc(F)cc2)o1
COc1ccc(C)cc1NC(=O)NC1CCCc2ccccc12
COc1ccc(cc1)S(=O)(=O)NN=C(C)c1ccncc1 |w:12.12|
Cc1ccc(CNC(=S)Nc2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2)cc1
Cc1sc2ncnc(SCC(=O)N3CCCC(C3)C(F)(F)F)c2c1C
CC(C)c1ccc(C)c(OCC(=O)Nc2ccccc2N2CCCC2)c1
COc1ccc(Br)cc1S(=O)(=O)Nc1nnc[nH]1
Clc1ccccc1COc1ccccc1C(=O)NNC(=O)c1csc(n1)N1CCOCC1
Oc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccccc1
CC(Oc1ccc(F)cc1)C(=O)Nc1ccccc1N1CCCCC1
COc1ccc(cc1OC)C(=O)NCC(=O)OCCCOC(=O)CNC(=O)c1ccc(OC)c(OC)c1
CC(OC(=O)c1ccc(NC(=O)CC#N)cc1)C(=O)NC(=O)NC1CCCCC1
Cn1c(SCC(=O)NC2(CCCCC2)C#N)nnc1-c1cccnc1
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCN(CC1)C(=S)NC(=O)c1cc(OC)cc(OC)c1
Cc1ccc(NC(=S)NC2CCSc3ccccc23)cc1C
COc1ccc(\C=C\C(=O)NC(=S)NNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1OC
Nc1nonc1-n1nnc(C(=O)NN=Cc2cc(Br)ccc2O)c1CNc1ccccc1 |w:13.13|
Cc1cccc(C)c1OCC(=O)Nc1ccccc1N1CCCCC1
CC(C)[C@H](NC(=O)N1CC(=O)Nc2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
CC1CCN(CC1)c1ccccc1NC(=O)c1cc2ccccc2o1
O=C1\C(CCC\C1=C/c1cccs1)=C\c1cccs1
COc1cc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)ccc1OCc1ccc(F)cc1
CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1
[#7]\[#6](-[#7])=[#7]\[#7]-c1ccc(cc1)-[#7]=[#7]-[#6](-[#7])=S |w:11.11|
CC(C)c1c(nnn1-c1nonc1N)C(=O)NN=Cc1cccc(OCc2ccccc2)c1
Cc1cc(no1)N1C(C(C(=O)c2cc3ccccc3o2)C(=O)C1=O)c1ccc(C)cc1
COc1cccc(C=NNC(=O)c2nnn(-c3nonc3N)c2C(C)C)c1OCc1ccc(F)cc1
Clc1ccc(SCC(=O)Nc2cc(=O)n([nH]2)-c2ccccc2)cc1
CC1CCN(CC1)c1ccc(nn1)-c1ccc(NC(=O)c2ccco2)cc1
CCCCNc1c(nc2ccccn12)-c1ccc(SC2CCCCC2)cc1
CCC(C)Sc1cc(ccc1OC)-c1nc2ccccn2c1NC1CCCCC1
CCCCNc1c(nc2cnccn12)-c1ccc(OC)c(SC2CCCCC2)c1
CCCCNc1c(nc2cc(C)ccn12)-c1ccc(OC)c(SC2CCCCC2)c1
CCC(C)Sc1cccc(c1)-c1nc2ccc(C)cn2c1NCc1ccccc1
CCCCNc1c(nc2cnccn12)-c1ccc(c(OC)c1)-c1ccc(cc1)C(C)=O
CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(o1)[N+]([O-])=O)c2C(N)=O
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1CC1
CCN1CCN(CC1)C(CNS(=O)(=O)c1ccc(C)cc1)c1cccnc1
O=C(NNC(=S)NC(=O)c1ccccc1)c1cccs1
Oc1ccc(O)n1-c1cccc(c1)C(=O)Nc1nnc(o1)-c1ccc(Br)cc1
COCCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c3ccccc3[nH]c2c1=O
Fc1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NCc2ccccc2)o1
O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)NCc1ccccc1
COc1ccc(cc1)C(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
CCCN1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)OCC)c2C(N)=O
CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:27|
Clc1ccccc1C(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
[O-][N+](=O)c1ccc(s1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:18|
O=C(Nc1nnc(o1)-c1ccncc1)c1ccc2ccccc2c1
CC1CC(CC(C)(C)C1)NC(=O)c1c(O)n2ccsc2nc1=O
Cc1cccn2c1nc(C)c(NC(=O)c1ccc3OCOc3c1)c2=O
COc1ccc(cc1)N1CCN(CC1)C(=O)Cc1csc(NC(=O)Nc2ccccc2OC)n1
COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2OC)cs1
Clc1ccc(OCC(=O)Nc2ccc(cc2)-c2ccc(nn2)N2CCOCC2)c(Cl)c1
Cc1cccc(CSC2=NCCN2S(=O)(=O)c2ccc(F)cc2)c1 |t:8|
CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccc(F)cc1
COc1ccc(CNC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1
Clc1cccc(NC(=O)Nc2nc(CC(=O)NCc3cccnc3)cs2)c1
COc1ccccc1NC(=O)Nc1nc(CC(=O)Nc2cc(F)ccc2F)cs1
Clc1cccc(NC(=O)Nc2nc(CC(=O)NCc3ccccn3)cs2)c1
COc1cc(OC)cc(c1)C(=O)Nc1nc(CC(=O)NCc2ccccc2OC)cs1
Fc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NCc2ccco2)s1
CCOc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)c(=O)n2N)cc1
O=C(CSc1nnc(NC(=O)c2ccccc2)s1)NCC1CCCO1
Cc1ccc(C)c(CSC2=NCCN2S(=O)(=O)c2ccccc2)c1 |t:9|
COc1ccccc1-c1nnc(NC(=O)c2ccc(cc2)S(=O)(=O)N(C)CC2CCCO2)o1
COc1ccc(NC(=O)CSc2ccc3nnc(-c4ccccn4)n3n2)c(OC)c1
CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1ccc(C)cc1 |c:17|
CCOC(=O)c1c(NC(=O)CCS(=O)(=O)c2ccccc2)sc2CN(C)CCc12
O=C(Nc1nc2cc3OCCOc3cc2s1)c1ccco1
Cc1ccc(C)c2sc(nc12)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O
COc1ccccc1N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)N2CCCC2)s1
COc1ccccc1N1CC(CC1=O)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
CCOC(=O)c1nn(-c2ccccc2)c(=O)cc1OCC(=O)Nc1cc(C)cc(C)c1
COc1ccc(cc1)N1CC(CC1=O)C(=O)Nc1nnc(SCc2cccnc2)s1
CNC(=O)C(=O)NCC1OCCN1S(=O)(=O)c1ccc(OC)c(OC)c1
Cc1ccc(C)c(c1)-c1nnc(NC(=O)COc2ccccc2)o1
O=C(Nc1nc(cs1)-c1ccc2OCCOc2c1)c1ccco1
CNC(=O)c1c(NC(=O)c2ccc(cc2)-n2c(O)ccc2O)sc2CC(C)CCc12
O=C(Cc1ccccc1)NCCS(=O)(=O)N1CCN(CC1)c1ccccc1
Cc1ccc(C)c(c1)-c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)o1
Fc1cccc(F)c1C(=O)NCc1nnc(SCC(=O)N2CCOCC2)o1
Fc1cccc(F)c1C(=O)NCc1nnc(SCC(=O)NCCc2ccccc2)o1
COc1ccc(cc1)S(=O)(=O)NCC(N1CCN(C)CC1)c1ccc(F)cc1
[O-][N+](=O)c1ccccc1C(=O)Nc1nnc(SCC(=O)NC2CCCC2)s1
CCOC(=O)c1csc(NC(=O)c2ccc3OCCOc3c2)n1
CC1(C)Cc2c(sc(NC(=O)c3ccc(cc3)C(=O)c3ccccc3)c2C(N)=O)C(C)(C)N1
COc1ccc(cc1)C(=O)CSc1nnc(CNC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)o1
Fc1cccc(F)c1C(=O)NCc1nnc(SCC(=O)NCc2ccccc2)o1
Clc1ccc(cc1)-c1ccc(SCC(=O)NC2CCCC2)nn1
COc1ccc(cc1)-c1nnc(NC(=O)C2CCCN2S(=O)(=O)c2cccs2)o1
COc1ccccc1-c1nnc(NC(=O)CCS(=O)(=O)c2ccccc2)o1
[O-][N+](=O)c1ccc(o1)C(=O)Nc1nc2cc3OCCOc3cc2s1
Clc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
CC(=O)Nc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(Br)o3)s2)cc1
Brc1ccc(cc1)-c1nnc(NC(=O)c2ccco2)o1
CN1CCN(CC1)C(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
COc1ccccc1CCNC(=O)C(=O)c1cn(CC(=O)N2CCCC2)c2ccccc12
O=C(CSc1nnc(CNC(=O)c2ccccc2)o1)NCCc1ccccc1
CC(C)(C)c1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NC2CCCC2)o1
Cc1ccc(cc1C)C(=O)Nc1nnc(o1)C1=COCCO1 |t:18|
[O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1cccc(c1)[N+]([O-])=O
Cc1cccc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)c1
Cc1ccccc1\C=C\C(=O)c1ccc(o1)[N+]([O-])=O
COc1cc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)ccc1O
[O-][N+](=O)c1ccc(o1)C(=O)\C=C\c1cccc(Cl)c1
Oc1c(N=O)c2ccccc2c2ccccc12
CC(C)Oc1ccc(cc1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:20|
Fc1cccc(c1)C(=O)Nc1nnc(o1)C1=COCCO1 |t:17|
CC(C)N1CCc2c(C1)sc(NC(=O)CCS(=O)(=O)c1ccccc1)c2C#N
Fc1cccc(c1)C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
Clc1ccc(cc1Cl)S(=O)(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
COc1cc(OC)cc(c1)C(=O)Nc1cccc(c1)-c1ccc(nn1)N1CCOCC1
Fc1ccc(cc1)C(=O)NCc1nnc(SCC(=O)NCc2ccccc2Cl)o1
CCN(CC)CCN(C(=O)C1=COCCO1)c1nc2cc(C)cc(C)c2s1 |t:10|
CN(C)CCCN(C(=O)c1ccc(cc1)S(=O)(=O)N1CCCCCC1)c1nc2ccc(C)cc2s1
CCc1cccc2sc(nc12)N1CCN(CC1)C(=O)c1ccc(o1)[N+]([O-])=O
O=C(Nc1ccccc1)C(=O)Nc1ccc2CCCN(C(=O)C3CC3)c2c1
CCCCCCSc1cc(ccc1OC)-c1nc2cnccn2c1NCc1ccccc1
CCCCNc1c(nc2ccc(C)cn12)-c1ccc(SC(C)CC)c(OC)c1
Cc1ccc(\C=C\C(=O)c2ccc(o2)[N+]([O-])=O)cc1
CCCCNc1c(nc2ccc(C)cn12)-c1cccc(c1)-c1ccc(OC)cc1
CCC(C)Sc1cc(ccc1OC)-c1nc2ccc(C)cn2c1NCc1ccccc1
C1CCC(CC1)Nc1c(nc2cnccn12)-c1ccc(SC2CCCCC2)cc1
Cc1ccc(C[n+]2c(cc(cc2-c2ccc(C)cc2)-c2ccc(C)cc2)-c2ccc(C)cc2)cc1
Brc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCc1ccc2OCOc2c1
COc1ccc(cc1)S(=O)(=O)N1CCOC1CNC(=O)C(=O)NCc1ccccc1Cl
CCOC(=O)c1nn(-c2ccccc2Cl)c(=O)cc1OCC(=O)Nc1cccc(OC)c1
CSc1cccc(c1)-c1nnc(NC(=O)c2cccc(c2)-n2c(O)ccc2O)o1
Fc1cccc(Cl)c1C(=O)Nc1ccc2CCCN(c2c1)S(=O)(=O)c1cccs1
COc1ccccc1CNC(=O)CSc1nc(=O)n(Cc2ccncc2)c2CCCc12
CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1cccc(C)c1C
Fc1cccc(Cl)c1CSC1=NCCN1S(=O)(=O)c1ccccc1 |t:11|
O=C(CCS(=O)(=O)c1ccccc1)Nc1nc2cc3OCCOc3cc2s1
COc1ccc(cc1)S(=O)(=O)N1CCN=C1SCc1cccc(C)c1 |c:15|
COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC(C)(C)NC2(C)C
CC(C)N1CCc2c(C1)sc(NC(=O)c1ccc(cc1)S(=O)(=O)N(C)CC1CCCO1)c2C(N)=O
COc1ccccc1C(=O)Nc1nnc(SCC(=O)NCC2CCCO2)s1
CN(CC1CCCO1)S(=O)(=O)c1ccc(cc1)C(=O)Nc1ccccc1F
Clc1ccccc1-c1nnc(NC(=O)COc2ccccc2)o1
CCN(CC)CCN(C(=O)CCS(=O)(=O)c1ccccc1)c1nc2cc(C)cc(C)c2s1
COc1ccccc1OCC(=O)Nc1c2CS(=O)(=O)Cc2nn1-c1ccc(F)cc1
CCn1c(SCC(=O)N2CC(C)OC(C)C2)nc2c3ccccc3[nH]c2c1=O
Cc1ccc(cc1)-c1cc(-c2ccc(C)cc2)[n+](-c2ccc(cc2)C([O-])=O)c(c1)-c1ccc(C)cc1
COc1ccc(cc1)C1CC(=NN1C(=O)CSC1=NCCS1)c1cccs1 |c:11,t:19|
CC(=O)c1cccc(OC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1
CC(OC(=O)CC1CCCC1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
Cc1oc(NC(=O)CSc2nnnn2-c2ccccc2)c2c1c(C)n[nH]c2=O
Cc1ccccc1C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
COc1cccc(CC(=O)OCC(=O)Nc2nnc(o2)-c2ccccc2)c1
COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2cn(nc2-c2ccc(C)cc2)-c2ccccc2)cc1
Cc1cc(C)c(C)c(c1C)S(=O)(=O)N1CCC(CC1)C(=O)NNC(=O)c1ccccc1O
CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(nn1-c1ccccc1)-c1ccccc1
CC(Oc1cccc(Cl)c1)C(=O)Nc1ccccc1N1CCCCC1
Nc1c(Cl)cc(cc1Cl)C(=O)c1n(CCC[NH3+])[n+]([O-])c2cc(ccc12)[N+]([O-])=O
Nc1c(Cl)cc(cc1Cl)C1=c2n(CC[N-]1)[n+](=O)c1cc(ccc21)[N+]([O-])=O |t:10|
Oc1ccccc1N1CCN(CC1)C(=O)c1cc(nc2ccccc12)-c1ccc(Br)cc1
[O-][N+](=O)c1ccc(OCC(=O)Nc2nc(cs2)-c2ccccn2)cc1
COc1ccc(NC(=O)CN(C)C(=O)\C=C\c2cn(nc2-c2ccc(F)cc2)-c2ccccc2)cc1
COC(=O)c1c(C)[nH]c(C(=O)OCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C
Cc1sc2ncnc(N3CCC(CC3)C(=O)Nc3ccc(Cl)cc3Cl)c2c1C
COc1cccc(COC(=O)c2ccc3c(c2)nc2CCCn2c3=O)c1OC
CSc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NCC(=O)OCC(=O)N1CCCC1=O
Cc1cc(C)c(OCC(=O)Nc2ccccc2N2CCCCC2)c(C)c1
Clc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1
Brc1ccccc1C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
[O-][N+](=O)c1ccc(o1)C(=O)Nc1cc(Cl)ccc1-n1cncn1
COc1cccc(c1)C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC([O-])=O)CC1)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
COC(=O)\N=N\C=C1/C=[N+]([O-])c2ccccc2N1O |t:8|
CCCCCCCCCCCCC/C=C/[C@H]([C@H](CO)N)O
CC/C(=C(\c1ccccc1)/c2ccc(cc2)OCCN(C)C)/c3ccccc3
[#6]-[#6@@H]-1-[#6@H](-[#8])-[#6]-[#6][C@@]2([#6])[#6@H]-1-[#6]-[#6][C@@]1([#6])[#6@H]2-[#6@H](-[#8])-[#6]-[#6@H]2\[#6](-[#6@H](-[#6][C@]12[#6])-[#8]-[#6](-[#6])=O)=[#6](/[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O
CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl
CCCCCCCCCCCCCCCC[N+](C)(C)CC
COC(=O)[C@@]12CCCN1[C@@H]([C@@H]1[C@H]2C(=O)N(C)C1=O)c1ccc(c(OC)c1)-c1cccc(Cl)c1
COc1ccc2oc(C(=O)OCC(=O)NC3(CCCC3)C#N)c(C)c2c1
CCOC(=O)c1c(NC(=O)COC(=O)c2ccc(C)s2)sc2c1CC(C)(C)NC2(C)C
Cc1cc(ccc1Br)S(=O)(=O)NCCC1=CCCCC1 |t:15|
CN(CC(=O)Nc1sc2CCCc2c1C(N)=O)CC(=O)Nc1c(C)cccc1C
Cc1cccc(OCC(=O)Nc2ccccc2N2CCCCC2)c1C
CCOc1ccccc1C(=O)OCC(=O)Nc1nnc(o1)-c1ccccc1
Cc1c(oc2ccc(Br)cc12)C(=O)NNC(=O)c1ccccc1O
O=C(NCC1(CCCCC1)N1CCCCC1)c1cccc(NS(=O)(=O)c2ccccc2)c1
COc1ccc(cc1)C(CNC(=O)c1cccc(c1)S(=O)(=O)Nc1ccccc1Cl)N1CCOCC1
Clc1ccc(cc1)-c1cc(C(=O)NNC(=O)c2csc(n2)N2CCOCC2)c2ccccc2n1
COc1ccc(NC(=O)C(OC(=O)c2cnc(C)cn2)c2ccccc2)cc1Cl
Cc1ccc(cc1)-c1cc(C(=O)N2CCN(CC2)c2ccccc2O)c2ccccc2n1
Fc1ccc(OCC(=O)Nc2nc(cs2)-c2ccccn2)cc1
CCCCCCCCCCCCCCCC[N+](C)(C)C
Oc1ccccc1N1CCN(CC1)C(=O)c1cc2ccccc2cc1O
C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2C3C(O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
CCOc1ccc(NC(=O)CN(C)C(=O)C2CN(C(=O)C2)c2ccc3OCCOc3c2)cc1OCC
CC[C@H](C)Cc1cn(nn1)[C@@H](CCCCN)C(=O)NCCCCCCCCCCC(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)CCCCCCCCCCNC(=O)[C@H](CCCCN)n1cc(C[C@@H](C)CC)nn1
COc1ccc(Sc2ccc(NC(=O)c3cccc(Cl)c3)cc2C#N)cc1
COc1ccc(cc1)S(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1C#N
CCCOc1ccc(cc1)-c1nc(Oc2ccccc2)c2ccccc2n1
COc1cccc(c1)-c1nc(OC(C)C)c2ccccc2n1
CC(C)Oc1nc(nc2ccccc12)-c1ccc(Cl)cc1
COc1nc(nc2ccccc12)-c1ccccc1
CCCOc1ccc(cc1)-c1nc(Oc2ccc(OC)cc2)c2ccccc2n1
Cc1ccc(Sc2ccc(NC(=O)c3ccc(F)cc3)cc2C#N)cc1
COc1ccc(cc1)-c1nc(OC)c2ccccc2n1
Clc1ccc(cc1)C(=O)Nc1ccc(Sc2ccccc2)c(c1)C#N