669 SMILES Strings for Botulinum neurotoxin type A

Compound Name
SMILES String
O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCOCC1
CSc1nnc2n(nc(C)c2n1)-c1cccc(C)c1
O=C(Cc1nc2ccccc2n(-c2ccccc2)c1=O)c1ccccc1
O=C(NC1CC1)Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1
CCSc1nnc(o1)-c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1N
c1c(nc2nc(-c3ccccc3)c(nn12)-c1ccccc1)-c1ccccc1
COc1ccc(OC)c(c1)-c1nc2cc3ccccc3cc2nc1-c1ccccc1
CS(=O)(=O)N1N=C(CC1c1ccc2OCOc2c1)c1ccccc1 |c:5|
Cn1c2ccccc2nc(\C=C\c2ccccc2)c1=O
CCOCCSc1nc2\C(CCc2c(-c2cccs2)c1C#N)=C/c1cccs1
O=C(Nc1ccc2nc3ccccc3nc2c1)c1ccccc1
CCS(=O)(=O)N1N=C(CC1c1ccccc1)c1cccc(NS(C)(=O)=O)c1 |c:6|
Clc1c2oc3ccccc3nc2c2ccccc2c1=O
COc1ccc(cc1OC)C1CC(=NN1c1nc(C)c(s1)C(C)=O)c1cccs1 |c:13|
[O-][N+](=O)c1cccc(c1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
O=C1N=C(Nc2nc3ccccc3[nH]2)c2ccccc12 |t:2|
[O-][N+](=O)c1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:10|
COc1ccccc1[N+]1=N[C-](CC1c1ccccc1)c1ccc(cc1)[N+]([O-])=O |t:9|
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)Nc1c[nH]c(=O)[nH]c1=O
CCOc1ccc2nc3cc(NCc4ccc(OC)cc4)ccc3c(N)c2c1
Cc1cc2cc(CNC(=O)c3c(C)onc3-c3ccccc3Cl)ccc2n1C
CC(C)C(=O)NCCn1c(C)cc2ccccc12
Cc1cc2ccccc2n1CCNC(=O)COc1ccccc1
CCC(=O)NCCn1c(C)cc2ccccc12
Cc1cc2cc(CNC(=O)c3ccc(cc3)S(=O)(=O)N3CCCCC3)ccc2[nH]1
Cc1cc2ccccc2n1CCNC(=O)Cc1ccccc1
CN(C)S(=O)(=O)c1ccc(cc1)C(=O)NCc1ccc2n(C)c(C)cc2c1
Cc1cc2ccccc2n1CCNC(=O)c1ccc(cc1)S(=O)(=O)N1CCCCC1
Cc1cc2cc(CNC(=O)c3cccc(c3)[N+]([O-])=O)ccc2[nH]1
CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccccc1
CCc1cccc2c(c[nH]c12)C(=O)COC(=O)c1ccc(O)cc1
COc1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1O
COc1ccc(cc1OC)-c1oc2c(OC)c(OC)c(OC)c(O)c2c(=O)c1OC
CC1CC2(CCCC2)Nc2c(C)cccc12
OC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1
COc1ccc(cc1)C(CNC(=O)c1ccc(OC)c(c1)S(=O)(=O)N1CCCC1)N1CCCC1
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc2nc(C)sc2c1
COc1ccc(cc1)C(CNC(=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1)N1CCCC1
CN(CC(=O)NC1CCN(Cc2ccccc2)CC1)S(=O)(=O)c1ccc(Cl)cc1
COc1ccc(cc1OC)C(=O)OCC(=O)c1c[nH]c2ccccc12
COc1ccccc1C(CNC(=O)c1ccc(C)c(c1)S(=O)(=O)N1CCCCC1)N1CCCC1
[H]C12CC3([H])CC([H])(C1)CC(C2)(C3)NC(=O)COC(=O)c1cncc(Br)c1 |TLB:5:3:11:6.9.8,THB:5:6:11:3.12.2,2:3:9:1.11.8|
Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1O
CC(N=Nc1nc2ccccc2o1)c1cc2ccccc2cn1 |w:3.3|
CN(C)c1ccc(\C=C2\C[N+](C)(C)C\C(=C\c3ccc(cc3)N(C)C)C2=O)cc1
COc1cc(ccc1C=c1c2cc(-c3ccccc3)[n+](C)n2c2ccccc12)N(C)C
O=C(Cc1ccccc1)c1ccccn1
[H]C12CCC([H])(C1)c1c2cc(-c2ccc(F)nc2)c2ccn(C)c12 |TLB:23:7:6:3.2,THB:9:8:6:3.2|
CCCCCCCCC(c1nc2cc(C)c(C)cc2[nH]1)n1c2ccccc2nc(-c2ccccc2Br)c1=O
Cc1ccc(cc1)-c1nc2cc(C)c(Br)c(C)n2c1Cc1cccc(Cl)c1
Cc1cc2nc(c(Cc3cccc(Cl)c3)n2c(C)c1Br)-c1cccc(Br)c1
COc1ccccc1Cc1c(nc2cc(C)c(Br)c(C)n12)-c1ccc(C)cc1
COc1ccccc1Cc1c(nc2cc(C)c(Br)c(C)n12)-c1ccc(F)cc1
Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:8|
COc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
Clc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:8|
c1ccc(cc1)-c1nc(c(o1)-c1ccccc1)-c1ccccc1
C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccccc1 |c:3|
COc1cc(cc(OC)c1OC)C1CC(=NN1c1ccccc1)c1ccccc1 |c:15|
COc1ccc(cc1OC)C1CC(=NN1c1ccccc1)c1ccccc1 |c:13|
CN(C)c1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:12|
COc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:9|
O=C(Nc1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1)N1CCCCC1
C1Oc2ccc(cc2O1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:13|
Clc1cccc(c1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|
[O-][N+](=O)c1cccc(c1)C1C[C-](N=[N+]1c1ccccc1)c1ccccc1 |c:13|
Clc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
Cc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|
Clc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|
COc1ccccc1N1N=C(CC1c1ccccc1)c1ccccc1 |c:10|
Cc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
Cc1csc(n1)N1N=C(CC1c1ccc(F)cc1)c1cccs1 |c:8|
COc1ccc(cc1OC)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:11|
Cc1csc(n1)N1N=C(CC1c1ccc(C)cc1)c1cccs1 |c:8|
Cc1csc(n1)N1N=C(CC1c1cccc(C)c1)c1cccs1 |c:8|
COc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
Cc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:8|
c1c(nn(c1-c1ccccc1)-c1ccccc1)-c1ccccc1
O=C(N1CCOCC1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1
Clc1cccc(c1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
[O-][N+](=O)c1ccc(cc1)[N+]1=N[C-](CC1c1ccccc1)c1ccccc1 |t:10|
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:9|
Fc1ccccc1C1CC(=NN1c1ccccc1)c1ccccc1 |c:10|
Cc1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccccc1 |c:9|
COc1ccc(cc1)C1CC(=NN1c1ccccc1)c1ccccc1 |c:11|
C1C(N(N=C1c1ccccc1)c1ccccc1)c1ccco1 |c:3|
Clc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
O=C(NCc1ccccc1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1
O=C(NC1CCCCC1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1
CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccccc1 |t:10|
Clc1ccc(cc1)C1=NN(C(C1)c1ccco1)c1ccccc1 |t:8|
O=C(NC1CC1)c1ccc2nc(-c3cccs3)c(nc2c1)-c1cccs1
COc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
COc1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1nc(C)cs1 |t:9|
Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccccc1C |c:8|
Cc1ccc(cc1)-c1cn2nc(-c3ccccc3)c(nc2n1)-c1ccccc1
Cc1csc(n1)N1N=C(CC1c1ccccc1)c1ccc(C)cc1 |c:8|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCCNc1ccnc2cc(Cl)ccc12 |r|
CC(CCN(C)CC12CC3CC(CC(C3)C1)C2)Nc1ccnc2cc(Cl)ccc12 |TLB:16:7:14:11.10.12,THB:8:7:9.10.14:12,8:9:7.15.16:12,16:11:7.15.8:14,6:7:14:11.10.12,6:7:9.10.14:12|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCCNc1ccnc2ccccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCN(C)CCCCNc1ccnc2ccccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCN(C)CCCC(C)Nc1ccnc2ccccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNC(C)CCCNc1ccnc2ccccc12 |r|
CC(CCCNCc1ccc(cc1)-c1csc2ccc(cc12)C#N)Nc1ccnc2ccccc12
N#Cc1ccc2scc(-c3ccc(CNCCCCNc4ccnc5ccccc45)cc3)c2c1
N#Cc1ccc2scc(-c3ccc(CNCCCCCCNc4ccnc5ccccc45)cc3)c2c1
N#Cc1ccc(cc1)-c1ccc(s1)-c1ccc(CNCCCCCCNc2ccnc3ccccc23)cc1
N#Cc1ccc(cc1)-c1ccc(s1)-c1cccc(CNCCCCCCNc2ccnc3ccccc23)c1
CC(CCCNc1ccnc2ccccc12)NCc1ccc(cc1)-c1csc2ccc(F)cc12
CN(CCCNc1ccnc2cc(Cl)ccc12)CC12CC3CC(CC(C3)C1)C2 |TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
CC(CCNc1ccnc2cc(Cl)ccc12)NCC12CC3CC(CC(C3)C1)C2 |TLB:21:22:19.20.25:26,THB:21:20:26:27.22.23,23:22:19:25.24.26,23:24:19:27.21.22|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NCCCCCCNc1ccnc2cc(Cl)ccc12)OC(C)=O)[C@H](C)CCCNCCCCCCNc1ccnc2cc(Cl)ccc12 |r|
CC(CCCN(C)Cc1ccc(cc1)-c1csc2ccc(cc12)C#N)Nc1ccnc2ccccc12
CN(CCCCCCCCNc1ccnc2ccccc12)Cc1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)C#N
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCCNCCCCNc1ccnc2cc(Cl)ccc12 |r|
N#Cc1ccc(cc1)-c1ccc(s1)-c1ccc(CNCCCCCCCCNc2ccnc3ccccc23)cc1
CC(CCN(C)CC12CC3CC(CC(C3)C1)C2)Nc1ccnc2ccccc12 |TLB:10:11:8.9.14:15,THB:10:9:15:16.11.12,12:11:8:14.13.15,12:13:8:16.10.11|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCC(C)Nc1ccnc2ccccc12 |r|
CC(CCCNCc1ccc(cc1)-c1csc2ccc(F)cc12)Nc1ccnc2ccccc12
N#Cc1ccc(cc1)-c1ccc(s1)-c1ccc(CNCCCCNc2ccnc3ccccc23)cc1
Oc1ccc(c2cccnc12)S(=O)(=O)N1CCc2ccc(Cl)cc12
CN(c1ccccc1)S(=O)(=O)c1ccc(O)c2ncccc12
Oc1ccc(c2cccnc12)S(=O)(=O)Nc1cccc(Cl)c1
Oc1ccc(c2cccnc12)S(=O)(=O)Nc1ccccc1
CC(=O)NNc1ccc2c(ccc(O)c2n1)S(=O)(=O)N1CCc2c1cccc2Cl
CNNc1ccc2c(ccc(O)c2n1)S(=O)(=O)N1CCc2c1cccc2Cl
CCNc1ccc2c(ccc(O)c2n1)S(=O)(=O)N1CCc2c1cccc2Cl
CNc1ccc2c(ccc(O)c2n1)S(=O)(=O)N1CCc2c1cccc2Cl
Nc1ccc2c(ccc(O)c2n1)S(=O)(=O)N1CCc2c1cccc2Cl
Oc1ccc(c2cccnc12)S(=O)(=O)N1CCc2c1cccc2Cl
NNc1ccc2c(ccc(O)c2n1)S(=O)(=O)N1CCc2c1cccc2Cl
CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(O)c2ncccc12
Oc1ccc(c2cccnc12)S(=O)(=O)N1CCCCC1
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(S)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CSCC[C@H](NC(=O)C(CCN)NC(=O)[C@@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C(N)CCNc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
c1cc(ccc1\C=C\C(=O)NO)Cl
c1cc(c(cc1Cl)Cl)\C=C\C(=O)NO
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-[#16])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
OC(=O)[C@@H](OC(=O)\C=C\c1ccc(O)c(O)c1)[C@H](OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
CS(=O)(=O)SCCCCCN(O)C(=O)\C=C\c1ccc(Cl)cc1Cl
CS(=O)(=O)SCCCCCCN(O)C(=O)\C=C\c1ccc(Cl)cc1Cl
CS(=O)(=O)SCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
CCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
CS(=O)(=O)SCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
CS(=O)(=O)SCCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
CS(=O)(=O)SCCCCCCNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
CS(=O)(=O)SCCCCCCCN(O)C(=O)\C=C\c1ccc(Cl)cc1Cl
CS(=O)(=O)SCCCN
CS(=O)(=O)SCCCCC(=O)NO
CS(=O)(=O)SCCCCCC(=O)NO
CS(=O)(=O)SCCCCCCC(=O)NO
CS(=O)(=O)SCCCCCCCC(=O)NO
CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(c1)-c1cc2ccccc2o1)C(=O)NO |r|
CC[C@@H](C)[C@@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1Cl)C(=O)NO |r|
ONC(=O)CC(CC(=O)NCc1cccc(O)c1)c1ccc(Cl)cc1Cl
ONC(=O)CC(CC(=O)NCc1ccccc1O)c1ccc(Cl)cc1Cl
CCc1ccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1
Cc1ccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1
Cc1cccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1
Cc1ccccc1CNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
ONC(=O)CC(CC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
ONC(=O)CC(CC(=O)NCc1ccc(O)cc1)c1ccc(Cl)cc1Cl
Nc1ccccc1CNC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
Nc1cccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1
Nc1ccc(CNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1
ONC(=O)CC(CC(=O)Nc1ccccc1)c1ccc(Cl)cc1Cl
Cc1ccccc1NC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
Cc1cccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1
Cc1ccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1
CCc1ccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1
ONC(=O)CC(CC(=O)Nc1ccccc1O)c1ccc(Cl)cc1Cl
ONC(=O)CC(CC(=O)Nc1cccc(O)c1)c1ccc(Cl)cc1Cl
ONC(=O)CC(CC(=O)Nc1ccc(O)cc1)c1ccc(Cl)cc1Cl
Nc1ccccc1NC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
Nc1cccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)c1
Nc1ccc(NC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1
c1cc(ccc1[C@H](CCO)CC(=O)NO)Cl
OCC[C@H](CC(=O)NO)c1ccc(Cl)cc1Cl |r|
c1cc(ccc1[C@@H](CCO)CC(=O)NO)Cl
OCC[C@@H](CC(=O)NO)c1ccc(Cl)cc1Cl |r|
N[C@@H](CCCNC(N)=N)C(=O)NO |r|
ON(C=C)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CC=C)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CCCC=C)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CCCCC=C)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CCCCCC=C)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CCCCCCC=C)C(=O)\C=C\c1ccc(Cl)cc1Cl
CCCCCCCN(O)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CCCNC(=O)CI)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CCCCCC1CO1)C(=O)\C=C\c1ccc(Cl)cc1Cl
ON(CCCN1C(=O)C=CC1=O)C(=O)\C=C\c1ccc(Cl)cc1Cl |c:8|
[H][C@]1(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCN)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)c2ccc(cc2)-n2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=N)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)Cc2ccc(cc2)-n2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CCc2ccc(cc2)-n2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CCc2ccc(cc2)-n2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CNC(=O)CNC(=O)CCc2ccc(cc2)-n2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CCCn2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)CCCCCn2[se]c3ccccc3c2=O)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(O)=O |r|
CC(C)C[C@H](NC(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](CCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N1)C(=O)NCCNC(=O)Cc1ccc(cc1)-n1[se]c2ccccc2c1=O |r|
NCCNC(=O)Cc1ccc(cc1)-n1[se]c2ccccc2c1=O
OC(=O)CCCc1ccc(cc1)C1[Se]c2ccccc2C1=O
OC(=O)Cc1ccc(cc1)-n1[se]c2ccccc2c1=O
OC(=O)CCc1ccc(cc1)-n1[se]c2ccccc2c1=O
OC(=O)CCCn1[se]c2ccccc2c1=O
OC(=O)CCCCCn1[se]c2ccccc2c1=O
Oc1c(cc(Cl)c2cccnc12)C(NS(=O)(=O)c1ccccc1)c1cccc(F)c1
NC(=N)c1ccc2oc(\C=C\C=C\C=C\c3cc4cc(ccc4o3)C(N)=N)cc2c1
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](S)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#8])-[#6](=O)-[#7]-[#6]-[#6](-[#8])=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](-[#8])=O |r|
[#6]-[#6@@H](-[#8])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
[#7]\[#6](-[#7])=[#7]/[#6]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](-[#8])=O |r|
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](-[#8])=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#16])-[#6]-c1ccccc1)-[#6](-[#6])-[#6])-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#8])=O |r|
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](S)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
CSCC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](S)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
NC(=N)NN=Cc1ccc(cc1)-c1cc2ccc(C=NNC(N)=N)cc2s1 |w:18.18,4.3|
C1CN=C(N1)c1cc2ccc(\C=C\c3cc4ccc(cc4[nH]3)C3=NCCN3)cc2[nH]1 |c:2,t:25|
Clc1ccc2c(NCCCNCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1
NC(=N)c1ccc2cc([nH]c2c1)-c1ccc(Oc2ccc(cc2)C(=N)NCCCNc2ccnc3cc(Cl)ccc23)cc1
NC(=N)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(=N)NCCCNc2ccnc3cc(Cl)ccc23)cc1
NC(=N)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1
Cc1cc(Cl)ccc1\C=C\C(=O)NO
CCCCCc1ccc(cc1)C(=O)NO
Clc1ccc(\[#6]=[#6]-2\[#6](=O)-[#6]=[#6]-[#6]-2=O)c(Cl)c1 |c:9|
Clc1ccc(CN2C(=O)C=CC2=O)c(Cl)c1 |c:9|
[#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#16])-[#7]-[#6](-[#6])=O)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](-[#7])=O |r|
Oc1c(ccc2cccnc12)C(Nc1cccc2cccnc12)c1ccccc1
Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccc1
Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccc(cc1)C(F)(F)F
Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccccc1F
CCOc1ccc(cc1)C(Nc1cccnc1)c1cc(Cl)c2cccnc2c1O
CC(=C)[C@@H]1CC[C@]2(COC(=O)CCC(O)=O)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12 |r|
CC(C)c1ccc(C)c(OCC(=O)OC[C@]23CC[C@H]([C@@H]2[C@H]2CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]2(C)CC3)C(C)=C)c1 |r|
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)C(=O)O
Cc1cc(NCCCN)c2ccc3c(ccc4c(NCCCN)cc(C)nc34)c2n1
Cc1cc(NCCN)c2ccc3c(ccc4c(NCCN)cc(C)nc34)c2n1
COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1I
N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2[nH]1
COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
Ic1cccc(\C=C(/C#N)c2nc3ccccc3[nH]2)c1
COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1Br
COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1Cl
COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1F
COc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1OC
COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc(Cl)c1O
COc1cc(cc(Br)c1O)-c1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc1
N#C\C(=C/c1ccc(cc1)-c1ccccc1)c1nc2ccccc2[nH]1
N#C\C(=C/c1ccc(cc1)-c1ncc[nH]1)c1nc2ccccc2[nH]1
COc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)cc(OC)c1OC
Clc1ncc(cc1\C=C(/C#N)c1nc2ccccc2[nH]1)-c1ccccc1
Clc1ncnc(Cl)c1\C=C(/C#N)c1nc2ccccc2[nH]1
Cc1c(\C=C(/C#N)c2nc3ccccc3[nH]2)sc2ccccc12
Brc1ccc2[nH]cc(\C=C(/C#N)c3nc4ccccc4[nH]3)c2c1
[O-][N+](=O)c1cccc2[nH]cc(\C=C(/C#N)c3nc4ccccc4[nH]3)c12
N#C\C(=C/c1c[nH]c2c1ccc1ccccc21)c1nc2ccccc2[nH]1
Cc1ccc(\C=C(/C#N)c2nc3ccccc3[nH]2)s1
Cc1cc(\C=C(/C#N)c2nc3ccccc3[nH]2)sc1C
N#C\C(=C/c1cccs1)c1nc2ccccc2[nH]1
N#C\C(=C/c1ccc(s1)-c1ccco1)c1nc2ccccc2[nH]1
N#C\C(=C/c1ccc(o1)-c1cccs1)c1nc2ccccc2[nH]1
N#C\C(=C/c1ccc(s1)-c1cccs1)c1cc2ccccc2[nH]1
N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2s1
N#C\C(=C/c1ccc(s1)-c1cccs1)c1nc2ccccc2o1
N#C\C(=C/c1ccc(s1)-c1cccs1)c1ccc2ccccc2n1
Cn1c(\C(=C\c2ccc(s2)-c2cccs2)C#N)[n+](C)c2ccccc12
Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccccc1
Oc1c(cc(Cl)c2cccnc12)[C@H](Nc1ccccn1)c1ccccc1 |r|
Oc1c(cc(Cl)c2cccnc12)[C@@H](Nc1ccccn1)c1ccccc1 |r|
NCCCCCCCNCCCCCCCNC(=O)c1cc(CCC(=O)NO)c(CCC(O)(c2ccccc2)c2ccccc2)[nH]1
CN(C)CCNC(=N)c1ccc2cc([nH]c2c1)-c1ccc(Oc2ccc(cc2)C(N)=NCCN(C)C)cc1 |w:30.33|
C1CN=C(N1)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3s2)C2=NCCN2)cc1 |c:2,t:29|
OC1CNC(=NC1)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C2=NCC(O)CN2)cc1 |c:4,t:31|
C1CN=C(N1)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C2=NCCN2)cc1 |c:2,t:29|
C1CN=C(N1)c1ccc(cc1)-c1cc2ccc(cc2[nH]1)C1=NCCN1 |c:2,t:24|
C1CNC(=NC1)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C2=NCCCN2)cc1 |c:3,t:30|
C1CN=C(N1)c1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C2=NCCN2)cc1 |c:2,t:29|
NC(=N)c1ccc2cc([nH]c2c1)-c1ccc(Oc2ccc(cc2)C#N)cc1
Clc1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C2=NCCN2)c(Cl)c1 |t:24|
C1CNC(=NC1)c1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3[nH]2)C2=NCCCN2)cc1 |c:3,t:30|
Clc1cc(ccc1Oc1ccc(cc1)-c1cc2ccc(cc2[nH]1)C1=NCCN1)C#N |t:27|
C1CN=C(N1)c1ccc(cc1)-c1cc2ccc(cc2s1)C1=NCCN1 |c:2,t:24|
COc1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C2=NCCN2)cc1 |t:25|
C1CNC(=NC1)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3s2)C2=NCCCN2)cc1 |c:3,t:30|
NCCNc1ccc(Oc2ccc(cc2)-c2nc3ccc(cc3s2)C2=NCCN2)cc1 |t:27|
C1CNC(=NC1)c1ccc(Oc2ccc(nc2)-c2cc3ccc(cc3[nH]2)C2=NCCCN2)cc1 |c:3,t:30|
C1CN=C(N1)c1ccc(Oc2ccc(nc2)-c2cc3ccc(cc3[nH]2)C2=NCCN2)cc1 |c:2,t:29|
N#Cc1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C#N)cc1
NC(=O)c1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=O)cc1
N#Cc1ccc(Oc2ccc(nc2)-c2cc3ccc(cc3[nH]2)C#N)cc1
Clc1cc(ccc1Oc1ccc(cc1)-c1cc2ccc(cc2[nH]1)C#N)C#N
Clc1ccc2cc([nH]c2c1)-c1ccc(Oc2ccc(cc2)C2=NCCN2)cc1 |t:24|
Fc1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C#N)cc1
NC(=O)c1ccc2cc([nH]c2c1)-c1ccc(Oc2ccc(F)cc2)cc1
NC(=N)c1ccc2cc([nH]c2c1)-c1ccc(Oc2ccc(F)cc2)cc1
Fc1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C2=NCCN2)cc1 |t:24|
COc1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=O)cc1
COc1ccc(Oc2ccc(cc2)-c2cc3ccc(cc3[nH]2)C(N)=N)cc1
C1CNC(=NC1)c1ccc(cc1)-c1cc2ccc(cc2[nH]1)C1=NCCCN1 |c:3,t:25|
C1CNC(=NC1)c1ccc(cc1)-c1cc2ccc(cc2s1)C1=NCCCN1 |c:3,t:25|
NC(=O)c1ccc2nc(sc2c1)-c1ccc(Oc2ccc(F)cc2)cc1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(F)cc1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccnc1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cn[nH]c1
ONC(=O)\C=C\c1ccc(Br)cc1Cl
c1ccc(c(c1)/C=C/C(=O)NO)Cl
ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccccc1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccc(F)c1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(F)cc1F
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cc(F)c(F)c(F)c1
Nc1ccccc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1
COc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
COc1cccc(c1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Cc1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Cc1cccc(c1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cccc(c1)C(F)(F)F
ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(cc1)C(F)(F)F
ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc2OCOc2c1
CS(=O)(=O)c1ccc(cc1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccc(cc1)S(=O)(=O)N1CCOCC1
ONC(=O)\C=C\c1ccc(\C=C\c2ccccc2)cc1Cl
CC(C)COc1ccc(\C=C\C(=O)NO)c(Cl)c1
ONC(=O)\C=C\c1ccc(cc1Cl)N1CCCCC1
ONC(=O)\C=C\c1ccc(cc1Cl)N1CCOCC1
ONC(=O)\C=C\c1ccc(cc1Cl)N1CCNCC1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cncc(Cl)c1
COc1cncc(c1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
COc1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
COc1cc(C)c(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
COc1ncccc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1
COc1ccc(c(OC)n1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
COc1ncc(cc1Cl)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cnc2ccccc2c1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1ccncc1
ONC(=O)\C=C\c1ccc(cc1Cl)-c1cncnc1
COc1ncc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
CN(C)c1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
CNC(=O)c1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
CN1CCN(CC1)c1ccc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Cn1nccc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Cn1cc(cn1)-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Cn1cncc1-c1ccc(\C=C\C(=O)NO)c(Cl)c1
Cc1noc(C)c1-c1ccc(\C=C\C(=O)NO)c(Cl)c1
ONC(=O)C=Cc1ccc(cc1Cl)-c1cc[nH]n1 |w:5.5|
CCCCNC(=O)c1cc(NC(=O)c2ccc(cc2)C(=O)Nc2cc(cc(c2)C2=NCCN2)C(=O)NCCCC)cc(c1)C1=NCCN1 |t:30,47|
Clc1ccc2c(NCCCCNC(=O)c3cc(NC(=O)c4ccc(cc4)C(=O)Nc4cc(cc(c4)C4=NCCN4)C(=O)NCCCCNc4ccnc5cc(Cl)ccc45)cc(c3)C3=NCCN3)ccnc2c1 |t:37,68|
Clc1ccc2c(NCCCNC(=O)c3cc(NC(=O)c4ccc(cc4)C(=O)Nc4cc(cc(c4)C4=NCCN4)C(=O)NCCCNc4ccnc5cc(Cl)ccc45)cc(c3)C3=NCCN3)ccnc2c1 |t:36,66|
Clc1ccc2c(NCCNC(=O)c3cc(NC(=O)c4ccc(cc4)C(=O)Nc4cc(cc(c4)C4=NCCN4)C(=O)NCCNc4ccnc5cc(Cl)ccc45)cc(c3)C3=NCCN3)ccnc2c1 |t:35,64|
NC(=N)c1ccc(cc1)-c1ccc(s1)-c1ccc(cc1)C(N)=N
Clc1ccc2c(NCCNCc3ccc(cc3)-c3ccc(s3)-c3ccc(CNCCNc4ccnc5cc(Cl)ccc45)cc3)ccnc2c1
Clc1ccc2c(NCCCNCc3ccc(cc3)-c3ccc(s3)-c3ccc(CNCCCNc4ccnc5cc(Cl)ccc45)cc3)ccnc2c1
Clc1ccc2c(NCCCCNCc3ccc(cc3)-c3ccc(s3)-c3ccc(CNCCCCNc4ccnc5cc(Cl)ccc45)cc3)ccnc2c1
Clc1ccc2c(NCCCCCNCc3ccc(cc3)-c3ccc(s3)-c3ccc(CNCCCCCNc4ccnc5cc(Cl)ccc45)cc3)ccnc2c1
C[C@H]1Oc2cc3c(c(O)cc(O)c3c(O)c2C(=O)[C@@H]1C)-c1c(O)cc(O)c2c(O)c3C(=O)[C@H](C)[C@@H](C)Oc3cc12 |r,wU:34.37,18.21,wD:1.0,32.35,(21.64,-13.28,;20.3,-14.04,;18.97,-13.26,;17.62,-14.02,;16.29,-13.25,;14.96,-14.02,;13.62,-13.24,;12.29,-14.01,;10.96,-13.24,;12.29,-15.55,;13.62,-16.32,;13.62,-17.86,;14.96,-15.56,;16.28,-16.33,;16.27,-17.87,;17.62,-15.57,;18.95,-16.35,;18.93,-17.89,;20.29,-15.6,;21.62,-16.38,;13.62,-11.7,;12.29,-10.93,;10.96,-11.7,;12.29,-9.39,;13.62,-8.62,;13.62,-7.08,;14.96,-9.38,;16.28,-8.61,;16.27,-7.07,;17.62,-9.37,;18.95,-8.59,;18.93,-7.05,;20.29,-9.34,;21.62,-8.56,;20.3,-10.9,;21.64,-11.66,;18.97,-11.68,;17.62,-10.92,;16.29,-11.69,;14.96,-10.92,)|
CCC[C@H]1Cc2cc3c(c(O)cc(O)c3c(O)c2C(=O)O1)-c1c(O)cc(O)c2c(O)c3C(=O)O[C@@H](CCC)Cc3cc12 |r,wU:3.2,wD:34.37,(18.54,.7,;17.2,1.46,;15.87,.68,;14.54,1.44,;13.2,.66,;11.85,1.42,;10.52,.65,;9.18,1.42,;7.85,.64,;6.51,1.41,;5.18,.64,;6.52,2.96,;7.84,3.73,;7.84,5.27,;9.18,2.96,;10.51,3.74,;10.5,5.28,;11.84,2.98,;13.17,3.77,;13.16,5.31,;14.52,3,;7.85,-.89,;6.52,-1.66,;5.18,-.9,;6.52,-3.2,;7.86,-3.97,;7.87,-5.51,;9.19,-3.19,;10.52,-3.94,;10.52,-5.48,;11.85,-3.17,;13.18,-3.92,;13.2,-5.46,;14.5,-3.14,;14.48,-1.6,;15.81,-.81,;17.15,-1.57,;18.48,-.78,;13.14,-.84,;11.83,-1.63,;10.5,-.88,;9.18,-1.65,)|
COC(=O)[C@]12Oc3ccc(c(O)c3C(=O)C1C(=O)C[C@@H](C)[C@@H]2O)-c1ccc2O[C@@]3([C@@H](O)[C@H](C)CC(=O)C3C(=O)c2c1O)C(=O)OC |r|
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,)|
Cc1cc(O)c2C(=O)c3c(O)cc(O)c(c3C(=O)c2c1)-c1c(O)cc(O)c2C(=O)c3c(O)cc(C)cc3C(=O)c12 |(18.64,-47.19,;19.97,-47.96,;19.98,-49.51,;21.31,-50.27,;21.31,-51.81,;22.64,-49.5,;23.97,-50.28,;23.97,-51.82,;25.3,-49.5,;26.62,-50.27,;26.62,-51.81,;27.96,-49.5,;27.96,-47.96,;29.29,-47.18,;26.63,-47.19,;25.3,-47.96,;23.97,-47.19,;23.97,-45.65,;22.64,-47.96,;21.31,-47.19,;26.6,-44.35,;25.27,-43.59,;23.94,-44.36,;25.27,-42.04,;26.6,-41.27,;26.61,-39.73,;27.93,-42.04,;29.26,-41.26,;29.26,-39.72,;30.59,-42.04,;31.92,-41.27,;31.91,-39.73,;33.25,-42.03,;33.25,-43.58,;34.59,-44.35,;31.92,-44.35,;30.59,-43.58,;29.26,-44.35,;29.26,-45.89,;27.93,-43.58,)|
COC(=O)c1ccc(O)c2nc3c(C=O)c(O)cc(O)c3nc12
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](c5ccccc5)NC(=O)c6ccccc6)O)O)OC(=O)c7ccccc7)(CO4)OC(=O)C)O)C)OC(=O)C
NCCCCCCCNC(=O)c1cc(CCC(=O)NO)c(CCC(O)(c2ccccc2)c2ccccc2)n1Cc1ccccc1
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc(Br)cc1 |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc(Cl)cc1 |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
COc1ccc(cc1)C12CC3CC(CC(CC(=O)NO)(C3)C1)C2 |TLB:15:14:11:22.9.8,5:8:11:20.14.13,THB:9:10:13:22.8.21,9:8:11.10.20:13,21:8:11:20.14.13,21:14:11:22.9.8|
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccccc1 |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
C1C2CC3CC1CC(C2)(C3)CC(=O)NO
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)-c1ccccc1 |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc(cc1[N+]([O-])=O)[N+]([O-])=O |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc(cc1)[N+]([O-])=O |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
Cc1ccc(cc1)C12CC3CC(CC(CC(=O)NO)(C3)C1)C2 |TLB:14:13:10:21.8.7,4:7:10:19.13.12,THB:8:9:12:21.7.20,8:7:10.9.19:12,20:7:10:19.13.12,20:13:10:21.8.7|
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc2CCCCc2c1 |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)c1ccc2ccccc2c1 |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
OCC12CC3CC(C1)CC(CC(=O)NO)(C3)C2 |TLB:7:2:5.6.8:15,10:9:5:3.7.2,1:2:5:8.9.15,1:2:5.6.8:15,THB:7:6:15:3.2.16,16:2:5:8.9.15,16:9:5:3.7.2|
ONC(=O)CC12CC3CC(C1)CC(C3)(C2)C(O)=O |TLB:13:12:8.7.6:10,4:5:8:11.13.12,15:12:8:6.5.10,THB:13:7:10:11.12.14,14:12:8:6.5.10,14:5:8:11.13.12|
ONC(=O)CC12CC3CC(CC(Br)(C3)C1)C2 |TLB:4:5:8:13.10.11,12:11:8:15.5.6,THB:10:9:6:13.11.14,10:11:8.9.15:6,14:11:8:15.5.6,14:5:8:13.10.11|
ONC(=O)CC12CC3CC(CC(Cl)(C3)C1)C2 |TLB:4:5:8:13.10.11,12:11:8:15.5.6,THB:10:9:6:13.11.14,10:11:8.9.15:6,14:11:8:15.5.6,14:5:8:13.10.11|
ONC(=O)CC12CC3CC(CC(F)(C3)C1)C2 |TLB:4:5:8:13.10.11,12:11:8:15.5.6,THB:10:9:6:13.11.14,10:11:8.9.15:6,14:11:8:15.5.6,14:5:8:13.10.11|
CC(=O)OC12CC3CC(CC(CC(=O)NO)(C3)C1)C2 |TLB:11:10:7:18.5.4,3:4:7:16.10.9,THB:5:6:9:18.4.17,5:4:7.6.16:9,17:4:7:16.10.9,17:10:7:18.5.4|
COC12CC3CC(CC(CC(=O)NO)(C3)C1)C2 |TLB:9:8:5:16.3.2,1:2:5:14.8.7,THB:3:4:7:16.2.15,3:2:5.4.14:7,15:2:5:14.8.7,15:8:5:16.3.2|
ONC(=O)CC12CC3CC(CC(O)(C3)C1)C2 |TLB:4:5:8:13.10.11,THB:10:9:6:13.11.14,10:11:8.9.15:6,14:11:8:15.5.6,14:5:8:13.10.11|
ONC(=O)CN1C(c2c[nH]c3ccccc23)c2ccccc2C1=O
ONC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)s1
ONC(=O)CC1N(C\C=C\c2ccccc2)CCNC1=O
COc1ccc(CN2CCNC(=O)C2CC(=O)NO)cc1OC
ONC(=O)C(Cc1ccccc1)NC(=O)C1CCCCC1
Cc1nnc(SCC(=O)NO)n1Cc1ccccc1
NC(=O)C1CC(=NN1c1ccccc1)C(=O)NO |c:5|
ONC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccco1
ONC(=O)CN(Cc1ccccc1)Cc1ccccc1
ONC(=O)c1ccccc1-c1ccccc1C(=O)Nc1ccccn1
Cc1[nH]c2ccccc2c1C1N(CC(=O)NO)C(=O)c2ccccc12
ONC(=O)CCN1C(c2c[nH]c3ccccc23)c2ccccc2C1=O
ONC(=O)Cc1sc(nc1O)N1CCCC1
Cc1nnc(SCc2ccccc2C(=O)NO)n1C
Cc1nc(C)c(CCC(=O)NO)c(=O)[nH]1
ONC(=O)CCC(=O)N(c1ccccc1)c1ccccc1
c1ccc2c(c1)NC(=O)[C@H](S2)CC(=O)NO
Cc1ccc(OCC(=O)NC(Cc2ccccc2)C(=O)NO)cc1
ONC(=O)C(Cc1ccccc1)NC(=O)COc1ccccc1
Cc1ccc(o1)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NO
Cc1cc(C(=O)NC(Cc2c[nH]c3ccccc23)C(=O)NO)c(C)o1
ONC(=O)Cc1nc(sc1-c1ccc(Cl)cc1)-c1cccnc1
ONC(=O)c1cccc(c1)-c1ccc(CNCC2CCCO2)o1
CCCCOc1ccccc1-c1cc([nH]n1)C(=O)NO
COc1ccccc1-c1cc([nH]n1)C(=O)NO
ONC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1
CCC(C)C(N1C(=O)c2ccccc2C1=O)C(=O)NO
Cc1ccc(CN(CC(=O)NO)S(=O)(=O)c2ccccc2)cc1
ONC(=O)Cn1nc(Cc2ccccc2)c2ccccc2c1=O
ONC(=O)CNC(=O)c1ccc2noc(-c3ccccc3)c2c1
COc1cc(NC(=O)ONC(=O)CC23CC4CC(CC(C4)C2)C3)cc(OC)c1 |TLB:12:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
Fc1ccc(NC(=O)ONC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:12:13:16:20.18.19,THB:18:17:14:20.19.21,18:19:16.17.22:14,21:19:16:22.13.14,21:13:16:20.18.19|
COc1ccc(NC(=O)ONC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
O=C(CC12CC3CC(CC(C3)C1)C2)NOC(=O)Nc1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
COCCN(CCOC)C(=O)ONC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:15:16:19:23.21.22,THB:21:20:17:23.22.24,21:22:19.20.25:17,24:22:19:25.16.17,24:16:19:23.21.22|
CN(C)C(=O)ONC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
O=C(CC12CC3CC(CC(C3)C1)C2)NOC(=O)N1CCOCC1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
CCNC(=O)ONC(=O)CC12CC3CC(CC(C3)C1)C2 |TLB:9:10:13:17.15.16,THB:15:14:11:17.16.18,15:16:13.14.19:11,18:16:13:19.10.11,18:10:13:17.15.16|
Fc1ccc(CNC(=O)ONC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:13:14:17:21.19.20,THB:19:18:15:21.20.22,19:20:17.18.23:15,22:20:17:23.14.15,22:14:17:21.19.20|
COc1ccc(CNC(=O)ONC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 |TLB:14:15:18:22.20.21,THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21|
O=C(CC12CC3CC(CC(C3)C1)C2)NOC(=O)NCc1ccccc1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
CC1(C)ON=C(CC23CC4CC(CC(C4)C2)C3)O1 |t:4,TLB:6:7:10:14.12.13,THB:12:11:8:14.13.15,12:13:10.11.16:8,15:13:10:16.7.8,15:7:10:14.12.13|
COc1cc(Cl)ccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
COc1ccc(Cl)cc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
COc1ccc(Br)cc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
COc1ccccc1\C=C\C(=O)Nc1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)CCc3ccc(F)cc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)CCc3ccccc3C(F)(F)F)ccc2n1
Cc1cc(N)c2cc(NC(=O)CCc3ccccc3C)ccc2n1
Cc1cc(N)c2cc(NC(=O)CCc3ccccc3Cl)ccc2n1
Cc1cc(N)c2cc(NC(=O)CCc3ccccc3OC(=O)c3ccccc3)ccc2n1
COc1cccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1OC
COc1ccc(OC)c(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1
COc1cccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)c1
COc1ccc(CCC(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)c3cccc(c3)-c3cccc4cccnc34)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3cccc(c3)-c3cccc4ncccc34)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3cccc(c3)-c3cncc4ccccc34)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3cccc(c3)-c3cnc4ccccc4c3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3cccc(c3)-c3ccc4ncccc4c3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3cccc4cccnc34)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3cccc4ncccc34)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3cncc4ccccc34)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3cnc4ccccc4c3)ccc2n1
COc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)CCc3ccccc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)Cc3ccc4OCOc4c3)ccc2n1
Cc1cc(N)c2cc(NC(=O)Cc3ccccc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)COc3ccc(OCc4ccccc4)cc3)ccc2n1
COc1ccc(\C=C\C(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
CN(C)c1ccc(cc1)-c1cccc(c1)C(=O)Nc1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccc4ncccc4c3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3cccnc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)-c3ccccc3)ccc2n1
COc1ccc2[nH]c(cc2c1)C(=O)Nc1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)c3cc4ccccc4o3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc4ccccc4n3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3cc4ccccc4cn3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(cc3)N3CCOCC3)ccc2n1
CN(C)c1cccc(c1)C(=O)Nc1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)c3ccco3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3cccnc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3cccc(c3)C(=O)c3ccccc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)c3ccc(Oc4ccccc4)cc3)ccc2n1
Cc1cc(c2cc(ccc2n1)NC(=O)Nc3ccc4c(c3)c(cc(n4)C)N)N
COc1ccccc1CNC(=O)Nc1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)NCc3ccccc3Cl)ccc2n1
Cc1cc(N)c2cc(NC(=O)Nc3ccc(cc3)C(=O)c3ccccc3)ccc2n1
CC(C)c1ccc(NC(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)Nc3ccc(F)cc3)ccc2n1
CCOC(=O)c1ccc(NC(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
COc1ccc(NC(=O)Nc2ccc3nc(C)cc(N)c3c2)cc1
Cc1cc(N)c2cc(NC(=O)Nc3ccc(cc3)-c3ccccc3)ccc2n1
Cc1cc(N)c2cc(NC(=O)Nc3ccc4OCOc4c3)ccc2n1
COc1ccsc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
COc1ccncc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
COc1ncccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
COc1ccccc1CCCC(=O)Nc1ccc2nc(C)cc(N)c2c1
Cc1cc(N)c2cc(NC(=O)Cc3ccccc3Cl)ccc2n1
COc1ccccc1CC(=O)Nc1ccc2nc(C)cc(N)c2c1
CCCOc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
CCOc1ccccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
COc1cc(Br)ccc1CCC(=O)Nc1ccc2nc(C)cc(N)c2c1
Clc1ccc(C(CCOCC23CC4CC(CC(Br)(C4)C2)C3)CC(=O)NOC(=O)NCc2ccccc2)c(Cl)c1 |TLB:9:10:13.12.18:15,THB:11:12:15:20.10.19,11:10:13.12.18:15,19:10:13:18.16.15,19:16:13:20.11.10,17:16:13:20.11.10,9:10:13:18.16.15|
Fc1ccc(CCNC(=O)CC(CC(=O)NOC(=O)NCc2ccccc2)c2ccc(Cl)cc2Cl)cc1
Clc1ccc(C(CC(=O)NOC(=O)NCc2ccccc2)CC(=O)Nc2ccc(Br)cc2)c(Cl)c1
Cc1ccccc1NC(=O)CC(CC(=O)NOC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
COc1cc(F)ccc1NC(=O)CC(CC(=O)NOC(=O)NCc1ccccc1)c1ccc(Cl)cc1Cl
ONC(=O)CC(CCOCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl
COc1cc(F)ccc1NC(=O)CC(CC(=O)NO)c1ccc(Cl)cc1Cl
ONC(=O)CC(CCOCC12CC3CC(CC(Br)(C3)C1)C2)c1ccc(Cl)cc1Cl |TLB:9:10:13.12.18:15,THB:11:12:15:20.10.19,11:10:13.12.18:15,19:10:13:18.16.15,19:16:13:20.11.10,17:16:13:20.11.10,9:10:13:18.16.15|
ONC(=O)CC(CCOCC=C)c1ccc(Cl)cc1Cl
ONC(=O)CC(CCOCc1ccccc1)c1ccc(Cl)cc1Cl
ONC(=O)CC(CC(=O)NCCC1CC1)c1ccc(Cl)cc1Cl
COc1ccc(CCNC(=O)CC(CC(=O)NO)c2ccc(Cl)cc2Cl)cc1
ONC(=O)CC(CC(=O)NCCc1ccc(F)cc1)c1ccc(Cl)cc1Cl
ONC(=O)CC(CC(=O)Nc1ccc(Br)cc1)c1ccc(Cl)cc1Cl
Cc1ccccc1C(Nc1ccccn1)c1ccc2cccnc2c1O
Oc1c(ccc2cccnc12)C(NC(=O)c1ccccc1)c1ccccc1Cl
CC(C)C(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
CCCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
CCC(=O)NC(c1ccccc1Cl)c1ccc2cccnc2c1O
ONC(=O)\C=C\c1sc2cc(F)ccc2c1Cl
Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
Oc1c(Cl)cc(Cl)c2cccnc12
Cc1ccc2c(Cl)cc(I)c(O)c2n1
c1cc2c(cc(c(c2nc1)O)I)Cl
Oc1c(CNc2ccccn2)ccc2cccnc12
Cc1ccc2cccc(O)c2n1
c1cc2cccnc2c(c1)O
Cc1cccc(NC(c2cccnc2)c2ccc3cccnc3c2O)c1
Cc1cccc(NC(c2ccccn2)c2ccc3cccnc3c2O)c1
Cc1cc(Cl)ccc1NC(c1cccnc1)c1ccc2cccnc2c1O
Cc1cc(Cl)ccc1NC(c1ccccn1)c1ccc2cccnc2c1O
COc1ccc(C)cc1NC(c1cccnc1)c1ccc2cccnc2c1O
COc1ccc(C)cc1NC(c1ccccn1)c1ccc2cccnc2c1O
CCCOC(=O)c1ccc(NC(c2cccnc2)c2ccc3cccnc3c2O)cc1
CCCOC(=O)c1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1
COC(=O)c1cccc(NC(c2cccnc2)c2ccc3cccnc3c2O)c1
COC(=O)c1cccc(NC(c2ccccn2)c2ccc3cccnc3c2O)c1
CCOC(=O)c1ccc(NC(c2cccnc2)c2ccc3cccnc3c2O)cc1
CCOC(=O)c1ccc(NC(c2ccccn2)c2ccc3cccnc3c2O)cc1
Oc1c(ccc2cccnc12)C(Nc1ccccc1Cl)c1cccnc1
Oc1c(ccc2cccnc12)C(Nc1ccccc1Cl)c1ccccn1
Cc1cc(C=O)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Cc1ccc(s1)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
COc1ccc(cc1)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
COc1ccc(cc1)C(Nc1ccccn1)c1ccc2cccnc2c1O
Cc1ccnc(NC(c2ccc(cc2)[N+]([O-])=O)c2ccc3ccc(C)nc3c2O)c1
Cc1ccnc(NC(c2ccc(cc2)[N+]([O-])=O)c2ccc3cccnc3c2O)c1
CN(C)c1ccc(cc1)C(Nc1cccc(C)n1)c1ccc2ccc(C)nc2c1O
CN(C)c1ccc(cc1)C(Nc1cc(C)ccn1)c1ccc2ccc(C)nc2c1O
CN(C)c1ccc(cc1)C(Nc1cc(C)ccn1)c1ccc2cccnc2c1O
CN(C)c1ccc(cc1)C(NC(=O)Cc1ccccc1)c1ccc2cccnc2c1O
CCC(=O)NC(c1ccc(cc1)N(C)C)c1ccc2cccnc2c1O
CN(C)c1ccc(cc1)C(NC(C)=O)c1ccc2cccnc2c1O
CC(=O)NC(c1ccc(C)cc1)c1ccc2cccnc2c1O
Cc1ccc(cc1)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
Cc1ccc(cc1)C(Nc1ccccn1)c1ccc2cccnc2c1O
Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(F)cc3)c(O)c2n1
Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1
CCC(=O)NC(c1ccc(OC)c(OC)c1)c1ccc2cccnc2c1O
COc1ccc(cc1OC)C(Nc1ccccn1)c1ccc2ccc(C)nc2c1O
COc1ccc(cc1OC)C(Nc1ccccn1)c1ccc2cccnc2c1O
Cc1ccnc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3ccc(C)nc3c2O)c1
Cc1ccnc(NC(c2ccc(Cl)c(Cl)c2)c2ccc3cccnc3c2O)c1
COc1cccc(c1)C(Nc1cc(C)ccn1)c1ccc2ccc(C)nc2c1O
COc1cccc(c1)C(Nc1cc(C)ccn1)c1ccc2cccnc2c1O
COc1cccc(c1)C(NC(C)=O)c1ccc2cccnc2c1O
Cc1cccc(NC(c2cccc(OCc3ccccc3)c2)c2ccc3ccc(C)nc3c2O)n1
Cc1ccc2ccc(C(Nc3ccccn3)c3cccc(OCc4ccccc4)c3)c(O)c2n1
Cc1ccnc(NC(c2cccc(c2)[N+]([O-])=O)c2ccc3ccc(C)nc3c2O)c1
Cc1ccnc(NC(c2cccc(c2)[N+]([O-])=O)c2ccc3cccnc3c2O)c1
Cc1ccnc(NC(c2ccccn2)c2ccc3ccc(C)nc3c2O)c1
Cc1ccnc(NC(c2ccccn2)c2ccc3cccnc3c2O)c1
Cc1ccnc(NC(c2ccc3ccc(C)nc3c2O)c2ccccc2[N+]([O-])=O)c1
Cc1cccc(NC(c2ccc3ccc(C)nc3c2O)c2ccccc2[N+]([O-])=O)n1
Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3C)c(O)c2n1
CC(C)Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccc1
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O)[C@H](C)CCCN(C)CCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O)[C@H](C)CCCN(C)CCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NC(C)=O)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NC(C)=O)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NS(C)(=O)=O)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NS(C)(=O)=O)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NC(=O)OC(C)(C)C)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NC(=O)OC(C)(C)C)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NS(C)(=O)=O)OC(C)=O)[C@H](C)CCCN(C)CCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NS(C)(=O)=O)OC(C)=O)[C@H](C)CCCN(C)CCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NC(=O)OC(C)(C)C)OC(C)=O)[C@H](C)CCCN(C)CCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NC(=O)OC(C)(C)C)OC(C)=O)[C@H](C)CCCN(C)CCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)N(C)C)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)N(C)C)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCN(C)CCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCN(C)CCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)N(C)C)OC(C)=O)[C@H](C)CCCN(C)CCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)N(C)C)OC(C)=O)[C@H](C)CCCN(C)CCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCN(CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)CCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCN(CCCNc1ccnc2cc(Cl)ccc12)CCC[C@@H](C)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](N)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O |r|
Clc1ccc2c(NCCNC34CC5CC(CC(C5)C3)C4)ccnc2c1 |TLB:13:14:11.12.17:18,THB:13:12:18:19.14.15,15:14:11:17.16.18,15:16:11:19.13.14|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])CC(=O)CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NCCNc1ccnc2cc(Cl)ccc12)OC(C)=O)[C@H](C)CCCNCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])CC(CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NCCCNc1ccnc2cc(Cl)ccc12)OC(C)=O)[C@H](C)CCCNCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NCCCCNc1ccnc2cc(Cl)ccc12)OC(C)=O)[C@H](C)CCCNCCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NCCCCCCNc1ccnc2cc(Cl)ccc12)OC(C)=O)[C@H](C)CCCNCCCCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NCCCCCCNc1ccnc2cc(Cl)ccc12)OC(C)=O)[C@H](C)CCCNCCCCNc1ccnc2cc(Cl)ccc12 |r|
[H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@@H](C[C@]4([H])C[C@@H](CC[C@]4(C)[C@@]3([H])C[C@H](OC(C)=O)[C@]12C)NCCCCCCNc1ccnc2cc(Cl)ccc12)OC(C)=O)[C@H](C)CCCNCCCCNc1ccnc2cc(Cl)ccc12 |r|
ONCC12CC3CC(CC(C3)C1)C2 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
NCC(=O)Nc1ccc(Oc2ccccc2)cc1
C=CC(=O)Nc1cccnc1
C=CC(=O)Nc1ccccn1
O=C(NCc1ccc(cc1)-c1ccccc1)c1nc[nH]n1
COc1ccc(OC)c(Cn2cnc(n2)C(=O)NCc2ccc(cc2)-c2ccccc2)c1
O=C1C=CC(=O)C(Nc2ccccn2)=C1 |c:2,14|
COC(=O)c1cccc(NC2=CC(=O)C=CC2=O)n1 |c:14,t:10|
O=C(NCc1ccc(Oc2ccccc2)cc1)c1ccccn1
COc1ccc(OC)c(Nc2cccc(n2)C(=O)NCc2ccc(Oc3ccccc3)cc2)c1
COc1ccc(OC)c(CNCC(=O)Nc2cccc(OCc3ccccc3)c2)c1
O=C(NCc1ccc(cc1)-c1ccccc1)c1ncn(CC2=CC(=O)C=CC2=O)n1 |c:27,t:23|
O=C(NCc1ccc(Oc2ccccc2)cc1)c1cccc(NC2=CC(=O)C=CC2=O)n1 |c:29,t:25|
O=C(CNCC1=CC(=O)C=CC1=O)Nc1cccc(OCc2ccccc2)c1 |c:9,t:5|
NCC(=O)NCc1ccc(cc1)-c1ccccc1
NCC(=O)Nc1cccc(OCc2ccccc2)c1
OC(=O)CC1=CC(=O)C=CC1=O |c:8,t:4|
FC(F)(F)c1ccc(cc1)-c1noc(Cn2c3cc4OCOc4cc3c(=O)n(Cc3nc(no3)-c3ccc(cc3)C(F)(F)F)c2=O)n1
Fc1ccc(NC(=O)COc2ccc(\C=C3/NC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1
Fc1ccc(NC(=O)COc2cccc(\C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c2)cc1
C[C@H]1CCCCN1C(=O)CSc1nc([nH]c1S(=O)(=O)c1ccccc1)-c1ccc(C)cc1 |r|
COc1cccc(CN2[C@@H](C(=O)NC3CCC(C)CC3)c3ccccc3C2=O)c1 |r,wD:9.9,(3.03,-5.31,;4.26,-5.29,;5.02,-3.95,;6.56,-3.93,;7.31,-2.59,;6.53,-1.27,;4.99,-1.28,;4.2,.04,;2.66,.02,;1.76,1.24,;2.24,2.7,;3.45,2.95,;1.21,3.85,;1.69,5.31,;.67,6.46,;1.15,7.92,;2.66,8.23,;3.05,9.4,;3.68,7.08,;3.2,5.62,;.3,.77,;-1.03,1.55,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;.3,-.77,;1.76,-1.24,;2.15,-2.41,;4.23,-2.63,)|
CC[C@@H]1Oc2ccccc2N(CC(=O)NCCCN2CCC(Cc3ccccc3)CC2)C1=O |r|
C[C@@H]1CCCN(CCCN(Cc2cccs2)C(=S)Nc2ccc(Cl)c(C)c2)C1 |r|
COC(=O)c1c(C)nc2n(CCN3CCCCC3)c3ccccc3n12
FC(F)(F)c1ccc(cc1)-c1noc(CCn2c(=O)[nH]c3cc4OCOc4cc3c2=O)n1
Fc1ccc(NC(=O)COc2ccccc2\C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1
N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(=O)N[C@@H](CS)C(O)=O |r|
[H][C@]1(NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@H](C)O |r|
[H][C@]1(NC(=O)[C@H](Cc2cc3ccccc3[nH]2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCNC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CCCCN)NC1=O)C(N)=O)[C@H](C)O |r|
Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1F
Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1F
Cc1ccc2ccc(C(Nc3ncccn3)c3ccccc3F)c(O)c2n1
Cc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3)c(O)c2n1
Cc1ccc2ccc(C(Nc3ncccn3)c3ccc(F)cc3)c(O)c2n1
Cc1ccc2ccc(C(Nc3cccnc3)c3ccc(F)cc3F)c(O)c2n1
Cc1ccc2ccc(C(Nc3ncccn3)c3ccc(F)cc3F)c(O)c2n1
Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccccc1
Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccccc1
Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccccc1F
Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccccc1F
Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1
Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1
Oc1c(cc(Cl)c2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F
Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3F)c(O)c2n1
Cc1ccc2ccc(C(Nc3cccnc3)c3ccccc3)c(O)c2n1
Cc1ccc2ccc(C(Nc3ccccn3)c3ccccc3)c(O)c2n1
Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1F
Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccc(F)cc1F
Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1
Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1
Oc1c(ccc2cccnc12)C(Nc1ccccn1)c1ccccc1F
Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccccc1
c1cc2c(ccc(c2nc1)O)Cl
c1ccnc(c1)N
c1cnc(nc1)N
c1ccc(cc1)C=O
Fc1ccc(C=O)cc1
Fc1ccc(C=O)c(F)c1
Nc1cccnc1
Fc1ccccc1C=O
Cc1ccc2ccc(C(Nc3cccnc3)c3ccccc3F)c(O)c2n1
Cc1ccc2ccc(C(Nc3ccccn3)c3ccc(F)cc3F)c(O)c2n1
Oc1c(cc(Cl)c2cccnc12)C(Nc1cccnc1)c1ccccc1F
Oc1c(cc(Cl)c2cccnc12)C(Nc1ncccn1)c1ccc(F)cc1
Cc1ccc2ccc(C(Nc3ncccn3)c3ccccc3)c(O)c2n1
Oc1c(ccc2cccnc12)C(Nc1cccnc1)c1ccc(F)cc1F
Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccccc1F
Oc1c(ccc2cccnc12)C(Nc1ncccn1)c1ccccc1