171 SMILES Strings for Liver carboxylesterase

Compound Name
SMILES String
c1ccc2c(c1)C(=C(OC2=O)Cl)Cl
CC(C)OP(F)(=O)OC(C)C
Clc1ccc(OC(=O)N2CCC(CC2)c2nc(cs2)C2=NOC(C2)c2ccccc2)cc1 |t:21|
Clc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24|
Cc1ccccc1OC(=O)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:24|
O=C(Nc1nccs1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:22|
O=C(Nc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
O=C(Oc1ccccc1)N1CCC(CC1)c1nc(cs1)C1=NOC(C1)c1ccccc1 |t:23|
COP(=O)(OC)OC(c1ccccc1)C(F)(F)F
CCOP(=O)(OCC)OC(c1ccccc1)C(F)(F)F
CCCCOP(=O)(OCCCC)OC(c1ccccc1)C(F)(F)F
CP(=O)(OCC#C)OC(C(F)(F)F)C(F)(F)F
COC(=O)C(OP(C)(=O)OCC#C)C(F)(F)F
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N(Cc1ccc(OC)cc1OC)C(C)(C)C(=O)N[C@@H](C)Cn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1 |r|
CC(C)[C@@H](Cn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OC(C)(C)C |r|
CC[C@H](C)[C@@H](Cn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F |r|
CC(C)(N(Cc1ccccc1)C(=O)C(F)(F)F)C(=O)NCCn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1
C[C@@H](Cn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F |r|
CC(C)[C@@H](Cn1cc(COP(C)(=O)OC(C(F)(F)F)C(F)(F)F)nn1)NC(=O)CN(Cc1ccccc1)C(=O)C(F)(F)F |r|
COC(=O)C(OP(C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)C(F)(F)F)C(C)C)nn1)C(F)(F)F |r|
COC(=O)C(OP(C)(=O)OCc1cn(C[C@@H](NC(=O)CN(Cc2ccccc2)C(=O)[C@H](C)NC(=O)OC(C)(C)C)C(C)C)nn1)C(F)(F)F |r|
CN1c2ccccc2C(c2ccc(NC(C)=O)cc2)c2ccccc12
CN1c2ccccc2C(c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)c2ccccc12
C[n+]1c2ccccc2c(-c2ccccc2)c2ccccc12
Cc1ccc(cc1)-c1c2ccccc2[n+](C)c2ccccc12
C[n+]1c2ccccc2c(-c2ccc(N)cc2)c2ccccc12
C[n+]1c2ccccc2c(-c2ccc(F)cc2)c2ccccc12
COc1ccc(cc1)-c1c2ccccc2[n+](C)c2ccccc12
C[n+]1c2ccccc2c(-c2cc(cc(c2O)C(C)(C)C)C(C)(C)C)c2ccccc12
CCCCCCCCCCC(=O)C(F)(F)F
CCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
CCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
CCCCCCS(=O)(=O)CC(=O)C(F)(F)F
CCCCCCCCCCS(=O)CC(=O)C(F)(F)F
CCCCCCCCS(=O)CC(=O)C(F)(F)F
CCCCS(=O)CC(=O)C(F)(F)F
CCCCCCCCCCCCS(=O)(=O)CC(=O)C(F)(F)F
CCCCCCCCCCCCS(=O)CC(=O)C(F)(F)F
CCCCCCS(=O)CC(=O)C(F)(F)F
CCCCCCCCCCSCC(=O)C(F)(F)F
CCCCCCCCSCC(=O)C(F)(F)F
CCCCCCSCC(=O)C(F)(F)F
CCCCCCCCCCCCSCC(=O)C(F)(F)F
O=C(C(=O)c1ccccc1)c1ccccc1
CCCCSCC(=O)C(F)(F)F
C[n+]1c2ccccc2c(-c2cccs2)c2ccccc12
CN1c2ccccc2C(N2CCOCC2)c2ccccc12
CN1c2ccccc2C(c2ccccc12)n1cncn1
CN1c2ccccc2C(c2ccccc12)n1cnc(n1)[N+]([O-])=O
CN1c2ccccc2C(c2ccccc12)n1nnc2ccccc12
CN1c2ccccc2C(c2cccs2)c2ccccc12
C[n+]1c2ccccc2c(-c2ccc(NC(=O)C(F)(F)F)cc2)c2ccccc12
C[n+]1c2ccccc2c(-c2c(O)ccc3ccccc23)c2ccccc12
CN1c2ccccc2C(N2CCSCC2)c2ccccc12
c1cc(ccc1[N+](=O)[O-])OP(=O)(O)Oc2ccc(cc2)[N+](=O)[O-]
CCOC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)F)-c1ccccc1 |t:5|
COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)F |t:4|
CCOC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)F)-c1ccccc1 |t:5|
CCOC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1 |t:5|
COC(=O)C1=NNc2cc(nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)-c1ccccc1 |t:4|
CCOC(=O)C1=NNc2cc(C)nn2C1(O)C(F)(F)F |t:5|
COC(=O)C1=NNc2ncnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:4|
CCOC(=O)C1=NNc2ncnn2C1(O)C(F)(F)F |t:5|
CCOC(=O)c1ncn2c1NN=C(C(=O)OCC)C2(O)C(F)(F)F |t:12|
CCOC(=O)c1cnn2c1NN=C(C(=O)OC)C2(O)C(F)(F)C(F)(F)C(F)(F)F |t:12|
CCOC(=O)C1=NNc2cc(C)nn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:5|
CCOC(=O)C1=NNc2ncnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:5|
COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)F |t:4|
COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:4|
CCOC(=O)C1=NNc2nnnn2C1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F |t:5|
CCOC(=O)c1nnc(N)nc1C(F)(F)F
OC1(C(=NNc2ncnn12)C(=O)c1ccccc1)C(F)(F)C(F)(F)C(F)(F)F |c:2|
CCOC(=O)C1=NNc2nnnn2C1(O)C(F)(F)F |t:5|
COC(=O)C1=NNc2nnnn2C1(O)C(F)(F)F |t:4|
OC1(C(=NNc2nnnn12)C(=O)c1ccccc1)C(F)(F)F |c:2|
CCCCCCS(=O)(=O)CC(C)=O
CCCCCCC=CC(=O)C(F)(F)F |w:6.5|
CCCCCCCCC(C)=O
CCCCCCCCC(=O)C(F)F
CCCCCCCCC(=O)CF
CCCCCC[Se](=O)(=O)CC(C)=O
CCCCCC[Se]CC(C)=O
CCCCCCCC(F)(F)C(=O)C(F)(F)F
CCCCCCOCC(C)=O
CCCCCCOCC(=O)C(F)(F)F
CCCCCCSCC(C)=O
CCCCCC[Se](=O)CC(=O)C(F)(F)F
CCCCCC[Se](=O)CC(C)=O
CCCCCCC#CC(=O)C(F)(F)F
CCCCCCCCC(=O)C(F)(F)F
CCCCCC[Se]CC(=O)C(F)(F)F
CCCCCCNCC(=O)C(F)(F)F
CCCCCC[Se](=O)(=O)CC(=O)C(F)(F)F
[#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H]-1-[#8]-[#6@@H]-1-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] |r|
CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O
CN1CCc2oc3ccccc3c(=O)c2C1
CCOc1cccc2c1oc1CCN(Cc1c2=O)C(=C\C(=O)OC)\C(=O)OC
COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O)C(=O)OC
COC(=O)\C=C\N(C)Cc1c(C=C)oc2ccccc2c1=O
COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O
CC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O
COC(=O)\C=C(\N1CCc2oc3ccc(Br)cc3c(=O)c2C1)C(=O)OC
COC(=O)\C=C(\N1CCc2oc3ccccc3c(=O)c2C1)C(=O)OC
CCOc1cccc2c1oc(C=C)c(CN(Cc1ccccc1)C(=C\C(=O)OC)\C(=O)OC)c2=O
COC(=O)\C=C(\N(Cc1ccccc1)Cc1c(C=C)oc2ccccc2c1=O)C(=O)OC
CCOc1cccc2c1oc(C=C)c(CN(C)\C=C\C(=O)OC)c2=O
COC(=O)\C=C\N(C)Cc1c(C=C)oc2ccc(Br)cc2c1=O
CCOc1cccc2c1oc(C=C)c(CN(Cc1ccccc1)\C=C\C(=O)OC)c2=O
COC(=O)\C=C\N(Cc1ccccc1)Cc1c(C=C)oc2ccc(Br)cc2c1=O
CCOc1cccc2c1oc1CCN(C)Cc1c2=O
Brc1ccc2oc3CCN(Cc4ccccc4)Cc3c(=O)c2c1
CCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
OC(O)(CS(=O)(=O)CCc1ccccc1)C(F)(F)F
CCCCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
CCCCCCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
c1ccc(cc1)CCSCC(=O)C(F)(F)F
CCCCCCCCS(=O)(=O)CC(O)(O)C(F)(F)F
Clc1ccc(CN(Cc2cccnc2)C2=NCC(CBr)S2)cc1
ICC1CN=C(NCc2ccccc2)S1
CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1
BrCC1CN=C(S1)N(Cc1ccccc1)Cc1ccccc1
BrCC1CN=C(NCc2ccccc2)S1
CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1
ICC1CN=C(Nc2ccccc2)S1
BrCC1CN=C(Nc2ccccn2)S1
CC(C)(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1
CC(N(Cc1ccccc1)C1=NCC(CI)S1)c1ccccc1
Clc1ccc(CN(Cc2cccnc2)C2=NCC(CI)S2)cc1
Clc1ccccc1CN(Cc1cccnc1)C1=NCC(CI)S1
COc1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1OC
ICC1CN=C(Nc2ccc3c(c2)oc2ccccc32)S1
COc1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1
Fc1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1
CC(C)c1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1
ICC1CN=C(Nc2ccccn2)S1
BrCC1CN=C(Nc2ccccc2)S1
ICC1CN=C(S1)N(Cc1ccccc1)Cc1ccccc1
COc1ccc(CN(Cc2ccccc2)C2=NCC(CBr)S2)cc1
Clc1ccccc1CN(Cc1cccnc1)C1=NCC(CBr)S1
ICC1CN=C(Nc2ccc3OCCOc3c2)S1
Fc1ccc(CN(Cc2ccccc2)C2=NCC(CI)S2)cc1
ICC1CN=C(S1)N(Cc1ccco1)Cc1ccccc1
CC(N(Cc1ccccc1)C1=NCC(CBr)S1)c1ccccc1
NC1=NCC(CBr)S1
Clc1ccccc1CN(Cc1ccccc1)C1=NCC(CI)S1
CCOC(=O)c1ccccc1N\N=C(/C(O)=O)C(=O)C(F)(F)F
COc1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1
CCOC(=O)c1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1
OC(=O)C(=N/Nc1ccc(cc1)[N+]([O-])=O)\C(=O)C(F)(F)F
Cc1ccc(N\N=C(/C(O)=O)C(=O)C(F)(F)F)cc1
CCOC(=O)C(=N/Nc1ccccc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1cccc(C)c1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(F)cc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(Br)cc1)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccccc1C(=O)OCC)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(cc1)C(=O)OCC)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccccc1)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)F
COC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)F
COC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)F
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)C(F)(F)C(F)(F)F
COC(=O)C(=N/Nc1ccc(OC)cc1)\C(=O)C(F)(F)C(F)(F)C(F)(F)F
CCOC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
CC(=O)C(=N/Nc1ccc(C)cc1)\C(=O)C(F)(F)F
Cc1ccc(N\N=C(/C(=O)c2ccccc2)C(=O)C(F)(F)F)cc1