336 SMILES Strings for Oligo-1,6-glucosidase IMA1

Compound Name
SMILES String
OCC1C(O)C(O)C(O)c2nccn12
OCC1C(O)C(O)C(O)c2nc(CCc3ccccc3)cn12
CC(C)(C)CCc1cn2C(CO)C(O)C(O)C(O)c2n1
CCCCCCCCc1cn2C(CO)C(O)C(O)C(O)c2n1
Cc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
COc1ccc(CCCc2cn3C(CO)C(O)C(O)C(O)c3n2)cc1
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)-c3ccccc3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(cc3)C3CCCCC3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCc3ccc(F)cc3)cn12
OCC1C(O)C(O)C(O)c2nc(CCCC(=O)Nc3ccccc3)cn12
CC(C)(CCCc1cn2C(CO)C(O)C(O)C(O)c2n1)C(=O)Nc1ccccc1
CCCCCCCCC[N@@]1C[C@@H]([C@H]([C@@H]([C@H]1CO)O)O)O
Cc1cccc2nc([nH]c12)-c1cccc(F)c1
Clc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Oc1ccccc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
COc1cccc(c1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
Oc1ccc(cc1)-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1
COc1cccc(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c1O
C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
Oc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
O=C(CSc1nnc2c(n1)[nH]c1ccccc21)c1ccc(cc1)-c1ccccc1
Brc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
COc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
Fc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
Nc1ccc(cc1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
O=C(CSc1nnc2c(n1)[nH]c1ccccc21)c1cc2ccccc2oc1=O
CC(Sc1nnc2c(n1)[nH]c1ccccc21)C(=O)c1ccccc1
COc1ccccc1C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
COc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
Brc1cccc(c1)C(=O)CSc1nnc2c(n1)[nH]c1ccccc21
[O-][N+](=O)c1cccc(\C=N\Nc2nc(cs2)-c2ccc(Cl)cc2)c1
C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1ccc(cc1Br)[N+]([O-])=O
[O-][N+](=O)c1ccccc1\C=N\Nc1nc(cs1)-c1ccc(Cl)cc1
C\C(=N/Nc1nc(cs1)-c1ccc(Cl)cc1)c1ccc(cc1)N1CCCCC1
CN(C)c1ccc(\C=N\Nc2nc(cs2)-c2ccc(Cl)cc2)cc1
Clc1ccc(cc1)-c1csc(N\N=C\c2ccc3ccccc3c2)n1
Clc1ccc(cc1)-c1csc(N\N=C\c2ccc(OCc3ccccc3)cc2)n1
CC(C)(C)c1cc(\C=N\Nc2nc(cs2)-c2ccc(Cl)cc2)cc(c1O)C(C)(C)C
Clc1ccc(cc1)-c1csc(N\N=C\c2cccc(\C=N/Nc3nc(cs3)-c3ccc(Cl)cc3)c2)n1
Clc1ccc(cc1)-c1csc(N\N=C\c2ccc(\C=N\Nc3ncc(s3)-c3ccc(Cl)cc3)cc2)n1
COc1ccc(\C=N\Nc2nc(cs2)-c2ccc(Cl)cc2)cc1O
COc1ccc(cc1)-c1csc(N\N=C(/C)c2cccc(c2)[N+]([O-])=O)n1
COc1ccc(cc1)-c1csc(N\N=C\c2c3ccccc3cc3ccccc23)n1
COc1ccc(cc1)-c1csc(N\N=C\c2ccc(cc2)N(C)C)n1
COc1ccc(cc1)-c1csc(N\N=C\c2ccc3ccccc3c2)n1
COc1ccc(cc1)-c1csc(N\N=C\c2ccc(OCc3ccccc3)cc2)n1
COc1ccc(cc1)-c1csc(N\N=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)n1
COc1ccc(cc1)-c1csc(N\N=C\c2cccc(\C=N/Nc3nc(cs3)-c3ccc(OC)cc3)c2)n1
COc1ccc(cc1)-c1csc(N\N=C\c2ccc(\C=N\Nc3ncc(s3)-c3ccc(OC)cc3)cc2)n1
COc1ccc(cc1)-c1csc(N\N=C\c2ccc(OC)c(O)c2)n1
COc1ccc(cc1)-c1csc(N\N=C\c2ccc(O)c(O)c2)n1
C[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@H](O[C@@H]3[C@@H](CO)OC(O)[C@H](O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1N[C@H]1C=C(CO)[C@@H](O)[C@H](O)[C@H]1O |t:37|
Oc1cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc(O)c1O
Oc1cc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c(O)c1
Oc1ccc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1
Oc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1O
Oc1cccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1O
Oc1cc(O)cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1
COc1cc(\C=N\NC(=O)c2cc3ccccc3[nH]2)ccc1O
Oc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1
Oc1ccccc1\C=N\NC(=O)c1cc2ccccc2[nH]1
COc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1O
COc1ccc(O)c(\C=N\NC(=O)c2cc3ccccc3[nH]2)c1
COc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)c(I)c1O
Fc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1Br
Clc1ccc(\C=N\NC(=O)c2cc3ccccc3[nH]2)cc1
Oc1c(C(c2ccc(NC(=S)Nc3ccccc3Br)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3cccc(Br)c3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3ccc(Br)cc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
COc1ccccc1NC(=S)Nc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
COc1cccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1
COc1ccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1
Oc1c(C(c2ccc(NC(=S)Nc3ccccc3F)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3cccc(F)c3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3ccc(F)cc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3ccccc3Cl)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3cccc(Cl)c3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Cc1ccccc1NC(=S)Nc1ccc(cc1)C(c1c(O)c2ccccc2oc1=O)c1c(O)c2ccccc2oc1=O
Cc1cccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)c1
Cc1ccc(NC(=S)Nc2ccc(cc2)C(c2c(O)c3ccccc3oc2=O)c2c(O)c3ccccc3oc2=O)cc1
Oc1c(C(c2ccc(NC(=S)Nc3ccc(cc3)C(F)(F)F)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3cccc(c3)[N+]([O-])=O)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
Oc1c(C(c2ccc(NC(=S)Nc3ccc(cc3)[N+]([O-])=O)cc2)c2c(O)c3ccccc3oc2=O)c(=O)oc2ccccc12
O=C(NNS(=O)(=O)c1ccccc1)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccccc1)C(=O)NNS(=O)(=O)c1ccccc1
Brc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1)C(=O)NNS(=O)(=O)c1ccc(Br)cc1
Fc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(F)cc1)C(=O)NNS(=O)(=O)c1ccc(F)cc1
Clc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNS(=O)(=O)c1ccc(Cl)cc1
Cc1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(C)cc1)C(=O)NNS(=O)(=O)c1ccc(C)cc1
CC(C)(C)c1ccc(cc1)S(=O)(=O)NNC(=O)c1cc(nc(c1)C(=O)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C)C(=O)NNS(=O)(=O)c1ccc(cc1)C(C)(C)C
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(O)c1
COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1OC
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cc(O)ccc1O
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(O)c1O
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)cc1O
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(O)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(Cl)c1
COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1O
COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c(O)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccncc1
COc1ccc(O)c(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Cc1ccccc1\C=N\NC(=O)c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Cc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccccc1O
Cc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(O)c(Br)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccccn1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cc(O)c(O)c(O)c1
COc1ccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccco1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C/c1ccc(Cl)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccnc1
COc1cccc(\C=N\NC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)N\N=C\c1cccc(F)c1
Oc1cccc(\C=C\C(=O)c2ccccc2O)c1
c1ccc2c(c1)C(=O)C=C(O2)c3cccc(c3)O
[O-][N+](=O)c1ccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)cc1
O=c1cc(oc2ccccc12)-c1cccc(OCc2ccccc2)c1
FC(F)(F)c1ccc(c(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1)C(F)(F)F
CC(C)(C)c1ccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)cc1
FC(F)(F)Sc1cccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1
O=c1cc(oc2ccccc12)-c1cccc(OCc2ccc(cc2)C#N)c1
COc1ccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)cc1
Fc1cccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1F
Cc1cccc(COc2cccc(c2)-c2cc(=O)c3ccccc3o2)c1
O=c1cc(oc2ccccc12)-c1cccc(OCc2cccc(c2)C#N)c1
Cc1[nH]nc2OC(N)=C(C#N)C(c12)c1ccc(cc1)[N+]([O-])=O |t:7|
Cc1[nH]nc2OC(N)=C(C#N)C(c12)c1ccc(Cl)cc1Cl |t:7|
Cc1[nH]nc2OC(N)=C(C#N)C(c12)c1ccc(O)c(OCc2ccccc2)c1 |t:7|
COc1cc(ccc1OCc1ccccc1)C1c2c(C)[nH]nc2OC(N)=C1C#N |c:28|
Cc1[nH]nc2OC(N)=C(C#N)C(c12)c1ccccc1OCc1ccccc1 |t:7|
Cc1cccc2nc([nH]c12)-c1ccc(O)cc1O
Cc1cccc2nc([nH]c12)-c1ccccc1[N+]([O-])=O
Cc1cccc2nc([nH]c12)-c1ccccc1F
Cc1cccc2nc([nH]c12)-c1ccc(O)c(O)c1
Cc1cccc2nc([nH]c12)-c1cccs1
Cc1cccc2nc([nH]c12)-c1cc(O)ccc1O
COc1ccc(O)c(c1)-c1nc2cccc(C)c2[nH]1
Cc1cccc2nc([nH]c12)-c1cccc(O)c1O
Cc1cccc2nc([nH]c12)-c1ccc(F)cc1
Cc1cccc2nc([nH]c12)-c1ccc(O)cc1
Cc1cccc2nc([nH]c12)-c1cccc(O)c1
Cc1cccc2nc([nH]c12)-c1ccccc1O
COc1ccc(-c2nc3cccc(C)c3[nH]2)c(O)c1
COc1ccc(cc1O)-c1nc2cccc(C)c2[nH]1
Cc1cccc2nc([nH]c12)-c1ccncc1
Cc1cccc2nc([nH]c12)-c1ccccc1Cl
Cc1cccc2nc([nH]c12)-c1cccc(Cl)c1
Cc1cccc2nc([nH]c12)-c1ccc(Cl)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1Br
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1Cl
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccccc1F
COc1ccccc1NC(=S)NNC(=O)c1ccc(cc1)-c1nc2cc(C)c(C)cc2[nH]1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(Cl)c(Cl)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1cccc(Br)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1cccc(F)c1
COc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1cccc(c1)[N+]([O-])=O
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(Br)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(Cl)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(F)cc1
COc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(cc1)[N+]([O-])=O
Cc1cc2nc([nH]c2cc1C)-c1ccc(cc1)C(=O)NNC(=S)Nc1ccc(cc1)C(F)(F)F
Cc1cccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)c1
Cc1ccc(NC(=S)NNC(=O)c2ccc(cc2)-c2nc3cc(C)c(C)cc3[nH]2)cc1
c1c(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(nn1-c1ccccc1)-c1ccccc1
Clc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Brc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
COc1ccc(cc1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
[O-][N+](=O)c1cccc(c1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
c1c(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(nn1-c1ccccc1)-c1ccc(cc1)-c1ccccc1
[O-][N+](=O)c1ccc(cc1)-n1cc(-c2nc(c([nH]2)-c2ccccc2)-c2ccccc2)c(n1)-c1ccccc1
Cc1nn(c(C)c1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccc(cc1)[N+]([O-])=O
O=c1oc2ccccc2cc1-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Brc1ccc2oc(=O)c(cc2c1)-c1nn(cc1-c1nc(c([nH]1)-c1ccccc1)-c1ccccc1)-c1ccccc1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccccc2)nn1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)cc2)nn1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(C)c(C)c2)nn1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cc(C)cc(C)c2)nn1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2cccc(Cl)c2)nn1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Cl)cc2)nn1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(Br)cc2)nn1
COc1ccc(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)cc1
COc1ccc(OC)c(Nc2ccc(nn2)-n2nc(C)c(c2C)[N+]([O-])=O)c1
Cc1nn(c(C)c1[N+]([O-])=O)-c1ccc(Nc2ccc(cc2)[N+]([O-])=O)nn1
OC[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O
C[C@H](O)[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
OCC[C@H]1N[C@H](CO)[C@@H](O)[C@@H]1O |r|
OC(=O)CC1Oc2ccccc2-c2ccc3N(Cc4ccc(cc4)C(F)(F)F)C(=O)C(=O)c3c12
OC(=O)CC1Oc2ccccc2-c2ccc3N(Cc4ccccc4)C(=O)C(=O)c3c12
CN1C(=O)C(=O)c2c1ccc1-c3ccccc3OC(CC(O)=O)c21
COC(=O)CC1Oc2ccccc2-c2cc(C)c3N(Cc4ccccc4)C(=O)C(=O)c3c12
COC(=O)CC1Oc2ccccc2-c2ccc3N(Cc4ccc(cc4)C(F)(F)F)C(=O)C(=O)c3c12
COC(=O)CC1Oc2ccccc2-c2ccc3N(Cc4ccccc4)C(=O)C(=O)c3c12
COC(=O)CC1Oc2ccccc2-c2ccc3N(Cc4ccc(OC)cc4)C(=O)C(=O)c3c12
COC(=O)CC1Oc2ccccc2-c2cc(C)c3N(C)C(=O)C(=O)c3c12
COC(=O)CC1Oc2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12
COC(=O)CC1Nc2ccccc2-c2ccc3N(C)C(=O)C4(OCC(C)(C)CO4)c3c12
COC(=O)CC1N(C(=O)c2ccc(Cl)cc2)c2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12
COC(=O)CC1N(C(=O)c2ccccc2)c2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12
COC(=O)CC1N(C(=O)c2ccc(OC)cc2)c2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12
COC(=O)CC1N(C(C)=O)c2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12
CN1C(=O)C(=O)c2c1ccc1-c3ccccc3NC(CC(O)=O)c21
COC(=O)CC1Nc2ccccc2-c2ccc3N(Cc4ccc(OC)cc4)C(=O)C(=O)c3c12
COC(=O)CC1Nc2ccccc2-c2cc(C)c3N(C)C(=O)C(=O)c3c12
COC(=O)CC1Nc2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12
COC(=O)CC1N(c2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12)S(=O)(=O)c1ccc(F)cc1
COC(=O)CC1N(c2ccccc2-c2ccc3N(C)C(=O)C(=O)c3c12)S(=O)(=O)c1ccccc1
CCOC(=O)C1=C(C)NC(C)=C(C1C(C)C)C(=O)OCC |c:5,10|
CCCC1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC |c:14,t:9|
CCOC(=O)C1=C(C)NC(C)=C(C1C)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1C(O)=O)C(=O)OCC |c:5,10|
CCO\C(O)=C1\C(C(C(=O)OCC)=C(C)N=C1C)c1cccc(O)c1 |c:15,t:12|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OC)c(OC)c1)C(=O)OCC |c:5,10|
CCCCC1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC |c:15,t:10|
CCOC([O-])=C1C(C(C(=[OH+])OCC)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |w:3.3,c:15,t:12|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OC)cc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(C)o1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1F)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccco1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc[nH]1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(OCC)cc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(C)cc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(SC)cc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccccc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1CC)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1cccnc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1cccs1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(Cl)cc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1CC(C)C)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(O)c(O)c1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1CCc1ccccc1)C(=O)OCC |c:5,10|
CCOC(=O)C1=C(C)NC(C)=C(C1c1ccc(cc1)[N+]([O-])=O)C(=O)OCC |c:5,10|
[H][C@@]1(CC[C@@]2(C)C3=C([C@@H](O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)CC\C=C(/C)C(O)=O |r,c:6|
[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@H](C)C(O)=O |r,c:7|
[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C(=O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@]1(C)CCC(=O)O1 |r,c:7|
[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)[C@@H](O)[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@]1([H])C[C@@H]3O)[C@]1(C)CCC(=O)O1 |r,c:7|
[H][C@@]1(CC(=O)[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3=O)[C@]1(C)CCC(=O)O1 |r,c:7|
COc1ccccc1-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2ccc(C)cc2)nn1)-c1ccccc1
CCOc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(Cl)c3)nn2)cc1
COc1ccc(cc1OC)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)nn1)-c1ccccc1
CCOc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2cccc(Br)c2)nn1
Cc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(Cl)c3)nn2)c(C)c1
Fc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3ccc(Br)cc3)nn2)cc1
Cc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2ccc(Br)cc2)nn1
CCOc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(Br)c3)nn2)cc1
COc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccs3)nn2)cc1
CCOc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2ccccc2F)nn1
COc1cc(cc(OC)c1OC)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2cccc(C)c2)nn1)-c1ccccc1
COc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(Cl)c3)nn2)cc1
Cc1ccccc1NC(=O)Cn1cc(Cn2c(nc(c2-c2ccccc2)-c2ccccc2)-c2cccc(F)c2)nn1
Cc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3cccc(F)c3)nn2)c(C)c1
Fc1ccc(cc1)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)nn1)-c1ccccc1
CCOc1ccc(NC(=O)Cn2cc(Cn3c(nc(c3-c3ccccc3)-c3ccccc3)-c3ccc(cc3)C(=O)OC)nn2)cc1
COc1cc(cc(OC)c1OC)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2ccc(Cl)cc2)nn1)-c1ccccc1
COC(=O)c1ccc(cc1)-c1nc(c(-c2ccccc2)n1Cc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)nn1)-c1ccccc1
C1[C@@H]([C@H]([C@@H]([C@H]([N@@]1CCO)CO)O)O)O
OCCN1C[C@@H](F)[C@@H](O)[C@H](O)[C@H]1CO |r|
CN(C)c1ccc(cc1)-c1cnc(o1)-c1cccc(c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCCCS(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
CCN(CC)c1ccc2cc(c(=O)oc2c1)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC\N=C1/SC[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)N12 |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(Cc3cc(OCc4ccccc4)cc(OCc4ccccc4)c3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCC(c3ccccc3)c3ccccc3)nn2)[C@@H](O)[C@@H]1O |r|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CC34CC5CC(CC(C5)C3)C4)nn2)[C@@H](O)[C@@H]1O |r,TLB:12:13:16:20.19.18,THB:14:15:18:22.13.21,14:13:16.15.20:18,21:13:16:20.19.18,21:19:16:22.14.13,12:13:16.15.20:18|
O[C@H]1[C@H](O)[C@@H](O)[C@H](NCc2cn(CCCCC3CCCCC3)nn2)[C@@H](O)[C@@H]1O |r|
CCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
CCCCCCCCCCN[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O |r|
CCCCCCCCCN1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO
OCCCCCCCCCCn1cc(CN[C@@H]2[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]2O)nn1 |r|
OC[C@@H]1CNC[C@@H](O)[C@@H](O)[C@@H]1O |r|
Oc1cc(O)c2c(cc(=O)oc2c1)-c1ccc(O)c(O)c1
COc1cc(O)c2c(cc(=O)oc2c1)-c1ccc(O)c(O)c1
c1cc(c(cc1C2=C(C(=O)c3c(cc(cc3O2)O)O)O)O)O
COc1cc(ccc1O)C2=C(C(=O)c3c(cc(cc3O2)O)O)O
C\C=C(/C)C(=O)O[C@H]1[C@@H]2[C@@H](C[C@@H](C)\C=C/C(=O)[C@](C)(O)[C@@H]1OC(C)=O)OC(=O)C2=C |r,c:13|
CC1(C)Oc2ccc(C(=O)CO)c(O)c2C=C1 |c:16|
CCC\C=C1\OC(=O)c2ccccc12
Cc1ccc(cc1)S(=O)(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
CC(=O)Oc1ccc(\C=C\C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1OC(C)=O |r|
COc1cc(\C=C\C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |r|
CC(=O)Oc1ccc(\C=C\C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
OC[C@H]1O[C@@H](CNC(=O)\C=C\c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
CC(=O)Oc1cc(cc(OC(C)=O)c1OC(C)=O)C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2ccco2)[C@H](O)[C@@H](O)[C@@H]1O |r|
CC(=O)Oc1ccc(cc1)C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
COc1ccc(C(=O)NC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|
COc1ccc(cc1)C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1ccccc1C(=O)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2cccc(c2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2ccc(Cl)cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC(=O)c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNC\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNCc2cccs2)[C@H](O)[C@@H](O)[C@@H]1O |r|
COc1ccc(cc1O)C(C)NC[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
COc1ccc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c(OC)c1 |r|
COc1cc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc1O |r|
COc1ccc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1O |r|
COc1ccc(CNC[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1 |r|
OC[C@H]1O[C@@H](CNCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNCc2ccccc2O)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNCc2cccc(c2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNCc2ccc(F)cc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNCc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNCc2ccc(Cl)cc2Cl)[C@H](O)[C@@H](O)[C@@H]1O |r|
OC[C@H]1O[C@@H](CNCc2ccccc2)[C@H](O)[C@@H](O)[C@@H]1O |r|
Fc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Fc1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
O=C1c2ccccc2-c2nc3ccccc3nc12
c1ccc-2c(c1)\C(=N\N=C1/c3ccccc3-c3nc4ccccc4nc13)c1nc3ccccc3nc-21
Oc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
[O-][N+](=O)c1ccc(cc1)C(=O)\[NH+]=N\c1c2ccccc2c2[n-]c3ccccc3nc12
[O-][N+](=O)c1ccccc1C(=O)\[NH+]=N\c1c2ccccc2c2[n-]c3ccccc3nc12
Nc1ccccc1C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Cc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Ic1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Ic1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Clc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Clc1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Clc1ccccc1C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Brc1ccc(cc1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Brc1cccc(c1)C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|
Brc1ccccc1C(=O)N=Nc1c2ccccc2c2nc3ccccc3[nH]c12 |w:10.11|