Compound Name

SMILES String

CC(=O)Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:17:12:19:16.15.18,17:16:12.13.11:19,THB:15:14:11:16.17.18,15:16:11:14.13.19|

CC(C)(C)C#Cc1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl

CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)C(O)=O)c2c1 |w:15.15|

CC(C)NS(=O)(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1 |w:15.15|

CC1(CCCCC1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl

CC1(SCCCS1)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl

CC12CC3CC(C)(C1)CC(C3)(C2)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:4:3:11:7.8.5,4:5:11:3.2.10,THB:2:1:8:3.4.10,2:3:1.7.11:8|

CCC(CC)(CC)c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl

Cc1ccc(CNS(=O)(=O)c2ccc3NC(=O)C(=NNc4cccc(c4)C(O)=O)c3c2)cc1 |w:18.18|

Cc1cccc(C)c1-c1cc(ccc1O)-c1ccc(\C=C\C(O)=O)cc1Cl |(-4.83,6.88,;-6.17,6.11,;-7.5,6.88,;-8.83,6.11,;-8.83,4.57,;-7.5,3.8,;-7.5,2.26,;-6.17,4.57,;-4.83,3.8,;-3.5,4.57,;-2.17,3.8,;-2.17,2.26,;-3.5,1.49,;-4.83,2.26,;-5.6,.93,;-.83,4.57,;-.83,6.11,;.5,6.88,;1.83,6.11,;3.17,6.88,;4.5,6.11,;5.84,6.88,;7.17,6.11,;5.84,8.42,;1.83,4.57,;.5,3.8,;.5,2.26,)|

NS(=O)(=O)c1ccc2NC(=O)C(=NNc3ccccc3[N+]([O-])=O)c2c1 |w:12.12|

Nc1ccc(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl |TLB:14:9:16:13.12.15,14:13:9.10.8:16,THB:12:11:8:13.14.15,12:13:8:11.10.16|

OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28|

OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(F)cc1

OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC(CC(C3)C1)C2 |TLB:26:21:28:25.24.27,26:25:21.22.20:28,THB:24:23:20:25.26.27,24:25:20:23.22.28|

OC(=O)\C=C\c1ccc(c(Cl)c1)-c1ccc(O)c(c1)C12CC3CC1CC(C2)C3 |THB:24:23:20:25.27.26,24:25:23.22:20|

OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)cc1 |w:8.7|

OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)cc1 |w:8.7|

OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)cc1 |w:8.7|

OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2)cc1 |w:8.7|

OC(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)cc1 |w:8.7|

OC(=O)c1ccc2NC(=O)C(=NNc3cccc(c3)C(O)=O)c2c1 |w:11.11|

OC(=O)c1ccc2NC(=O)C(=NNc3ccccc3C(O)=O)c2c1 |w:11.11|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2ccc(Cl)cc2)c1 |w:9.8|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCCc2ccc(Cl)cc2Cl)c1 |w:9.8|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)c(c2)C(F)(F)F)c1 |w:9.8|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(Cl)cc2)c1 |w:9.8|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)c(Cl)c2)c1 |w:9.8|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccc(F)cc2)c1 |w:9.8|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2cccc(Cl)c2)c1 |w:9.8|

OC(=O)c1cccc(NN=C2C(=O)Nc3ccc(cc23)S(=O)(=O)NCc2ccccc2Cl)c1 |w:9.8|

OC(=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)c(c1)C(F)(F)F |w:10.10|

OS([O-])(=O)=c1ccc2[nH+]c(=O)\c(=N/Nc3ccccc3[N+]([O-])=O)c2c1

[O-][N+](=O)c1ccccc1NN=C1C(=O)Nc2ccc(cc12)S(=O)(=O)NCc1ccc(Cl)cc1 |w:10.10|