Compound Name

SMILES String

C(=O)(C(=O)O)N

CC(C)c1c(O)c(O)c(C=O)c2c(O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C=O)c2c1O |(-4.44,-1.63,;-5.78,-.86,;-7.11,-1.63,;-5.78,.68,;-7.11,1.45,;-8.44,.68,;-7.11,2.99,;-8.44,3.76,;-5.78,3.76,;-5.78,5.3,;-4.44,6.07,;-4.44,2.99,;-3.11,3.76,;-3.11,5.3,;-1.77,2.99,;-1.77,1.45,;-.44,.68,;-3.11,.68,;-4.44,1.45,;-.44,3.76,;-.44,5.3,;-1.77,6.07,;.89,6.07,;2.23,5.3,;3.56,6.07,;3.56,7.61,;4.89,8.38,;2.23,8.38,;4.89,5.3,;6.23,6.07,;4.89,3.76,;6.23,2.99,;3.56,2.99,;3.56,1.45,;4.89,.68,;2.23,3.76,;.89,2.99,;.89,1.45,)|

COc1cc(COc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)ccc1NC(=O)C(O)=O

OC(=O)C(=O)Nc1ccc(CCOc2cc(O)c3c(c2)oc(cc3=O)C(O)=O)cc1C#N

COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)cc4)cc3o2)cc1

COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(c4)C#N)cc3o2)cc1

COc1ccc(CNC(=O)c2cc(=O)c3c(O)cc(OCCc4ccc(NC(=O)C(O)=O)c(OC)c4)cc3o2)cc1

OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|

CCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

COCCOc1ccc(cc1NC(=O)COc1ccc(cc1)C(C)(C)CC(C)(C)C)C(=O)OC

COC(=O)c1ccc(O)c(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1cccc(NC(=O)C(C)(C)Oc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:29:24:31:28.27.30,29:28:31:25.24.23,THB:23:24:27:31.22.30,23:22:25.24.29:27|

COC(=O)c1cccc(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)NC23CC4CC(CC(O)(C4)C2)C3)cc1 |TLB:27:17:25:22.21.20,16:17:25:22.21.20,THB:22:23:18:27.21.20,22:21:18:25.23.26,27:21:25:17.18.26,24:23:18:27.21.20|

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2cc(ccc2O)C(=O)OCC#C)cc1

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N2CCN(Cc3ccc(cc3)C(F)(F)F)CC2)cc1

CN1CCN(CC1)c1ccc(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)cc1

CCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2ccc(cc2)C(F)(F)F)cc1

COC(=O)c1ccc(OCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1ccc(OC)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1ccc(OCCCN2CCOCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:37:32:39:38.36.35,37:36:39:33.32.31,33:34:38:32.37.31,THB:33:32:38:39.34.35|

COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C2CCCC2)c1

CCCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

CCCCc1ccc(OCC(=O)Nc2cccc(c2)C(=O)OC)cc1

COC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1

CC(C)(C)CC(C)(C)c1ccc(OCC(=O)N2CCN(CC#C)CC2)cc1

COC(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C(F)(F)F)c1

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)[N+]([O-])=O)c1

COC(=O)c1cccc(NC(=O)COc2ccc(cc2)C2CCCCC2)c1

COC(=O)c1ccc(O)c(NC(=O)C(C)(C)Oc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1ccc(OCC#C)c(NC(=O)COc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

COC(=O)c1ccc(OCCN2CCCC2)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:35:30:37:36.34.33,35:34:37:31.30.29,31:32:36:30.35.29,THB:31:30:36:37.32.33|

COC(=O)c1ccc(O)c(NC(=O)COc2ccc(cc2)C23CC4CC(CC(C4)C2)C3)c1 |TLB:18:21:24.23.28:26,THB:22:23:26:30.21.29,22:21:24.23.28:26,29:21:24:28.27.26,29:27:24:30.22.21|

COC(=O)c1cccc(NC(=O)CCOc2ccc(cc2)C(C)(C)CC(C)(C)C)c1

Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1

c1ccc(cc1)C(c2ccccc2)(c3ccccc3Cl)n4ccnc4

Cc1cccc(c1C)Nc2ccccc2C(=O)O

c1cc(c(cc1F)F)C(Cn2cncn2)(Cn3cncn3)O

CC(C)Nc1cccnc1N2CCN(CC2)C(=O)c3cc4cc(ccc4[nH]3)NS(=O)(=O)C

c1cc(c(cc1Cl)Cl)CO[C@@H](Cn2ccnc2)c3ccc(cc3Cl)Cl

c1ccc(cc1)COC(=O)c2ccccc2

COC(=O)C1C(C(C(=O)OCCN(C)Cc2ccccc2)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |c:24,t:21|

COc1ccc(cc1C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)NC3CCCCC3)Cl

Clc1ccc(CSC(Cn2ccnc2)c2ccc(Cl)cc2Cl)cc1

OC(=O)c1cnc2cc(ccc2c1O)[N+]([O-])=O

OC(=O)c1cnc2cc(OCCOc3ccc(Oc4ccccc4)cc3)ccc2c1O

OC(=O)c1cnc2cc(O)ccc2c1O

CC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

OC(=O)c1cnc2cc(OCCc3ccc(Br)cc3)ccc2c1O

OC(=O)c1cnc2cc(OCc3ccc(Oc4ccccc4)cc3)ccc2c1O

NS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

CS(=O)(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

OC(=O)c1cnc2cc(ccc2c1O)S(O)(=O)=O

NC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

OC(=O)c1cnc2cc(F)ccc2c1O

OC(=O)c1cnc2cc(OCCc3ccc4ccccc4c3)ccc2c1O

OC(=O)c1cnc2cc(Cl)ccc2c1O

CN(C)c1ccc2c(O)c(cnc2c1)C(O)=O

OC(=O)c1cnc2cc(OCCc3ccccc3)ccc2c1O

OC(=O)c1cnc2cc(OCCc3ccc(Oc4ccccc4)cc3)ccc2c1O

OC(=O)c1ccc2c(O)c(cnc2c1)C(O)=O

NC(=O)c1csc(n1)[C@H]1O[C@@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@H](O)[C@@H]1O |r|

CC(=O)N1CCN(CC1)c1ccc(OC[C@@H]2CO[C@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1 |r|

NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1

c1cc(ccc1[C@@H](CO)NC(=O)c2cc3cc(c(cc3[nH]2)OC[C@@H]4CNC(=O)O4)Cl)C(=O)O

Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(O)=O

Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)C(C(O)=O)c1cccnc1

Cn1c(cc2c(Cl)c(Cl)ccc12)C(=O)NC1(COC1)c1ccc(cc1)[C@@H](O)c1cccnc1 |r|

Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1nc(-c2cccnc2)nc2c1cnn2C