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91 SMILES Strings for Aldehyde dehydrogenase 3A1 (ALDH3A1)

Compound NameSMILES String
BDBM22841 O=C1N(CN2CCOCC2)c2ccccc2C1=O
BDBM22794 O=C1N(Cc2ccccc2)c2ccccc2C1=O
BDBM47902 O=C1N(C\C=C\c2ccccc2)c2ccccc2C1=O
BDBM47880 O=C1N(CCCc2ccccc2)c2ccccc2C1=O
BDBM62169 Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
BDBM62170 Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
BDBM62312 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(C)cc1
BDBM109227 CS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+]([O-])=O
BDBM109228 CC(C)NS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+]([O-])=O
BDBM109229 CC(C)NS(=O)(=O)c1ccc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c(c1)[N+]([O-])=O
BDBM109230 CC(=O)Nc1ccc(Oc2ccc(cc2[N+]([O-])=O)S(=O)(=O)C(F)(F)F)cc1
BDBM109210 CC(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1
BDBM109211 CNS(=O)(=O)c1ccc(Nc2ccc(F)cc2)c(c1)[N+]([O-])=O
BDBM109215 CN(C)c1ccc(Nc2ccc(cc2[N+]([O-])=O)S(=O)(=O)C(F)(F)F)cc1
BDBM109216 CS(=O)(=O)c1ccc(Nc2ccc(NCC3CCCC3)cc2)c(c1)S(C)(=O)=O
BDBM109218 Cc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1F
BDBM109219 CC(C)NS(=O)(=O)c1ccc(Nc2cccc(NC3CC3)c2)c(c1)[N+]([O-])=O
BDBM109220 CNS(=O)(=O)c1ccc(Nc2ccc(OC)cc2)c(c1)[N+]([O-])=O
BDBM109221 CNS(=O)(=O)c1ccc(Nc2ccc(OC(F)F)cc2)c(c1)[N+]([O-])=O
BDBM109222 CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+]([O-])=O)S(C)(=O)=O)cc1
BDBM109223 CNS(=O)(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c(c1)[N+]([O-])=O
BDBM109224 CCN(CC)S(=O)(=O)c1ccc(Nc2ccc(NC(=O)C(C)C)cc2)c(c1)[N+]([O-])=O
BDBM50133625 Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
BDBM50447056 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(F)cc1
BDBM50447062 Fc1ccc(cc1F)S(=O)(=O)n1cnc2ccccc12
BDBM50447074 CC(C)Cc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
BDBM50447075 CC(=O)Nc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
BDBM50447071 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
BDBM50447072 Fc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
BDBM50447073 Clc1ccc(cc1)S(=O)(=O)n1cnc2ccccc12
BDBM50447076 O=S(=O)(c1ccccc1)n1cnc2ccccc12
BDBM50447057 COc1cc(F)ccc1S(=O)(=O)n1c(C)nc2ccccc12
BDBM50447058 COc1cc(ccc1F)S(=O)(=O)n1c(C)nc2ccccc12
BDBM50447059 COc1cc(ccc1Cl)S(=O)(=O)n1c(C)nc2ccccc12
BDBM50447060 COc1ccc(cc1C)S(=O)(=O)n1c(C)nc2ccccc12
BDBM50447061 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)c(C)c1
BDBM50447063 Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1Br
BDBM50447064 COc1cc(F)ccc1S(=O)(=O)n1cnc2ccccc12
BDBM50447065 Cc1cc2ncn(c2cc1C)S(=O)(=O)c1ccc(F)cc1
BDBM50447066 COc1ccc(cc1)S(=O)(=O)n1cnc2cc(ccc12)[N+]([O-])=O
BDBM50447067 Clc1ccc(cc1)S(=O)(=O)n1c(Cc2ccccc2)nc2ccccc12
BDBM50447068 Clc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc12)C1CCCCC1
BDBM50447069 CC(=O)c1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
BDBM50447070 CC(=O)Nc1ccc(cc1)S(=O)(=O)n1c(C)nc2ccccc12
BDBM50448802 Brc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
BDBM50448803 Clc1ccc2N(CCc3ccccc3)C(=O)C(=O)c2c1
BDBM50448804 O=C1N(CCc2ccccc2)c2ccccc2C1=O
BDBM50448805 Brc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
BDBM50448806 CCCCCN1C(=O)C(=O)c2ccccc12
BDBM50448790 Cc1cc2C(=O)C(=O)Nc2c(Br)c1
BDBM50448791 O=C1N(CN2CCN(CN3C(=O)C(=O)c4ccccc34)C2)c2ccccc2C1=O
BDBM50448792 Brc1ccc2N(CN3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)C(=O)c2c1
BDBM50448793 O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O
BDBM50448794 COc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
BDBM50448795 Clc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
BDBM50448796 Fc1cccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)c1
BDBM50448797 Fc1ccc(CN2CCN(CN3C(=O)C(=O)c4ccccc34)CC2)cc1
BDBM50448798 Fc1ccccc1CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
BDBM50448799 O=C1N(CN2CCN(Cc3ccccc3)CC2)c2ccccc2C1=O
BDBM50448800 CN1CCN(CN2C(=O)C(=O)c3ccccc23)CC1
BDBM50448801 Clc1ccc2N(C\C=C\c3ccccc3)C(=O)C(=O)c2c1
BDBM50076686 Cn1c2nc(SCC(N)=O)n(Cc3ccccc3F)c2c(=O)n(C)c1=O
BDBM223778 Clc1ccc(cc1)S(=O)(=O)n1c(nc2ccccc12)N1CCCCC1
BDBM223444 CC(=O)Nc1ccc(Nc2ccc(cc2[N+](O)=O)S(C)(=O)=O)cc1
BDBM223445 CNS(=O)(=O)c1ccc(Nc2ccc(F)cc2)c(c1)[N+](O)=O
BDBM223446 CN(C)c1ccc(Nc2ccc(cc2[N+](O)=O)S(=O)(=O)C(F)(F)F)cc1
BDBM223447 Cc1ccc(Nc2ccc(cc2[N+](O)=O)S(C)(=O)=O)cc1F
BDBM223448 CC(C)Nc1cccc(Nc2ccc(cc2[N+](O)=O)S(=O)(=O)NC(C)C)c1
BDBM223449 CNS(=O)(=O)c1ccc(Nc2ccc(OC)cc2)c(c1)[N+](O)=O
BDBM223450 CNS(=O)(=O)c1ccc(Nc2ccc(OC(F)F)cc2)c(c1)[N+](O)=O
BDBM223451 CC(C)C(=O)Nc1ccc(Nc2ccc(cc2[N+](O)=O)S(C)(=O)=O)cc1
BDBM223452 CNS(=O)(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c(c1)[N+](O)=O
BDBM223453 CS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+](O)=O
BDBM223454 CC(C)NS(=O)(=O)c1ccc(Nc2ccc3CCCc3c2)c(c1)[N+](O)=O
BDBM223455 CC(C)NS(=O)(=O)c1ccc(NC2CCN(CC(=O)Nc3ccccc3)CC2)c(c1)[N+](O)=O
BDBM223456 CC(=O)Nc1ccc(Oc2ccc(cc2[N+](O)=O)S(=O)(=O)C(F)(F)F)cc1
BDBM223457 CCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
BDBM223458 CCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
BDBM223459 CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccccn2)c2ccccc12
BDBM223460 CCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccncc2)c2ccccc12
BDBM223461 Cc1ccc(cc1)S(=O)(=O)NC(O)C(=O)c1cccs1
BDBM223462 OC(NC(=O)c1cccnc1)C(=O)c1cccs1
BDBM223463 OC(NC(=O)c1ccncc1)C(=O)c1cccs1
BDBM223464 O=C1Nc2ccccc2C11Oc2ccccc2C2CC(=NN12)c1ccccc1 |c:22|
BDBM223465 CCn1c(cs\c1=N\c1ccccc1)-c1ccc(OC)c(F)c1
BDBM223466 CCCC1C(C#N)=C(NC(C)=C1C(C)=O)SCC(=O)c1ccc(Br)cc1 |c:6,10|
BDBM223467 Cc1cccc(c1)C(=O)CN1CCN(CC1)S(=O)(=O)c1cc(Cl)ccc1Cl
BDBM223468 Clc1ccc(OCCCCSC#N)cc1
BDBM223469 O[N+](=O)c1ccccc1CNc1ccc(F)c(F)c1
BDBM223470 CCN(CC)CCC(=O)c1ccc2OCOc2c1
BDBM223471 O=C(CCN1CCOCC1)c1ccc2OCCOc2c1