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130 SMILES Strings for Aldehyde dehydrogenase (ALDH2)

Compound NameSMILES String
BDBM153690 Fc1ccc(F)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
BDBM153691 Cc1cc(CNC(=O)c2c(Cl)cccc2Cl)ccc1-c1cc[nH]c(=O)c1
BDBM153692 Cn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM153693 Fc1cccc(F)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153694 Fc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153695 Fc1cc(ccc1CNC(=O)c1c(Cl)cccc1Cl)-c1cc[nH]c(=O)c1
BDBM153696 Fc1c[nH]c(=O)cc1-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM153697 OP(O)(=O)OCn1ccc(cc1=O)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM153684 COCCOc1cc(Cl)c(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c(Cl)c1
BDBM153685 Clc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153686 Fc1cccc(C(=O)NCc2ccc(cc2)-c2cc[nH]c(=O)c2)c1Cl
BDBM153687 Cc1cccc(Cl)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153688 Cc1cccc(C)c1C(=O)NCc1ccc(cc1)-c1cc[nH]c(=O)c1
BDBM153689 Cc1cc(cc(=O)[nH]1)-c1ccc(CNC(=O)c2c(Cl)cccc2Cl)cc1
BDBM23420 Oc1ccc(cc1)-c1coc2cc(O)ccc2c1=O
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
BDBM65735 CCCCn1c(CN2CCN(CC2)c2cccc(Cl)c2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM118193 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CC1
BDBM118194 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccc1
BDBM118195 CC(C)(O)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118196 Cn1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
BDBM118197 COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118198 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCCC1
BDBM118199 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(N)CCCCC1
BDBM118200 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1ccccn1
BDBM118201 OC1(CCCC1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
BDBM118202 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cncnc1
BDBM118203 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cccnc1
BDBM118204 COCC#Cc1ccc2c(c1)occ(-c1ccc(NS(=O)(=O)C3CC3)cc1)c2=O
BDBM118205 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1(O)CCCC1
BDBM118206 CC(C)(C)OC(=O)N1CCC(CC1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118207 CC(C)(C)OC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118208 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#Cc1cc[nH]c(=O)c1
BDBM118209 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1
BDBM118210 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCNCC1
BDBM118211 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCN(CC1)C(=O)C1CC1
BDBM118212 Cc1ncc(C#Cc2ccc3c(c2)occ(-c2ccc(NS(C)(=O)=O)cc2)c3=O)n1C
BDBM118213 CC(C)n1cncc1C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118214 Cn1cnc(c1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118215 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CNC1
BDBM118216 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)OC1CCCC1
BDBM118217 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CCOCC1
BDBM118218 CC(C)CN1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(CNS(=O)=O)cc1)c2=O
BDBM118219 COCCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118220 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC(F)(F)C1
BDBM118221 CN(C)CCC(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118222 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)CO
BDBM118223 CC1(O)CC(C1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O |(-6.69,8.43,;-5.89,7.12,;-5.08,8.43,;-6.98,6.03,;-5.89,4.94,;-4.8,6.03,;-5.89,3.4,;-7.22,2.63,;-4.55,2.63,;-4.15,1.14,;-2.67,1.54,;-3.07,3.03,;-1.33,.77,;;1.33,-.77,;1.33,-2.31,;2.67,-3.08,;4,-2.31,;4,-.77,;2.67,,;5.33,,;6.67,-.77,;6.67,-2.31,;8,-3.08,;8,-4.62,;9.34,-5.39,;10.67,-4.62,;12,-5.39,;13.34,-4.62,;14.67,-3.85,;12.57,-3.29,;14.11,-5.95,;10.67,-3.08,;9.34,-2.31,;5.33,-3.08,;5.33,-4.62,)|
BDBM118224 CC(C)(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118225 CC1(COC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118226 CC(O)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118227 CN1CCC(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118228 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CC1(F)F
BDBM118229 CS(=O)(=O)Nc1ccc(cc1)-c1coc2cc(ccc2c1=O)C#CC1CN(C1)C(=O)C1CCC1
BDBM118230 CC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118231 CC(C)(C)OC(=O)NC1(CCC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118232 CC(C)(C)OC(=O)NC1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM118233 CN(C(=O)OC(C)(C)C)C1(CC1)C(=O)N1CC(C1)C#Cc1ccc2c(c1)occ(-c1ccc(NS(C)(=O)=O)cc1)c2=O
BDBM50042986 Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
BDBM50093528 OCC(O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50093529 Oc1ccc(cc1)-c1coc2cc(OCCCCBr)ccc2c1=O
BDBM50093530 Oc1ccc(cc1)-c1coc2cc(OCCCBr)ccc2c1=O
BDBM50093531 OC(=O)CCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50093532 Oc1ccc(cc1)-c1coc2cc(OCCCCCCBr)ccc2c1=O
BDBM50093533 Oc1ccc(cc1)-c1coc2cc(OCCC3OCCCO3)ccc2c1=O
BDBM50093534 OC(=O)CCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50093535 OC(=O)CCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50093536 Oc1ccc(cc1)-c1coc2cc(OCC=C)ccc2c1=O
BDBM50093537 OC(=O)CCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50093538 CCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104891 Oc1ccc2c(cc(=O)oc2c1)-c1ccccc1
BDBM50104892 OC(=O)CCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104893 CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC
BDBM50104894 CCOC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104896 OCCOCCOCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104897 CCCCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(=O)OCC
BDBM50104898 CCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104899 CCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O
BDBM50104900 OC(=O)CCCCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104901 OC(=O)CCCCCOc1ccc2c(c1)oc(cc2=O)-c1ccc(O)cc1
BDBM50104895 CC1=C(C(=O)OC2CC(Cl)CCC12)c1ccccc1 |t:1|
BDBM50104903 CCCCCCC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O
BDBM50104902 Cc1ccc2C(CC(=O)Oc2c1)c1ccccc1
BDBM50104873 CC(Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O)C(O)=O
BDBM50104874 CC(C)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104875 CCOC(=O)CCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104876 OCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104877 NCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104878 NCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104879 OC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104880 OCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104881 CCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104882 OCCCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104884 CCOC(=O)COc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104885 OCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104886 OC(=O)CCCCCCCCCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104888 OC(=O)CCCCOc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50104889 Oc1ccc(cc1)-c1coc2cc(OCCCCC=C)ccc2c1=O
BDBM50104890 CCOC(=O)C(C)Oc1ccc2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50133625 Clc1ccc2N(Cc3ccccc3)C(=O)C(=O)c2c1
BDBM50359990 COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
BDBM50409029 OC[C@H]1O[C@@H](Oc2ccc3c(c2)occ(-c2ccc(O)cc2)c3=O)[C@H](O)[C@@H](O)[C@@H]1O |r|
BDBM50409313 COc1ccc(cc1)-c1coc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc2c1=O |r|
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
BDBM50448792 Brc1ccc2N(CN3CCN(Cc4ccc5OCOc5c4)CC3)C(=O)C(=O)c2c1
BDBM50448793 O=C1N(CN2CCN(Cc3ccc4OCOc4c3)CC2)c2ccccc2C1=O
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
BDBM50076552 CC(C)CCn1c(CN(C)Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076553 CC(C)CCn1c(CN2CCOCC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM50076740 Cn1c2nc(CN3CCC(CC3)C(N)=O)n(CCCc3ccccc3)c2c(=O)n(C)c1=O
BDBM50076551 CC(C)CCn1c(CN2CCC(C)CC2)nc2n(C)c(=O)n(C)c(=O)c12
BDBM223457 CCCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
BDBM223458 CCSc1nnc-2c(OC(Nc3ccccc-23)C(=O)c2ccc(OC)cc2)n1
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|