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114 SMILES Strings for Aldehyde reductase

Compound NameSMILES String
BDBM7460 Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
BDBM16452 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM16463 OC(=O)Cn1cc(Cc2nc3c(F)cccc3s2)c2ccccc12
BDBM16464 OC(=O)Cn1cc(Cc2nc3cc(F)ccc3s2)c2ccccc12
BDBM16465 OC(=O)Cn1cc(Cc2nc3ccc(F)cc3s2)c2ccccc12
BDBM16466 OC(=O)Cn1cc(Cc2nc3cccc(F)c3s2)c2ccccc12
BDBM16467 OC(=O)Cn1cc(Cc2nc3cc(F)c(F)cc3s2)c2ccccc12
BDBM16468 OC(=O)Cn1cc(Cc2nc3c(F)cc(F)cc3s2)c2ccccc12
BDBM16469 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16470 Cc1c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc2n1CC(O)=O
BDBM16471 OC(=O)Cn1c(c(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12)-c1ccccc1
BDBM16472 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2c(Cl)cccc12
BDBM16473 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Cl)ccc12
BDBM16474 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(F)ccc12
BDBM16475 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Br)ccc12
BDBM16476 Cc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
BDBM16477 COc1ccc2n(CC(O)=O)cc(Cc3nc4c(F)c(F)cc(F)c4s3)c2c1
BDBM16478 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(OCc3ccccc3)ccc12
BDBM16479 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(Oc3ccccc3)ccc12
BDBM16480 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)-c1ccccc1
BDBM16481 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cc(ccc12)N1CCOCC1
BDBM16482 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(F)cc12
BDBM16483 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(Cl)cc12
BDBM16484 Cc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
BDBM16485 COc1ccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c2c1
BDBM16486 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)-c1ccccc1
BDBM16487 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccc(cc12)N1CCOCC1
BDBM16488 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(F)c12
BDBM16489 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Cl)c12
BDBM16490 OC(=O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2cccc(Br)c12
BDBM16491 Cc1cccc2c(Cc3nc4c(F)c(F)cc(F)c4s3)cn(CC(O)=O)c12
BDBM16493 OC(=O)Cn1cc(CCc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16494 OC(=O)CCn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16495 CC(C(O)=O)n1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc12
BDBM16496 OC(=O)Cn1c2cc(Cl)ccc2c(=O)n(Cc2ccc(Br)cc2F)c1=O
BDBM16458 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccccc12
BDBM16459 Cc1ccc2n(CC(O)=O)cc(Cc3nc4cc(ccc4s3)C(F)(F)F)c2c1
BDBM16460 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2cc(Cl)ccc12
BDBM16461 OC(=O)Cn1cc(Cc2nc3cc(ccc3s2)C(F)(F)F)c2ccc(Br)cc12
BDBM16462 OC(=O)Cn1cc(Cc2nc3ccc(Cl)cc3s2)c2ccccc12
BDBM16313 OC(=O)COc1cc(F)ccc1C(=S)NCc1ccc(Br)cc1F
BDBM16314 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
BDBM16312 Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
BDBM16512 NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1 |r|
BDBM26269 OC(=O)c1cc(Cl)cc(Cl)c1O
BDBM50003616 CCCC(CCC)C(O)=O
BDBM50009834 CCCC(CCC)C([O-])=O
BDBM50009832 CCOC(=O)C1CN(Cc2ccccc2)C(=O)C1=O
BDBM50009839 CC1(CC(=O)c2ccccc2C1=O)S([O-])(=O)=O
BDBM50009777 OC(=O)Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12
BDBM50009844 Fc1ccc2-c3ccccc3C3(NC(=O)NC3=O)c2c1
BDBM50038843 Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r|
BDBM50049729 OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
BDBM50049730 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
BDBM50056525 OC(=O)CN1C(=O)N(Cc2cccc(c2)[N+]([O-])=O)C(=C)C1=O
BDBM50056526 OC(=O)Cn1ccc(=O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
BDBM50056527 OC(=O)Cn1ccc(=O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
BDBM50056528 OC(=O)Cn1c(O)c(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
BDBM50056529 OC(=O)Cn1cc(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
BDBM50056530 OC(=O)Cn1c(=O)ccn(Cc2cccc(c2)[N+]([O-])=O)c1=O
BDBM50056531 OC(=O)CN1C(=O)N(Cc2nc3c(Cl)cccc3s2)C(=O)C1=O
BDBM50056532 OC(=O)CN1C(=S)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
BDBM50056533 OC(=O)Cn1cc(O)n(Cc2ccc(Cl)c(c2)[N+]([O-])=O)c1=O
BDBM50056534 OC(=O)Cn1ccc(=O)n(Cc2nc3c(Cl)cccc3s2)c1=O
BDBM50056535 OC(=O)CN1C(=O)N(Cc2ccc(Cl)c(c2)[N+]([O-])=O)C(=O)C1=O
BDBM50056536 OC(=O)Cn1c(O)cn(Cc2cccc(c2)[N+]([O-])=O)c1=O
BDBM50056537 OC(=O)Cn1c(=O)cc(O)n(Cc2cccc(c2)[N+]([O-])=O)c1=O
BDBM50056538 OC(=O)Cn1ccc(=O)n(Cc2nc3cc(Cl)ccc3s2)c1=O
BDBM50056539 OC(=O)Cn1cc(O)n(Cc2nc3c(Cl)cccc3s2)c1=O
BDBM50056540 OC(=O)CN1C(=O)N(Cc2nc3cc(Cl)ccc3s2)C(=O)C1=O
BDBM50056541 OC(=O)CN1C(=C)N(Cc2cccc(c2)[N+]([O-])=O)C(=O)C1=O
BDBM50054320 OC(=O)Cn1nc-2c(CCc3ccccc-23)cc1=O
BDBM50054324 OC(=O)Cn1nc-2c(Cc3ccccc-23)cc1=O
BDBM50054316 OC(=O)Cn1nc2-c3ccccc3Cc2c(C(O)=O)c1=O
BDBM50054319 Cc1cc(C)c2CCc3cc(=O)n(CCC(O)=O)nc3-c2c1
BDBM50054321 Cc1cc(C)c2CCc3cc(=O)n(CC(O)=O)nc3-c2c1
BDBM50054328 OC(=O)CCCn1nc-2c(CCc3ccccc-23)cc1=O
BDBM50054329 OC(=O)Cn1nc-2c(CCc3ccccc-23)c(C(O)=O)c1=O
BDBM50089423 NC(=O)[C@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
BDBM50126791 Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3ccccc23)cc1
BDBM50126774 OC(=O)C(C#N)C1C(=O)Nc2ccc(F)cc12
BDBM50126777 OC(=O)C(C#N)C1C(=O)N(Cc2ccc(F)cc2)c2ccc(F)cc12
BDBM50126780 Cc1ccc(CN2C(=O)C(C(C#N)C(O)=O)c3cc(F)ccc23)cc1
BDBM50213307 COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1OCC(O)=O
BDBM50251024 Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1F
BDBM50251030 COc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50251023 Oc1c(F)cc(NS(=O)(=O)c2ccccc2)cc1F
BDBM50251025 Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50321718 COc1ccc(\N=c2/oc3cc(O)ccc3cc2C(=O)Nc2ccccn2)c(OC)c1
BDBM50321715 COc1ccc(OC)c(c1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50321716 COc1ccc(cc1OC)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1cccc(C)n1
BDBM50321717 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50312535 COc1ccc(\C=C2/SC(=O)N(CC(O)=O)C2=O)cc1O
BDBM50330608 Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)C(F)(F)F)cc1F
BDBM50330609 Oc1c(F)cc(NS(=O)(=O)c2ccc(cc2)N2CCCC2)cc1F
BDBM50330610 Oc1c(F)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1F
BDBM50330611 COc1ccc(cc1)C(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50330612 CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1
BDBM50330613 Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1
BDBM50330614 Oc1c(F)cc(cc1F)N(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
BDBM50330615 Nc1ccc(cc1)S(=O)(=O)N(Cc1ccc(Br)cc1F)c1cc(F)c(O)c(F)c1
BDBM50330616 Oc1c(F)cc(cc1F)N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1
BDBM50363053 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(ccc12)C(O)=O
BDBM50363054 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2ccccc12
BDBM50363055 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(F)ccc12
BDBM50363059 OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3)C2=S)c2ccccc12
BDBM50363060 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(Br)ccc12
BDBM50363061 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2ccc(Cl)cc12
BDBM50363062 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(Cl)ccc12
BDBM50363063 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(I)ccc12
BDBM50363064 COc1ccc2n(CC(O)=O)c3c(CCN(Cc4ccccc4)C3=S)c2c1
BDBM50363065 CC(C)c1ccc2n(CC(O)=O)c3c(CCN(Cc4ccccc4)C3=S)c2c1
BDBM50363066 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(Cl)cc(Cl)cc12
BDBM50363067 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2c(F)cc(F)cc12