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97 SMILES Strings for Aldo-keto reductase family member 1B10 (AKR1B10)

Compound NameSMILES String
BDBM4375 OC(=O)\C=C\c1ccc(O)c(O)c1
BDBM4374 OC(=O)\C=C\c1ccc(O)cc1
BDBM13066 OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
BDBM16452 OC(=O)Cc1nn(Cc2nc3cc(ccc3s2)C(F)(F)F)c(=O)c2ccccc12
BDBM16314 COc1ccc2c(cccc2c1C(F)(F)F)C(=S)N(C)CC(O)=O
BDBM16312 Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
BDBM16238 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1F
BDBM17636 OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
BDBM23208 [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
BDBM104020 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1ccc(Br)cc1
BDBM104022 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(F)c(F)c(Br)c(F)c1F
BDBM50029198 Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1O
BDBM50029207 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1O
BDBM50038843 Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r|
BDBM50049730 C\C(\C=C1/SC(=S)N(CC(O)=O)C1=O)=C/c1ccccc1
BDBM50134036 Cc1cccc(Nc2ccccc2C(O)=O)c1C
BDBM50148911 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50175892 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
BDBM50218200 CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:12|
BDBM50233538 CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O |r,t:19|
BDBM50241487 C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
BDBM50327036 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1O)C(O)=O |r|
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
BDBM50337281 OC(=O)c1cccc(Nc2ccc(cc2)[N+]([O-])=O)c1
BDBM50337282 CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)cc1
BDBM50337283 OC(=O)c1cccc(Nc2ccc(cc2)C(F)(F)F)c1
BDBM50337285 OC(=O)c1cccc(Nc2ccc(Br)cc2)c1
BDBM50337286 CC(C)(C)c1ccc(Nc2cccc(c2)C(O)=O)cc1
BDBM50346601 CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
BDBM50362833 Oc1cccc(\C=C\C(=O)OCCc2ccccc2)c1
BDBM50362834 O=C(OCCc1ccccc1)\C=C\c1ccccc1
BDBM50362843 COc1cc(O)ccc1\C=C\C(=O)OCCc1ccc(O)cc1
BDBM50362844 COc1cc(O)ccc1\C=C\C(=O)OCCc1cccc(O)c1
BDBM50362835 COc1cc(O)ccc1\C=C\C(=O)OCCCc1cccc(O)c1
BDBM50362836 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)cc(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]
BDBM50362837 [#6]\[#6](-[#6])=[#6]/[#6]-c1cc(\[#6]=[#6]\[#6](-[#8])=O)ccc1-[#8]
BDBM50362838 O[C@@H]1C[C@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O |r|
BDBM50362839 O[C@H]1[C@@H](C[C@@](O)(C[C@H]1OC(=O)\C=C\c1ccc(O)c(O)c1)C(O)=O)OC(=O)\C=C\c1ccc(O)c(O)c1 |r,wU:2.25,4.22,wD:1.0,7.8,4.4,(-1.06,-23.53,;-1.06,-21.99,;.29,-21.22,;.29,-19.66,;-1.06,-18.89,;.22,-18.03,;-2.39,-19.66,;-2.39,-21.22,;-3.73,-21.99,;-3.73,-23.53,;-2.39,-24.3,;-5.06,-24.3,;-5.06,-25.84,;-6.39,-26.61,;-7.73,-25.84,;-9.06,-26.61,;-9.06,-28.15,;-10.39,-28.92,;-7.72,-28.92,;-7.71,-30.46,;-6.39,-28.15,;-1.91,-17.6,;-.95,-16.4,;-3.45,-17.53,;1.62,-21.99,;1.61,-23.53,;.28,-24.3,;2.95,-24.3,;2.94,-25.84,;4.27,-26.62,;4.26,-28.16,;5.59,-28.93,;6.93,-28.16,;8.26,-28.93,;6.93,-26.61,;8.26,-25.84,;5.6,-25.85,)|
BDBM50362840 COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccc(O)cc1
BDBM50362841 COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1O
BDBM50362842 COc1cc(O)ccc1\C=C\C(=O)OCCCc1ccccc1
BDBM50362845 COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1O
BDBM50362846 COc1cc(O)ccc1\C=C\C(=O)OCCc1ccccc1
BDBM50362847 Oc1ccc(\C=C\C(=O)OCCCc2ccccc2)cc1
BDBM50362848 Oc1cccc(\C=C\C(=O)OCCCc2ccccc2)c1
BDBM50362849 CC(C)OC(=O)\C=C\c1ccc(O)cc1
BDBM50362850 Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
BDBM50362851 Oc1ccc(\C=C\C(=O)OCCc2ccccc2)cc1
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
BDBM50363056 OC(=O)Cn1c2c(CCN(Cc3ccc(cc3)C(F)(F)F)C2=S)c2cc(F)ccc12
BDBM50363057 OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3F)C2=S)c2cc(F)ccc12
BDBM50363058 OC(=O)Cn1c2c(CCN(Cc3ccc(cc3)C(F)(F)F)C2=S)c2ccccc12
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
BDBM50363068 OC(=O)Cn1c2c(CCN(C2=S)c2ccccc2)c2ccccc12
BDBM50363069 OC(=O)Cn1c2c(CCN(CCc3ccccc3)C2=S)c2c(F)cc(F)cc12
BDBM50363070 OC(=O)Cn1c2c(CCN(Cc3ccccc3)C2=S)c2cc(O)ccc12
BDBM50363072 OC(=O)Cn1c2c(CCN(Cc3ccc(Br)cc3F)C2=S)c2ccccc12
BDBM50394657 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
BDBM50385686 CC(=O)c1ccc(Nc2cccc(c2)C(O)=O)c(c1)C(O)=O
BDBM50385688 COc1ccc(Nc2cccc(c2)C(O)=O)c(c1)[N+]([O-])=O
BDBM50442489 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCc1ccccc1
BDBM50442490 COc1ccc(cc1)\N=c1/oc2c(O)cccc2cc1C(=O)Nc1ccccn1
BDBM50442491 COc1ccc(cc1)\N=c1/oc2ccccc2cc1C(=O)Nc1ccccn1
BDBM50442492 COc1ccc(cc1)\N=c1/oc2cccc(O)c2cc1C(=O)Nc1ccccn1
BDBM50442493 COc1ccc(cc1)\N=c1/oc2ccc(O)cc2cc1C(=O)Nc1ccccn1
BDBM50442494 Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccccc3)oc2c1
BDBM50442495 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCCO
BDBM50442496 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCC(C)C
BDBM50442497 CCCCNC(=O)c1cc2ccc(O)cc2o\c1=N/c1ccc(OC)cc1
BDBM50442498 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC1CCCCC1
BDBM50442499 Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442500 Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(Br)cc3)oc2c1
BDBM50442501 Oc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442502 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NCCO
BDBM50442503 OC(=O)Cc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442504 OC(=O)c1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)Nc1ccccn1
BDBM50442505 Oc1ccc2cc(C(=O)Nc3ccccn3)\c(=N\c3ccc(I)cc3)oc2c1
BDBM50442506 COc1ccc(cc1)\N=c1/oc2cc(O)ccc2cc1C(=O)NC(C)C
BDBM50080464 OC(=O)Cn1c2ccccc2c2nnc(S)nc12
BDBM200220 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)cc(Br)cc1Br
BDBM200221 OC(=O)COc1cc(Cl)ccc1C(=O)NCc1c(Br)c(Br)c(Br)c(Br)c1Br
BDBM220122 CC(=O)c1ccc(C(O)=O)c(Nc2ccccc2C(O)=O)c1
BDBM220124 COc1ccc(c(Nc2ccccc2C(O)=O)c1)N(=O)=O
BDBM220115 COC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1