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303 SMILES Strings for Lactate dehydrogenase A (LDHA)

Compound NameSMILES String
BDBM11273 COc1cccc(c1)-c1nc(SCC(=O)Nc2ccc(cc2)S(N)(=O)=O)[nH]c(=O)c1C#N
BDBM23222 NC(=O)C(O)=O
BDBM23223 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,)|
BDBM23242 OC(=O)c1co[nH]c1=O
BDBM23251 OC(=O)c1ns[nH]c1=O
BDBM86113 NC(=O)C1=CN(C=CC1)[C@H]1O[C@@H](COP([O-])([O-])=O)[C@H](O)[C@@H]1O |r,c:6,t:3|
BDBM86114 NC(=O)C1=CN(CCC1)[C@@H]1OC(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,t:3|
BDBM50010438 CC(C)c1c(O)c(O)c(C#N)c2c(OC(C)=O)c(c(C)cc12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(C)=O |(.71,-9.15,;2.04,-8.36,;3.37,-9.15,;2.04,-6.82,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;4.67,-3.74,;4.67,-2.2,;6,-1.42,;7.33,-2.18,;5.98,.12,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;9.99,-3.74,;9.99,-2.2,;8.89,-1.1,;7.4,-1.49,;9.29,.39,)|
BDBM50010444 CCCCC(=O)Oc1c(c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c12)-c1c(C)cc2c(C(C)C)c(O)c(O)c(C#N)c2c1OC(=O)CCCC |(8.66,3.2,;7.33,2.42,;7.33,.88,;6,.11,;6,-1.43,;7.33,-2.2,;4.67,-2.2,;4.67,-3.74,;6,-4.51,;6,-6.07,;6,-7.17,;4.67,-6.82,;3.37,-6.07,;2.04,-6.82,;2.04,-8.36,;.71,-9.15,;3.37,-9.15,;.71,-6.07,;-.65,-6.84,;.71,-4.51,;-.65,-3.72,;2.04,-3.74,;2.04,-2.2,;2.04,-.66,;3.37,-4.51,;8.66,-4.51,;8.66,-6.07,;8.68,-7.17,;9.99,-6.82,;11.29,-6.07,;12.61,-6.82,;12.61,-8.36,;13.96,-9.15,;11.29,-9.15,;13.96,-6.07,;15.31,-6.84,;13.96,-4.51,;15.31,-3.72,;12.61,-3.74,;12.61,-2.2,;12.61,-.66,;11.29,-4.51,;9.99,-3.74,;9.99,-2.2,;9.2,-.86,;7.66,-.86,;9.97,.48,;9.19,1.81,;9.95,3.14,;9.18,4.47,)|
BDBM50010448 CC(C)c1c(O)c(O)c2C(=N)Oc3c(c(C)cc1c23)-c1c2OC(=N)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
BDBM50010449 CC(C)c1c(O)c(O)c2C(=O)Oc3c(c(C)cc1c23)-c1c2OC(=O)c3c(O)c(O)c(C(C)C)c(cc1C)c23 |(17.54,-15.98,;16.19,-15.21,;14.86,-15.98,;16.19,-13.65,;17.54,-12.91,;18.85,-13.69,;17.54,-11.35,;18.85,-10.58,;16.19,-10.58,;16.18,-9.03,;17.26,-7.93,;13.55,-9.03,;13.55,-10.58,;12.21,-11.35,;12.21,-12.91,;12.24,-14.01,;13.55,-13.65,;14.86,-12.91,;14.86,-11.35,;9.55,-11.35,;8.21,-10.58,;8.21,-9.03,;5.59,-9.03,;4.5,-7.93,;5.59,-10.58,;4.26,-11.35,;2.92,-10.58,;4.26,-12.91,;2.92,-13.69,;5.59,-13.65,;5.59,-15.21,;6.92,-15.98,;4.26,-15.98,;6.92,-12.91,;8.21,-13.65,;9.55,-12.91,;9.55,-14.01,;6.92,-11.35,)|
BDBM50031638 CC(C)c1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
BDBM50066980 Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1C
BDBM50066981 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
BDBM50066973 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccc(cc3)C(F)(F)F)c(C)cc12
BDBM50066974 CCCc1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
BDBM50066975 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(Cc3ccccc3)c(C)cc12
BDBM50066976 Cc1cc2c(C)c(O)c(O)c(C(O)=O)c2cc1Cc1ccccc1
BDBM50066977 CCCc1c(O)c(O)c(C(O)=O)c2ccc(C)cc12
BDBM50066978 Cc1ccc2c(C(O)=O)c(O)c(O)c(C)c2c1
BDBM50066979 CCCc1c(O)c(O)c(C(O)=O)c2cc(C)c(C)cc12
BDBM50192453 Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]1O
BDBM50219487 OC(=O)c1ccc2ccccc2c1O
BDBM50339605 OC(=O)c1cc2cc(ccc2n1O)-c1ccccc1
BDBM50339606 OC(=O)c1cc2ccc(cc2n1O)-c1ccccc1
BDBM50339607 OC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F
BDBM50368954 NC(=O)c1cncc(c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
BDBM50425792 COC(=O)c1ccc(SCC(=O)Nc2cc(Cl)c(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc3cc(F)cc(c3)-c3ccc(cn3)C(=O)OC)cc2OC)nc1 |r|
BDBM50425795 COc1cc(OC[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r|
BDBM50425796 COc1cc(OCCCNC(=O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
BDBM50425797 COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r|
BDBM50425798 COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)COc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r|
BDBM50425799 COc1cc(OCCCOCCCOc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
BDBM50425800 COc1cc(OCC(O)CO)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
BDBM50425801 COc1ccc(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O
BDBM50425802 Nc1cc(F)cc(c1)-c1ccc(cn1)C(O)=O
BDBM50425803 OC(=O)COc1cc(F)cc(c1)-c1ccc(cn1)C(O)=O
BDBM50425804 OC(=O)c1ccc(nc1)-c1ccccc1
BDBM50425805 Cc1cc(ncc1C(O)=O)-c1ccccc1
BDBM50425793 COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccccn2)c(Cl)cc1NC(=O)CSc1ccc(cn1)C(O)=O |r|
BDBM50425794 COc1cc(OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CNc2cc(F)cc(c2)-c2ccc(cn2)C(O)=O)c(Cl)cc1NC(=O)CSc1ccccn1 |r|
BDBM50433830 CCc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
BDBM50433831 COc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
BDBM50433832 Cc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
BDBM50433833 CC(C)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433834 Clc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433835 CNS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433836 NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433837 CC(Sc1ncc(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433838 CC(Sc1nc(cc(=O)[nH]1)-c1ccccc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433839 CCC(Sc1nc(-c2cccc(OC)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433840 CCC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433841 CC(Sc1nc(-c2ccc(Cl)c(F)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433842 CC(Sc1nc(-c2ccc(Cl)c(Cl)c2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433843 CC(Sc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1)C(=O)Nc1ccc(cc1)S(N)(=O)=O
BDBM50433845 NS(=O)(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)cc1
BDBM50433846 Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1C
BDBM50433847 COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
BDBM50433848 Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
BDBM50433849 Fc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)cc1Cl
BDBM50433850 Cc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c(C#N)c(=O)[nH]2)c1C
BDBM50433851 Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)c(C#N)c(=O)[nH]1
BDBM50433852 Clc1ccc(cc1)-c1nc(SCC(=O)Nc2cccc(Cl)c2)[nH]c(=O)c1C#N
BDBM50441105 C[C@@H](Nc1nc(c(C)nc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441106 C[C@@H](Nc1nc(cnc1NS(C)(=O)=O)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441107 C[C@@H](Nc1nc(cnc1NC(C)=O)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441108 CNc1ncc(nc1N[C@H](C)c1ccccc1)-c1cccc(c1)C(O)=O |r|
BDBM50441109 C[C@@H](Nc1nc(c[nH]c1=O)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441110 C[C@@H](Nc1cncc(n1)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441111 C[C@@H](Nc1cc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441112 Nc1ncc(nc1NCC1CCCC1)-c1cccc(c1)C(O)=O
BDBM50441113 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)C1CCCCC1 |r|
BDBM50441114 C[C@@H](Oc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441115 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccc(Cl)cc1 |r|
BDBM50441116 Nc1ncc(nc1NCc1ccccc1)-c1cccc(c1)C(O)=O
BDBM50441117 C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1Cl)C(O)=O)c1ccccc1 |r|
BDBM50441118 COc1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O |r|
BDBM50441119 CC(C)c1ccc(cc1-c1cnc(N)c(N[C@H](C)c2ccccc2)n1)C(O)=O |r|
BDBM50441120 C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccccc1 |r|
BDBM50441121 C[C@@H](Nc1nc(cnc1N)-c1cc(C)cc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441122 C[C@@H](Nc1nc(cnc1N)-c1ccc(C)c(c1)C(O)=O)c1ccccc1 |r|
BDBM50441123 C[C@@H](Nc1nc(cnc1N)-c1cccc(C(O)=O)c1C)c1ccccc1 |r|
BDBM50441124 C[C@@H](Nc1nc(cnc1N)-c1csc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441125 C[C@@H](Nc1nc(cnc1N)-n1cc(cn1)C(O)=O)c1ccccc1 |r|
BDBM50441126 C[C@@H](Nc1nc(cnc1N)-c1ccc(C(O)=O)c(O)c1)c1ccccc1 |r|
BDBM50441127 C[C@@H](Nc1nc(cnc1N)-c1ccc(cc1)C(O)=O)c1ccccc1 |r|
BDBM50441128 C[C@@H](Nc1nc(cnc1N)-c1ccccc1C(O)=O)c1ccccc1 |r|
BDBM50441129 C[C@@H](Nc1nc(cnc1N)-c1ccnc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441130 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(=O)NS(C)(=O)=O)c1ccccc1 |r|
BDBM50441131 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(N)=O)c1ccccc1 |r|
BDBM50441132 C[C@@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441133 C[C@@H](Nc1nc(ccc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441134 COCCNc1nc(cnc1N)-c1cccc(c1)C(O)=O
BDBM50441135 C[C@@H](N(C)c1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441136 C[C@H](Nc1nc(cnc1N)-c1cccc(c1)C(O)=O)c1ccccc1 |r|
BDBM50441137 CCOC(=O)c1cccc(c1)-c1cnc(N)c(N[C@H](C)c2ccccc2)n1 |r|
BDBM50441138 C[C@@H](Nc1nc(cnc1N)-c1cc(ccc1C)C(O)=O)c1ccc(Cl)cc1 |r|
BDBM50052301 Cc1ccnc(SC2=C(O)CC(CC2=O)c2ccccc2)n1 |c:7|
BDBM50052304 Cc1cc(C)nc(SC2=C(O)CC(CC2=O)c2ccccc2)n1 |c:8|
BDBM50052305 Cc1cnc(SC2=C(O)CC(CC2=O)c2ccccc2)nc1O |c:6|
BDBM50052284 Cc1cc(C)c(nc1SC1=C(O)CC(CC1=O)c1ccccc1)C#N |c:10|
BDBM50052285 OC1=C(Sc2cccs2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052287 OC1=C(Sc2nccs2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052290 OC1=C(Sc2ncc[nH]2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052291 OC1=C(Sc2nncs2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052297 Nc1nnc(SC2=C(O)CC(CC2=O)c2ccccc2)s1 |c:6|
BDBM50052299 CSc1nnc(SC2=C(O)CC(CC2=O)c2ccccc2)s1 |c:7|
BDBM50052307 Nc1cc(N)nc(SC2=C(O)CC(CC2=O)c2ccccc2)n1 |c:8|
BDBM50052313 OC1=C(Sc2nc(O)cc(n2)C(F)(F)F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052319 OC1=C(Sc2nc3ccccc3s2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052322 OC1=C(Sc2nc3ccccc3o2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052325 OC1=C(Sc2nc3ccc(Cl)cc3[nH]2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052326 Cc1ccc2nc(SC3=C(O)CC(CC3=O)c3ccccc3)[nH]c2c1 |c:8|
BDBM50052329 Nc1ccc2nc(SC3=C(O)CC(CC3=O)c3ccccc3)[nH]c2c1 |c:8|
BDBM50052331 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(Br)c1Cl |c:1|
BDBM50089927 COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:9|
BDBM50089938 OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:11|
BDBM50052332 Cc1cccc(Cl)c1SC1=C(O)CC(CC1=O)c1ccccc1 |c:10|
BDBM50052335 Cc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)c(C)c1 |c:6|
BDBM50052381 Cc1ccc(C)c(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:8|
BDBM50052392 COc1ccc(OC)c(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:10|
BDBM50052399 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Br)cccc1Br |c:1|
BDBM50052400 Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1 |t:12|
BDBM50052402 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1Cl |c:1|
BDBM50052403 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1cccc(Cl)c1 |c:1|
BDBM50052404 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccc(Cl)cc1 |c:1|
BDBM50052405 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F |c:1|
BDBM50052406 Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2C#N)C(=O)C1 |t:12|
BDBM50052407 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Br)cccc1Br |c:1|
BDBM50052416 CC(C)C(C)SC1=C(O)CC(CC1=O)c1ccccc1 |c:6|
BDBM50052419 CC(C)SC1=C(O)CC(CC1=O)c1ccccc1 |c:4|
BDBM50052421 OCCSC1=C(O)CC(CC1=O)c1ccccc1 |c:4|
BDBM50052430 OC1=C(Sc2ccccc2F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052432 Cc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:9|
BDBM50052433 OC1=C(Sc2ccccc2C(F)(F)F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052434 CCc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:10|
BDBM50052435 OCc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:10|
BDBM50052436 OC1=C(Sc2ccccc2O)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052489 COc1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:10|
BDBM50052490 OC(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:11|
BDBM50052491 COC(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:12|
BDBM50052493 CS(=O)(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:12|
BDBM50052494 OC1=C(Sc2cccc(F)c2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052496 OC1=C(Sc2cccc(Br)c2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052497 Cc1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:7|
BDBM50052499 COc1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:8|
BDBM50052500 OC1=C(Sc2cccc(OC(F)(F)F)c2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052505 OC1=C(Sc2ccc(Cl)cc2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052506 OC1=C(Sc2ccc(Br)cc2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052507 Cc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:6|
BDBM50052508 CCc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:7|
BDBM50052550 OC1=C(Sc2ccc(cc2)C(F)(F)F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052568 OC1=C(Sc2ccc(O)cc2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052576 COc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:7|
BDBM50052577 OC(=O)c1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:8|
BDBM50052578 CSc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:7|
BDBM50052579 Nc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:6|
BDBM50052580 CC(=O)Nc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:9|
BDBM50052581 OC1=C(Sc2ccc(Cl)c(Cl)c2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052583 Cc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1C |c:6|
BDBM50052584 OC1=C(Sc2cc(Cl)cc(Cl)c2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052586 OC1=C(Sc2ccc(F)cc2F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052587 OC1=C(Sc2cccc(Cl)c2F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052638 OC1=C(Sc2cc(Cl)ccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052639 OC1=C(Sc2c(Cl)cccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50040034 OC1=C(Oc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |c:1|
BDBM50040041 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1c(Cl)cccc1Cl |c:1|
BDBM50040044 Cn1ccc(n1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:10|
BDBM50040045 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cncnc1 |c:1|
BDBM50040081 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccncc1 |c:1|
BDBM50040083 CC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:4|
BDBM50040086 OC(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:6|
BDBM50040092 OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCCc3ccccc23)C1 |c:1|
BDBM50040094 OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3Br)C1 |c:1|
BDBM50052246 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|
BDBM50052247 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1|
BDBM50052248 OC1=C(Sc2ccccc2[N+]([O-])=O)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052249 OC1=C(Sc2ccccc2C#N)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052251 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1cccc(Cl)c1 |c:1|
BDBM50052252 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccc(Cl)cc1 |c:1|
BDBM50052254 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|
BDBM50052257 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1Cl |c:1|
BDBM50052259 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1C(F)(F)F |c:1|
BDBM50052260 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(F)cccc1F |c:1|
BDBM50052262 COC(=O)CCSC1=C(O)CC(CC1=O)c1ccccc1 |c:7|
BDBM50052263 OC1=C(SCc2ccccc2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052264 Cc1ccccc1CSC1=C(O)CC(CC1=O)c1ccccc1 |c:10|
BDBM50052265 OC1=C(SCc2cccc(c2)C(F)(F)F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052266 Cc1cccc(CSC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:8|
BDBM50052267 OC1=C(SCc2ccc(F)cc2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052268 Cc1ccc(CSC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:7|
BDBM50052269 COc1ccc(CSC2=C(O)CC(CC2=O)c2ccccc2)cc1 |c:8|
BDBM50052270 OC1=C(SCc2ccc(Cl)cc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052271 OC1=C(Sc2cccc3ccccc23)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052272 OC1=C(Sc2ccc3ccccc3c2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052273 OC1=C(Sc2ccccn2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052288 Cc1csc(SC2=C(O)CC(CC2=O)c2ccccc2)n1 |c:6|
BDBM50052292 Cc1nnc(SC2=C(O)CC(CC2=O)c2ccccc2)s1 |c:6|
BDBM50052306 CCOC(=O)c1cnc(SC2=C(O)CC(CC2=O)c2ccccc2)nc1N |c:10|
BDBM50052334 OC1=C(Sc2ccc(F)cc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052387 Cc1cccc(C)c1SC1=C(O)CC(CC1=O)c1ccccc1 |c:10|
BDBM50052401 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(cccc1C(F)(F)F)C(F)(F)F |c:1|
BDBM50052415 OC1=C(SC2CCCCC2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052420 CCC(C)CSC1=C(O)CC(CC1=O)c1ccccc1 |c:6|
BDBM50052426 OC1=C(Sc2ccccc2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052431 OC1=C(Sc2ccccc2Br)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052492 NC(=O)c1ccccc1SC1=C(O)CC(CC1=O)c1ccccc1 |c:11|
BDBM50052495 OC1=C(Sc2cccc(Cl)c2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052501 Nc1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:7|
BDBM50052503 NS(=O)(=O)c1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:10|
BDBM50052504 OC1=C(Sc2ccc(F)cc2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052582 COc1ccc(SC2=C(O)CC(CC2=O)c2ccccc2)cc1OC |c:7|
BDBM50052637 OC1=C(Sc2cccc(Cl)c2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052250 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1Cl |c:1|
BDBM50052253 COc1ccc(cc1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)C1 |t:12|
BDBM50052258 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Br |c:1|
BDBM50052261 COC(=O)CSC1=C(O)CC(CC1=O)c1ccccc1 |c:6|
BDBM50052300 OC1=C(Sc2ncccn2)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052498 OC1=C(Sc2cccc(c2)C(F)(F)F)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50052502 NC(=O)c1cccc(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:9|
BDBM50052585 Cc1cc(C)cc(SC2=C(O)CC(CC2=O)c2ccccc2)c1 |c:8|
BDBM50040027 CCOc1cccc(c1)C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:13|
BDBM50040031 OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |c:1|
BDBM50040032 OC1=C(Oc2ccccc2Cl)C(=O)OC(C1)c1ccccc1 |c:1|
BDBM50040033 OC1=C(Oc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50040035 OC1=C(Nc2ccccc2Cl)C(=O)OC(C1)c1ccccc1 |c:1|
BDBM50040036 OC1=C(Nc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM50040037 OC1=C(Nc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |c:1|
BDBM50040038 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccc1Cl |c:1|
BDBM50040039 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cccc(Cl)c1 |c:1|
BDBM50040040 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccc(Cl)cc1 |c:1|
BDBM50040042 Cc1cccc(C)c1C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:12|
BDBM50040043 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccc1C#N |c:1|
BDBM50040046 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccn1 |c:1|
BDBM50040080 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cccnc1 |c:1|
BDBM50040084 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)(C1CC1)c1ccccc1 |c:1|
BDBM50040085 OCC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:5|
BDBM50040087 NC(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:6|
BDBM50040088 CNC(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:7|
BDBM50040089 CN(C)C(=O)C1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:8|
BDBM50040090 CNC(=O)CC1(CC(O)=C(Sc2ccccc2Cl)C(=O)O1)c1ccccc1 |t:8|
BDBM50040091 OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCOc3ccccc23)C1 |c:1|
BDBM50040093 OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3ccccc23)C1 |c:1|
BDBM50040095 OC1=C(Sc2ccccc2Cl)C(=O)OC2(CCc3c2cccc3-c2ccccc2)C1 |c:1|
BDBM197158 OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)c1ccccc1 |w:14.17,c:1|
BDBM197159 OC1=C(Sc2ccccc2Cl)C(=O)NC(C1)(c1ccsc1)c1ccccc1 |w:14.17,14.23,c:1|
BDBM50039989 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1ccccc1 |c:1|
BDBM50039991 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)c1cccc(c1)C#N |c:1|
BDBM50040026 CCOc1ccccc1C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:13|
BDBM50040028 CC(C)C1CC(O)=C(Sc2ccccc2Cl)C(=O)O1 |t:6|
BDBM50040029 OC1=C(Sc2ccccc2Cl)C(=O)OC(C1)C1CCOCC1 |c:1|
BDBM50040030 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1ccccc1 |c:1|
BDBM197160 OC1=C(Sc2ccccc2Cl)C(=O)N[C@@](C1)(c1ccsc1)c1ccc(cc1)N1CCOCC1 |r,c:1|
BDBM50139139 CC(C)c1c(O)c(O)c(C(O)=O)c2cc(ccc12)-c1cc2c(C(O)=O)c(O)c(O)c(C(C)C)c2cc1C
BDBM50114404 COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cc(co1)-c1cccc(c1)C(O)=O
BDBM50114407 OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1
BDBM50114410 COC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2cccnc2)o1
BDBM50089931 C[C@@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1 |r,c:13|
BDBM50089933 CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:13|
BDBM50089934 COC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:12|
BDBM50089935 OCCNC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:14|
BDBM50089936 CN(C)C(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:13|
BDBM50089937 CNC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:12|
BDBM50089939 CNc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:9|
BDBM50089940 Nc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:8|
BDBM50089941 COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:9|
BDBM50089942 OC1=C(Sc2cc(O)ccc2Cl)C(=O)CC(C1)c1c(Cl)cccc1Cl |c:1|
BDBM50089945 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1cccnc1 |c:1|
BDBM50089946 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1Cl |c:1|
BDBM50089947 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccccc1 |c:1|
BDBM50089949 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(NC2CCOCC2)c1Cl |c:1|
BDBM50089950 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCNCC2)c1Cl |c:1|
BDBM50089951 CC(=O)N1CCN(CC1)c1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl |t:19|
BDBM50089952 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2COC2)c1Cl |c:1|
BDBM50089953 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCN(CC2)C2CC2)c1Cl |c:1|
BDBM50089954 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)cc(cc1Cl)N1CCOCC1 |c:1|
BDBM50089955 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(N2CCOCC2)c1Cl |c:1|
BDBM50114399 OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)CC#N)o1
BDBM50114400 OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ccc3c2)o1
BDBM50114401 OC(=O)c1cccc(c1)-c1ccc(\C=N\NC(=O)c2ccc3[nH]ncc3c2)o1
BDBM50114402 OCc1cccc(c1)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
BDBM50114403 COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(s1)-c1cccc(c1)C(O)=O
BDBM50114405 COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1ccc(cc1)C(O)=O
BDBM50114406 COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1c[nH]c(c1)-c1cccc(c1)C(O)=O
BDBM50114408 OC(=O)c1ccc(cc1)-c1ccc(\C=N\NC(=O)CC#N)o1
BDBM50114409 COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1ccc(o1)-c1cccc(c1)C(O)=O
BDBM50114411 OC(=O)c1ccc(cc1)-c1cccc(\C=N\NC(=O)CC#N)n1
BDBM50114412 COc1cc(cc(OC)c1OC)C(=O)N\N=C\c1cccc(n1)-c1cccc(c1)C(O)=O
BDBM50089923 CCOC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccccc2)c1 |c:13|
BDBM50089924 COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(c2Cl)-c2ccncc2)c1 |c:9|
BDBM50089925 COc1ccc(C#N)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(OC(C)C)c2Cl)c1 |c:10|
BDBM50089926 CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3C#N)C(=O)C2)c1Cl |t:13|
BDBM50089928 CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3cc(O)ccc3Cl)C(=O)C2)c1Cl |t:13|
BDBM50089929 COc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)ccc(NC3CCOCC3)c2Cl)c1 |c:9|
BDBM50089930 C[C@H](OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1)c1ccccc1 |r,c:13|
BDBM50103567 Clc1ccccc1SC1C(=O)CC(NC1=O)(c1ccsc1)c1ccc(cc1)N1CCOCC1
BDBM50103568 COc1ncc(-c2ccc3c(Nc4cc(Oc5cc(F)cc(F)c5)cc(c4)C(O)=O)c(cnc3c2)S(=O)(=O)NC2CC2)c(OC)n1
BDBM50103569 COC(=O)c1cc2c(cc(cc2n1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)-c1ccccc1)C(F)(F)F |r|
BDBM50103570 COC(=O)c1cc2c(cc(cc2n1O)-c1ccccc1)C(F)(F)F
BDBM50089932 CC(C)OC(=O)Cc1ccc(Cl)c(SC2=C(O)CC(CC2=O)c2c(Cl)cccc2Cl)c1 |c:14|
BDBM50089943 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1cncnc1 |c:1|
BDBM50089944 OC1=C(Sc2ccccc2Cl)C(=O)CC(C1)c1c(Cl)ccc(c1Cl)-c1ccncc1 |c:1|
BDBM50089948 CC(C)Oc1ccc(Cl)c(C2CC(O)=C(Sc3ccccc3Cl)C(=O)C2)c1Cl |t:13|