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2354 SMILES Strings for Androgen Receptor

Compound NameSMILES String
BDBM50443329 Cc1cn(c(C)n1)-c1ccc(CNS(=O)(=O)c2cc(F)ccc2F)cc1
BDBM18559 Cc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
BDBM18600 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)ccc2c1
BDBM19234 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2cccc(OCCCC(=O)NCCCC(O)=O)c2)cc1
BDBM36720 CCC(CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
BDBM36721 CCC(CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
BDBM18663 C[C@](O)(COc1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
BDBM17636 OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
BDBM18526 Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18533 CCN(C(C)C)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM50448165 [#6]S(=O)(=O)[#7]-c1cccc(\[#6]=[#6]-2/c3ccccc3-[#6]-[#6]-c3ccccc-23)c1
BDBM50448166 C\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
BDBM50448167 CC\C(c1cccc(NS(C)(=O)=O)c1)=C1\c2ccccc2COc2ccccc12
BDBM50448168 CC\C(c1cccc(NS(C)(=O)=O)c1)=C1/c2ccccc2OCc2cccc(OC)c12
BDBM18699 C[C@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
BDBM35888 OC(=O)c1ccccc1Nc1ccc(Sc2ccccc2)cc1
BDBM35914 OC(=O)c1ccccc1Nc1cccc(Cc2ccccc2)c1
BDBM35885 OC(=O)c1ccc(c2c1[nH]c1ccccc1c2=O)C(F)(F)F
BDBM9461 COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM7458 Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
BDBM8903 [H][C@@]12CC[C@H](C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:20|
BDBM7462 Oc1ccc(cc1)-c1oc2cc(O)cc(O)c2c(=O)c1O
BDBM18189 [H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C |t:20|
BDBM18166 O[C@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wU:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)|
BDBM18167 OC1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
BDBM18168 O[C@@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
BDBM18169 O[C@H]1CCn2c1c(O)n(-c1ccc([N+]([O-])=O)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
BDBM18171 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wU:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
BDBM18192 CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18170 OC1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
BDBM18211 CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F
BDBM18190 CCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18191 FC(F)(F)c1cc(=O)[nH]c2cc3OCCNc3cc12
BDBM18187 [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2C(C)C)c1ccc(C#N)c(Cl)c1C |r|
BDBM18208 CC1COc2cc3[nH]c(=O)cc(c3cc2N1)C(F)(F)F
BDBM18221 FC(F)(F)c1cc(=O)[nH]c2cc3OC[C@H]4CCCN4c3cc12 |r|
BDBM18222 FC(F)(F)c1cc(=O)[nH]c2cc3OCC4CCCCN4c3cc12
BDBM18163 Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc(C#N)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;21.55,-7.96,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)|
BDBM18181 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
BDBM18212 CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC1CC1)C(F)(F)F
BDBM8885 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |r,t:18|
BDBM18203 CCC1CN(CC)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
BDBM18179 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2C)c1ccc(C#N)c(Cl)c1C |r|
BDBM18172 O[C@H]1CCn2c1c(O)n(-c1ccc(C#N)c3ccccc13)c2=O |r,wD:1.0,(-7.31,4.33,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;5.32,2.76,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,)|
BDBM18195 CC(C)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18174 [H][C@]12CN(C(=O)N1CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r|
BDBM18196 CC(C)(C)N1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18197 FC(F)(F)CN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18175 [H][C@]12CN(C(=O)[C@@]1([H])CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r|
BDBM18217 CC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
BDBM18198 FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(CC4CC4)c3cc12
BDBM18178 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
BDBM18161 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|
BDBM18199 FC(F)(F)c1cc(=O)[nH]c2cc3OCCN(Cc4ccccc4)c3cc12
BDBM18210 CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC)C(F)(F)F
BDBM18219 CC(C)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
BDBM18220 CC(C)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
BDBM18184 [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
BDBM18176 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|
BDBM18185 [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
BDBM18218 CC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
BDBM18205 C[C@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r|
BDBM18206 C[C@@H]1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F |r|
BDBM18201 CC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
BDBM18188 [H][C@@]12[C@@H](O)CCN1C(=O)C(=C2C)c1ccc(C#N)c(Cl)c1C |r,c:10|
BDBM18164 Oc1c2CCCn2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |(-3.62,5.53,;-3.62,3.99,;-4.86,3.09,;-6.4,3.09,;-6.88,1.62,;-5.63,.72,;-4.39,1.62,;-2.85,1.62,;-1.94,.38,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,)|
BDBM18165 O[C@@H]1Cc2c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n2C1 |r,wD:1.0,(-8.34,1.15,;-6.88,1.62,;-6.4,3.09,;-4.86,3.09,;-3.62,3.99,;-3.62,5.53,;-2.37,3.09,;-.83,3.09,;.03,4.36,;1.57,4.25,;2.24,2.87,;3.78,2.76,;4.45,1.37,;4.64,4.03,;1.38,1.59,;2.05,.21,;1.19,-1.07,;-.35,-.96,;-1.02,.43,;-.16,1.7,;-2.85,1.62,;-1.94,.38,;-4.39,1.62,;-5.63,.72,)|
BDBM18183 [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
BDBM18162 Oc1c2[C@H]3CC[C@H](C3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |r,wU:6.6,3.7,(12.2,-7.28,;12.6,-8.77,;11.56,-9.96,;10.02,-9.96,;9.25,-11.29,;10.02,-12.62,;11.56,-12.62,;10.02,-11.73,;12.33,-11.29,;13.87,-10.92,;15.03,-11.93,;14,-9.4,;15.49,-9,;16.07,-7.57,;17.59,-7.36,;18.54,-8.57,;20.06,-8.36,;20.83,-9.69,;20.64,-6.93,;17.96,-10,;18.91,-11.21,;18.34,-12.64,;16.81,-12.86,;15.86,-11.64,;16.44,-10.22,)|
BDBM18186 [H][C@@]12[C@H](O)CCN1C(=O)N([C@@H]2C(F)(F)F)c1ccc(C#N)c(Cl)c1C |r|
BDBM18209 CCN1C(C)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18173 Cc1c(Cl)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |r,wU:12.13,(.01,.36,;.81,1.67,;2.35,1.63,;3.09,.28,;3.16,2.94,;2.42,4.3,;.88,4.34,;.08,3.02,;-1.46,3.02,;-1.94,4.49,;-1.03,5.73,;-3.48,4.49,;-4.72,5.39,;-4.72,6.93,;-5.97,4.49,;-5.5,3.02,;-3.95,3.02,;-2.71,2.12,;-2.71,.58,;4.7,2.9,;6.24,2.9,)|
BDBM18215 C[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
BDBM18216 C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |r|
BDBM18204 CCC1CN(CC(F)(F)F)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
BDBM18194 CCCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18214 CCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM18177 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
BDBM18207 [H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |c:28,t:24|
BDBM18213 CC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM18193 CCN1CCOc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM18182 [H][C@@]12[C@H](O)CCN1C(=O)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|
BDBM18202 CCC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
BDBM18180 [H][C@@]12[C@@H](O)CCN1C(=O)N([C@@H]2CC)c1ccc(C#N)c(Cl)c1C |r|
BDBM18200 CC1CN(C)c2cc3c(cc(=O)[nH]c3cc2O1)C(F)(F)F
BDBM18862 OC(=O)Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1
BDBM18860 N[C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)C(O)=O |r|
BDBM17638 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1
BDBM19202 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccsc1 |r,t:5|
BDBM19237 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(O)=O)cc2)cc1
BDBM19238 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccc(Oc2ccc(Cl)c(OCC(O)=O)c2)cc1)Cc1ccc(F)cc1F
BDBM17292 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
BDBM19206 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@@H](O)CC=C |r,t:5|
BDBM19201 [H][C@@]1(CCCC2=Cc3c(C[C@]12C)cnn3-c1ccc(F)cc1)[C@](C)(O)c1ccc(F)cc1 |r,t:5|
BDBM19233 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)CC=C1[C@@]2([H])CCC2=CC(=O)CC[C@]12Cc1ccc(C)cc1 |r,c:13,t:20|
BDBM19459 Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
BDBM19190 [H][C@@]12CC[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |r,c:27,t:23|
BDBM18647 COc1ccncc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18649 COc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
BDBM18665 CC(=O)Nc1ccc(OC[C@](C)(O)C(=O)Nc2ccc(c(c2)C(F)(F)F)[N+]([O-])=O)cc1 |r|
BDBM18635 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18653 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(C)=O)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18637 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18632 COc1c(O)ccc2O\C(=C/c3sccc3C(C)O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
BDBM18634 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(F)cc1F)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18646 COc1ncccc1NC(=O)N1C[C@H](C)N(C[C@H]1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18616 COc1c(O)ccc2O\C(=C/c3sccc3CO)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:28|
BDBM18636 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18648 COc1cncc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)c1 |r|
BDBM18650 CSc1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
BDBM18678 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18584 CC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18654 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C#N)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18544 CC(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18579 FC(F)CN(CC(F)(F)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18644 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncc(C)c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM21725 [H][C@@]12CC(=O)C(=CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |w:6.6,t:20|
BDBM18614 CC(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C)c2c1
BDBM18521 C[C@@H]1CC[C@H](CCl)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18550 FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCC3)ccc12
BDBM18617 COCc1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:30|
BDBM18651 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(Cl)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18638 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ncccn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18652 COC(=O)c1ccc(NC(=O)N2C[C@H](C)N(C[C@H]2C)c2ccc(C#N)c(c2)C(F)(F)F)cn1 |r|
BDBM18517 CC1CCCN1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18518 C[C@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18628 COc1c(O)ccc2O\C(=C/c3sccc3C(O)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:32|
BDBM18531 CCCN(CCC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18562 CCC(C)c1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
BDBM18570 CCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18571 FC(F)(F)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18580 CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18565 CCc1cc2c(cc(=O)[nH]c2cc1NC)C(F)(F)F
BDBM18566 CCc1cc2c(cc(=O)[nH]c2cc1NCC(F)(F)F)C(F)(F)F
BDBM18541 CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18602 CCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
BDBM18655 CC1CN(C(C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F
BDBM18659 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(N)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18522 C[C@@H]1CC[C@H]([C@@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18549 FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCC3)ccc12
BDBM18685 C[C@](O)(CSc1ccc(NC(=O)CCl)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18598 CCN(Cc1ccoc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18535 CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18536 FC(F)(F)CN(CC1CC1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18656 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18532 CCCCN(CCCC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18595 FC(F)(F)CN(Cc1cccs1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18542 CCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18578 FC(F)CN(CC(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18612 C[C@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18613 C[C@@H](CCl)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18645 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(C)nc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18643 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cnccc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18594 FC(F)(F)CN(Cc1ccccc1)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18597 FC(F)(F)CN(C(=O)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18537 CC1(C)Nc2cc3[nH]c(=O)cc(c3cc2C=C1)C(F)(F)F |c:17|
BDBM18538 CCC1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM18574 CC(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18575 CC(C)(C)CNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18534 FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N(CC1CC1)CC1CC1
BDBM18567 FC(F)(F)CNc1ccc2c(cc(=O)oc2c1)C(F)(F)F
BDBM18599 CCN(C(C)C(C)=O)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18601 Cc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
BDBM18627 [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
BDBM18640 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cncnc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18626 CC\C=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|
BDBM18658 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc(=O)[nH]c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18587 CCC(C)N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18588 FC(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18692 C[C@@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18592 FC(F)(F)CN(CC(F)(F)C(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18564 CC(C)CNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F
BDBM18539 CCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18540 Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18516 FC(F)(F)c1cc(=O)[nH]c2ccc(cc12)N1CCCC1
BDBM18568 FC(F)(F)CN(CC(F)(F)F)c1ccc2c(cc(=O)oc2c1)C(F)(F)F
BDBM18596 CCOC(=O)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18519 C[C@@H]1CC[C@@H](C)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18543 CCCCNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18607 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Br)c2c1
BDBM18608 COc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
BDBM18556 CCN(CC)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18557 CCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18547 CCC(C)(C)Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18548 CC(C)(Nc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F)C=C
BDBM18546 CC(C)(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18582 CCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18622 COc1c(O)ccc2OC(=Cc3sccc3C(C)N=O)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |w:10.10,t:30|
BDBM18525 CC(O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
BDBM18527 CCCNc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18657 C[C@H]1CN([C@H](C)CN1C(=O)Nc1ccc(nc1)C(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18528 CC(C)Nc1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18609 Oc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
BDBM18529 CN(C)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18558 CCCN(CC(F)(F)F)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18520 C[C@@H]1CC[C@H](CO)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18545 CC(C)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18572 FC(F)(F)c1cc(=O)[nH]c2ccc(NCC(F)(F)C(F)(F)F)cc12
BDBM18573 FC(F)(F)c1cc(=O)[nH]c2ccc(NC3CCCC3)cc12
BDBM18639 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccncn1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18642 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1cccnc1C)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18641 C[C@@H]1CN([C@@H](C)CN1C(=O)Nc1ccc[n+]([O-])c1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM18611 C[C@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r|
BDBM18610 C[C@@H](N(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F)C(F)(F)F |r|
BDBM18530 CCN(CC)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18560 CCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
BDBM18561 CCCc1cc2c(cc(=O)[nH]c2cc1N)C(F)(F)F
BDBM18591 FC(F)(F)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18593 OCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18623 CO\N=C(/C)c1ccsc1\C=C1/Oc2ccc(O)c(OC)c2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:32|
BDBM18603 CCCc1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
BDBM18606 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(Cl)c2c1
BDBM18589 FC(F)(F)CN(CCCl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18590 FC(F)(F)CN(CC(Cl)Cl)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18563 CCCNc1cc2[nH]c(=O)cc(c2cc1C)C(F)(F)F
BDBM18604 CC(C)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
BDBM18583 CCCCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18605 FC(F)c1cc(=O)[nH]c2ccc(cc12)N(CC(F)(F)F)CC(F)(F)F
BDBM18555 CN(C)c1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18523 C[C@@H]1CC[C@H]([C@H](O)C(F)(F)F)N1c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F |r|
BDBM18585 CC(C)(C)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18554 FC(F)(F)c1cc(=O)[nH]c2cc(NCc3ccccc3)ccc12
BDBM18551 FC(F)(F)c1cc(=O)[nH]c2cc(NC3CCCCC3)ccc12
BDBM18552 FC(F)(F)CNc1ccc2c(cc(=O)[nH]c2c1)C(F)(F)F
BDBM18586 CC(C)(C)CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18524 FC(F)(F)CN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(c2c1)C(F)(F)F
BDBM18553 FC(F)(F)c1cc(=O)[nH]c2cc(NCC(F)(F)C(F)(F)F)ccc12
BDBM29319 [H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@@H]2O |r|
BDBM29320 [H][C@@]12[C@@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
BDBM29327 [H][C@]12CN(C(N)=O)C(=Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,w:8.8|
BDBM29318 [H][C@]12CO\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r|
BDBM29324 [H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(C)C)=N\c1ccc(C#N)c(Cl)c1C |r|
BDBM29325 [H][C@]12CN=C(Nc3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r,t:3|
BDBM29328 [H][C@@]12[C@@H](O)CCN1\C(=N/C#N)N([C@H]2C)c1ccc(C#N)c(Cl)c1C |r|
BDBM29322 [H][C@@]12[C@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
BDBM29323 [H][C@@]12[C@H](O)CCN1\C(O[C@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
BDBM29326 [H][C@]12CN(C)\C(=N/c3ccc(C#N)c(Cl)c3C)N1CC[C@H]2O |r|
BDBM29321 [H][C@@]12[C@@H](O)CCN1\C(O[C@@H]2C(F)(F)F)=N\c1ccc(C#N)c(Cl)c1C |r|
BDBM29608 CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
BDBM27660 O=c1[nH]nc(Cc2ccccc2)c2ccccc12
BDBM26261 C[C@](O)(COc1ccc(Cl)c(F)c1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM22372 C[C@@H](Cc1ccc(O)c(O)c1)[C@H](C)Cc1ccc(O)c(O)c1
BDBM25433 O[C@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM25435 O[C@H]1CCCC[C@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM25436 O[C@@H]1CCCC[C@@H]1c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM25437 FC(F)(F)c1cc(O[C@@H]2CCCC[C@H]2C#N)ccc1C#N |r|
BDBM25428 CC1(C)N(CCCCO)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM25430 Oc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM25434 OC1CCCCC1c1ccc(C#N)c(c1)C(F)(F)F
BDBM25431 COc1cc(ccc1C#N)-c1ccccc1O
BDBM25432 C[C@@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |r|
BDBM35904 OC(=O)c1ccccc1Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1
BDBM35905 Cc1c(Cl)cccc1Nc1ccccc1C(O)=O
BDBM35906 COc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2C(F)(F)F)cc1
BDBM50334048 CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |w:1.0|
BDBM50334054 C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
BDBM50334055 Cc1cc(c(Cl)c2c1NC(C)(C)C(O)C2(C)C)-c1cccc2cc[nH]c12
BDBM50334058 C[C@@H]1[C@H](O)C(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cccc2cc[nH]c12 |r|
BDBM35908 OC(=O)c1ccccc1Nc1ccccc1OCc1ccccc1
BDBM35909 CC(C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM35887 OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)[N+]([O-])=O)cc1
BDBM35889 OC(=O)c1ccccc1Nc1ccc(Oc2ccc(cc2)C(F)(F)F)cc1
BDBM35890 CCCCCCOc1ccc(Nc2ccccc2C(O)=O)cc1
BDBM35910 OC(=O)c1ccccc1Nc1cccc(OCc2ccccc2)c1
BDBM35911 OC(=O)c1ccccc1Nc1ccc(cc1)C(F)(F)F
BDBM35912 OC(=O)c1ccccc1Nc1cccc(Oc2ccccc2)c1
BDBM35913 OC(=O)c1ccccc1Nc1ccccc1Oc1ccccc1
BDBM50133133 CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4C)c3c12 |t:1|
BDBM50133135 CSc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|
BDBM50133136 CCc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|
BDBM50151072 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4[C@@H](CCCN(C)c5ccc(cc5)[C@H]5C[C@@]6(C)[C@@H](CC[C@@]6(O)C#C)[C@@H]6CCC7=CC(=O)CCC7=C56)[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:44,51|
BDBM35907 OC(=O)c1ccccc1Nc1cccc(c1)-c1ccccc1
BDBM35886 OC(=O)c1cccc2Sc3ccc(cc3Nc12)C(F)(F)F
BDBM50049486 CC1=CC(=C)C(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
BDBM50062415 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(F)c4)c3c12 |t:1|
BDBM50178327 CCC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
BDBM50178328 C[C@]1(O)CCC2C3CC=C4C[C@@H](O)CC[C@]4(C=C)C3CC[C@]12C |t:8|
BDBM50076700 C[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50076701 C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F
BDBM50076702 CCC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50076703 CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@H]1C)C(F)(F)F
BDBM50076704 CC[C@H]1C[C@@H](C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50076705 CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F
BDBM50076706 CC[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F
BDBM50076707 CC[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50076710 CC[C@@H]1C[C@H](C)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50034132 CCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034133 CCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034134 CC(C)CCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034137 CCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034138 CN1[C@@H]2CCC3C4CC[C@H](N(C=O)C5CCCCC5)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50034139 CC(C)CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034153 CC(C)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50034163 CN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50121163 O=C1Nc2ccc(cc2C11CCCCC1)-c1cccc(c1)C#N
BDBM35895 CCCCCOC(=O)c1ccc(Nc2ccccc2C(O)=O)cc1
BDBM50129145 [#6]\[#6](-[#6])=[#6]\[#6]=[#6]-1/[#8]-c2ccc(F)cc2-c2ccc3-[#7]C([#6])([#6])[#6]=[#6](-[#6])-c3c-12 |t:23|
BDBM50129146 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/Br)c3c12 |t:1|
BDBM50063104 CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |t:1|
BDBM50063105 C[C@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50063106 CC12CCCN1c1cc3[nH]c(=O)cc(c3cc1CC2)C(F)(F)F
BDBM50063107 CCn1c2cc3NC(C)(C)C=C(C)c3cc2c(cc1=O)C(F)(F)F |t:10|
BDBM50063108 CC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50063109 CCC1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM35896 OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)cc1
BDBM35897 OC(=O)c1ccccc1Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50178332 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=O)C1CC[C@@H]2O |t:7|
BDBM50178333 C\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
BDBM50178334 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\F)C1CC[C@@H]2O |t:7|
BDBM50178335 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Cl)C1CC[C@@H]2O |t:7|
BDBM50178336 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=C)C1CC[C@@H]2O |t:7|
BDBM50118688 CC1(C)OC(=O)Nc2ccc(cc12)-c1csc(c1)C#N
BDBM50178337 C[C@]12CCC3C(CCC4=CC(=O)CC[C@]34C=C)C1CC[C@@H]2O |t:8|
BDBM50178338 CO\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|
BDBM50178320 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CO)C1CC[C@@H]2O |t:7|
BDBM50178321 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Br)C1CC[C@@H]2O |t:7|
BDBM50178322 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC=O)C1CC[C@@H]2O |t:7|
BDBM50178323 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C)C1CC[C@@H]2O |t:7|
BDBM50178324 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34CC#C)C1CC[C@@H]2O |t:7|
BDBM50178325 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C\Br)C1CC[C@@H]2O |t:7|
BDBM50178326 CO\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|
BDBM50034147 CCN(CC)C(=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50076708 CC[C@@H]1C[C@H](CC)c2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50076709 C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
BDBM50049509 COc1cc(C[C@H]2C(=C)CCCC2(C)C)c(O)cc1Br
BDBM50049510 COc1cc(C[C@H]2[C@H](C)CC(C)=CC2=C)c(OC(C)=O)cc1Br |c:11|
BDBM50178319 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/Cl)C1CC[C@@H]2O |t:7|
BDBM50063110 CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1C)C(F)(F)F
BDBM50063111 Cn1c2cc3NC(C)(C)CCc3cc2c(cc1=O)C(F)(F)F
BDBM50133131 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4C)c3c12 |t:1|
BDBM50133132 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccco4)c3c12 |t:1|
BDBM35917 OC(=O)c1ccccc1Nc1ccc2ccccc2c1
BDBM35902 OC(=O)c1ccccc1Nc1ccc(SC(F)(F)F)cc1
BDBM35903 OC(=O)c1ccccc1Nc1ccccc1Sc1ccccc1
BDBM50135914 CC1(C)N(CC#CCOCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50135915 CC1(C)N(CCOCCN2CCN(CCOCc3ccc(O)c(c3)C(N)=O)CC2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50118690 CC1(C)OC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
BDBM50118691 CC1(C)OC(=O)Nc2ccc(cc12)-c1ccc(F)c(Cl)c1
BDBM50118694 CC1(C)OC(=O)Nc2ccc(cc12)-c1coc(c1)C#N
BDBM50129171 CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Br)cc-34)c12 |t:1|
BDBM50129173 CC1CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12
BDBM50076711 CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C[C@@H]1C)C(F)(F)F
BDBM50076712 CCC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F
BDBM50076713 CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F
BDBM50076714 CC(C)[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50076715 CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(C)C)C(F)(F)F
BDBM50076716 C[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1C)C(F)(F)F
BDBM50076717 C[C@@H]1CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50076718 CC[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2CC1(CC)CC)C(F)(F)F
BDBM50076720 CC[C@H]1Cc2cc3c(cc(=O)[nH]c3cc2N[C@@H]1CC)C(F)(F)F
BDBM35891 CCCCCCc1ccc(Nc2ccccc2C(O)=O)cc1
BDBM50156508 Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c2ccccc12 |wU:3.3,5.4,(1.88,1.65,;1.41,.18,;-.06,-.29,;-1.39,.48,;-.62,-.85,;-1.39,-2.6,;-2.7,-1.83,;-2.7,-.29,;-4.06,.48,;-4.06,2.03,;-5.39,-.29,;-6.73,.48,;-8.06,-.29,;-9.39,.46,;-9.41,2.03,;-10.59,2.63,;-8.06,2.8,;-6.73,2.03,;-.06,-1.83,;1.41,-2.3,;1.88,-3.77,;2.3,-1.06,;3.84,-1.06,;4.61,-2.42,;6.16,-2.42,;6.93,-1.08,;8.47,-1.06,;10.02,-1.06,;6.16,.27,;6.91,1.61,;6.13,2.94,;4.59,2.91,;3.84,1.58,;4.61,.27,)|
BDBM50197380 CC(C)N(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50062433 CC1=CC(C)(C)Nc2ccc3-c4cc(Cl)ccc4OC(c4ccccc4)c3c12 |t:1|
BDBM50197381 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(N)=O)C[C@H]1CC(=O)CC[C@]31C
BDBM50049511 COc1cc(C[C@H]2[C@H](C)CCCC2=C)c(O)cc1Br
BDBM50049512 COc1cc(C[C@@H]2C(=C)CCCC2(C)C)c(O)cc1Br
BDBM35916 CC(C)(C)c1ccc(Nc2ccccc2C(O)=O)cc1
BDBM50156504 Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50156505 CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21
BDBM50156506 CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21
BDBM50156507 CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21
BDBM33070 CCOc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
BDBM35900 OC(=O)c1ccccc1Nc1ccc(Oc2cccnc2)cc1
BDBM35901 OC(=O)c1ccccc1Nc1ccc(cc1)[N+]([O-])=O
BDBM50178329 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@]2(O)C#C |t:7|
BDBM50178330 C\C=C\[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
BDBM50178331 CC\C=C/[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:11|
BDBM35898 OC(=O)c1ccccc1Nc1ccccc1[N+]([O-])=O
BDBM35899 OC(=O)c1ccccc1Nc1ccc(Oc2ccccc2)c(c1)C(F)(F)F
BDBM50034154 CCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50072714 CCCCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:21|
BDBM50072715 CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(F)cc-34)c12 |t:1|
BDBM50072716 CCCOC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
BDBM50197360 CCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197361 CCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197362 CCCCCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197363 CN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197364 CCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197366 CN(C)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50072701 CC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
BDBM50072702 CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Cl)cc-34)c12 |t:1|
BDBM50072704 CCCCC1Oc2ccc(Cl)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
BDBM50072705 CCCCC1Oc2ccc(C)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
BDBM50072713 CC(C)CCC1Oc2ccccc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
BDBM50215709 CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r,t:12|
BDBM50215710 CC1[C@@H]2[C@@H](O)CCN2S(=O)(=O)N1c1ccc(C#N)c(Cl)c1C |w:1.0|
BDBM50215711 Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2C[C@H](O)CN2S1(=O)=O)C#N
BDBM50215712 Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N
BDBM50215713 Cc1c(Cl)c(ccc1N1C(=O)[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N |r|
BDBM50215714 Cc1c(Cl)c(ccc1N1C[C@@H]2[C@H](O)CCN2S1(=O)=O)C#N
BDBM50215715 Cc1c(Cl)c(ccc1NS(=O)(=O)N1CC[C@@H](O)[C@H]1C(O)=O)C#N
BDBM50215716 Cc1c(Cl)c(ccc1N1C(=O)[C@]2(C)[C@H](O)CCN2S1(=O)=O)C#N
BDBM50215717 COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)Nc1ccc(C#N)c(Cl)c1C
BDBM50215718 COC(=O)[C@@H]1[C@H](O)CCN1S(=O)(=O)c1ccc(C#N)c(Cl)c1C
BDBM50215719 Cc1c(Cl)c(ccc1N1C[C@@H]2[C@@H](O)CCN2S1(=O)=O)C#N
BDBM50067668 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12 |t:1|
BDBM50199965 BrCC(Br)C1CCC(Br)C(Br)C1
BDBM50049500 CC1=CC(=C)C(Sc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
BDBM50049501 COc1cc(C[C@@H]2C(=C)C[C@H](CO)CC2(C)C)c(O)cc1Br
BDBM50049502 COc1cc(CC2C(=C)CCC2(C)C)c(O)cc1Br
BDBM50062414 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(C)c4)c3c12 |t:1|
BDBM35893 OC(=O)c1ccccc1Nc1ccc(Cc2ccccc2)cc1
BDBM35918 COc1ccccc1Oc1ccc(Nc2ccccc2C(O)=O)cc1C(F)(F)F
BDBM35894 OC(=O)c1ccccc1Nc1ccc(Oc2ccc(F)cc2)cc1
BDBM50197377 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
BDBM50197378 CCCCN(C)C(=O)CCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197379 CNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50066526 CC1=CC(C)(C)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N |t:1|
BDBM35892 Cc1ccc(Oc2ccc(Nc3ccccc3C(O)=O)cc2)cc1
BDBM50062405 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(c4)C(F)(F)F)c3c12 |t:1|
BDBM50062406 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Cl)c4)c3c12 |t:1|
BDBM50062407 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cccc(Br)c4)c3c12 |t:1|
BDBM50062409 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Br)cc4)c3c12 |t:1|
BDBM50062410 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccccc4)c3c12 |t:1|
BDBM50062411 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)cc4)c3c12 |t:1|
BDBM50062413 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(C)cc(Br)c4)c3c12 |t:1|
BDBM50197382 CCCCN(C)C(=O)CCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197383 CCN(CC)C(=O)CCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50034144 CCC(CC)N(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM35919 OC(=O)c1ccccc1Nc1ccccc1-c1ccccc1
BDBM50034142 CN1[C@@H]2CCC3C4CC[C@H](N(CCC(C)(C)C)C=O)[C@@]4(C)CCC3[C@@]2(C)CCC1=O
BDBM50034143 CCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50197384 CN(Cc1ccccc1)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197385 CCCCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197386 CCCCNC(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50113776 COc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:9|
BDBM50113777 Oc1ccc2c(CC[C@@H]3CC(=O)CC[C@@]23Cc2ccccc2)c1
BDBM50113778 COc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:9|
BDBM50113779 Oc1ccc2c(CCC3=CC(=O)CC[C@]23Cc2ccccc2)c1 |t:8|
BDBM50113780 CC#C[C@@]1(O)CC[C@]2(Cc3ccccc3)[C@H](CCc3cc(O)ccc23)C1
BDBM50113781 Oc1ccc2c(CCC3=CC(=O)CC[C@@]23Cc2ccccc2)c1 |t:8|
BDBM50113782 CC#C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(Cc4ccc(C)cc4)C3=CC[C@]12C |c:29,t:11|
BDBM50113783 Oc1ccc2c(CC[C@@H]3C[C@](O)(CC[C@@]23Cc2ccccc2)C#CCl)c1
BDBM50072707 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(CC=C)c3c12 |t:1|
BDBM50072709 CC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:19|
BDBM50063112 CC1(C)Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
BDBM50062421 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4cc(Cl)cc(Cl)c4)c3c12 |t:1|
BDBM50062423 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)c(Cl)c4)c3c12 |t:1|
BDBM50063113 CC1CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
BDBM50076687 CC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50063116 CC1CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F
BDBM50063117 CCC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
BDBM50076697 FC(F)(F)c1cc(=O)oc2cc3NCCCc3cc12
BDBM50076699 CCC1CC(C)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
BDBM50126158 Fc1cc(cc(c1)-c1ccc2NC(=S)C3(CCCCC3)c2c1)C#N
BDBM50133140 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccsc4)c3c12 |t:1|
BDBM50133141 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ncccc4C)c3c12 |t:1|
BDBM50086523 CC1(C)CCc2cc3c(cc(N)nc3cc2N1)C(F)(F)F
BDBM50086524 CNc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
BDBM50086525 CC1(C)CCc2cc3c(ccnc3cc2N1)C(F)(F)F
BDBM50086526 CSc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
BDBM50086527 CC1=CC(C)(C)Nc2cc3nc(Cl)cc(c3cc12)C(F)(F)F |t:1|
BDBM50086528 CC1(C)CCc2cc3c(cc(nc3cc2N1)S(C)(=O)=O)C(F)(F)F
BDBM50086529 CN1c2cc3nc(Cl)cc(c3cc2CCC1(C)C)C(F)(F)F
BDBM50086530 CC1=CC(C)(C)Nc2cc3nc(F)cc(c3cc12)C(F)(F)F |t:1|
BDBM50086531 CN1c2cc3nc(Cl)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:16|
BDBM50086532 CC1(C)CCc2cc3c(cc(Cl)nc3cc2N1)C(F)(F)F
BDBM50086533 CN1c2cc3nccc(c3cc2CCC1(C)C)C(F)(F)F
BDBM50086534 CCCCS(=O)c1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
BDBM50086535 CN1c2cc3nc(F)cc(c3cc2CCC1(C)C)C(F)(F)F
BDBM50205111 Cc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:14.15,(22.97,-37.01,;22.21,-35.67,;20.67,-35.65,;19.89,-36.98,;19.91,-34.31,;20.69,-32.99,;22.22,-32.99,;22.99,-34.34,;24.53,-34.34,;26.08,-34.34,;18.37,-34.31,;17.48,-33.06,;17.96,-31.6,;16.01,-33.53,;14.55,-33.04,;14.08,-31.57,;13.63,-34.28,;14.54,-35.53,;16,-35.06,;17.46,-35.55,;17.93,-37.02,)|
BDBM50205112 Cc1c(ccc(C#N)c1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(-.55,-20.76,;.23,-19.43,;-.53,-18.1,;.25,-16.77,;1.78,-16.77,;2.56,-18.12,;4.1,-18.12,;5.64,-18.12,;1.77,-19.45,;2.53,-20.79,;3.29,-22.13,;-2.07,-18.09,;-2.96,-16.84,;-2.48,-15.38,;-4.43,-17.31,;-5.89,-16.82,;-6.36,-15.35,;-6.8,-18.07,;-5.9,-19.31,;-4.44,-18.84,;-2.98,-19.33,;-2.51,-20.8,)|
BDBM50205113 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1F)c2=O |wU:1.0,(-7.12,-24.7,;-6.65,-26.17,;-7.57,-27.42,;-6.66,-28.66,;-5.2,-28.19,;-5.19,-26.66,;-3.72,-26.19,;-3.24,-24.73,;-2.83,-27.44,;-1.29,-27.45,;-.52,-26.12,;1.02,-26.12,;1.79,-27.47,;3.33,-27.47,;4.87,-27.48,;1.01,-28.8,;1.77,-30.14,;-.53,-28.78,;-1.31,-30.11,;-3.74,-28.68,;-3.27,-30.15,)|
BDBM50205114 Cc1c(F)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(21.37,-1.41,;22.15,-.08,;23.69,-.09,;24.45,-1.43,;24.47,1.24,;23.7,2.58,;22.16,2.59,;21.39,1.26,;19.85,1.27,;18.96,2.52,;19.44,3.98,;17.49,2.05,;16.03,2.54,;15.56,4.01,;15.11,1.29,;16.02,.04,;17.48,.51,;18.94,.03,;19.41,-1.44,;26.01,1.24,;27.55,1.23,)|
BDBM50205115 Cc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:11.12,(19.99,-30.33,;20.77,-29,;22.31,-29.02,;23.09,-27.69,;22.32,-26.34,;20.79,-26.34,;20.01,-27.66,;18.47,-27.66,;17.58,-26.41,;18.06,-24.95,;16.11,-26.88,;14.65,-26.39,;14.18,-24.92,;13.73,-27.63,;14.64,-28.88,;16.1,-28.41,;17.56,-28.9,;18.03,-30.37,;24.63,-27.69,;26.18,-27.69,)|
BDBM50205116 Cc1c(Br)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(21.54,-10.86,;22.32,-9.54,;23.86,-9.55,;24.62,-10.89,;24.64,-8.22,;23.87,-6.88,;22.33,-6.87,;21.56,-8.2,;20.02,-8.19,;19.13,-6.94,;19.61,-5.48,;17.66,-7.41,;16.2,-6.92,;15.73,-5.45,;15.28,-8.17,;16.19,-9.42,;17.65,-8.95,;19.11,-9.43,;19.58,-10.9,;26.18,-8.22,;27.72,-8.23,)|
BDBM50205117 Cc1c(O)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(19.73,-50.01,;20.51,-48.68,;22.05,-48.7,;22.81,-50.04,;22.83,-47.37,;22.06,-46.02,;20.52,-46.02,;19.75,-47.34,;18.21,-47.34,;17.31,-46.09,;17.8,-44.63,;15.85,-46.55,;14.38,-46.07,;13.92,-44.6,;13.47,-47.31,;14.37,-48.56,;15.84,-48.09,;17.3,-48.58,;17.76,-50.05,;24.37,-47.37,;25.91,-47.37,)|
BDBM50205118 COC(=O)c1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:17.18,(23.96,-42.91,;23.2,-41.57,;23.98,-40.24,;25.52,-40.26,;23.22,-38.9,;21.68,-38.88,;20.9,-40.21,;20.92,-37.55,;21.69,-36.22,;23.23,-36.22,;24,-37.57,;25.54,-37.57,;27.08,-37.58,;19.38,-37.54,;18.49,-36.29,;18.97,-34.83,;17.02,-36.76,;15.56,-36.27,;15.09,-34.8,;14.64,-37.52,;15.55,-38.76,;17.01,-38.3,;18.47,-38.78,;18.94,-40.25,)|
BDBM50049515 CC(C)C(C)\C=C\C(C)C1CCC2\C(CCCC12C)=C\C=C1\C[C@@H](O)CCC1=C
BDBM50226465 CC=C1C(=O)C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |w:1.0,t:10|
BDBM50086537 CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)[N+]([O-])=O |t:1|
BDBM50086539 Cc1cc(sc1-c1ccc2NC(C)(C)C=C(C)c2c1)C#N |t:15|
BDBM50197367 CCCCCCN(CCCCCC)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197368 CCCCN(C)C(=O)CCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50201771 CCSCC(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:4.4|
BDBM50201772 CC(C)C(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:3.3|
BDBM50201773 OC(C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:1.0|
BDBM50183678 Clc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50063094 CC1CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50056900 NC(=O)c1ccccc1O
BDBM50063119 CC1=CC(C)(C)Nc2c(C)c3n(C)c(=O)cc(c3cc12)C(F)(F)F |t:1|
BDBM50063120 C[C@@H]1[C@H](C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50063121 CC1=CC(C)(C)Nc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F |t:1|
BDBM50156509 Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50156510 CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21
BDBM50156511 CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n21 |wU:11.10,9.9,(-9.25,-.05,;-7.93,.7,;-7.93,2.25,;-9.25,1.48,;-6.58,-.05,;-5.24,.72,;-5.25,2.25,;-3.91,-.05,;-3.91,-1.6,;-2.58,-2.36,;-1.81,-.61,;-2.58,.72,;-1.24,-.05,;.22,.44,;.7,1.89,;1.13,-.83,;2.66,-.83,;3.45,-2.16,;4.99,-2.17,;5.74,-.83,;7.31,-.83,;8.09,-2.17,;8.09,.52,;4.98,.52,;5.73,1.85,;4.96,3.16,;3.41,3.16,;2.66,1.82,;3.44,.51,;.22,-2.07,;.7,-3.53,;-1.24,-1.6,)|
BDBM50156512 CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(C#N)c(c3)C(F)(F)F)c(=O)n21
BDBM50156513 Oc1c2[C@@H]3C[C@@H](CN3C(=O)Oc3ccc(F)cc3)n2c(=O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wU:3.3,5.4,(1.62,1.68,;1.15,.21,;-.3,-.27,;-1.63,.51,;-.88,-.83,;-1.63,-2.57,;-2.96,-1.81,;-2.96,-.27,;-4.29,.51,;-4.29,2.05,;-5.63,-.27,;-6.96,.51,;-8.29,-.27,;-9.63,.49,;-9.65,2.05,;-10.86,2.66,;-8.29,2.82,;-6.96,2.05,;-.3,-1.81,;1.15,-2.28,;1.62,-3.74,;2.04,-1.04,;3.61,-1.04,;4.37,-2.38,;5.9,-2.38,;6.69,-1.05,;8.24,-1.05,;9.01,-2.38,;9.01,.3,;5.9,.3,;6.67,1.63,;5.9,2.96,;4.36,2.94,;3.61,1.61,;4.37,.3,)|
BDBM50156514 CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)[N+]([O-])=O)c(=O)n21
BDBM50156515 Oc1c2[C@H]3CC[C@H](C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50156516 CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc([N+]([O-])=O)c4ccccc34)c(=O)n21 |wU:11.10,9.9,(-9.25,-.05,;-7.91,.7,;-7.93,2.25,;-9.27,1.48,;-6.58,-.05,;-5.25,.72,;-5.25,2.25,;-3.91,-.05,;-3.91,-1.6,;-2.58,-2.36,;-1.82,-.61,;-2.58,.72,;-1.24,-.05,;.22,.44,;.69,1.89,;1.13,-.83,;2.66,-.83,;3.44,-2.16,;4.99,-2.17,;5.76,-.83,;7.31,-.83,;8.09,-2.17,;8.09,.52,;4.96,.52,;5.74,1.85,;4.96,3.16,;3.41,3.16,;2.66,1.82,;3.44,.51,;.22,-2.07,;.69,-3.53,;-1.24,-1.6,)|
BDBM50156517 CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1[C@@]1(C)N2C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50156518 CCCCc1ccc(cc1)C(=O)N1C[C@@H]2C[C@H]1c1c(O)n(-c3ccc(cc3)C#N)c(=O)n21
BDBM50156521 Oc1c2[C@@H]3C[C@@H](CN3C(=O)c3ccccc3)n2c(=O)n1-c1ccc(cc1)[N+]([O-])=O
BDBM50051358 O=C1CC(Oc2ccccc12)c1ccccc1
BDBM50197387 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCCC1)C[C@H]1CC(=O)CC[C@]31C
BDBM50063102 CC1=C(C)C(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |c:1|
BDBM50063103 CC1Cc2cc3c(cc(=O)[nH]c3cc2NC1(C)C)C(F)(F)F
BDBM50063118 Cn1c2cc3N4CCCC4(C)CCc3cc2c(cc1=O)C(F)(F)F
BDBM50063114 CC(C)C1CC(C)(C)Nc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50063115 CC1c2cc3c(cc(=O)[nH]c3cc2NC(C)(C)C1(C)C)C(F)(F)F
BDBM50131271 Oc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|
BDBM50131272 Fc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|
BDBM50131270 CC(C)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50258751 O[C@](C=C)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |r|
BDBM50258791 OC1CC2CCC(C1)N2c1ccc(C#N)c2ccccc12 |TLB:0:1:8:4.5,9:8:7.1.2:4.5|
BDBM50228078 C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
BDBM50228079 C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
BDBM50228080 CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6|
BDBM50228081 C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1
BDBM50069065 C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
BDBM50069066 C[C@@H]1Cc2cc3c(cc(=O)n(C)c3cc2N1)C(F)(F)F
BDBM50069067 C[C@H]1CC[C@H]2Nc3cc4n(C)c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F
BDBM50069074 C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2[C@H]1C)C(F)(F)F
BDBM50205096 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(Cl)c1)c2=O
BDBM50205097 CCc1cc(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:12.13,(4.34,-4.72,;3.58,-3.37,;4.36,-2.05,;5.9,-2.06,;6.68,-.73,;5.91,.61,;4.37,.62,;3.6,-.71,;2.06,-.7,;1.16,.55,;1.65,2.01,;-.3,.08,;-1.76,.57,;-2.23,2.04,;-2.68,-.68,;-1.77,-1.93,;-.31,-1.46,;1.15,-1.94,;1.62,-3.41,;8.22,-.73,;9.76,-.74,)|
BDBM50205102 CCc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:18.19,(4.34,-4.72,;3.58,-3.37,;4.36,-2.05,;3.6,-.71,;4.37,.62,;5.91,.61,;6.68,-.73,;8.22,-.73,;9.76,-.74,;5.9,-2.06,;6.66,-3.4,;7.42,-4.73,;5.32,-4.17,;8,-2.65,;2.06,-.7,;1.16,.55,;1.65,2.01,;-.3,.08,;-1.76,.57,;-2.23,2.04,;-2.68,-.68,;-1.77,-1.93,;-.31,-1.46,;1.15,-1.94,;1.62,-3.41,)|
BDBM50205103 COc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(.83,-2.32,;1.61,-.99,;.85,.35,;-.69,.37,;-1.47,-.96,;-1.45,1.7,;-.68,3.03,;.86,3.03,;1.63,1.68,;3.17,1.68,;4.71,1.67,;-2.99,1.71,;-3.89,2.96,;-3.4,4.42,;-5.35,2.49,;-6.81,2.98,;-7.28,4.45,;-7.73,1.73,;-6.83,.49,;-5.36,.96,;-3.9,.47,;-3.44,-1,)|
BDBM50205104 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(F)c1F)c2=O |wU:1.0,(16.12,-15.47,;16.59,-16.94,;15.67,-18.19,;16.58,-19.44,;18.04,-18.97,;18.05,-17.43,;19.52,-16.97,;20,-15.5,;20.41,-18.21,;21.95,-18.22,;22.73,-16.89,;24.26,-16.9,;25.03,-18.24,;26.57,-18.24,;28.11,-18.25,;24.25,-19.57,;25.01,-20.91,;22.71,-19.56,;21.93,-20.89,;19.5,-19.45,;19.97,-20.92,)|
BDBM50205105 O[C@@H]1CCn2c1c(O)n(-c1ccc(cc1)C#N)c2=O
BDBM50205106 COc1cc(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O
BDBM50205107 COc1c(Cl)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:15.16,(1.24,-38.75,;2.02,-37.42,;1.26,-36.08,;-.28,-36.06,;-1.06,-37.39,;-1.04,-34.73,;-.27,-33.4,;1.27,-33.4,;2.04,-34.75,;3.58,-34.75,;5.12,-34.76,;-2.58,-34.72,;-3.48,-33.47,;-2.99,-32.01,;-4.94,-33.94,;-6.4,-33.45,;-6.87,-31.98,;-7.32,-34.7,;-6.42,-35.94,;-4.95,-35.47,;-3.49,-35.96,;-3.02,-37.43,)|
BDBM50205108 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c3cccnc13)c2=O |wU:1.0,(15.06,5.91,;15.52,4.44,;14.61,3.19,;15.51,1.94,;16.98,2.41,;16.99,3.95,;18.45,4.42,;18.94,5.88,;19.35,3.17,;20.89,3.16,;21.66,4.49,;23.2,4.48,;23.97,3.14,;25.51,3.14,;27.05,3.13,;23.19,1.81,;23.96,.47,;23.18,-.86,;21.63,-.85,;20.87,.49,;21.65,1.82,;18.44,1.93,;18.9,.46,)|
BDBM50205109 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)-c1ccccc1)c2=O
BDBM50205110 COc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:18.19,(13.93,-47.01,;13.17,-45.67,;13.95,-44.34,;13.19,-43,;13.96,-41.68,;15.5,-41.68,;16.27,-43.03,;17.81,-43.03,;19.35,-43.03,;15.49,-44.36,;16.25,-45.7,;17.01,-47.03,;14.91,-46.46,;17.6,-44.95,;11.65,-43,;10.76,-41.75,;11.24,-40.29,;9.29,-42.22,;7.83,-41.73,;7.36,-40.26,;6.91,-42.97,;7.82,-44.22,;9.28,-43.75,;10.74,-44.24,;11.21,-45.71,)|
BDBM50228076 C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F
BDBM50228077 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2[C@@H]3O[C@@H]3[C@@]3(C)C(CC[C@@]33CCC(=O)O3)C12 |t:6|
BDBM50094569 CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C)C(C)=O |t:9,12|
BDBM50135911 CC1(C)N(CCOCCOCCOCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50135912 CC1(C)NC(=O)N(C1=O)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50205098 Cc1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:14.15,(1.66,-40.91,;.9,-39.57,;-.64,-39.56,;-1.42,-40.88,;-1.4,-38.22,;-.62,-36.89,;.91,-36.9,;1.68,-38.24,;3.22,-38.24,;4.76,-38.25,;-2.94,-38.21,;-3.83,-36.96,;-3.35,-35.5,;-5.3,-37.43,;-6.76,-36.94,;-7.23,-35.47,;-7.68,-38.19,;-6.77,-39.44,;-5.31,-38.97,;-3.85,-39.45,;-3.38,-40.92,)|
BDBM50205099 COc1c(C)c(ccc1-n1c(O)c2[C@H](O)CCn2c1=O)C#N |wU:13.14,(-2.46,-47.7,;-3.22,-46.35,;-2.44,-45.03,;-.9,-45.04,;-.14,-46.38,;-.12,-43.71,;-.89,-42.37,;-2.42,-42.36,;-3.2,-43.69,;-4.74,-43.68,;-5.63,-42.44,;-5.15,-40.97,;-7.1,-42.9,;-8.56,-42.41,;-9.03,-40.94,;-9.47,-43.66,;-8.57,-44.91,;-7.11,-44.44,;-5.65,-44.92,;-5.18,-46.39,;1.42,-43.71,;2.97,-43.72,)|
BDBM50205100 Cc1c(ccc(C#N)c1C(F)(F)F)-n1c(O)c2[C@H](O)CCn2c1=O |wU:17.18,(-.05,-49.74,;.73,-48.41,;-.03,-47.07,;.75,-45.75,;2.28,-45.75,;3.05,-47.09,;4.59,-47.09,;6.13,-47.1,;2.27,-48.42,;3.03,-49.77,;3.79,-51.1,;1.69,-50.53,;4.38,-49.01,;-1.57,-47.07,;-2.46,-45.82,;-1.98,-44.35,;-3.93,-46.28,;-5.39,-45.8,;-5.86,-44.33,;-6.31,-47.04,;-5.4,-48.29,;-3.94,-47.82,;-2.48,-48.3,;-2.01,-49.77,)|
BDBM50205101 O[C@@H]1CCn2c1c(O)n(-c1ccc(C#N)c(c1)C(F)(F)F)c2=O
BDBM50252274 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccccc1[N+]([O-])=O
BDBM50252275 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50252276 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C#N
BDBM50252277 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)C(F)(F)F
BDBM50247976 CC(C)Sc1ccc(C#N)c(c1)C(F)(F)F
BDBM50249150 CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(17.67,-16.57,;19.01,-17.35,;19.52,-18.11,;19.53,-20.31,;19.51,-21.84,;17.66,-20.83,;16.31,-21.6,;14.98,-20.83,;14.98,-19.28,;16.31,-18.51,;17.62,-19.43,;19.01,-18.76,;20.55,-19.66,;21.82,-18.92,;23.1,-19.65,;23.11,-21.14,;21.82,-21.88,;20.54,-21.14,;19.77,-16,;18.98,-14.68,;21.31,-15.99,;22.07,-14.64,;23.61,-14.46,;23.91,-12.95,;22.57,-12.19,;21.43,-13.24,)|
BDBM50144159 COc1cccc2OC(c3cccc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144161 COc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144164 COc1cccc2OC(c3cccc(Cl)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144169 COc1cccc2OC(c3ccc(F)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50049503 COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:9|
BDBM50049505 CC1=CC(=C)C(Cc2ccc(c(C)c2)[N+]([O-])=O)C(C)(C)C1 |t:1|
BDBM50049506 COc1cc(C[C@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br
BDBM50049507 COc1cc(C[C@H]2[C@H](C)C[C@@H](C)CC2=C)c(O)cc1Br
BDBM50049508 COc1cc(C[C@@H]2C(=C)C[C@H](C)CC2(C)C)c(O)cc1Br
BDBM50099679 C[C@@](O)(CBr)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50099680 C[C@](O)(CBr)C(=O)Nc1ccc(N)c(c1)C(F)(F)F
BDBM50069083 Cn1c2cc3N[C@@H]4CCCC[C@]4(C)c3cc2c(cc1=O)C(F)(F)F
BDBM50069084 CCn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
BDBM50069085 CN1[C@@H]2CCCC[C@]2(C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
BDBM50069075 C[C@H]1CC[C@H]2Nc3cc4[nH]c(=O)cc(c4cc3[C@H]2C1)C(F)(F)F
BDBM50069076 C[C@H]1Nc2cc3[nH]c(=O)cc(c3cc2C1(C)C)C(F)(F)F
BDBM50069077 C[C@H]1N(C)c2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F
BDBM50069078 CN1CCc2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
BDBM50069079 C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50069080 CC1(C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50069081 CN1[C@H]2[C@H](CCCC2(C)C)c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
BDBM50069082 FC(F)(F)c1cc(=O)[nH]c2cc3NCCc3cc12
BDBM50278282 FC(F)(F)c1cc(Oc2ccccc2Cl)ccc1C#N
BDBM50278285 COc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278356 CC(C)c1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50076297 C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
BDBM50063123 CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C)c3cc12 |t:1|
BDBM50063124 CN1c2cc3[nH]c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:16|
BDBM50063125 CCCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50063126 CC1=CC(C)(C)Nc2c(C)c3[nH]c(=O)cc(c3cc12)C(F)(F)F |t:1|
BDBM50063127 CC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50063128 CCC1(C)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50247951 COc1cc(Sc2c(C)cc(C)cc2C)ccc1C#N
BDBM50247952 CCCSc1ccc(C#N)c(OC)c1
BDBM50247953 CCCCSc1ccc(C#N)c(OC)c1
BDBM50247954 COc1cc(SC(C)C)ccc1C#N
BDBM50247955 COc1cc(SCC2CC2)ccc1C#N
BDBM50126111 CC1(C)OC(=S)Nc2ccc(cc12)-c1csc(c1)C#N
BDBM50278401 Cc1cccc(C)c1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278353 CCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50248044 FC(F)(F)c1cc(SC2CCC2)ccc1C#N
BDBM50076684 FC(F)(F)C1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50076685 CCC1Nc2cc3oc(=O)cc(c3cc2CC1C)C(F)(F)F
BDBM50219533 CC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219534 CC(C)C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
BDBM50219535 CCN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)C(C)C
BDBM50219536 CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
BDBM50276438 CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
BDBM50223236 C[C@]1(O)CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C=C)[C@H]3CC[C@]12C |t:8|
BDBM50223237 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:7|
BDBM50223238 CC1=CC2=CC[C@H]3[C@@H]4CC[C@](C)(O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|
BDBM50076305 C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccc(Cl)cc4)c3c12
BDBM50076306 C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(F)c4)c3c12
BDBM50076308 C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(F)c4)c3c12
BDBM50076309 C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccccc4)c3c12
BDBM50076311 CC1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12
BDBM50197374 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
BDBM50197375 CCCN(C)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50197376 CCN(CC)C(=O)CCCCCCCC1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50151073 C[C@H](CCC(=O)N[C@@H](CCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12)C(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C |t:36,43|
BDBM50151074 CN(C(C)=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
BDBM50144173 CS(=O)(=O)Nc1ccc-2c(c1)C(Oc1cccc(OC(F)F)c-21)c1ccccc1
BDBM50248593 Cc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F
BDBM50248594 Fc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F
BDBM50248595 COc1ccccc1Sc1ccc(C#N)c(c1)C(F)(F)F
BDBM50248596 Cc1cccc(C)c1Sc1ccc(C#N)c(c1)C(F)(F)F
BDBM50248597 Cc1cc(C)c(Sc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1
BDBM50248598 COc1ccccc1Sc1ccc(C#N)c(OC)c1
BDBM50248599 COc1cc(Sc2c(C)cccc2C)ccc1C#N
BDBM50270630 CCC1(OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1ccco1
BDBM50151059 C[C@H](CCC(=O)NCCS(O)(=O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:65,72|
BDBM50151060 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151061 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:59,66|
BDBM50129149 [#6]-[#6]-1=[#6]C([#6])([#6])[#7]-c2ccc3-c4cc(F)ccc4-[#8]\[#6](=[#6]-4/[#16]-[#6]-[#6]-[#6]-[#16]-4)-c3c-12 |t:1|
BDBM50151063 C[C@H](CCC(=O)NCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151065 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)S(=O)(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:64,71|
BDBM50151066 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151067 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)N(C)C(=O)CCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151068 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:60,67|
BDBM50129152 C[C@H]1CC2[C@@H]3CC[C@](CC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |t:28|
BDBM50170573 CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)C)c(C)c1
BDBM50170576 CCC(CC)(c1ccc(NCC(O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
BDBM50170578 CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
BDBM50170582 CCC(CC)(c1ccc(NCCC(C)(C)O)c(C)c1)c1ccc(NCCC(C)(C)O)c(C)c1
BDBM50197358 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
BDBM50197359 CCCCN(C)C(=O)CCCCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50034146 CCCCCCCCN(C=O)[C@H]1CCC2C3CC[C@H]4N(C)C(=O)CC[C@]4(C)C3CC[C@]12C
BDBM50063095 CCC1(CC)CCc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50063096 CN1c2cc3n(C)c(=O)cc(c3cc2CCC1(C)C)C(F)(F)F
BDBM50063097 CN1c2cc3n(C)c(=O)cc(c3cc2C(C)=CC1(C)C)C(F)(F)F |c:17|
BDBM50063100 FC(F)(F)c1cc(=O)[nH]c2cc3NC4(CCCCC4)CCc3cc12
BDBM50063101 CCC1(C)CCc2cc3c(cc(=O)n(C)c3cc2N1)C(F)(F)F
BDBM50062416 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(C)c(F)c4)c3c12 |t:1|
BDBM50062417 CC1=CC(C)(C)Nc2ccc3-c4ccccc4OC(c4ccc(Cl)cc4)c3c12 |t:1|
BDBM50049487 COc1cc(CC2C(C)=CC(=C)CC2(C)C)c(O)cc1Br |c:8|
BDBM50049488 COc1cc(C[C@@H]2C(=C)[C@](C)(O)CCC2(C)C)c(O)cc1Br
BDBM50049489 COc1cc(C[C@@H]2C(=C)C(C)=CCC2(C)C)c(OC(C)=O)cc1Br |c:10|
BDBM50049490 COc1cc(CC2C(=C)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:9|
BDBM50049492 COc1cc(\C=C\CC2C(=C)C=C(C)CC2(C)C)c(O)cc1Br |t:11|
BDBM50049493 COc1cc(CC2C(=C)CCCC2(C)C)c(O)cc1Br
BDBM50049494 COc1cc(CC2C(=C)C=CCC2(C)C)c(O)cc1Br |c:9|
BDBM50049495 CC1=CC(=C)C(Cc2ccc3nonc3c2)C(C)(C)C1 |t:1|
BDBM50049496 COc1cc(CC2C3(CC3)C=C(C)CC2(C)C)c(OC(C)=O)cc1Br |t:11|
BDBM50049497 COc1cc(C[C@@H]2C(=C)CC[C@@H](Br)C2(C)C)c(O)cc1Br
BDBM50049513 COc1cc(C[C@@H]2[C@@H](C)CCCC2=C)c(O)cc1Br
BDBM50072697 CCCCC1Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
BDBM50072699 CCCCC1Oc2ccc(OC)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:23|
BDBM50219551 FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@@H](COc3c12)c1ccccc1
BDBM50276126 CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)c1ccccc1 |r|
BDBM50276127 CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)c1ccccc1 |r|
BDBM50249193 C[C@]1(CC2c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.20,TLB:0:1:4.9:11.16,8:9:2.1:11.16,12:11:4.9:2.1,THB:17:1:4.9:11.16,(7.07,-47.06,;8.41,-47.83,;8.92,-48.6,;8.93,-50.8,;7.06,-51.32,;5.71,-52.09,;4.38,-51.32,;4.38,-49.77,;5.71,-49,;7.02,-49.92,;8.41,-49.25,;9.95,-50.15,;11.22,-49.41,;12.5,-50.14,;12.51,-51.63,;11.23,-52.37,;9.95,-51.63,;9.17,-46.49,;8.38,-45.16,;10.71,-46.47,;11.47,-45.13,;13.01,-44.95,;13.31,-43.44,;11.97,-42.68,;10.83,-43.72,)|
BDBM50249195 CC1(CC2(C)c3ccccc3C1c1ccccc21)C(=O)Nc1nncs1 |TLB:0:1:5.10:12.17,9:10:2.1:12.17,13:12:5.10:2.1,THB:18:1:5.10:12.17,(4.76,-30.1,;6.1,-30.88,;6.61,-31.65,;6.62,-33.85,;6.6,-35.38,;4.75,-34.37,;3.4,-35.14,;2.06,-34.37,;2.07,-32.82,;3.4,-32.04,;4.71,-32.97,;6.1,-32.3,;7.64,-33.2,;8.92,-32.46,;10.2,-33.19,;10.2,-34.68,;8.92,-35.42,;7.64,-34.68,;6.86,-29.54,;6.07,-28.21,;8.41,-29.52,;9.16,-28.17,;10.71,-27.99,;11.01,-26.48,;9.66,-25.72,;8.53,-26.77,)|
BDBM50249196 C[C@]1(CC2(C#N)c3ccccc3C1c1ccccc21)C(=O)Nc1nccs1 |r,wU:1.0,wD:1.22,TLB:0:1:6.11:13.18,10:11:2.1:13.18,14:13:6.11:2.1,THB:19:1:6.11:13.18,(17.34,-30.79,;18.69,-31.57,;19.19,-32.33,;19.2,-34.53,;19.19,-36.06,;19.17,-37.6,;17.33,-35.05,;15.99,-35.82,;14.65,-35.05,;14.65,-33.5,;15.98,-32.73,;17.3,-33.65,;18.69,-32.98,;20.22,-33.88,;21.5,-33.14,;22.78,-33.87,;22.78,-35.36,;21.5,-36.1,;20.22,-35.36,;19.44,-30.22,;18.66,-28.9,;20.99,-30.21,;21.74,-28.86,;23.28,-28.68,;23.59,-27.17,;22.24,-26.41,;21.11,-27.46,)|
BDBM50219552 FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)C(COc3c12)c1ccccc1 |w:18.26|
BDBM50219553 CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C
BDBM50219554 FC(F)(F)c1cc(=O)[nH]c2ccc3N[C@@H](COc3c12)c1ccccc1
BDBM50219555 CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C
BDBM50219556 CCC[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219557 CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
BDBM50219558 CC(C)[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
BDBM50219559 C[C@@H]1COc2c(N1)ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219560 CCN1[C@H](C)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219544 FC(F)(F)CN1[C@@H](COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F)c1ccccc1
BDBM50278354 CCCc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50252215 Cc1ccc(CN(c2cc(C(=O)N3CCCC3)n(C)c2)c2ccc(cc2)[N+]([O-])=O)cc1
BDBM50252216 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(O)cc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252217 Cn1cc(cc1C(=O)N1C[C@H](O)[C@@H](O)C1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O |r|
BDBM50252218 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(CO)cc1)c1ccc(cc1)[N+]([O-])=O
BDBM50278283 FC(F)(F)c1cc(Oc2cccc(Cl)c2)ccc1C#N
BDBM50067684 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4C)c3c12 |t:1|
BDBM50220375 Cc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220376 COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220377 Oc1cccc(O)c1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220378 OC(=O)COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220379 FC(F)(F)c1cc(ccc1C#N)-c1ccccc1C(F)(F)F
BDBM50220380 Oc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220381 COC(=O)COc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220382 Cc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220383 COc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220384 COc1cccc(OC)c1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220385 Oc1ccc(cc1)-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220386 Cc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220387 OCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220388 COc1cccc(c1)-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220389 FC(F)(F)c1cc(ccc1C#N)-c1ccccc1Cl
BDBM50219540 C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1C
BDBM50219543 C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F
BDBM50219547 CCCN1[C@H](C)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219548 CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)(C)O
BDBM50219549 FC(F)(F)CN1CCOc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219550 FC(F)(F)c1cc(=O)[nH]c2ccc3NCCOc3c12
BDBM50076302 C[C@@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(c4)C(F)(F)F)c3c12
BDBM50248548 COc1cc(Oc2ccc(C)cc2)ccc1C#N
BDBM50248549 COc1cc(ccc1Oc1ccccc1C)C#N
BDBM50248550 COc1cc(ccc1Oc1cccc(C)c1)C#N
BDBM50248551 COc1cc(ccc1Oc1ccc(C)cc1)C#N
BDBM50248552 Cc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50131268 CCCCN(CCCC)c1ccc(\C=C2/C(=O)ON=C2c2ccccc2)cc1 |c:18|
BDBM50131269 Fc1ccccc1C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|
BDBM50172022 Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12
BDBM50211108 C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7|
BDBM50211109 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CC(=O)O5)[C@@H]1CC[C@@H]2O |t:7|
BDBM50211110 C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |t:7|
BDBM50211111 C\C=C/[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |c:10|
BDBM50211112 C[C@]12CC[C@H]3[C@@H](CC4[C@H](O)C[C@@]33CCC(=O)C=C43)[C@@H]1CC[C@@H]2O |t:17,TLB:16:17:6.4.5:10.8|
BDBM50219537 FC(F)(F)CN1[C@H](Cc2ccccc2)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219538 CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(C)C
BDBM50219539 CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC(F)(F)F |r|
BDBM50223226 CC1=CC2=CC[C@H]3[C@@H]4CC[C@@](O)(C#C)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|
BDBM50219545 FC(F)(F)c1cc(=O)[nH]c2ccc3N(CC4CC4)[C@H](COc3c12)c1ccccc1
BDBM50219546 C[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC=C
BDBM50252174 CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
BDBM50252175 Cn1cc(cc1C(=O)N1CCCC1)N(CC1CCCCC1)c1ccc(cc1)[N+]([O-])=O
BDBM50223227 CCC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:2,4|
BDBM50223228 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@]2(O)C#C |t:7|
BDBM50223229 CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 |t:1,3|
BDBM50223230 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
BDBM50223231 C[C@]12CC[C@H]3[C@@H](CC=C4C=C(CC[C@]34C=C)c3ccccc3)[C@@H]1CC[C@@H]2O |c:9,t:7|
BDBM50223232 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@](C)(O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
BDBM50223233 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8|
BDBM50223234 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=C)CC[C@]34C)[C@@H]1CC[C@@H]2O |t:8|
BDBM50223235 CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@]2(CC1)C=C |t:1,3|
BDBM50076296 C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4cccc(c4)C(F)(F)F)c3c12
BDBM50076298 C[C@H]1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O[C@@H](c4ccccc4)c3c12
BDBM50076300 CC1C(=O)C(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccccc4)c3c12
BDBM50248553 Cc1cccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
BDBM50248554 Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1
BDBM50086512 CC1(C)CCc2cc3c(cc(NS(C)(=O)=O)nc3cc2N1)C(F)(F)F
BDBM50086513 CN1c2cc3nc(Br)cc(c3cc2CCC1(C)C)C(F)(F)F
BDBM50086514 CC1(C)CCc2cc3c(cc(nc3cc2N1)C#N)C(F)(F)F
BDBM50086515 CC1CC(C)(C)Nc2c(C)c3nc(F)cc(c3cc12)C(F)(F)F
BDBM50086516 CC1CC(C)(C)Nc2c(C)c3nccc(c3cc12)C(F)(F)F
BDBM50086517 CC1(C)CCc2cc3c(cc(SCC(F)(F)F)nc3cc2N1)C(F)(F)F
BDBM50086518 CC1(C)CCc2cc3c(cc(nc3cc2N1)C(F)(F)F)C(F)(F)F
BDBM50086519 CC1(C)CCc2cc3c(cc(F)nc3cc2N1)C(F)(F)F
BDBM50086520 CCCCSc1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
BDBM50086521 CC1CC(C)(C)Nc2c(C)c3nc(Br)cc(c3cc12)C(F)(F)F
BDBM50086522 COc1ccc(CNc2cc(c3cc4CCC(C)(C)Nc4cc3n2)C(F)(F)F)cc1
BDBM50164168 COc1cc(CC=C)ccc1O
BDBM50069061 C[C@H]1CC[C@@H]2[C@H](C1)c1cc3c(cc(=O)n(C)c3cc1N2C)C(F)(F)F
BDBM50069062 C[C@]12CCCC[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
BDBM50069064 Cn1c2cc3NCCc3cc2c(cc1=O)C(F)(F)F
BDBM50069060 CCCN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
BDBM50214929 COCOCc1cc(F)ccc1\C=C1/Oc2ccc(O)c(OC)c2C2=C1C1C(NC(C)(C)C=C1C)C=C2 |w:27.38,26.28,c:26,35,39|
BDBM50069059 C[C@]12CCCC(C)(C)[C@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
BDBM50243394 CC1=C[C@H](CCC1)[C@@H]1Oc2c(F)cc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |r,t:1,27|
BDBM50278284 FC(F)(F)c1cc(Oc2ccc(Cl)cc2)ccc1C#N
BDBM50069073 CC1(C)CCC[C@H]2[C@@H]1Nc1cc3[nH]c(=O)cc(c3cc21)C(F)(F)F
BDBM50086544 CC1=CC(C)(C)Nc2ccc(cc12)-c1ccc(s1)C#N |t:1|
BDBM50086546 CC1=CC(C)(C)Nc2ccc(cc12)-c1csc(c1)C#N |t:1|
BDBM50086550 Cc1cc(sc1-c1ccc2NC(C)(C)C(=O)C(C)(C)c2c1)C#N
BDBM50086551 CC1CC(C)(C)Nc2ccc(cc12)-c1sc(cc1C)C#N
BDBM50086542 CC1(C)Nc2ccc(cc2C(C)(C)C1=O)-c1csc(c1)C#N
BDBM50219541 CCCN1[C@H](CC)COc2c1ccc1[nH]c(=O)cc(c21)C(F)(F)F
BDBM50219542 CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(c23)C(F)(F)F)N1CC
BDBM50077094 CCC1CCN(C)c2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
BDBM50077095 C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1CCC(F)(F)F)C(F)(F)F
BDBM50077096 FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@H]4CCCC[C@@H]4c3cc12
BDBM50077097 CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077099 C[C@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
BDBM50028962 O=c1cc(oc2ccccc12)-c1ccccc1
BDBM50264310 Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccsc3)c2c1)C#N
BDBM50073060 C[C@]1(O)CCC2C3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C |t:9|
BDBM50077115 C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2C1C)C(F)(F)F
BDBM50107347 COc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
BDBM50144149 COc1cccc2OC(c3cccc(F)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144150 COc1cccc2OC(c3cccs3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144153 COc1cccc2OC(c3cc(C)cc(C)c3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50144155 CCOc1cccc2OC(c3ccccc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50252124 Cc1cc(C)cc(c1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
BDBM50252125 Cc1cc(C)cc(c1)N(Cc1ccc(O)cc1)c1cc(C(=O)N2CCCC2)n(C)c1
BDBM50154003 CCCCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:25,32|
BDBM50154004 CCCCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:23,30|
BDBM50154005 CCCCCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:21,28|
BDBM50154006 CCCCC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:18,25|
BDBM50154007 CC[C@H]1C[C@]2(C)[C@@H](O)CCC2C2CCC3=CC(=O)CCC3=C12 |t:15,22|
BDBM50154009 CC(=O)O[C@@]1(CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5CC5[C@]4(C)C3CC[C@]12C)C(C)=O |t:9,12|
BDBM50197369 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
BDBM50197370 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCOCC1)C[C@H]1CC(=O)CC[C@]31C
BDBM50197371 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCS(=O)CCCC(F)(F)C(F)(F)F)CC1CC(=O)CC[C@]31C
BDBM50197372 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)C(CCCCCCCC(=O)N1CCCC1)C[C@H]1CC(=O)CC[C@]31C
BDBM50197373 CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1CC2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50086511 CC1(C)CCc2cc3c(cc(Br)nc3cc2N1)C(F)(F)F
BDBM50252123 Cc1cc(C)cc(c1)N(CC1CCCCC1)c1cc(C(=O)N2CCCC2)n(C)c1
BDBM50214922 COc1c(O)ccc2O\C(=C/c3cccc(O)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
BDBM50214923 COc1c(O)ccc2O\C(=C/c3ccc(F)cc3CO)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:24.24,32.33,c:23,t:21,30|
BDBM50252176 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252177 Cn1cc(cc1C(=O)N1CCCC1)N(Cc1ccc(F)cc1)c1ccc(cc1)[N+]([O-])=O
BDBM50258752 CN(C)C1CC(Nc2ccc(cc12)[N+]([O-])=O)C(C)(C)CO
BDBM50151069 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4CC(CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50151070 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCC(=O)N(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:63,70|
BDBM50151071 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@@H](C[C@@H]4CC(O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OC(=O)NCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50076692 CCCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50076696 CCC1CC(CC)c2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
BDBM50248505 Cc1ccccc1Oc1ccc(cc1Cl)C#N
BDBM50248506 Cc1ccccc1Sc1ccc(cc1Cl)C#N
BDBM50248507 Cc1ccccc1S(=O)c1ccc(cc1Cl)C#N
BDBM50248508 COc1cc(Oc2ccccc2C)ccc1C#N
BDBM50248509 COc1cc(Oc2cccc(C)c2)ccc1C#N
BDBM50124606 CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C=C)c-34)c12 |t:1|
BDBM50158068 Cc1cc(ccc1Br)-n1c(O)c2C3CC(C=C3)c2c1O |c:16,THB:9:11:15.16:13|
BDBM50158069 Oc1c2C3CCC(C3)c2c(O)n1-c1ccc2ccccc2c1 |TLB:1:2:7:5.4|
BDBM50158070 Oc1c2C3CC(C=C3)c2c(O)n1-c1cc(Cl)cc(Cl)c1 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4|
BDBM50158071 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |c:6,TLB:1:2:6.7:4,THB:9:8:6.7:4|
BDBM50158072 Cc1ccc(cc1C)-n1c(O)c2C3CC(C=C3)c2c1O |c:16,THB:9:11:15.16:13|
BDBM50158073 Oc1c2C3CCC(C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:7:5.4,THB:9:8:7:5.4|
BDBM50158074 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(cc1)[N+]([O-])=O |c:6,THB:9:8:7.6:4|
BDBM50158075 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:6,TLB:1:2:7.6:4,THB:9:8:7.6:4,(.02,2.61,;-1.14,1.58,;-2.64,1.89,;-4.27,2.42,;-4.54,3.83,;-4.67,1.18,;-5.99,.53,;-5.37,1.65,;-3.41,.55,;-2.38,-.59,;-2.7,-2.09,;-.97,.04,;.36,-.73,;.36,-2.28,;1.69,-3.05,;3.02,-2.28,;4.36,-3.05,;4.36,-4.59,;5.71,-2.28,;3.02,-.73,;4.36,.04,;4.36,1.58,;3.02,2.33,;1.69,1.57,;1.69,.04,)|
BDBM50158076 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2cccnc2c1 |c:6,THB:9:8:6.7:4|
BDBM50158077 Oc1c2C3CC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:6,THB:1:2:7.6:4|
BDBM50157825 Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |TLB:9:8:7:4.5,THB:1:2:7:4.5|
BDBM50157826 Oc1c2C3CCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:7,THB:10:9:7.8:4.5,(.45,2.28,;-.79,1.39,;-2.24,1.86,;-3.71,2.32,;-4.12,3.9,;-4.98,2.62,;-4.64,1.11,;-6.17,.83,;-5.2,2.02,;-3.15,.6,;-2.24,-.63,;-2.72,-2.1,;-.79,-.16,;.54,-.93,;.54,-2.47,;1.86,-3.23,;3.19,-2.47,;4.53,-3.23,;4.53,-4.76,;5.83,-2.48,;3.19,-.93,;4.53,-.16,;4.53,1.39,;3.17,2.14,;1.86,1.39,;1.86,-.16,)|
BDBM50157827 Oc1c2C3CCCC(C=C3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |c:8,THB:11:10:9.8:5.4.6,(.68,2.16,;-.58,1.25,;-2.03,1.74,;-3.5,2.21,;-3.83,3.73,;-5.9,3.54,;-4.76,2.51,;-4.46,1,;-5.97,.69,;-5.02,1.91,;-2.94,.48,;-2.03,-.75,;-2.51,-2.22,;-.58,-.29,;.77,-1.06,;.77,-2.6,;2.1,-3.37,;3.43,-2.6,;4.78,-3.39,;4.77,-4.93,;6.11,-2.62,;3.43,-1.06,;4.76,-.29,;4.76,1.25,;3.41,2.02,;2.08,1.25,;2.1,-.29,)|
BDBM50157816 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:6,THB:9:8:6.7:4|
BDBM50157817 Oc1c2C3CCC(CCC3)c2c(O)n1-c1cccc(c1)C(F)(F)F |TLB:1:2:4.5:8.9.7|
BDBM50157818 Cc1cc(ccc1Br)-n1c(O)c2C3C=CC([C@H](O)[C@@H]3O)c2c1O |c:14,TLB:9:11:16.18:14.13,19:18:20.11:14.13,THB:17:16:20.11:14.13|
BDBM50157819 CN1C2C=CC(c3c(O)n(c(O)c23)-c2ccc([N+]([O-])=O)c3ccccc23)C1=O |c:3,TLB:7:6:1.26:3.4,27:26:12.6:3.4,THB:0:1:12.6:3.4,(-3.5,5.13,;-3.76,3.62,;-3.34,2.04,;-4.85,1.74,;-5.8,.53,;-4.29,.83,;-2.78,.32,;-1.87,-.94,;-2.36,-2.4,;-.43,-.45,;-.43,1.08,;.82,1.99,;-1.87,1.55,;.91,-1.22,;.91,-2.77,;2.24,-3.52,;3.56,-2.77,;4.89,-3.52,;4.89,-5.08,;6.21,-2.77,;3.56,-1.24,;4.89,-.45,;4.89,1.08,;3.54,1.85,;2.22,1.08,;2.22,-.45,;-4.59,2.34,;-6.11,2.64,)|
BDBM50076693 CCC1CCNc2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50129163 CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(F)cc-34)c12 |t:1|
BDBM50129165 CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12 |t:1|
BDBM50129166 CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(Cl)cc-34)c12 |t:1|
BDBM50129167 CC1CC(C)(C)Nc2ccc-3c(COc4ccc(cc-34)[N+]([O-])=O)c12
BDBM50129168 CC1=CC(C)(C)Nc2ccc-3c(COc4c(F)cc(cc-34)C#N)c12 |t:1|
BDBM50077107 CCC1CCN(C)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077108 CC1(C)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077109 CC(C)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077110 CCC1(CC)CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077111 CCC1CCNc2cc3n(C)c(=O)cc(c3cc12)C(F)(F)F
BDBM50077112 FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCC[C@@H]4c3cc12
BDBM50077113 CCCC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077114 FC(F)(F)c1cc(=O)[nH]c2cc3NCCCc3cc12
BDBM50248040 FC(F)(F)c1cc(SCC2CC2)ccc1C#N
BDBM50248041 FC(F)(F)c1cc(SCC2CCC2)ccc1C#N
BDBM50248042 CC(C)CCSc1ccc(C#N)c(c1)C(F)(F)F
BDBM50248043 CC(C)(C)Sc1ccc(C#N)c(c1)C(F)(F)F
BDBM50158064 Oc1c2C3CC(C=C3)c2c(O)n1-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |c:6,THB:1:2:6.7:4|
BDBM50158065 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc2ccccc2c1 |c:6,THB:1:2:6.7:4|
BDBM50158066 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(O)c2ncccc12 |c:6,TLB:9:8:6.7:4,THB:1:2:6.7:4,(-2.27,-2.4,;-1.96,-.9,;-2.98,.26,;-4.24,.89,;-4.12,3.53,;-3.84,2.13,;-4.94,1.35,;-5.57,.23,;-2.22,1.59,;-.7,1.28,;.45,2.31,;-.54,-.26,;.8,-1.03,;.8,-2.59,;2.13,-3.35,;3.48,-2.59,;4.81,-3.35,;3.48,-1.03,;4.81,-.26,;4.79,1.28,;3.45,2.06,;2.12,1.28,;2.13,-.27,)|
BDBM50158067 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(F)c(Cl)c1 |c:6,THB:9:8:6.7:4|
BDBM50144457 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1
BDBM50158078 Oc1c2C3CC(C=C3)c2c(O)n1-c1ccc(Br)c(c1)C(F)(F)F |c:6,THB:9:8:6.7:4|
BDBM50157820 Oc1c2C3CCC(C=C3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |c:7,THB:10:9:7.8:5.4|
BDBM50157821 Oc1c2C3C=CC([C@@H]4C[C@H]34)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:4,TLB:11:10:7.9:5.4,8:7:2.10:5.4,8:9:2.10:5.4|
BDBM50157822 Oc1c2C3CCC(C=C3)c2c(O)n1-c1cccc(c1)C(F)(F)F |c:7,THB:1:2:8.7:5.4|
BDBM50157823 Cc1cc(ccc1Br)-n1c(O)c2C3CCC(C=C3)c2c1O |c:17,THB:9:11:16.17:13.14|
BDBM50157824 Oc1c2C3C=CC([C@@H]4C[C@H]34)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wD:7.7,9.8,c:4,TLB:11:10:7.9:5.4,8:7:2.10:5.4,8:9:2.10:5.4,(.68,2.16,;-.56,1.25,;-2.02,1.72,;-3.49,2.21,;-5.01,1.88,;-5.95,.69,;-4.45,1,;-4.75,2.51,;-5.9,3.54,;-3.99,3.84,;-2.93,.48,;-2.02,-.78,;-2.5,-2.25,;-.56,-.29,;.78,-1.06,;.78,-2.62,;2.11,-3.39,;3.44,-2.62,;4.77,-3.39,;4.77,-4.93,;6.11,-2.62,;3.44,-1.08,;4.77,-.29,;4.77,1.25,;3.43,2.02,;2.1,1.25,;2.11,-.29,)|
BDBM50252328 CC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
BDBM50252329 COC(=O)c1ccc(cc1)N(Cc1ccccc1)c1cc(C(=O)N2CCCC2)n(C)c1
BDBM50252330 CCOC(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252331 Cn1cc(cc1CO)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252332 Cn1cc(cc1C(O)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50135908 CC1(C)NC(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50135909 CC1(C)N(CCCCN2CCN(CCOCc3ccc(O)c(c3)C(N)=O)CC2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50135910 CC1(C)N(CCOCCOCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50129157 CC\C(C)=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:22|
BDBM50129159 CC1=CC(C)(C)Nc2ccc-3c(COc4ccc(Br)cc-34)c12 |t:1|
BDBM50247956 COc1cc(SCC2CCC2)ccc1C#N
BDBM50247957 COc1cc(SCCC(C)C)ccc1C#N
BDBM50077104 FC(F)(F)c1cc(=O)[nH]c2cc3NC[C@@H]4CCCC[C@@H]4c3cc12
BDBM50077105 CCC1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50155875 COc1cccc2C(=O)c3c(O)c4C[C@](O)(CC(OC5C[C@H](NCNC(=O)c6cc(COCC#CCN7C(=O)N(C(=O)C7(C)C)c7ccc(C#N)c(c7)C(F)(F)F)ccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
BDBM50155877 CCCC(=O)Oc1ccc(COCC#CCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1C(=O)NCN[C@H]1CC(OC2C[C@@](O)(Cc3c(O)c4C(=O)c5cccc(OC)c5C(=O)c4c(O)c23)C(=O)CO)O[C@@H](C)[C@H]1O
BDBM50124611 CNc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
BDBM50124615 CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#C)c-34)c12 |t:1|
BDBM50200182 C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C |r|
BDBM50103251 COc1cccc2OC(c3cc(Cl)cc(Cl)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:27|
BDBM50133144 COc1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:28|
BDBM50133146 CC1=CC(C)(C)Nc2ccc3-c4cccc(F)c4O\C(=C/c4ccccc4)c3c12 |t:1|
BDBM50133151 CN(C)c1ccccc1\C=C1/Oc2ccc(F)cc2-c2ccc3NC(C)(C)C=C(C)c3c12 |t:29|
BDBM50133152 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccccc4)c3c12 |t:1|
BDBM50133153 CC1=CC(C)(C)Nc2ccc3-c4cc(F)ccc4O\C(=C/c4ccncc4C)c3c12 |t:1|
BDBM50201099 Cc1noc(=O)c2ccc(NC(=O)C(O)(CC(C)(C)c3cccc4CCOc34)C(F)(F)F)cc12
BDBM50178314 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C=C)C1CC[C@@H]2O |t:7|
BDBM50178315 CC#C[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:10|
BDBM50178316 CC[C@]12CC[C@H](O)CC1=CCC1C3CC[C@H](O)[C@@]3(C)CCC21 |c:9|
BDBM50178317 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C#C)C1CC[C@@H]2O |t:7|
BDBM50178318 C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34\C=C/F)C1CC[C@@H]2O |t:7|
BDBM50278351 COc1cccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
BDBM50278352 COc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)cc1
BDBM50103246 COc1cccc2OC(c3ccccc3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:25|
BDBM50103247 COc1cccc2OC(c3cccc(c3)C(F)(F)F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
BDBM50103249 COc1cccc2OC(c3cccc(OCSC)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
BDBM50278450 COc1cccc(OC)c1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278451 COc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278452 COc1ccc(C)cc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50247958 CCCSc1ccc(C#N)c(c1)C(F)(F)F
BDBM50247959 CCCCSc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278497 Cc1ccc(O)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c1
BDBM50220946 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:26|
BDBM50220947 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:29|
BDBM50220933 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC(CCCC(F)(F)C(F)(F)F)C(O)=O)C[C@H]1CC(=O)CC[C@]31C |w:20.21|
BDBM50252450 [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1ccc(cc1)C(=O)N1CCCC1
BDBM50252449 Cn1cc(cc1C(=O)N1CCc2ccccc12)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50187668 Oc1c(oc2ccccc2c1=O)-c1ccccc1
BDBM50315100 CC(=O)CCc1ccc(O)cc1
BDBM50315101 CC(=O)Cc1ccc(O)cc1
BDBM50317657 CN(C)S(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317658 CC1(C)N(CCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317659 CC1(C)N(CCCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317660 Cc1cc(ccc1C#N)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O
BDBM50317661 COc1cc(ccc1C#N)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O
BDBM50317662 CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM50317663 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O
BDBM50317664 CN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317651 CC1(C)N(CCCC(O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317652 CC1(C)N(CCCC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317653 CC1(C)N(CCCNC(N)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317654 CC1(C)N(CCCNS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317655 CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317656 CNS(=O)(=O)CCCN1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50318295 CC1=NC(C)=C([C@@H](C1C#N)c1ccc(F)cc1Cl)C(=O)OC(C)(C)C |r,c:4,t:1|
BDBM50318296 CCCC1=C([C@@H](C(C#N)C(C)=N1)c1ccnc2ccccc12)C(=O)OCC |r,c:10,t:3|
BDBM50318298 COC(=O)C1[C@H](C(C(=O)OC(C)(C)C)=C(C)N=C1C)c1cccc(c1)[N+]([O-])=O |r,c:16,t:13|
BDBM50318300 COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]22CCC(=O)O2)[C@H]13 |r,t:6|
BDBM50278226 Cc1ccccc1Oc1ccc(C#N)c(Cl)c1
BDBM50318934 CNC(=O)Cn1cc(C2CC2)c(Oc2ccc(cc2)C#N)c1C1CC1
BDBM50318943 CCc1cn(CCO)c(CC)c1Oc1ccc(cc1)C#N
BDBM50319613 CC1(C)CN(Cc2ccccc2F)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50319614 Fc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(F)c1
BDBM50321176 Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
BDBM50321177 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2cccc(F)c2)cc1
BDBM50321178 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)c2cccc(F)c2)cc1
BDBM50321179 COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F
BDBM50321188 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)N2CCOCC2)c2cccc(F)c2)cc1
BDBM50321189 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2ccc(F)cc2)cc1
BDBM50321190 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Cl)c2)c2ccc(cc2)C(F)(F)F)cc1
BDBM50321191 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2ccc(cc2)C(F)(F)F)cc1
BDBM50312005 C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)C(=O)CC[C@]21C |r|
BDBM50312006 C[C@@]12[C@H](Cc3c1[nH]c1ccccc31)CC[C@@]1(O)C(C)(C)[C@H](O)CC[C@]21C |r|
BDBM50319611 CC1(C)CN(Cc2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50319612 CSc1ccc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1 |r|
BDBM50321180 COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F
BDBM50321181 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2ccc(cc2)C(F)(F)F)cc1
BDBM50321182 COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
BDBM50321183 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)c2cccc(F)c2)cc1
BDBM50321184 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2cccc(F)c2)cc1
BDBM50321185 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)c2cccc(F)c2)cc1
BDBM50321186 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)c2cccc(F)c2)cc1
BDBM50321187 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C2CCCCC2)c2cccc(F)c2)cc1
BDBM50278453 COc1ccc(CO)cc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50312650 Oc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
BDBM50321192 Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)C(F)(F)F
BDBM50321193 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(c2)C#N)c2ccc(cc2)C(F)(F)F)cc1
BDBM50321194 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2ccc(cc2)C(F)(F)F)cc1
BDBM50321195 Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
BDBM50214944 COc1c(O)ccc2O\C(=C/c3cccc(C)c3)C3=C(C=CC4NC(C)(C)C=C(C)C34)c12 |w:22.22,30.31,c:21,t:19,28|
BDBM50321196 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Br)cc2)C2CCCCC2)cc1
BDBM50321197 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)C2CCCCC2)cc1
BDBM50321198 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(F)cc2)C2CCCCC2)cc1
BDBM50321199 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)C2CCCCC2)cc1
BDBM50321200 COc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
BDBM50321201 Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccsc1
BDBM50321202 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C#N)c2ccsc2)cc1
BDBM50321203 Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1ccccc1
BDBM50321204 COc1ccc(NC(CC(=O)c2ccc(C)cc2)c2ccccc2)cc1
BDBM50276168 CC#C[C@@]1(O)CC[C@]2(CC=C)[C@H](CCc3cc(O)ccc23)C1 |r|
BDBM50276170 CC[C@@]12CC[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
BDBM50252024 CCN(CC)c1ccc(C=c2c(=C)[nH]oc2=O)cc1 |w:9.8|
BDBM50318666 C[C@H]1Cc2c([nH]c3cc(Cl)c(F)cc23)[C@@]2(N1)C(=O)Nc1ccc(Cl)cc21 |r|
BDBM50317665 CC1(C)N(CCCc2nnn[nH]2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317666 CC1(C)N(CCCS(O)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50317667 CC1(C)N(CCCS(N)(=O)=O)C(=S)N(C1=O)c1ccc(cc1)C#N
BDBM50317668 Cc1cc(C#N)c(cc1N1C(=S)N(CCCS(N)(=O)=O)C(C)(C)C1=O)C(F)(F)F
BDBM50278355 FC(F)(F)c1cc(Oc2ccccc2-c2ccccc2)ccc1C#N
BDBM50278498 COc1cccc(F)c1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50270631 Fc1cc(cc(c1)-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
BDBM50144147 COc1cccc2OC(c3ccc(C)cc3)c3cc(NS(C)(=O)=O)ccc3-c12
BDBM50103254 COc1cccc2OC(c3cccc(OC(=O)N(C)C)c3)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:31|
BDBM50264351 Cn1c(ccc1-c1ccc2NC(=O)COC(c3cccs3)(c3cccs3)c2c1)C#N
BDBM50264352 Cn1c(ccc1-c1ccc2NC(=O)COC(c3ccco3)(c3ccco3)c2c1)C#N
BDBM50124600 CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(C#N)c-34)c12 |t:1|
BDBM50144467 Cc1c(NS(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Cl)cc1F
BDBM50220390 COCCOCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50220391 COCCOc1ccccc1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50252075 Clc1ccc(cc1)C1=NOC(=O)\C1=C/c1ccc(cc1)N1CCCC1 |t:8|
BDBM50252076 Cc1cc(C)cc(Nc2cc(C(=O)N3CCCC3)n(C)c2)c1
BDBM50252077 Cn1cc(Nc2ccc(cc2)[N+]([O-])=O)cc1C(=O)N1CCCC1
BDBM50252078 CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1
BDBM50252173 CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
BDBM50220635 CCCCN(C)c1cc(c(cn1)C#N)C(F)(F)F
BDBM50220636 C[C@@H](Nc1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1
BDBM50220637 C[C@H](N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1
BDBM50220638 FC(F)(F)c1cc(ncc1C#N)N1CCC2CCCCC2C1 |w:15.15,20.22|
BDBM50220639 CC(N(C)c1cc(c(cn1)C#N)C(F)(F)F)c1ccccc1 |w:1.0|
BDBM50249107 Cc1cnc(NC(=O)C2(C)CC3c4ccccc4C2c2ccccc32)s1 |TLB:9:8:12.17:19.24,16:17:10.8:19.24,20:19:12.17:10.8,THB:6:8:12.17:19.24,(10.12,-9.32,;10.3,-10.85,;11.64,-11.6,;11.34,-13.12,;9.8,-13.3,;9.05,-14.64,;7.5,-14.66,;6.72,-13.33,;6.75,-16,;5.41,-15.22,;7.26,-16.77,;7.26,-18.96,;5.4,-19.48,;4.05,-20.25,;2.72,-19.48,;2.72,-17.93,;4.05,-17.16,;5.36,-18.08,;6.75,-17.41,;8.28,-18.31,;9.55,-17.57,;10.83,-18.3,;10.84,-19.79,;9.56,-20.53,;8.28,-19.79,;9.17,-11.89,)|
BDBM50252126 Cc1cc(C)cc(c1)N(Cc1ccc(CO)cc1)c1cc(C(=O)N2CCCC2)n(C)c1
BDBM50252127 CN(c1cc(C(=O)N2CCCC2)n(C)c1)c1ccc(cc1)[N+]([O-])=O
BDBM50276471 CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
BDBM50276472 CC[C@@]12C[C@H](O)[C@@](O)(C[C@H]1CCc1cc(OCc3cccnc3C)ccc21)C#CC |r|
BDBM50253371 CC(C)CNc1cc(CCc2cccc3ccccc23)nc(NCc2cccc3ccccc23)n1
BDBM50278404 CSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278405 CCOc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278406 CCSc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50276473 CC[C@@]12[C@H](O)C[C@@](O)(C[C@H]1CCc1cc(O)ccc21)C#CC |r|
BDBM50076688 CCC1CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
BDBM50076689 CCC1CCN(C)c2cc3oc(=O)cc(c3cc12)C(F)(F)F
BDBM50076691 CC1(C)CCc2cc3c(cc(=O)oc3cc2N1)C(F)(F)F
BDBM50076694 FC(F)(F)c1cc(=O)oc2cc3NCCC(c3cc12)C(F)(F)C(F)(F)F
BDBM50086506 CC1(C)CCc2cc3c(cc(nc3cc2N1)N(S(C)(=O)=O)S(C)(=O)=O)C(F)(F)F
BDBM50086507 CS(=O)c1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
BDBM50086508 CN(C)c1cc(c2cc3CCC(C)(C)Nc3cc2n1)C(F)(F)F
BDBM50086509 CN1c2cc3nc(cc(c3cc2CCC1(C)C)C(F)(F)F)C#N
BDBM50086510 CC1CC(C)(C)Nc2c(C)c3nc(Cl)cc(c3cc12)C(F)(F)F
BDBM50049385 Oc1cccc2oc(cc(=O)c12)-c1ccccc1
BDBM50077100 CC(C)CC1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077101 CCC1CCN(C=O)c2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50077102 FC(F)(F)c1cc(cc(c1)C(F)(F)F)C1CCNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50124593 CSc1cccc2OC(CC=C)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:21|
BDBM50124594 CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(CO)c-34)c12 |t:1|
BDBM50124596 CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(O)c-34)c12 |t:1|
BDBM50124597 CC1=CC(C)(C)Nc2ccc-3c(C(CC=C)Oc4cccc(OC(F)F)c-34)c12 |t:1|
BDBM50221435 FC(F)(F)c1cc(O[C@H]2CCCC[C@@H]2C#N)ccc1C#N
BDBM50221436 FC(F)(F)c1cc(OC2CCCCC2C#N)ccc1C#N |w:13.14,8.7|
BDBM50324115 COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50324116 COC(=O)C1=C(Cn2cnnn2)N=C(C)C(C#N)[C@H]1c1ccc(F)cc1Cl |r,c:4,t:13|
BDBM50324117 COC(=O)C1=C(Cn2ccnc2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50324118 COC(=O)C1=C(Cn2cccn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50324119 COC(=O)C1=C(Cn2cncn2)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:13|
BDBM50298028 CN1CC[C@@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
BDBM50298036 CC(N(CC(F)(F)F)c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(C)C
BDBM50323033 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1 |r|
BDBM50323034 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccccn1 |r|
BDBM50323035 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)C(N)=O |r|
BDBM50323036 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O |r|
BDBM50323037 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(C)(=O)=O |r|
BDBM50323038 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1cc(Cl)ncn1 |r|
BDBM50323039 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)c1ncccn1 |r|
BDBM50241192 C[C@]1(CC(N=N1)C(F)(F)F)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r,c:4|
BDBM50324201 CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:13|
BDBM50278402 Cc1cc(C)c(Oc2ccc(C#N)c(c2)C(F)(F)F)c(C)c1
BDBM50278403 Oc1ccccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50323018 CCCN1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323019 CCC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323020 CC(C)C(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323021 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)C1CC1 |r|
BDBM50305335 Cc1cccc(SCc2cc(=O)oc3cc(O)ccc23)n1
BDBM50323524 CC(C)c1onc(c1COc1ccc(N(C)Cc2ccc(cc2)C(O)=O)c(n1)C(F)(F)F)-c1c(Cl)cccc1Cl |(29.01,-37.57,;28.39,-38.98,;26.86,-39.15,;29.3,-40.22,;30.85,-40.22,;31.33,-41.69,;30.08,-42.6,;28.83,-41.7,;27.5,-42.46,;26.16,-41.7,;24.83,-42.47,;23.48,-41.71,;22.16,-42.49,;22.17,-44.02,;20.84,-44.79,;20.84,-46.33,;19.5,-44.03,;18.17,-44.8,;18.18,-46.35,;16.84,-47.12,;15.5,-46.35,;15.51,-44.81,;16.84,-44.04,;14.17,-47.12,;12.84,-46.35,;14.17,-48.66,;23.5,-44.79,;24.83,-44.01,;23.5,-46.33,;22.17,-47.1,;24.84,-47.1,;23.49,-47.86,;30.09,-44.13,;31.42,-44.89,;32.75,-44.11,;31.43,-46.43,;30.1,-47.21,;28.76,-46.45,;28.75,-44.91,;27.42,-44.14,)|
BDBM50323022 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)c1ccccc1 |r|
BDBM50323023 CCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323024 CCCOC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323025 CC(C)OC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323026 CCNC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50298219 CN1CC[C@H](C1)N(Cc1ccccc1C(F)(F)F)c1ccc(C#N)c(Cl)c1 |r|
BDBM50304073 COc1cc(CCC(C)=O)ccc1O
BDBM50323530 CN(Cc1cccc(c1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(21.34,-24.3,;21.34,-22.76,;20,-21.99,;18.67,-22.77,;17.33,-22,;16,-22.77,;16,-24.32,;17.34,-25.09,;18.67,-24.32,;17.34,-26.63,;16,-27.4,;18.67,-27.4,;22.67,-21.98,;22.65,-20.45,;23.98,-19.67,;25.32,-20.44,;26.66,-19.66,;28,-20.43,;29.32,-19.66,;29.79,-18.19,;31.35,-18.19,;31.83,-19.65,;30.58,-20.57,;30.59,-22.1,;31.92,-22.86,;33.25,-22.08,;31.93,-24.4,;30.6,-25.18,;29.26,-24.41,;29.25,-22.87,;27.92,-22.11,;28.88,-16.95,;28.71,-15.42,;27.47,-16.33,;25.33,-21.98,;24,-22.75,;24,-24.29,;22.67,-25.06,;25.34,-25.06,;23.99,-25.83,)|
BDBM50323533 CN(Cc1ccc(cc1)C(O)=O)c1ccc(OCc2c(onc2-c2c(Cl)cccc2Cl)C2CC2)nc1C(F)(F)F |(-1.96,-48.67,;-1.97,-47.13,;-3.3,-46.37,;-4.63,-47.14,;-4.63,-48.69,;-5.97,-49.46,;-7.3,-48.69,;-7.3,-47.15,;-5.97,-46.38,;-8.63,-49.46,;-9.97,-48.69,;-8.64,-51,;-.64,-46.36,;-.65,-44.83,;.68,-44.05,;2.02,-44.81,;3.36,-44.04,;4.7,-44.81,;6.02,-44.04,;6.49,-42.57,;8.04,-42.56,;8.53,-44.03,;7.28,-44.94,;7.28,-46.48,;8.62,-47.24,;9.94,-46.46,;8.63,-48.77,;7.29,-49.55,;5.96,-48.79,;5.95,-47.25,;4.61,-46.48,;5.58,-41.33,;5.41,-39.8,;4.17,-40.71,;2.03,-46.35,;.7,-47.13,;.7,-48.67,;-.63,-49.44,;2.03,-49.44,;.68,-50.21,)|
BDBM50324146 COC(=O)C1=C(C)N=C(C)C(C#N)C1c1ccc(F)cc1Cl |c:4,t:7|
BDBM50324149 CCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:10,t:3|
BDBM50324151 CCCCC1=C(C(C(C#N)C(C)=N1)c1ccccc1Cl)C(=O)OC |c:11,t:4|
BDBM50324157 CCCC1=C(C(C(C#N)C(C)=N1)c1ccc(F)cc1Cl)C(=O)OC |c:10,t:3|
BDBM50324158 COC(=O)C1=C(N=C(C)C(C#N)C1c1ccc(F)cc1Cl)C(F)(F)F |t:4,6|
BDBM50324160 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(cc1)C#N |r,t:7|
BDBM50067686 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4ccc(F)c(F)c4)c3c12 |t:1|
BDBM50220640 CC1CCN(CC1)c1cc(c(cn1)C#N)C(F)(F)F
BDBM50220641 FC(F)(F)c1cc(ncc1C#N)N1CCCCC1
BDBM50220642 CCC(C)N(C)c1cc(c(cn1)C#N)C(F)(F)F |w:2.2|
BDBM50220643 CCCN(CC1CC1)c1cc(c(cn1)C#N)C(F)(F)F
BDBM50220644 CCCN(CCC)c1cc(c(cn1)C#N)C(F)(F)F
BDBM50220934 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:25|
BDBM50220935 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27|
BDBM50220936 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27|
BDBM50220937 CN(C)C(=O)CCCCCCC[C@@H]1C[C@H]2CC(=O)CC[C@]2(C)[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12
BDBM50220938 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
BDBM50220939 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:29|
BDBM50220940 C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCC(O)=O)C[C@H]1CC(=O)CC[C@]31C
BDBM50220941 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28|
BDBM50220942 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:27|
BDBM50220943 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCc4ccc(OCCCC(O)=O)cc4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:26|
BDBM50220944 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCCCCCCC(O)=O)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:21|
BDBM50220945 C[C@]1(O)CC[C@H]2[C@@H]3[C@H](CCCCc4cccc(OCCCCC(O)=O)c4)CC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C |t:28|
BDBM50270575 CC1(C)OCC(=O)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N
BDBM50324196 OC(=O)c1ccc(cc1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:10|
BDBM50324199 COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|
BDBM50324210 OC(=O)c1ccc2C3=NN([C@@H](C4CCCC4)[C@H]3CCc2c1)c1ccc(C#N)c(Cl)c1 |r,t:7|
BDBM50323011 C[C@@]12CNC[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323012 CN1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50323013 C[C@@]12O[C@@](C)(c3c(O)n(c(O)c13)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)N(CC1CC1)C2=O |r|
BDBM50323014 CC(C)[N+]1([O-])C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50323015 CC(C)N1C(=O)[C@]2(C)O[C@@](C)(c3c(O)n(c(O)c23)-c2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50323016 C[C@@]12CN(O)C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323017 CON1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323027 CC(C)NC(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323028 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccccc1 |r|
BDBM50323029 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)C(=O)Nc1ccc(F)cc1 |r|
BDBM50323030 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(C)(=O)=O |r|
BDBM50323031 CCS(=O)(=O)N1C[C@]2(C)O[C@](C)(C1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50323032 C[C@@]12CN(C[C@@](C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F)S(=O)(=O)c1ccccc1 |r|
BDBM44830 C(CSc1nc2ccccc2[nH]1)Oc1ccccc1
BDBM50305316 Oc1ccc2c(c(Cc3ccccc3)c(=O)oc2c1)C(F)(F)F
BDBM39612 Oc1ccc(cc1O)C(=O)CSc1nc2ccccc2c(=O)[nH]1
BDBM50323590 Cn1c(ccc1-c1ccc(cc1)C(=O)C(C)(C)C)C#N
BDBM50323591 Cn1c(ccc1-c1ccc(cc1)C(N=O)C(C)(C)C)C#N
BDBM50324226 Cc1cc(ccc1C#N)N1N=C2[C@H](OCc3cc(ccc23)C(O)=O)[C@@H]1C1CCCC1 |r,c:11|
BDBM50324227 OC(=O)c1ccc(cc1)C1=NN([C@H](C1)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r,t:10|
BDBM50303806 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(cc1)C#N |r,t:7|
BDBM50303822 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)C(F)(F)F |r,t:7|
BDBM43281 Cc1cc(C)cc(OCCSc2nc3ccccc3n2CC(O)=O)c1
BDBM50303823 CC(C)C[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|
BDBM50303824 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:7|
BDBM50303825 CO[C@@](C)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccs1 |r,t:8|
BDBM50303826 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(F)cc1 |r,t:7|
BDBM50303827 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccccc1 |r,t:7|
BDBM50303828 Cc1ccccc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15|
BDBM50303829 Cc1cccc(c1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:15|
BDBM50303830 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)cc1 |r,t:7|
BDBM50303831 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccc(c1)C#N |r,t:7|
BDBM50252384 Cn1cc(cc1C(N)=O)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252385 CCN(CC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252386 CCCCN(CCCC)C(=O)c1cc(cn1C)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252387 Cn1cc(cc1C(=O)N1CCCCC1)N(Cc1ccccc1)c1ccc(cc1)[N+]([O-])=O
BDBM50252451 [O-][N+](=O)c1ccc(cc1)N(Cc1ccccc1)c1cccc(c1)C(=O)N1CCCC1
BDBM50211099 C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5[C@H](O)C[C@@]34CCC5=O)[C@@H]1CC[C@@H]2O |t:7|
BDBM50219260 Cn1c(ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1)C#N
BDBM50201104 COc1ccc(F)cc1C(C)(C)CC(O)(C(=O)Nc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
BDBM50069068 C[C@@H]1Cc2cc3c(cc(=O)[nH]c3cc2N1)C(F)(F)F
BDBM50211100 CC[C@]12CC[C@H](O)CC1=CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]21 |c:9|
BDBM50211101 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:8|
BDBM50211102 C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O |c:11,t:7|
BDBM50211103 C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@@]34CC[C@@H]5O)[C@@H]1CC[C@@H]2O
BDBM50211104 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@]34CCO5)[C@@H]1CC[C@@H]2O |t:7|
BDBM50211105 C[C@]12CC[C@H]3[C@@H](CC=C4[C@@H](CC=C)[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
BDBM50211106 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C=C)[C@@H]1CC[C@@H]2O |t:7|
BDBM50211107 C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@@]34CC[C@H]5O)[C@@H]1CC[C@@H]2O |t:7|
BDBM50278454 CCOc1cc(C)ccc1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50278455 Cc1ccc(Oc2ccc(C#N)c(c2)C(F)(F)F)c(O)c1
BDBM50069072 C[C@H]1Nc2cc3n(C)c(=O)cc(c3cc2C1(C)C)C(F)(F)F
BDBM50069069 Cn1c2cc3N[C@@H]4CCCC[C@@H]4c3cc2c(cc1=O)C(F)(F)F
BDBM50069070 CN1[C@@H]2CCCC[C@@H]2c2cc3c(cc(=O)n(C)c3cc12)C(F)(F)F
BDBM50069071 FC(F)(F)c1cc(=O)[nH]c2cc3N[C@@H]4CCCC[C@@H]4c3cc12
BDBM50067670 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cccc(F)c4)c3c12 |t:1|
BDBM50067671 CC1=CC(C)(C)Nc2ccc3-c4ccccc4O\C(=C/c4cc(F)ccc4F)c3c12 |t:1|
BDBM50067678 C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28|
BDBM50336929 CC[C@@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
BDBM50336930 CC[C@H](C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12 |r|
BDBM50336931 CC(C)n1cc(-c2ccc(C#N)c(F)c2)c2ccc(NS(C)(=O)=O)cc12
BDBM50336932 COc1cc(ccc1C#N)-c1cn(C(C)C)c2cc(NS(C)(=O)=O)ccc12
BDBM50336933 CC(C)n1cc(-c2ccc(C#N)c(C)c2)c2ccc(NS(C)(=O)=O)cc12
BDBM50336934 CC(C)n1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
BDBM50336935 CCn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
BDBM50336936 Cn1cc(-c2ccc(cc2)C#N)c2ccc(NS(C)(=O)=O)cc12
BDBM50336937 COc1ccc(cc1)C(c1c[nH]c2ccccc12)c1ccccc1
BDBM50336997 C[C@H](O)[C@@H](Nc1ccc(C#N)c(Cl)c1C)c1nnc(o1)-c1ccc(cc1)C#N |r|
BDBM50296935 CN1[C@@H]2CC[C@H]3[C@@H]4C[C@@H](Cc5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
BDBM50296936 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
BDBM50296937 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cc(F)cc(F)c5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:31|
BDBM50296938 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
BDBM50296939 C\C=C1/C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:13|
BDBM50296940 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccccn5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
BDBM50296941 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5ccncc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
BDBM50296942 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cccnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
BDBM50296943 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cncnc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:29|
BDBM50296944 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(nc5)C5CC5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:33|
BDBM50296945 COc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18|
BDBM50296946 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(C)nc5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:30|
BDBM50296947 CNc1ncc(\C=C2/C[C@H]3[C@@H]4CC[C@H]5N(C)C(=O)C=C[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2O)cn1 |r,c:18|
BDBM50296948 CN1[C@@H]2CC[C@H]3[C@@H]4C\C(=C/c5cnc(nc5)-c5ccccn5)[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:36|
BDBM50338324 C[C@@H]1[C@@H](O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12 |r,wU:2.2,wD:1.0,(14.53,-20.63,;14.54,-22.18,;15.87,-22.97,;17.22,-22.22,;15.85,-24.51,;15.83,-26.05,;17.38,-24.51,;14.5,-25.26,;13.19,-24.48,;11.84,-25.24,;10.52,-24.45,;9.17,-25.2,;10.55,-22.91,;11.88,-22.15,;11.9,-20.61,;13.21,-22.94,;9.22,-22.12,;7.88,-22.87,;6.56,-22.08,;6.58,-20.54,;7.92,-19.79,;8.26,-18.29,;9.79,-18.15,;10.4,-19.56,;9.24,-20.58,)|
BDBM62850 C(CSc1nc2ccccc2o1)Oc1ccccc1
BDBM50331703 OC1(CCCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F
BDBM50331704 OC1(CCCc2c1[nH]c1c(Cl)cc(F)cc21)C(F)(F)F
BDBM50331705 CC1(O)CCCc2c1[nH]c1cc(Cl)c(Cl)cc21
BDBM50331706 CC1(O)CCCc2c1[nH]c1ccc(cc21)C#N
BDBM50331707 OC1(CCCc2c1[nH]c1ccc(cc21)C#N)C(F)(F)F
BDBM50331708 OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F
BDBM50331709 OC1(CCCc2c1[nH]c1ccc(Cl)c(Cl)c21)C(F)(F)F
BDBM50331710 OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)C(F)(F)F
BDBM50331711 OC1(CCCc2c1[nH]c1ccc(cc21)C#N)C(F)(F)C(F)(F)F
BDBM50331712 OC1(c2[nH]c3c(Cl)cc(Cl)cc3c2CCC1(F)F)C(F)(F)F
BDBM50331713 OC1(CCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F
BDBM50329702 CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
BDBM50329703 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
BDBM50329704 CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1
BDBM50329705 CCC(CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1
BDBM50329706 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
BDBM50329707 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1
BDBM50329708 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCc2ccccc2)c(C)c1 |r|
BDBM50329709 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|
BDBM50329710 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|
BDBM50331695 Oc1cccc2c3cc(Br)ccc3[nH]c12
BDBM50331696 Oc1cccc2c3cc(ccc3[nH]c12)C#N
BDBM50331697 Oc1c(Br)ccc2c1[nH]c1cc(Cl)c(Cl)cc21
BDBM50331698 Oc1cccc2c1[nH]c1ccc(Cl)c(Cl)c21
BDBM50331699 Oc1c(Cc2ccccc2)ccc2c1[nH]c1cc(Cl)c(Cl)cc21
BDBM50331700 Oc1c(Cc2ccccc2)ccc2c1[nH]c1ccc(Cl)c(Cl)c21
BDBM50331701 OC1(CCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F
BDBM50331702 OC1(CCCc2c1[nH]c1c(Cl)ccc(Cl)c21)C(F)(F)F
BDBM50329711 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,TLB:29:30:27.28.33:34,THB:29:28:34:35.30.31,31:30:27:33.32.34,31:32:27:35.29.30|
BDBM50329712 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|
BDBM50329713 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccccc2)c(C)c1 |r|
BDBM50329714 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCc2ccccc2)c(C)c1 |r|
BDBM50329715 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCc2ccccc2)c(C)c1 |r|
BDBM50329716 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(C[C@@H]2O)C(=O)OCc2ccccc2)c(C)c1 |r|
BDBM50329717 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)Cc2ccccc2)c(C)c1 |r|
BDBM50329718 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)CCCCc2ccccc2)c(C)c1 |r|
BDBM50329719 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C23CC4CC(CC(C4)C2)C3)c(C)c1 |r,THB:24:26:29:33.32.31,34:26:29:33.32.31,34:32:26.27.35:29,31:30:27:33.32.34,31:32:27:35.29.30|
BDBM50329720 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(O)C(C)(C)Cc2ccc3ccccc3c2)c(C)c1 |r|
BDBM50329721 CCC(CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(O[C@@H]2CN(Cc3ccccc3)C[C@@H]2O)c(C)c1 |r|
BDBM50331865 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccccc1
BDBM50331866 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(c1)S(N)(=O)=O
BDBM50331867 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(c1)S(N)(=O)=O
BDBM50331868 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cccc(n1)S(N)(=O)=O
BDBM50331869 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cccc(n1)S(N)(=O)=O
BDBM50331870 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccnc(c1)S(N)(=O)=O
BDBM50331871 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1)c1cncc(c1)S(N)(=O)=O
BDBM50331872 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1cncc(c1)S(N)(=O)=O
BDBM50340660 CCO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(18.93,7.26,;17.6,6.5,;17.59,4.96,;16.25,4.2,;16.24,2.67,;17.57,1.88,;18.91,2.64,;17.56,.34,;18.88,1.12,;18.88,-.43,;16.22,-.42,;14.9,.36,;13.57,-.4,;12.25,.37,;10.91,-.39,;12.25,1.91,;13.58,2.68,;13.58,4.21,;14.91,1.9,;10.93,2.69,;10.93,4.23,;9.59,5.01,;8.26,4.23,;8.25,2.69,;7.1,1.66,;5.77,2.43,;7.73,.25,;9.27,.41,;9.59,1.92,)|
BDBM50340661 CO\N=C1/C(O)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(1.85,6.27,;1.84,4.74,;.5,3.98,;.49,2.44,;1.82,1.66,;3.16,2.41,;1.81,.12,;3.13,.9,;3.13,-.65,;.47,-.64,;-.85,.14,;-2.18,-.62,;-3.5,.15,;-4.84,-.61,;-3.5,1.69,;-2.17,2.46,;-2.17,3.99,;-.84,1.68,;-4.82,2.47,;-4.82,4.01,;-6.16,4.79,;-7.49,4.01,;-7.5,2.47,;-8.64,1.44,;-9.98,2.21,;-8.02,.03,;-6.48,.19,;-6.16,1.7,)|
BDBM50340662 Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)CO)c2c1F |(21.47,-47.3,;22.8,-48.07,;23.43,-49.48,;24.97,-49.32,;25.29,-47.81,;26.63,-47.04,;26.63,-45.5,;25.29,-44.72,;23.96,-45.5,;23.95,-47.04,;27.95,-47.82,;27.95,-49.35,;26.61,-50.12,;29.27,-50.12,;30.6,-49.37,;31.92,-50.15,;33.26,-49.39,;34.58,-48.61,;34.58,-50.15,;33.28,-47.85,;31.94,-47.06,;31.95,-45.52,;33.29,-44.77,;33.3,-43.23,;31.97,-42.45,;33.29,-41.69,;34.63,-42.47,;35.96,-43.25,;30.61,-47.83,;29.28,-47.05,;29.28,-45.51,)|
BDBM50340663 CC(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(C)c[nH]c12 |(2.4,-30.12,;1.06,-30.88,;-.26,-30.1,;1.05,-32.41,;-.28,-33.17,;-.29,-34.71,;1.04,-35.49,;1.03,-37.04,;2.35,-36.26,;2.35,-37.8,;-.32,-37.79,;-1.64,-37.01,;-2.97,-37.77,;-4.29,-37,;-5.62,-37.76,;-4.28,-35.46,;-2.96,-34.69,;-2.95,-33.16,;-1.63,-35.47,;-5.61,-34.69,;-5.61,-33.14,;-6.94,-32.37,;-8.27,-33.14,;-8.28,-34.68,;-9.43,-35.71,;-10.77,-34.94,;-8.8,-37.13,;-7.27,-36.96,;-6.94,-35.45,)|
BDBM50340664 CC(C)(C)O\N=C1/CC(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2c(Cl)c[nH]c12 |(33.41,-19.38,;32.08,-20.14,;30.75,-19.36,;32.06,-18.6,;32.07,-21.68,;30.73,-22.44,;30.72,-23.97,;32.06,-24.76,;32.04,-26.3,;33.36,-25.52,;33.36,-27.06,;30.7,-27.06,;29.38,-26.28,;28.05,-27.03,;26.73,-26.26,;25.39,-27.03,;26.73,-24.73,;28.06,-23.96,;28.06,-22.42,;29.39,-24.74,;25.41,-23.95,;25.41,-22.41,;24.07,-21.63,;22.74,-22.41,;22.73,-23.95,;21.58,-24.98,;20.25,-24.21,;22.21,-26.39,;23.75,-26.23,;24.07,-24.72,)|
BDBM50340665 Cc1c[nH]c2c(cccc12)-c1c(F)cc2NC(C)(C)C\C(=N/OC(C)(C)C)c2c1F |(3.75,-23.11,;5.09,-23.89,;5.72,-25.3,;7.25,-25.14,;7.58,-23.63,;8.91,-22.86,;8.91,-21.31,;7.58,-20.54,;6.25,-21.31,;6.24,-22.85,;10.24,-23.63,;10.23,-25.17,;8.9,-25.94,;11.55,-25.94,;12.88,-25.19,;14.21,-25.96,;15.55,-25.21,;16.87,-24.43,;16.87,-25.97,;15.56,-23.67,;14.23,-22.88,;14.24,-21.34,;15.58,-20.58,;15.58,-19.05,;16.92,-18.29,;14.26,-18.27,;15.57,-17.51,;12.9,-23.64,;11.57,-22.87,;11.57,-21.33,)|
BDBM79904 Cc1cccc(OCCSc2nc3ccccc3n2CCC(O)=O)c1
BDBM79905 OC(=O)CCn1c(SCCOc2ccccc2)nc2ccccc12
BDBM50321205 COc1cc(cc(OC)c1OC)C(CC(=O)c1ccc(C)cc1)Nc1ccc(cc1)[N+]([O-])=O
BDBM50321206 COc1cc(cc(OC)c1OC)C(CC(=O)c1cccc(C)c1)Nc1ccc(cc1)[N+]([O-])=O
BDBM50321207 COc1cc(cc(OC)c1OC)C(CC(=O)c1cccc(F)c1)Nc1ccc(cc1)[N+]([O-])=O
BDBM50321208 Cc1cccc(c1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1
BDBM50321209 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(F)c2)c2cccc(F)c2)cc1
BDBM50321210 [O-][N+](=O)c1ccc(NC(CC(=O)c2cccc(Br)c2)c2cccc(F)c2)cc1
BDBM50321211 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)c(Cl)c2)C2CCCCC2)cc1
BDBM50321212 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccccc2)C2CCCCC2)cc1
BDBM50321213 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)-c2ccccc2)C2CCCCC2)cc1
BDBM50321214 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(cc2)C2CCCCC2)C2CCCCC2)cc1
BDBM50321215 Cc1ccc(cc1)C(=O)CC(Nc1cccc(c1)[N+]([O-])=O)c1cccc(F)c1
BDBM50321216 Cc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)C(F)(F)F)c1cccc(F)c1
BDBM50321217 Cc1ccc(cc1)C(=O)CC(Nc1ccc(F)cc1)c1cccc(F)c1
BDBM50321218 Cc1ccc(cc1)C(=O)CC(Nc1ccc(F)c(F)c1)c1cccc(F)c1
BDBM50321219 [O-][N+](=O)c1ccc(NC(CC(=O)c2ccc(Cl)cc2)c2ccco2)cc1
BDBM50296932 CN1[C@@H]2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)C=CC1=O |r,c:21|
BDBM50296933 C[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:12|
BDBM50296934 COC[C@@H]1C[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C=C[C@]4(C)[C@H]3CC[C@]2(C)[C@H]1O |r,c:14|
BDBM50321220 Cc1ccc(cc1)C(=O)C[C@@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r|
BDBM50321221 Cc1ccc(cc1)C(=O)C[C@H](Nc1ccc(cc1)[N+]([O-])=O)c1cccc(F)c1 |r|
BDBM50296860 COc1ccc2OC(CC(=O)c2c1)c1ccccc1
BDBM50296861 Oc1ccc2OC(CC(=O)c2c1)c1ccccc1
BDBM50296862 COc1cccc2oc(cc(=O)c12)-c1ccccc1
BDBM50264311 Cn1c(ccc1-c1ccc2NC(=O)COC(C)(c3ccco3)c2c1)C#N
BDBM50303807 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccccn1 |r,t:7|
BDBM50303808 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1cccnc1 |r,t:7|
BDBM50303809 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccncc1 |r,t:7|
BDBM50303810 Cc1ccsc1[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
BDBM50303811 Cc1ccc(s1)[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
BDBM50303812 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccc(Cl)s1 |r,t:7|
BDBM50303813 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1ccsc1 |r,t:7|
BDBM50303814 C[C@](O)([C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1)c1nccs1 |r,t:7|
BDBM50303815 C[C@@](O)(CC=C)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:10|
BDBM50303816 CCCC[C@@](C)(O)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|
BDBM50303817 C[C@@](O)(CCc1ccccc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
BDBM50303818 C[C@@](O)(Cc1ccc(F)cc1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:16|
BDBM50303819 C[C@@](O)(C1CC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:11|
BDBM50303820 C[C@@](O)(C1CCCCC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
BDBM50303821 C[C@@](O)(C1CCOCC1)[C@H]1CCCC2=Cc3c(ncn3C[C@]12C)-c1ccc(F)cc1 |r,t:14|
BDBM50327040 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1 |r,c:27,t:8|
BDBM50327041 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@]1(C)CC=CC(=O)N1 |r,c:27,t:7|
BDBM50327042 C[C@]12CC[C@H]3[C@@H](CC=C4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@]1(C)CC=CC(=O)N1 |r,c:27,t:7|
BDBM50252079 CCN(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1
BDBM50252080 CC(C)N(c1cc(C(=O)N2CCCC2)n(C)c1)c1cc(C)cc(C)c1
BDBM50327043 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2[C@@]1(C)CC=CC(=O)N1 |r,c:27,t:7|
BDBM50363350 CC1(C)CN(Cc2nnc(o2)-c2ccccc2)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50363351 Cc1nnc(CN2CC(C)(C)[C@@H](Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1 |r|
BDBM50363352 CC1(C)CNC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50363353 CC(=O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50363354 CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50363355 CC1(C)CN(CCO)C(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50363356 CC(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50363357 CC(C)(CO)N1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50363358 CC(O)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50363359 CC(CO)CN1CC(C)(C)[C@@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O |r|
BDBM50363360 CC1(C)CN(CCC#N)C(=O)[C@@H]1Oc1ccc(C#N)c(Cl)c1 |r|
BDBM50366206 Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(cc1)C#N
BDBM50366207 Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
BDBM50366208 Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50366209 Cc1nn(c(C)c1Cc1ccc(F)cc1)-c1ccc(cc1Cl)C#N
BDBM50366210 Cc1nn(c(C)c1Oc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
BDBM50366211 Cc1nn(c(C)c1-c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
BDBM50366212 Cc1nn(c(C)c1CCc1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
BDBM50366213 Cc1nn(c(C)c1C(O)c1ccc(F)cc1)-c1ccc(C#N)c(Cl)c1
BDBM50366214 Cc1nn(c(C)c1Cc1ccccc1C(N)=O)-c1ccc(C#N)c(Cl)c1
BDBM50366215 Cc1nn(c(C)c1Cc1cccc(c1)C(N)=O)-c1ccc(C#N)c(Cl)c1
BDBM50366216 Cc1nn(c(C)c1Cc1ccc(cc1)C(N)=O)-c1ccc(C#N)c(Cl)c1
BDBM50366217 CNC(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1
BDBM50366218 CN(C)C(=O)c1ccc(Cc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cc1
BDBM50366219 Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NC(C)(C)C)-c1ccc(C#N)c(Cl)c1
BDBM50366220 Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCCO)-c1ccc(C#N)c(Cl)c1
BDBM50366221 Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1
BDBM50366222 Cc1nn(c(C)c1Cc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1
BDBM50366223 Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)NCC(C)(C)O)-c1ccc(C#N)c(Cl)c1
BDBM50366224 Cc1nn(c(C)c1Oc1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(C#N)c(Cl)c1
BDBM50366225 CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)nc1
BDBM50366226 Cc1nn(c(C)c1Oc1ccc(NC(=O)C(C)(C)C)cn1)-c1ccc(C#N)c(Cl)c1
BDBM50366227 CC(=O)Nc1ccc(Oc2c(C)nn(c2C)-c2ccc(C#N)c(Cl)c2)cn1
BDBM50363349 CC(N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O)c1nnc(o1)-c1cccc(F)c1
BDBM50359004 OC(=O)c1cccc(CSc2ccc(Cl)cc2Cl)c1
BDBM50359005 Cc1ccc(OCCn2c(SCCC(O)=O)nc3ccccc23)cc1
BDBM50359006 Cc1ccc(OCCn2c(SCCOc3ccccc3)nc3ccccc23)cc1
BDBM50359007 COC(=O)c1ccc(cc1)[C@H]1Nc2ccc(cc2[C@H]2C=CC[C@@H]12)C(C)=O |r,c:21|
BDBM50359008 CCOC(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@@H]3c2c1)c1ccccc1 |r,c:13|
BDBM50359009 NS(=O)(=O)c1ccc2N[C@@H]([C@H]3CC=C[C@H]3c2c1)c1ccc(Br)cc1 |r,c:12|
BDBM50359011 Cc1cc(\C=C\C(O)=O)c(C)n1-c1ccc2OCOc2c1
BDBM50359640 O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1c1ccccc1 |t:13|
BDBM50359641 Fc1ccccc1C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
BDBM50359642 Fc1cccc(c1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
BDBM50359643 Fc1ccc(cc1)C1Sc2nncn2N=C1c1ccc2OCC(=O)Nc2c1 |c:16|
BDBM50359644 O=C1COc2ccc(cc2N1)C1=Nn2ccnc2SC1c1ccccc1 |t:13|
BDBM50359645 O=C1COc2ccc(cc2N1)C1=Nc2ccccc2SC1c1ccccc1 |t:13|
BDBM50359646 Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccccc1
BDBM50359647 Cc1cc(-c2ccc3OCC(=O)Nc3c2)n(n1)-c1ccc(F)cc1
BDBM50359648 Cc1ccccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359649 Cc1cc(F)ccc1-n1nc(cc1-c1ccc2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359650 Cc1cc(F)ccc1-n1nc(cc1-c1cc(F)c2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359651 Cc1cc(F)ccc1-n1nc(cc1-c1cc(Cl)c2OCC(=O)Nc2c1)C(F)(F)F
BDBM50359652 Cc1cc(cc2NC(=O)COc12)-c1cc(nn1-c1ccc(F)cc1C)C(F)(F)F
BDBM50359653 O=C1COc2ccc(cc2N1)C1=Nn2cnnc2SC1 |t:13|
BDBM50345227 C[C@](O)(CS(=O)(=O)c1cccc2ccccc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50345228 C[C@](O)(CS(=O)(=O)c1ccccc1Cc1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50345229 C[C@](O)(CS(=O)(=O)c1ccccc1-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50356979 CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(c2)C#N)C1(C)C |r,wU:4.3,wD:8.8,(-1.54,-7.24,;-2.89,-6.5,;-4.21,-7.3,;-2.92,-4.96,;-4.27,-4.22,;-5.81,-4.22,;-6.22,-5.69,;-7.31,-4.6,;-5.81,-2.67,;-7.14,-1.9,;-7.14,-.36,;-8.47,.4,;-8.47,1.94,;-7.13,2.71,;-7.12,4.26,;-7.11,5.79,;-5.79,1.94,;-5.8,.4,;-4.45,2.7,;-3.12,3.47,;-4.27,-2.68,;-3.88,-1.17,;-2.79,-3.06,)|
BDBM50356980 CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:4.3,wD:8.8,(9.36,-7.82,;8.01,-7.08,;6.7,-7.87,;7.98,-5.54,;6.63,-4.79,;5.09,-4.79,;4.68,-6.27,;3.59,-5.18,;5.1,-3.25,;3.77,-2.48,;3.77,-.94,;2.44,-.17,;2.44,1.36,;3.78,2.14,;3.79,3.68,;3.79,5.21,;5.11,1.36,;6.45,2.13,;5.11,-.18,;6.63,-3.25,;7.02,-1.75,;8.11,-3.64,)|
BDBM50356981 CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)c2)C1(C)C |r,wU:4.3,wD:8.8,(19.82,-7.76,;18.47,-7.01,;17.15,-7.81,;18.44,-5.47,;17.09,-4.73,;15.55,-4.73,;15.14,-6.21,;14.05,-5.12,;15.55,-3.19,;14.22,-2.41,;14.22,-.87,;12.89,-.11,;12.89,1.43,;14.23,2.2,;14.24,3.74,;14.24,5.27,;15.56,1.42,;16.9,2.19,;15.56,-.11,;17.09,-3.19,;17.48,-1.69,;18.57,-3.58,)|
BDBM50356982 CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(c2)C(F)(F)F)C1(C)C |r,wU:4.3,wD:8.8,(30.13,-7.85,;28.78,-7.11,;27.46,-7.9,;28.75,-5.57,;27.4,-4.82,;25.86,-4.82,;25.45,-6.3,;24.36,-5.21,;25.86,-3.28,;24.53,-2.51,;24.54,-.97,;23.21,-.2,;23.2,1.33,;24.54,2.11,;24.55,3.65,;24.56,5.17,;25.88,1.33,;25.87,-.21,;27.21,2.1,;28.54,1.32,;27.22,3.64,;28.54,2.88,;27.4,-3.28,;27.79,-1.78,;28.88,-3.67,)|
BDBM50356983 CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(cc2Cl)C#N)C1(C)C |r,wU:4.3,wD:8.8,(43.08,-6.9,;41.73,-6.16,;40.41,-6.95,;41.7,-4.62,;40.35,-3.87,;38.81,-3.87,;38.4,-5.35,;37.31,-4.26,;38.82,-2.33,;37.48,-1.56,;37.49,-.02,;38.82,.74,;38.83,2.28,;37.5,3.06,;36.16,2.28,;36.16,.74,;34.83,-.03,;37.51,4.59,;37.51,6.12,;40.35,-2.33,;40.74,-.83,;41.83,-2.72,)|
BDBM50356984 CC(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(C)n2)C1(C)C |r,wU:4.3,wD:8.8,(-3.5,-22.05,;-4.84,-21.31,;-6.16,-22.11,;-4.87,-19.77,;-6.22,-19.03,;-7.76,-19.03,;-8.18,-20.5,;-9.26,-19.41,;-7.76,-17.48,;-9.09,-16.71,;-9.09,-15.17,;-10.42,-14.41,;-10.42,-12.87,;-9.08,-12.1,;-9.07,-10.56,;-9.07,-9.03,;-7.75,-12.87,;-6.41,-12.11,;-7.75,-14.41,;-6.22,-17.49,;-5.83,-15.98,;-4.74,-17.87,)|
BDBM50356985 CC1(C)[C@H](NC(=O)c2cnccn2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:16.18,(2.03,-20.07,;2.44,-18.6,;.94,-18.99,;3.98,-18.6,;5.33,-19.34,;5.36,-20.88,;4.04,-21.68,;6.71,-21.62,;6.73,-23.16,;8.08,-23.91,;9.4,-23.11,;9.36,-21.56,;8.01,-20.83,;3.98,-17.06,;4.37,-15.56,;5.46,-17.45,;2.44,-17.05,;1.11,-16.28,;1.12,-14.74,;-.21,-13.98,;-.21,-12.44,;1.13,-11.67,;1.13,-10.13,;1.14,-8.6,;2.46,-12.44,;3.79,-11.68,;2.45,-13.98,)|
BDBM50356986 CC1(C)[C@H](NC(=O)c2ccn[nH]2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:15.17,(11.11,-20.91,;11.53,-19.43,;10.03,-19.82,;13.07,-19.43,;14.42,-20.17,;14.45,-21.71,;13.13,-22.51,;15.79,-22.46,;15.81,-23.99,;17.28,-24.45,;18.17,-23.2,;17.26,-21.96,;13.07,-17.89,;13.46,-16.39,;14.54,-18.28,;11.53,-17.89,;10.2,-17.11,;10.2,-15.57,;8.87,-14.81,;8.87,-13.27,;10.21,-12.5,;10.22,-10.96,;10.22,-9.43,;11.54,-13.28,;12.88,-12.51,;11.54,-14.81,)|
BDBM50356987 CC1(C)[C@H](NC(=O)c2cn[nH]c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:15.17,(20.6,-21.31,;21.02,-19.83,;19.51,-20.22,;22.56,-19.83,;23.9,-20.58,;23.93,-22.12,;22.62,-22.91,;25.28,-22.86,;25.3,-24.4,;26.77,-24.86,;27.66,-23.6,;26.74,-22.36,;22.56,-18.29,;22.94,-16.79,;24.03,-18.68,;21.02,-18.29,;19.69,-17.52,;19.69,-15.98,;18.36,-15.22,;18.36,-13.68,;19.7,-12.91,;19.71,-11.37,;19.71,-9.84,;21.03,-13.68,;22.37,-12.91,;21.03,-15.22,)|
BDBM50360426 CCOC(=O)c1c(C)[nH]c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50360427 CCOC(=O)c1c(C)n(C)c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50360428 CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)-c1ccccc1
BDBM50360429 CCOC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50356988 Cn1cc(cn1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:9.9,wD:13.14,(37.34,-24.69,;35.8,-24.71,;34.88,-23.47,;33.42,-23.97,;33.44,-25.5,;34.91,-25.96,;32.07,-23.22,;30.75,-24.02,;32.04,-21.68,;30.69,-20.94,;29.15,-20.94,;28.74,-22.42,;27.65,-21.33,;29.16,-19.4,;27.82,-18.62,;27.83,-17.08,;26.5,-16.32,;26.5,-14.78,;27.84,-14.01,;27.85,-12.47,;27.85,-10.94,;29.17,-14.79,;30.51,-14.02,;29.16,-16.32,;30.69,-19.4,;31.08,-17.9,;32.17,-19.79,)|
BDBM50356989 Cc1cc(nn1C)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:10.10,wD:14.15,(44.07,-26.91,;43.58,-25.45,;42.11,-24.99,;42.09,-23.45,;43.55,-22.96,;44.47,-24.19,;46.01,-24.17,;40.74,-22.71,;39.42,-23.5,;40.71,-21.17,;39.36,-20.42,;37.82,-20.42,;37.41,-21.9,;36.32,-20.81,;37.83,-18.88,;36.49,-18.11,;36.5,-16.57,;35.17,-15.81,;35.17,-14.27,;36.51,-13.5,;36.52,-11.96,;36.52,-10.43,;37.84,-14.27,;39.18,-13.51,;37.83,-15.81,;39.36,-18.88,;39.75,-17.38,;40.84,-19.27,)|
BDBM50356990 Cc1nnc(o1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:9.9,wD:13.14,(2.34,-36.66,;.8,-36.67,;-.09,-37.93,;-1.56,-37.47,;-1.58,-35.94,;-.12,-35.44,;-2.93,-35.19,;-4.25,-35.99,;-2.96,-33.65,;-4.31,-32.91,;-5.85,-32.91,;-6.26,-34.39,;-7.35,-33.3,;-5.85,-31.37,;-7.18,-30.59,;-7.17,-29.05,;-8.5,-28.29,;-8.51,-26.75,;-7.17,-25.98,;-7.16,-24.44,;-7.15,-22.91,;-5.83,-26.75,;-4.5,-25.99,;-5.84,-28.29,;-4.31,-31.37,;-3.92,-29.87,;-2.83,-31.76,)|
BDBM50356991 CC1(C)[C@H](NC(=O)c2cnc3ncccn23)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:19.22,(4.89,-35.35,;5.3,-33.87,;3.8,-34.26,;6.84,-33.87,;8.19,-34.61,;8.22,-36.15,;6.91,-36.95,;9.57,-36.9,;9.76,-38.42,;11.28,-38.71,;12.02,-37.36,;13.51,-37.02,;13.97,-35.55,;12.92,-34.42,;11.41,-34.77,;10.97,-36.24,;6.84,-32.33,;7.23,-30.83,;8.32,-32.72,;5.31,-32.33,;3.98,-31.55,;3.98,-30.01,;2.65,-29.25,;2.65,-27.71,;3.99,-26.94,;4,-25.4,;4,-23.87,;5.32,-27.71,;6.66,-26.95,;5.32,-29.25,)|
BDBM50356992 Cc1nc2ncccn2c1C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:13.14,wD:17.19,(22.86,-40.64,;23.98,-39.59,;25.49,-39.88,;26.24,-38.53,;27.73,-38.19,;28.18,-36.72,;27.13,-35.59,;25.63,-35.94,;25.19,-37.41,;23.79,-38.07,;22.44,-37.32,;21.12,-38.12,;22.41,-35.78,;21.06,-35.04,;19.52,-35.04,;19.11,-36.52,;18.02,-35.43,;19.52,-33.5,;18.19,-32.72,;18.2,-31.18,;16.87,-30.42,;16.87,-28.88,;18.21,-28.11,;18.21,-26.57,;18.22,-25.04,;19.54,-28.89,;20.87,-28.12,;19.53,-30.42,;21.06,-33.5,;21.45,-32,;22.54,-33.89,)|
BDBM50356993 COCCn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:12.12,wD:16.17,(43.88,-41.99,;43.1,-40.67,;41.56,-40.68,;40.78,-39.36,;39.24,-39.37,;38.34,-40.63,;36.87,-40.17,;36.86,-38.63,;38.32,-38.14,;35.51,-37.89,;34.19,-38.69,;35.48,-36.35,;34.13,-35.61,;32.59,-35.61,;32.18,-37.08,;31.09,-36,;32.59,-34.06,;31.26,-33.29,;31.26,-31.75,;29.93,-30.99,;29.93,-29.45,;31.27,-28.68,;31.28,-27.14,;31.28,-25.61,;32.6,-29.45,;33.94,-28.69,;32.6,-30.99,;34.13,-34.07,;34.52,-32.57,;35.61,-34.46,)|
BDBM50356994 CC1(C)[C@H](NC(=O)c2ccn(CCO)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:18.20,(-6.58,-47.2,;-6.17,-45.72,;-7.67,-46.11,;-4.63,-45.72,;-3.28,-46.46,;-3.25,-48,;-4.57,-48.8,;-1.9,-48.75,;-1.88,-50.28,;-.41,-50.74,;.48,-49.48,;2.02,-49.47,;2.8,-50.79,;4.34,-50.78,;-.44,-48.25,;-4.63,-44.18,;-4.24,-42.68,;-3.15,-44.57,;-6.17,-44.18,;-7.5,-43.4,;-7.49,-41.86,;-8.82,-41.1,;-8.82,-39.56,;-7.48,-38.79,;-7.48,-37.25,;-7.47,-35.72,;-6.15,-39.56,;-4.82,-38.8,;-6.16,-41.1,)|
BDBM50356995 CC1(C)[C@H](NC(=O)c2cnn(CCO)c2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:18.20,(6.41,-47.96,;6.82,-46.48,;5.32,-46.87,;8.36,-46.48,;9.71,-47.22,;9.74,-48.76,;8.42,-49.56,;11.09,-49.51,;11.11,-51.04,;12.58,-51.5,;13.47,-50.25,;15.01,-50.23,;15.79,-51.56,;17.33,-51.54,;12.55,-49.01,;8.36,-44.94,;8.75,-43.44,;9.84,-45.33,;6.82,-44.94,;5.49,-44.16,;5.5,-42.62,;4.17,-41.86,;4.16,-40.33,;5.5,-39.55,;5.51,-38.01,;5.52,-36.48,;6.84,-40.33,;8.17,-39.56,;6.83,-41.87,)|
BDBM50356996 CC1(C)[C@H](NC(=O)c2ccn(CCC#N)n2)C(C)(C)[C@H]1Oc1ccc(C#N)c(Cl)c1 |r,wU:3.3,wD:19.21,(16.79,-47.6,;17.21,-46.12,;15.7,-46.51,;18.75,-46.12,;20.09,-46.86,;20.12,-48.4,;18.81,-49.2,;21.47,-49.15,;21.49,-50.68,;22.96,-51.14,;23.85,-49.88,;25.39,-49.87,;26.18,-51.19,;27.72,-51.18,;29.25,-51.16,;22.93,-48.65,;18.75,-44.58,;19.13,-43.08,;20.22,-44.97,;17.21,-44.58,;15.88,-43.8,;15.88,-42.26,;14.55,-41.5,;14.55,-39.96,;15.89,-39.19,;15.9,-37.65,;15.9,-36.12,;17.22,-39.96,;18.56,-39.2,;17.22,-41.5,)|
BDBM50356997 CNC(=O)Cn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:13.13,wD:17.18,(4.4,-9.25,;3.62,-7.92,;2.08,-7.94,;1.32,-9.28,;1.3,-6.61,;-.24,-6.63,;-1.14,-7.88,;-2.61,-7.42,;-2.62,-5.89,;-1.16,-5.39,;-3.97,-5.15,;-5.29,-5.94,;-4,-3.61,;-5.35,-2.86,;-6.89,-2.86,;-7.3,-4.34,;-8.39,-3.25,;-6.89,-1.32,;-8.22,-.55,;-8.22,.99,;-9.55,1.76,;-9.55,3.29,;-8.21,4.07,;-8.2,5.61,;-8.2,7.13,;-6.88,3.29,;-5.54,4.06,;-6.88,1.75,;-5.35,-1.32,;-4.96,.18,;-3.87,-1.71,)|
BDBM50356998 CN(C)C(=O)Cn1ccc(n1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:14.14,wD:18.19,(20.82,-9.72,;20.04,-8.4,;20.79,-7.05,;18.5,-8.41,;17.74,-9.75,;17.71,-7.09,;16.17,-7.1,;15.28,-8.36,;13.81,-7.9,;13.79,-6.36,;15.26,-5.87,;12.45,-5.62,;11.13,-6.42,;12.42,-4.08,;11.07,-3.34,;9.53,-3.34,;9.12,-4.81,;8.03,-3.73,;9.53,-1.79,;8.2,-1.02,;8.2,.52,;6.87,1.28,;6.87,2.82,;8.21,3.59,;8.22,5.13,;8.22,6.66,;9.54,2.82,;10.88,3.58,;9.54,1.28,;11.07,-1.8,;11.46,-.3,;12.55,-2.19,)|
BDBM50356999 Cc1nc(O[C@H]2C(C)(C)[C@H](NC(=O)c3cnc4ncccn34)C2(C)C)ccc1C#N |r,wU:9.9,wD:5.4,(28.73,2.19,;27.4,1.42,;27.39,-.11,;26.05,-.87,;26.05,-2.41,;27.38,-3.19,;27.38,-4.73,;26.97,-6.21,;25.88,-5.12,;28.92,-4.73,;30.27,-5.47,;30.3,-7.01,;28.98,-7.81,;31.65,-7.76,;31.84,-9.28,;33.35,-9.57,;34.09,-8.22,;35.59,-7.88,;36.04,-6.41,;34.99,-5.28,;33.49,-5.63,;33.04,-7.1,;28.92,-3.19,;29.31,-1.69,;30.4,-3.58,;24.72,-.11,;24.72,1.43,;26.06,2.2,;26.07,3.74,;26.08,5.27,)|
BDBM50360430 CCOC(=O)c1c(C)n(CC2CCCCC2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50360431 CCOC(=O)c1c(C)n(CCc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50360432 CCOC(=O)c1c(C)n(C(=O)c2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50360433 CCOC(=O)c1c(C)n(c(C)c1-c1ccc(cc1)[N+]([O-])=O)S(=O)(=O)c1ccccc1
BDBM50360434 COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50360435 Cc1c(C(O)=O)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
BDBM50360436 Cc1c(CO)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
BDBM50360437 CC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)[N+]([O-])=O
BDBM50360438 Cc1cc(c(C)n1Cc1ccccc1)-c1ccc(cc1)[N+]([O-])=O
BDBM50360439 COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccccc1
BDBM50360440 COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(cc1)C#N
BDBM50360441 COC(=O)c1c(C)n(Cc2ccccc2)c(C)c1-c1ccc(C#N)c(c1)C(F)(F)F
BDBM50360442 Cc1c(C#N)c(c(C)n1Cc1ccccc1)-c1ccc(cc1)C#N
BDBM50360443 Cc1c(C#N)c(c(C)n1Cc1cccnc1)-c1ccc(cc1)C#N
BDBM50360444 Cc1c(C#N)c(c(C)n1Cc1ccc(Cl)nc1)-c1ccc(cc1)C#N
BDBM50360445 Cc1c(C#N)c(c(C)n1Cc1cncc(CO)c1)-c1ccc(cc1)C#N
BDBM50360446 Cc1c(C#N)c(c(C)n1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
BDBM50360447 Cc1c(c(cn1Cc1cnc(Cl)c(CO)c1)C#N)-c1ccc(cc1)C#N
BDBM50360448 Cc1c(C#N)c(cn1Cc1cnc(Cl)c(CO)c1)-c1ccc(cc1)C#N
BDBM50355730 CCN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
BDBM50355740 CN(C)C(=O)c1ccc(cc1F)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
BDBM50355745 CCCc1ccc(cc1)-c1ccc2[C@@H](c3ccccc3Oc2n1)C(C)(C)C(=O)Nc1nncs1 |r|
BDBM50355216 CCN(CC)c1cc2oc(=O)ccc2cc1-c1ccccc1
BDBM50355239 CCN(CC)c1cc2oc(=O)ccc2cc1-c1cccs1
BDBM50348414 CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nccs1 |r|
BDBM50348415 CC(C)([C@H]1c2ccccc2Oc2cc(O)ccc12)C(=O)Nc1nncs1 |r|
BDBM50353536 CCCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353537 CCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353538 CC1(C)CN(Cc2cccc(O)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353539 CC1(C)CN(Cc2ccccc2O)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353540 CC1(C)CN(Cc2ccc(O)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353541 CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353542 CCC(C)N1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353543 CC1(C)CN(Cc2noc(n2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353544 CC1(C)COC(=O)[C@@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50353545 CC1(C)CN(Cc2nc3ccccc3s2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353546 CC1(C)CN(Cc2cccc(F)c2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353547 CC1(C)CN(Cc2nc(no2)-c2ccccc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353548 CC1(C)CN(Cc2ccncc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353549 COC(=O)c1csc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)n1
BDBM50353550 CC1(C)CNC(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353551 CCOC(=O)c1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)o1
BDBM50353552 COc1cccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)c1
BDBM50353553 CC1(C)CN(Cc2ccc(F)cc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353554 CCCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353555 COc1ccccc1CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353556 Cc1nc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cs1
BDBM50353557 CCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353558 CCC(CC)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353559 COC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353560 COCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353561 CC1(C)CN(CCCO)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353562 CCCCCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353563 CC1(C)CN(Cc2ccccn2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353564 CC(C)CCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353565 CC1(C)CN(Cc2cccnc2)C(=O)C1Oc1ccc(C#N)c(c1)C(F)(F)F
BDBM50353566 CC1(C)COC(=O)[C@H]1Oc1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50353567 CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353568 COCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353569 CSCCN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353570 COc1ccc(CN2CC(C)(C)C(Oc3ccc(C#N)c(c3)C(F)(F)F)C2=O)cc1
BDBM50353571 CCOC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50353572 CCNC(=O)CN1CC(C)(C)C(Oc2ccc(C#N)c(c2)C(F)(F)F)C1=O
BDBM50367916 C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@]12C |r,c:16,19,t:9|
BDBM50353033 Oc1ccc(cc1)C1Nc2cccc3cccc(N1)c23
BDBM50353034 COc1cc(ccc1O)C1Nc2cccc3cccc(N1)c23
BDBM50353035 COc1ccc(cc1O)C1Nc2cccc3cccc(N1)c23
BDBM50353036 Oc1ccc(cc1O)C1Nc2cccc3cccc(N1)c23
BDBM50353037 Cc1[nH]n(-c2ccccc2)c(=O)c1N=Nc1ccc(C(O)=O)c(O)c1 |w:14.16|
BDBM50348401 CC(C)([C@@H](c1ccccc1)c1ccc(O)cc1)C(=O)Nc1nccs1 |r|
BDBM50348405 CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nccs1 |r|
BDBM50348407 CC(C)([C@@H](c1ccccc1)c1ccc(O)c(Br)c1)C(=O)Nc1nccs1 |r|
BDBM50348408 CC(C)([C@@H](c1ccccc1)c1ccc(O)c(c1)C#N)C(=O)Nc1nccs1 |r|
BDBM50348411 CC(C)([C@@H](c1ccccc1)c1ccc(O)c(F)c1)C(=O)Nc1nncs1 |r|
BDBM50348413 Cc1cc(ccc1O)[C@H](c1ccccc1)C(C)(C)C(=O)Nc1nncs1 |r|
BDBM50366558 CN(C)c1ccc(cc1)[C@H]1C[C@]2(C)[C@@H](CC[C@]2(O)CCCO)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:27,34|
BDBM50382163 OC(=O)c1cccc(Nc2ccc([N+]([O-])=O)c3ccccc23)c1
BDBM50372078 CC12C[C@@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:8.14,THB:12:14:7:2.3,9:8:7:2.3|
BDBM50372079 CC12C[C@H](O)C(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |TLB:4:3:7:14.8,THB:9:8:7:3.2,12:14:7:3.2|
BDBM50372080 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc([N+]([O-])=O)c2c(Br)cccc12 |THB:11:13:6:2.3,8:7:6:2.3,(31.1,-48.31,;29.77,-49.09,;30.66,-50.4,;29.75,-51.15,;28.88,-50.05,;28.17,-51.42,;30.11,-47.72,;27.39,-50.08,;26.35,-49.32,;25.12,-49.71,;26.75,-48.09,;28.05,-48.09,;28.69,-46.97,;28.44,-49.33,;25.41,-47.32,;25.4,-45.77,;24.06,-44.99,;22.74,-45.77,;21.39,-45.01,;21.39,-43.46,;20.06,-45.78,;22.74,-47.32,;21.41,-48.09,;20.07,-47.32,;21.41,-49.64,;22.75,-50.4,;24.08,-49.63,;24.07,-48.09,)|
BDBM50372081 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)n2nccc12 |THB:11:13:6:2.3,8:7:6:2.3,(29.8,-48.84,;28.47,-49.62,;29.36,-50.93,;28.45,-51.68,;27.58,-50.57,;26.88,-51.94,;28.81,-48.25,;26.1,-50.61,;25.06,-49.84,;23.83,-50.24,;25.46,-48.62,;26.76,-48.62,;27.39,-47.5,;27.15,-49.85,;24.13,-47.85,;22.79,-48.62,;21.45,-47.85,;21.45,-46.31,;20.12,-45.55,;18.78,-44.79,;22.77,-45.53,;23.1,-44.01,;24.64,-43.86,;25.27,-45.27,;24.11,-46.3,)|
BDBM50372082 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c2nsnc12 |THB:11:13:6:2.3,8:7:6:2.3,(28.74,-48.8,;27.41,-49.58,;28.3,-50.89,;27.39,-51.64,;26.52,-50.54,;25.81,-51.91,;27.75,-48.2,;25.03,-50.57,;23.98,-49.8,;22.75,-50.2,;24.39,-48.57,;25.69,-48.58,;26.33,-47.45,;26.08,-49.81,;23.05,-47.8,;21.7,-48.58,;20.36,-47.8,;20.37,-46.25,;19.03,-45.49,;17.68,-44.73,;21.69,-45.47,;22.02,-43.95,;23.56,-43.79,;24.19,-45.21,;23.04,-46.25,)|
BDBM50372083 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2nccn12 |THB:11:13:6:2.3,8:7:6:2.3,(28.01,-48.56,;26.67,-49.34,;27.57,-50.65,;26.65,-51.4,;25.78,-50.29,;25.08,-51.67,;27.02,-47.96,;24.29,-50.33,;23.24,-49.56,;22.24,-49.9,;23.65,-48.33,;24.95,-48.33,;25.59,-47.2,;25.35,-49.57,;22.31,-47.56,;20.96,-48.33,;20.96,-49.88,;19.62,-47.56,;19.62,-46.01,;20.95,-45.22,;21.27,-43.7,;22.82,-43.54,;23.45,-44.96,;22.29,-46,)|
BDBM50372084 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1c(N)ccc2ncsc12 |THB:11:13:6:2.3,8:7:6:2.3,(43.68,-48.16,;42.36,-48.94,;43.25,-50.24,;42.34,-50.99,;41.47,-49.89,;40.77,-51.26,;42.7,-47.56,;39.99,-49.92,;38.94,-49.16,;38.06,-49.55,;39.35,-47.93,;40.64,-47.94,;41.28,-46.81,;41.04,-49.17,;38.01,-47.17,;36.67,-47.94,;36.67,-49.48,;35.34,-47.17,;35.34,-45.62,;36.66,-44.84,;36.98,-43.33,;38.52,-43.17,;39.15,-44.59,;38,-45.62,)|
BDBM50372085 COc1cc(ccc1-c1cnco1)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:14:16:26:23.22,18:17:26:23.22|
BDBM50372086 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cnc(C#N)c(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3|
BDBM50372087 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |THB:11:13:6:2.3,8:7:6:2.3|
BDBM50372088 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cc(Cl)cc(Cl)c1 |THB:11:13:6:2.3,8:7:6:2.3|
BDBM50372089 CSc1cc(ccc1C#N)-n1c(O)c2c(c1O)C1(C)CCC2(C)O1 |THB:11:13:23:20.19,15:14:23:20.19|
BDBM50372090 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(I)c1 |THB:11:13:6:2.3,8:7:6:2.3|
BDBM50372091 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1ccc(C#N)c(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3|
BDBM50372092 CC12CCC(C)(O1)c1c(O)n(c(O)c21)-c1cccc(c1)C(F)(F)F |THB:11:13:6:2.3,8:7:6:2.3|
BDBM50372093 CC12CCC(O1)c1c(O)n(c(O)c21)-c1cccc(c1)C(F)(F)F |THB:10:12:5:2.3,7:6:5:2.3|
BDBM50372094 Oc1c2C3CCC(O3)c2c(O)n1-c1cccc(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4|
BDBM50372095 Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(C#N)c(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4|
BDBM50372096 Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(c1)C(F)(F)F |THB:9:8:7:5.4,1:2:7:5.4|
BDBM50372097 Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(c1)[N+]([O-])=O |THB:9:8:7:5.4,1:2:7:5.4|
BDBM50372098 Cc1cc(ccc1Cl)-n1c(O)c2C3CCC(O3)c2c1O |THB:18:17:16:14.13,9:11:16:14.13|
BDBM50372099 Cc1ccc(cc1Cl)-n1c(O)c2C3CCC(O3)c2c1O |THB:18:17:16:14.13,9:11:16:14.13|
BDBM50372100 Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Cl)c(Cl)c1 |THB:9:8:7:5.4,1:2:7:5.4|
BDBM50372101 Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(I)c(Cl)c1 |THB:9:8:7:5.4,1:2:7:5.4|
BDBM50372102 Oc1c2C3CCC(O3)c2c(O)n1-c1ccc(Br)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(-5.34,-18.05,;-4.1,-17.65,;-3.05,-18.42,;-1.56,-18.38,;-.69,-19.49,;.23,-18.74,;-.67,-17.43,;-.32,-16.04,;-2,-17.66,;-2.4,-16.42,;-1.75,-15.29,;-3.7,-16.42,;-5.04,-15.65,;-6.39,-16.42,;-7.73,-15.65,;-7.73,-14.09,;-9.07,-13.32,;-6.39,-13.32,;-6.39,-11.78,;-5.07,-11.01,;-3.72,-11.78,;-3.72,-13.32,;-5.05,-14.09,)|
BDBM50372103 Oc1c2C3CCC(O3)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |THB:9:8:7:5.4,1:2:7:5.4,(7.88,-13.23,;8.78,-12.29,;10.06,-12.46,;11.36,-11.72,;12.65,-12.28,;13.1,-11.18,;11.68,-10.45,;11.33,-9.07,;10.63,-11.29,;9.69,-10.39,;9.71,-9.09,;8.54,-11.01,;6.99,-10.97,;6.18,-12.3,;4.63,-12.26,;3.89,-10.89,;2.34,-10.85,;1.6,-9.49,;1.53,-12.17,;4.7,-9.57,;3.96,-8.22,;4.76,-6.91,;6.31,-6.94,;7.04,-8.3,;6.24,-9.61,)|
BDBM50372104 Oc1c2C3CCC(C3)n2c(=O)n1-c1cccc(c1)C(F)(F)F |TLB:9:8:5.4:7,THB:1:2:5.4:7|
BDBM50379771 Clc1cc(ccc1C#N)-n1c2ccccc2n(Cc2nc(no2)-c2ccccn2)c1=O
BDBM50379772 COc1cc(ccc1C#N)N1C(=O)C(C)(C)c2cc(ccc12)-c1cccnc1OC
BDBM50379773 CNC(=O)c1ccc(cc1F)-c1ccc2N(C(=O)C(C)(C)c2c1)c1ccc(C#N)c(OC)c1
BDBM50379774 CNC(=O)c1ccc(cc1F)-c1ccc2N(C(=O)C(C)(C)c2c1)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50379775 CC(c1nc(no1)-c1ccccn1)n1c2ccccc2n(-c2ccc(C#N)c(Cl)c2)c1=O
BDBM50379776 CC(c1ccccc1)n1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O
BDBM50379777 FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2cccnc2)c1=O
BDBM50379778 FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2ccccn2)c1=O
BDBM50379779 FC(F)(F)c1cc(ccc1C#N)-n1c2cccnc2n(Cc2ccccc2)c1=O
BDBM50379780 FC(F)(F)c1cc(ccc1C#N)-n1c2ncccc2n(Cc2ccccc2)c1=O
BDBM50379781 CCn1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O
BDBM50379782 CC(C)n1c2ccccc2n(-c2ccc(C#N)c(c2)C(F)(F)F)c1=O
BDBM50379783 FC(F)(F)c1cc(ccc1C#N)-n1c2ccccc2n(Cc2ccccc2)c1=O
BDBM50379430 COc1ccccc1C(=O)\C=C\c1ccccc1[N+]([O-])=O
BDBM50398063 CCOC(=O)C1=C(C)N=C(C)C([C@H]1c1cccc2c1oc(C)cc2=O)C(C)=O |r,c:5,t:8|
BDBM50398065 Fc1ccc2c(OCc3ccccc3\C2=C/c2ccc3n([C@H]4C[C@H]5COCCN5C4)c(=O)[nH]c3c2)c1 |r|
BDBM50398195 CN1C(=O)N(C(=O)[C@@]1(C)c1ccc(O)cc1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50401596 CCS(=O)(=O)Nc1cc(F)c(-c2ccc(C#N)n2C)c(F)c1 |(36.99,-28.77,;35.66,-29.54,;34.32,-28.76,;33.54,-27.42,;35.08,-27.42,;32.99,-29.54,;31.65,-28.77,;31.65,-27.22,;30.31,-26.46,;30.31,-24.92,;28.99,-27.23,;27.66,-26.46,;27.69,-24.92,;26.24,-24.41,;25.31,-25.64,;23.77,-25.61,;22.23,-25.57,;26.19,-26.91,;25.68,-28.36,;28.98,-28.77,;27.65,-29.54,;30.32,-29.54,)|
BDBM50403727 CC[C@@H]1CNc2cc3oc(=O)cc(c3cc2[C@H]1CC)C(F)(F)F |r|
BDBM50403728 CC[C@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
BDBM50403729 CC[C@@H]1[C@H](C)CNc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
BDBM50403730 CC[C@H]1CNc2cc3oc(=O)cc(c3cc2[C@@H]1CC)C(F)(F)F |r|
BDBM50403731 CC[C@H]1C[C@@H](C)Nc2cc3oc(=O)cc(c3cc12)C(F)(F)F |r|
BDBM50403732 CC(C)(O)C(=O)Nc1ccc(c(c1O)C(F)(F)F)[N+]([O-])=O
BDBM50403734 C[C@@H]1CNc2cc3[nH]c(=O)cc(c3cc2[C@@H]1CCC(F)(F)F)C(F)(F)F
BDBM50403735 CC(C)C[C@@H]1[C@@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50403736 CC[C@@H]1[C@H](C)CNc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50410422 CCC(CC)(c1ccc(NCC(O)C(C)(C)C)c(C)c1)c1ccc(NCC(O)C(C)(C)C)c(C)c1
BDBM50410423 CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
BDBM50410541 C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O
BDBM50412519 CCN(C[C@](O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(Cl)cccc1Cl |r|
BDBM50377338 CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1cc(F)c(F)c2cc[nH]c12 |w:1.0|
BDBM50377349 COc1ccc2cc[nH]c2c1-c1cc(C)c2NC(C)(C)CC(C)c2c1Cl |w:21.23,(12.35,-42.62,;12.35,-44.16,;11.02,-44.93,;9.69,-44.17,;8.36,-44.94,;8.37,-46.49,;7.24,-47.52,;7.87,-48.91,;9.39,-48.74,;9.7,-47.25,;11.03,-46.48,;12.36,-47.25,;12.36,-48.8,;13.69,-49.57,;13.69,-51.11,;15.02,-48.8,;16.36,-49.58,;17.71,-48.8,;18.1,-50.28,;19.19,-48.4,;17.71,-47.25,;16.37,-46.46,;16.37,-44.92,;15.03,-47.24,;13.68,-46.48,;13.68,-44.94,)|
BDBM50377350 CC1CC(C)(C)Nc2c(C)cc(c(Cl)c12)-c1ccc(F)c2cc[nH]c12 |w:1.0|
BDBM50377409 OC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377410 FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F
BDBM50377411 FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)C(F)(F)F
BDBM50377412 Cc1ccc(cc1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377413 Cc1cccc(c1)[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377414 FC(F)(F)CN1[C@@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1
BDBM50377415 CSCC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377416 FC(F)(F)C[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377417 FC(F)C1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:3.2|
BDBM50377418 FC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377419 FC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377420 FC(F)(F)CN1C(CC#N)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F |w:6.6|
BDBM50377421 CSCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:3.2|
BDBM50377422 CCCOCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:5.4|
BDBM50377423 CCOCC1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F |w:4.3|
BDBM50377424 COC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377425 COC[C@@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377426 OC[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377427 Cc1cccc(c1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377428 FC(F)(F)CN1[C@H](COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F)c1ccccc1
BDBM50377429 Cc1ccc(cc1)[C@H]1COc2cc3[nH]c(=O)cc(c3cc2N1CC(F)(F)F)C(F)(F)F
BDBM50377430 FC(F)(F)CN1[C@H](Cc2ccccc2)COc2cc3[nH]c(=O)cc(c3cc12)C(F)(F)F
BDBM50376852 COc1c(O)ccc2O\C(=C/c3cccc(C)c3F)c3c(ccc4NC(C)(C)C=C(C)c34)-c12 |t:29|
BDBM50410187 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50410188 C[C@H](CCC(O)=O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)OCCOCCN(C)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C#C)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:62,69|
BDBM50410196 CC1(C)N(OCCOCCOCCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50410197 CC1(C)N(OCCOCCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50410198 CC1(C)N(OCC#CCCc2ccc(O)c(c2)C(N)=O)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50405304 [H][C@@]12CC[C@@]3(CCCO3)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)N(C)C3=CC[C@@]21[H] |c:26|
BDBM50408093 CC1=CC(=C)C(O)(Cc2ccc(cc2)[N+]([O-])=O)C(C)(C)C1 |t:1|
BDBM50409115 CC(=O)c1ccc(cc1)[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)C(F)(F)C(F)(F)F)[C@@H]2CCC3=CC(=O)CCC3=C12 |t:30,37|
BDBM50409765 COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](OC5C[C@H](NCNC(=O)c6cc(COCC#CCN7C(=O)N(C(=O)C7(C)C)c7ccc(C#N)c(c7)C(F)(F)F)ccc6O)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
BDBM50410420 CCC(CC)(c1ccc(O)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1
BDBM50410421 CCC(CC)(c1ccc(NCC(=O)C(C)(C)C)c(C)c1)c1ccc(NCC(=O)C(C)(C)C)c(C)c1
BDBM50375827 Cn1c(ccc1-c1cc2c(NC(=O)C2(C)C)c(F)c1)C#N
BDBM50373224 Cc1cc(=O)[nH]c2ccc3c4cc(F)ccc4oc(=O)c3c12
BDBM50373225 FC(F)(F)c1cc(=O)[nH]c2ccc-3c(OCc4ccccc-34)c12
BDBM50373226 COc1cccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12
BDBM50373227 Oc1cccc2c1c1ccc3[nH]c(=O)cc(c3c1oc2=O)C(F)(F)F
BDBM50373228 Oc1cccc2OCc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12
BDBM50373229 COc1cccc2OCc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12
BDBM50373230 COC1Oc2cccc(OC)c2-c2ccc3[nH]c(=O)cc(C)c3c12 |w:2.1|
BDBM50373231 COc1c(O)ccc2OCc3c(ccc4[nH]c(=O)cc(C)c34)-c12
BDBM50373232 Cc1cc(=O)[nH]c2ccc-3c(COc4cccc(CO)c-34)c12
BDBM50373233 COc1cccc2OCc3c(ccc4[nH]c(=O)cc(C)c34)-c12
BDBM50373234 CCOc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c2c1OC
BDBM50373235 COc1c(ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12)C(=O)OC(F)(F)F
BDBM50373236 Cc1cc(=O)[nH]c2ccc3c4c(cccc4oc(=O)c3c12)C(=O)OC(C)(C)C
BDBM50373237 COc1cccc2c1c1ccc3[nH]c(=O)cc(c3c1oc2=O)C(F)(F)F
BDBM50373238 COc1cccc2OC(O)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8|
BDBM50373239 COc1c(OC(C)C)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12
BDBM50373240 COc1c(O)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c12
BDBM50373241 COc1cccc2COc3c(ccc4[nH]c(=O)cc(c34)C(F)(F)F)-c12
BDBM50373242 COc1cccc2OC(CC=C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8|
BDBM50373243 COc1cccc2OC(C)c3c(ccc4[nH]c(=O)cc(C)c34)-c12 |w:8.8|
BDBM50373244 COc1ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c34)c2c1
BDBM50375423 COC[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(CN=O)cc1)OC |r,c:17,t:10|
BDBM50393801 Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:12|
BDBM50393802 [O-][N+](=O)c1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:7|
BDBM50393803 [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCCC12 |t:14|
BDBM50393804 FC(F)(F)c1cc(ccc1C1=NOC2CCCCCCC12)C#N |t:11|
BDBM50393805 FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCCC12 |t:13|
BDBM50393806 Fc1ccc(C2=NOC3CCCCCC23)c(c1)C(F)(F)F |t:5|
BDBM50393807 Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:12|
BDBM50393808 [O-][N+](=O)c1ccc(C2=NO[C@H]3CCCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7|
BDBM50393809 [O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCCC[C@H]23)c(c1)C(F)(F)F |r,t:7|
BDBM50393810 [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCCC12 |t:14|
BDBM50393811 FC(F)(F)c1cc(ccc1C1=NOC2CCCCCC12)C#N |t:11|
BDBM50393812 Fc1ccc(C2=NOC3CCCCCCC23)c(c1)C(F)(F)F |t:5|
BDBM50393813 FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCCC12 |t:13|
BDBM50393814 Fc1ccc(C2=NOC3CCCCC23)c(c1)C(F)(F)F |t:5|
BDBM50393815 Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:12|
BDBM50393816 [O-][N+](=O)c1ccc(C2=NO[C@H]3CCCC[C@@H]23)c(c1)C(F)(F)F |r,t:7|
BDBM50393817 [O-][N+](=O)c1ccc(C2=NO[C@@H]3CCCC[C@H]23)c(c1)C(F)(F)F |r,t:7|
BDBM50393818 [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NOC2CCCCC12 |t:14|
BDBM50393819 FC(F)(F)c1c(cccc1C1=NOC2CCCCC12)C#N |t:11|
BDBM50393820 FC(F)(F)c1cc(ccc1C1=NOC2CCCCC12)C#N |t:11|
BDBM50393821 FC(F)(F)c1cc(ccc1C#N)C1=NOC2CCCCC12 |t:13|
BDBM50393822 Fc1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:5|
BDBM50393823 Fc1ccc(cc1C(F)(F)F)C1=NOC2CCCC12 |t:12|
BDBM50393824 [O-][N+](=O)c1ccc(C2=NOC3CCCC23)c(c1)C(F)(F)F |t:7|
BDBM50393825 [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@@H]2CCC[C@H]12 |r,t:14|
BDBM50393826 [O-][N+](=O)c1ccc(cc1C(F)(F)F)C1=NO[C@H]2CCC[C@@H]12 |r,t:14|
BDBM50393827 FC(F)(F)c1cc(ccc1C1=NOC2CCCC12)C#N |t:11|
BDBM50393828 FC(F)(F)c1cc(ccc1C#N)C1=NO[C@@H]2CCC[C@H]12 |r,t:13|
BDBM50393829 FC(F)(F)c1cc(ccc1C#N)C1=NO[C@H]2CCC[C@@H]12 |r,t:13|
BDBM50376214 FC(F)(F)c1ccc2Sc3ccccc3N(CC(=O)c3cccc4ccccc34)c2c1
BDBM50415011 Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
BDBM50415014 Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cccc(Cl)c1Cl
BDBM50415015 Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccc(Cl)cc1Cl
BDBM50415016 Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1cc(Cl)ccc1Cl
BDBM50415017 Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1c(F)cccc1Cl
BDBM50415018 Cc1c(C#N)c(N)nc2c3[C@H](CC(=O)Nc3sc12)c1ccccc1Cl |r|
BDBM50415019 Cc1c(C#N)c(N)nc2c3[C@@H](CC(=O)Nc3sc12)c1ccccc1Cl |r|
BDBM50415020 Cc1c(C#N)c(Cl)nc2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
BDBM50415021 Cc1c(C#N)c(=O)[nH]c2c3C(CC(=O)Nc3sc12)c1ccccc1Cl
BDBM50415022 Cc1c(C#N)c(N)nc2c3C(CC(=O)Nc3sc12)c1ccccc1
BDBM50415023 Cc1ccccc1C1CC(=O)Nc2sc3c(C)c(C#N)c(N)nc3c12
BDBM50415086 Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(C)(O)C2)C#N |r,TLB:15:14:8:10.11,7:8:14.17.13:10.11,THB:16:14:8:10.11|
BDBM50415087 N#Cc1ccc(N2[C@@H]3CC[C@@H]2CCC3)c2ccccc12 |r,TLB:5:6:12.13.11:8.9|
BDBM50415088 OC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50415089 COC1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:1:2:9:5.6,10:9:2.3.8:5.6|
BDBM50415090 O=C1C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:9:8:1.2.7:4.5,0:1:8:4.5|
BDBM50415091 Cc1c(C)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)[N+]([O-])=O |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11|
BDBM50415092 Cc1c(Cl)c(ccc1N1[C@@H]2CC[C@@H]1CC(O)C2)C#N |r,TLB:7:8:10.11:16.13.14,THB:15:14:8:10.11|
BDBM50415093 OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C1CC1 |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5|
BDBM50415094 OC1(C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12)C=C |r,TLB:0:1:8:4.5,9:8:1.2.7:4.5,THB:21:1:8:4.5|
BDBM50415095 CC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:2:1:9:5.6,10:9:1.3.8:5.6,THB:0:1:9:5.6|
BDBM50415096 CCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:3:2:10:6.7,11:10:2.4.9:6.7,THB:1:2:10:6.7|
BDBM50415097 [O-][N+](=O)c1ccc(N2CCCC2)c2ccccc12
BDBM50415098 N#Cc1ccc(N2CCCC2)c2ccccc12
BDBM50415099 CCCC1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:2:3:11:7.8|
BDBM50415100 CC(C)C1(O)C[C@H]2CC[C@H](C1)N2c1ccc(C#N)c2ccccc12 |r,TLB:4:3:11:7.8,12:11:3.5.10:7.8,THB:1:3:11:7.8|
BDBM50416071 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccccc2)cc1C(F)(F)F
BDBM50416072 CCCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416073 OCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416074 CCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416075 CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416076 CCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416077 CCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416078 CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416079 CC(C)c1cc(C(C)C)c(c(c1)C(C)C)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416080 CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416081 CS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416082 CCS(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416083 CC(C)CNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416084 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1C(F)(F)F)S(=O)(=O)Nc1ccccc1
BDBM50416085 CC(C)NS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416086 Oc1ccc(cc1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
BDBM50416087 Oc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
BDBM50416088 CCOc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
BDBM50416089 CCOc1ccccc1-c1ccc2n(ncc2c1)-c1ccc(F)cc1
BDBM50416090 Cc1ccc(cc1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
BDBM50416091 Cc1cccc(c1)-c1ccc2n(ncc2c1)-c1ccc(F)cc1
BDBM50416092 Cc1ccccc1-c1ccc2n(ncc2c1)-c1ccc(F)cc1
BDBM50416093 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1)C#N
BDBM50416094 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1cccc(c1)C#N
BDBM50416095 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1C#N
BDBM50416096 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(cc1)C(F)(F)F
BDBM50416097 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1cccc(c1)C(F)(F)F
BDBM50416098 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1C(F)(F)F
BDBM50416099 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccccc1
BDBM50416100 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)Cc2ccccc2)cc1C(F)(F)F
BDBM50416101 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2ccsc2)cc1C(F)(F)F
BDBM50416102 CC(C)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416103 COc1cccc(c1)S(=O)(=O)Nc1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416104 CCCCN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416105 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)cc1C(F)(F)F
BDBM50416106 Fc1ccc(cc1)-n1ncc2cc(ccc12)-c1ccc(NS(=O)(=O)c2cccc(c2)C(F)(F)F)cc1C(F)(F)F
BDBM50416107 CCCNS(=O)(=O)c1ccc(-c2ccc3n(ncc3c2)-c2ccc(F)cc2)c(c1)C(F)(F)F
BDBM50416867 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ncccc12)C(F)(F)F
BDBM50416868 CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O
BDBM50416869 Cc1ccc2c(NCC(O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cccc2n1
BDBM50416870 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1ccc2c(c1)c(C)noc2=O)C(F)(F)F
BDBM50416871 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2ccccc12)C(F)(F)F
BDBM50416872 CC(C)(CC(O)(CNc1cccc2ccccc12)C(F)(F)F)c1cc(F)ccc1O
BDBM50416873 COc1ccc(F)cc1C(C)(C)CC(O)(CNc1cccc2nc(C)ccc12)C(F)(F)F
BDBM50420539 Oc1cc2ccccc2cc1\C=N\NC(=O)c1cc2ccccc2cc1O
BDBM50420540 COc1cc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc(OC)c1O
BDBM50420541 CCCOc1ccc(\C=N\NC(=O)c2cc3c(ccc4ccccc34)o2)cc1
BDBM50420542 Oc1ccc(Br)cc1\C=N\NC(=O)c1cc2ccccc2cc1O
BDBM50428545 CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(F)c1 |r|
BDBM50428546 CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(cc1)C#N |r|
BDBM50428547 CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(OC)c1 |r|
BDBM50428548 C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)N1CCCC1=O)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428549 CNC(=O)c1ccc(cn1)[C@@]1(O)CCN([C@@H]1C)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428550 C[C@@H]1N(CC[C@@]1(O)c1ccc(nc1)C(=O)N(C)C)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428551 CNC(=O)c1ccc(cn1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428552 CNC(=O)c1ccc(nc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428553 CNC(=O)c1ccc(cc1)[C@]1(O)CCN([C@H]1C)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428554 C[C@@H]1N(CC[C@@]1(O)c1ccc(cc1)C(N)=O)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428555 C[C@@H]1N(CC[C@@]1(O)c1ccc(F)cc1)c1ccc(C#N)c(Cl)c1 |r|
BDBM50428556 OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccc(F)cc1
BDBM50428557 OC1(CCN(C1)c1ccc(C#N)c(Cl)c1)c1ccccc1
BDBM50428558 OC1(Cc2ccccc2)CCN(C1)c1ccc(C#N)c(Cl)c1
BDBM50428559 OC1CCN(C1)c1ccc(C#N)c(Cl)c1
BDBM50427619 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(C)(=O)=O)c(C)c2c1
BDBM50427620 COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(O)=O)c(C)c2c1
BDBM50427621 COc1ccc2n(cc(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1
BDBM50425732 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50425733 NS(=O)(=O)c1cccc2cc(SCCOc3ccccc3)[nH]c12
BDBM50425734 Cc1cccc(C)c1OCCSc1nc2ccccc2[nH]1
BDBM50425735 Cc1cccc(OCCSc2nc3ccccc3[nH]2)c1
BDBM50425736 C(CSc1cc2ccccc2[nH]1)Oc1ccccc1
BDBM50425737 NS(=O)(=O)c1ccc(OCCSc2nc3ccccc3[nH]2)cc1
BDBM50425738 Clc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
BDBM50425739 Clc1cccc(OCCSc2nc3ccccc3[nH]2)c1
BDBM50425740 Cc1ccc(OCCSc2nc3ccccc3[nH]2)cc1
BDBM50425741 Cc1ccccc1OCCSc1nc2ccccc2[nH]1
BDBM50425742 C(Cc1ccccc1)Sc1nc2ccccc2[nH]1
BDBM50425743 C(COc1ccccc1)CSc1nc2ccccc2[nH]1
BDBM50425744 C(CSc1nc2ccccc2[nH]1)Nc1ccccc1
BDBM50425745 C(CSc1nc2ccccc2[nH]1)Cc1ccccc1
BDBM50425746 O=S(=O)(CCOc1ccccc1)c1nc2ccccc2[nH]1
BDBM50425747 O=S(CCOc1ccccc1)c1nc2ccccc2[nH]1
BDBM50425748 C(COc1ccccc1)Cc1nc2ccccc2[nH]1
BDBM50422635 C[C@]12CCC3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@H]2O |c:4,10|
BDBM50425749 C(COc1ccccc1)Nc1nc2ccccc2[nH]1
BDBM50425750 C=CCn1c(SCCOc2ccccc2)nc2ccccc12
BDBM50425751 OCCn1c(SCCOc2ccccc2)nc2ccccc12
BDBM50425752 CCn1c(SCCOc2ccccc2)nc2ccccc12
BDBM50425753 CCc1cccc(OCCSc2nc3ccccc3n2CCC(O)=O)c1
BDBM50425754 COC(=O)Cn1c(SCCOc2cccc(CC=C)c2)nc2ccccc12
BDBM50425755 CC(C)(C)c1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1
BDBM50425756 Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(O)=O)c1
BDBM50425757 CCN(CC)C(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12
BDBM50425758 Cc1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1
BDBM50425759 Cc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1C
BDBM50425760 Cc1cccc(OCCSc2nc3ccccc3n2CCOc2ccccc2)c1
BDBM50425761 Cc1ccc(OCCSc2nc3ccccc3n2CCC(O)=O)cc1
BDBM50425762 CCc1cccc(OCCSc2nc3ccccc3n2CC(O)=O)c1
BDBM50425763 CCOC(=O)Cn1c(SCCOc2cc(C)cc(C)c2)nc2ccccc12
BDBM50425764 COC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12
BDBM50425765 CCc1cccc(OCCSc2nc3ccccc3n2CC(=O)OC)c1
BDBM50425766 Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCOCC2)c1
BDBM50425767 Cc1ccc(OCCSc2nc3ccccc3n2CC(O)=O)cc1
BDBM50425768 CCOC(=O)Cn1c(SCCOc2cccc(CC)c2)nc2ccccc12
BDBM50425769 Cc1cccc(OCCSc2nc3ccccc3n2C)c1
BDBM50425770 CCOC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12
BDBM50425771 CCn1c(SCCOc2cccc(C)c2)nc2ccccc12
BDBM50425772 COC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc12
BDBM50425773 CC(C)OC(=O)Cn1c(SCCOc2ccc(C)c(C)c2)nc2ccccc12
BDBM50425774 COCCn1c(SCCOc2cccc(C)c2)nc2ccccc12
BDBM50425775 CCOc1cccc(OCCSc2nc3ccccc3n2CCOc2ccc(C)cc2)c1
BDBM50425776 CCOC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12
BDBM50425777 CC(C)OC(=O)Cn1c(SCCOc2cccc(C)c2)nc2ccccc12
BDBM50425778 COCCn1c(SCCOc2ccc(C)cc2)nc2ccccc12
BDBM50425779 CC(C)OC(=O)Cn1c(SCCOc2ccc(C)cc2)nc2ccccc12
BDBM50430749 CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
BDBM50430750 CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|
BDBM50430751 CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
BDBM50430752 CC[Si](CC)(c1ccc(NC[C@@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
BDBM50430753 CC[Si](CC)(c1ccc(NC[C@H](O)CO)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1 |r|
BDBM50430754 CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
BDBM50430755 CC[Si](CC)(c1ccc(OC[C@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
BDBM50430756 CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@@H](O)C(C)(C)C)c(C)c1 |r|
BDBM50430757 CC[Si](CC)(c1ccc(OC[C@@H](O)CO)c(C)c1)c1ccc(OC[C@H](O)C(C)(C)C)c(C)c1 |r|
BDBM50430758 CC[Si](CC)(c1ccc(OCC(=O)C(C)(C)C)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
BDBM50430759 CC[Si](CC)(c1ccc(OCC2CO2)c(C)c1)c1ccc(OCC(=O)C(C)(C)C)c(C)c1
BDBM104026 CC1(C)N(Cc2ccc(cc2)-c2cn(CCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104027 CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104028 CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104029 CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104030 CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104031 CC1(C)N(Cc2ccc(cc2)-c2cn(CCCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104032 CC1(C)N(CCCCc2cn(CCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104033 CC1(C)N(CCCCc2cn(CCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104034 CC1(C)N(CCCCc2cn(CCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104035 CC1(C)N(CCCCc2cn(CCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104036 CC1(C)N(CCCCc2cn(CCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM104037 CC1(C)N(CCCCc2cn(CCCCCCCCC(=O)NO)nn2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50432188 CC(=O)N1CCN(CCOc2ccc(cc2)C2CCN(CC2)C2=Nn3c(CC2)nnc3C(F)(F)F)CC1 |t:24|
BDBM50430944 Cc1cccc(NC(=O)c2ccc(nc2)N2CCc3ccccc3C2)n1
BDBM50430945 CCOc1ccc2CN(CCc2c1)c1ccc(cn1)C(=O)Nc1cccc(C)n1
BDBM50430946 COc1ccc2CN(CCc2c1OC)c1ccc(cn1)C(=O)Nc1cccc(C)n1
BDBM50434571 Cc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
BDBM50434572 Oc1cc(oc2cccc(=O)c12)-c1ccc(Cl)cc1
BDBM50434573 Fc1cccc2oc(cc(=O)c12)-c1ccccc1
BDBM50434574 CN(C)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
BDBM50434575 CSc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
BDBM50434576 Fc1cccc2oc(cc(=O)c12)-c1ccc(cc1)C#N
BDBM50434577 Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C(F)(F)F
BDBM50434578 COc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
BDBM50434579 Nc1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
BDBM50434580 NC(=O)c1ccc(cc1)-c1cc(O)c2c(cccc2=O)o1
BDBM50437046 CCCC(CCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
BDBM50437047 CCCC[Si](CCCC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
BDBM50437048 CCC(CC)(c1ccc(N)c(C)c1)c1ccc(O)c(C)c1
BDBM50437049 CCC(CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
BDBM50437050 CC[Si](CC)(c1ccc(O)c(C)c1)c1ccc(O)c(C)c1
BDBM50436483 CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(Cl)c(Cl)c1
BDBM50436484 CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(cc1)C#N
BDBM50436485 CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc2ccccc2c1
BDBM50436486 CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1ccc(F)c(Cl)c1
BDBM50436487 CCS(=O)(=O)Nc1cccc(c1)-c1cc(=O)n(nc1C)-c1cc(Cl)cc(Cl)c1
BDBM50435990 C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC=C2n1cnc2ccccc12 |r,c:21,t:7|
BDBM50437564 C[C@@H](N1C(=O)O[C@](Cc2ccc(F)cc2)(C(=O)NCc2ccc(Cl)c(Cl)c2)C1=O)c1ccc(F)cc1 |r|
BDBM50437565 COc1cc(CNC(=O)[C@@]2(Cc3ccccc3)OC(=O)N([C@@H]3CCc4ccccc34)C2=O)cc(OC)c1 |r|
BDBM50434566 Fc1cccc2oc(cc(=O)c12)-c1ccc(Cl)cc1
BDBM50434567 Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)[N+]([O-])=O
BDBM50434568 Oc1cccc2oc(cc(=O)c12)-c1ccc(F)cc1
BDBM50434569 Oc1cc(oc2cccc(=O)c12)-c1ccc(cc1)C#N
BDBM50434570 Fc1ccc(cc1)-c1cc(=O)c2c(F)cccc2o1
BDBM50441938 Fc1ccc(C(=O)O[C@@H]2[C@H](N(C=CC2=O)C(=O)C=Cc2ccccc2)c2ccccc2)c(c1)C(F)(F)F |r,w:17.17,c:11|
BDBM50440096 CC(C)(CNC(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
BDBM50440097 CC(C)(CNS(=O)(=O)CC(F)(F)F)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
BDBM50440098 CC(C)(C)NC(=O)NCC(C)(C)[C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1 |r|
BDBM50440220 CC([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
BDBM50442121 COc1cccc(c1)C(=O)Nc1cnc(Oc2ccc(O)cc2)nc1
BDBM50442122 COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)nc1
BDBM50442123 COc1cccc(c1)C(=O)Nc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
BDBM50442124 COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)c(C)c1
BDBM50442125 COc1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
BDBM50442126 O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1
BDBM50442127 Oc1ccc(Oc2ccc(NC(=O)c3ccncc3)cc2)cc1
BDBM50442128 Oc1ccc(Oc2ccc(NC(=O)c3cccnc3)cc2)cc1
BDBM50442129 Oc1ccc(Oc2ccc(NC(=O)c3ccccn3)cc2)cc1
BDBM50442130 CN(C)c1ccc(cc1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
BDBM50442131 CN(C)c1cccc(c1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
BDBM50440233 CCCC(c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(C)(C)C(=O)Nc1nncs1
BDBM50440242 CC(C)([C@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
BDBM50440243 CC(C)([C@@H](c1ccccc1)c1ccc2n(ncc2c1)-c1ccc(F)cc1)C(=O)Nc1nncs1 |r|
BDBM50442132 Oc1ccc(Oc2ccc(NC(=O)c3ccc(cc3)[N+]([O-])=O)cc2)cc1
BDBM50442133 Oc1ccc(Oc2ccc(NC(=O)c3cccc(c3)[N+]([O-])=O)cc2)cc1
BDBM50442134 Oc1ccc(Oc2ccc(NC(=O)c3ccccc3[N+]([O-])=O)cc2)cc1
BDBM50442135 Oc1ccc(Oc2ccc(NC(=O)c3ccccc3O)cc2)cc1
BDBM50442136 COc1ccc(cc1)C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
BDBM50442137 COc1ccccc1C(=O)Nc1ccc(Oc2ccc(O)cc2)cc1
BDBM50442138 Oc1ccc(Oc2ccc(NC(=O)c3ccccc3)cc2)cc1
BDBM50439606 Fc1ccc(cc1)C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:8|
BDBM50439607 CC1NC(=O)C(=C1c1cc(C)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439608 CC1NC(=O)C(=C1c1cc(Cl)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439609 CC1NC(=O)C(=C1c1cc(F)c2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439610 CC1NC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439611 CC1N(CCO)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:8|
BDBM50439612 CC1N(C2CC2)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:9|
BDBM50439613 CCN1C(C)C(=C(C1=O)c1ccc(F)cc1)c1ccc2OCC(=O)Nc2c1 |c:5|
BDBM50439614 CC1N(C)C(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439615 CCC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439616 CC1(F)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439617 CC1OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:5|
BDBM50439618 CC1(C)OC(=O)C(=C1c1ccc2OCC(=O)Nc2c1)c1ccc(F)cc1 |c:6|
BDBM50439619 Cc1cc(F)ccc1C1=C(COC1=O)c1ccc2OCC(=O)Nc2c1 |t:9|
BDBM50439620 Fc1ccc(C2=C(COC2=O)c2ccc3OCC(=O)Nc3c2)c(F)c1 |t:5|
BDBM50013153 CC(C)(O)c1cn(nn1)-c1ccc(Cl)c(c1)C(F)(F)F
BDBM50013154 CC(C)(O)c1cn(nn1)-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50013155 CC(C)(O)c1cn(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
BDBM50007584 C[C@](O)(COc1ccc(cc1)C#N)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007585 C[C@](O)(COc1ccccc1C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007586 C[C@](O)(COc1ccccc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007587 C[C@](O)(COc1ccc(F)cc1C#N)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007588 C[C@](O)(COc1ccc(F)cc1Br)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007589 Cc1cc(F)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007590 C[C@](O)(COc1ccc(cc1Br)C#N)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007591 C[C@](O)(COc1ccc(cc1F)C#N)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007592 COc1cc(ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N)C#N |r|
BDBM50007593 COc1cc(Cl)ccc1OC[C@](C)(O)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007594 COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(F)c1 |r|
BDBM50007595 COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)c(Cl)c1 |r|
BDBM50007596 C[C@](O)(COc1ccc(Cl)cc1F)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007597 C[C@](O)(COc1ccc(Cl)cc1Cl)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007598 C[C@](O)(COc1ccc(Br)cc1F)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007599 C[C@](O)(COc1ccccc1)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007600 C[C@](O)(COc1ccc(F)cc1)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007601 C[C@](O)(COc1cccc(F)c1)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007602 C[C@](O)(COc1ccccc1F)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007603 C[C@](O)(COc1ccc(Cl)cc1)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007604 C[C@](O)(COc1cccc(Cl)c1)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007605 C[C@](O)(COc1ccccc1Cl)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007606 C[C@](O)(COc1ccc(Br)cc1)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007607 C[C@](O)(COc1ccc(cc1)C(F)(F)F)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50007608 COc1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|
BDBM50007609 COC(=O)c1ccc(OC[C@](C)(O)C(=O)N2CCc3c2cccc3C#N)cc1 |r|
BDBM50007610 C[C@](O)(COc1ccc(cc1)-c1cocn1)C(=O)N1CCc2c1cccc2C#N |r|
BDBM50013412 COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
BDBM50013413 COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
BDBM50013414 CCOc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
BDBM50013416 COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
BDBM50013417 COc1cc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
BDBM50013418 Cc1nc(ccc1C#N)N1N=C(C[C@@H]1C1CCCC1)c1ccc(cc1)C(O)=O |r,c:11|
BDBM50013419 CCOc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
BDBM50013420 COc1nc(ccc1C(O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(Cl)c1 |r,t:12|
BDBM50013422 COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:12|
BDBM50013423 CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:13|
BDBM50013424 COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:14|
BDBM50013425 COc1nc(ccc1C(N)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:12|
BDBM50013426 CNC(=O)c1ccc(nc1OC)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:13|
BDBM50013427 COc1nc(ccc1C(=O)N(C)C)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:14|
BDBM50013428 COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:16|
BDBM50013429 COc1nc(ccc1C(=O)NS(C)(=O)=O)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)n1 |r,t:16|
BDBM50013430 COc1nc(ccc1C(=O)Nc1nnn[nH]1)C1=NN([C@H](C1)C1CCCC1)c1ccc(C#N)c(C)c1 |r,t:18|
BDBM50014432 C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)cc1)NS(=O)(=O)c1c(C)cc(C)cc1C |r|
BDBM50014433 C[C@@H](CNc1cccc2n(ncc12)-c1ccc(F)nc1)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C |r|
BDBM50009583 COc1cc(OC)cc(c1)-c1nnc(o1)[C@@]1(Cc2ccccc2)OC(=O)N([C@H](C)c2ccccc2)C1=O |r|
BDBM50009584 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nnc(o1)C1(CC1)c1ccccc1)c1ccccc1 |r|
BDBM145862 CCCCCC(O)[C@@H]1C2CC3=C(COC(\C=C\C)=C3)C(=O)[C@]2(C)OC1=O |r,c:17,t:10|
BDBM142632 [H][C@@]12C3CC3C3=CC(=O)CC[C@]3(C)C1CC[C@@]1(C)C2C2CC2[C@@]11CCC(=O)C1 |r,t:6|
BDBM142633 C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:6,26,t:8|
BDBM142634 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:24,t:3|
BDBM142635 CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:25,t:4|
BDBM142636 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,28|
BDBM142637 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OC(=O)C=C1 |r,c:29,t:8|
BDBM142638 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:27,t:9|
BDBM142639 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,14,27|
BDBM142640 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,28|
BDBM142641 CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OC(=O)C=C3)[C@H]12 |r,c:26,t:4|
BDBM142643 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,29|
BDBM142644 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:11,31|
BDBM142645 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:10,30|
BDBM142646 CC[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:9,28|
BDBM142647 C[C@]12CC[C@H]3[C@@H](CCC4=C(Cl)C(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:8,27|
BDBM142648 CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
BDBM142649 CC[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:30,t:12|
BDBM142650 C[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:28,t:10|
BDBM142651 C[C@]12CC[C@H]3[C@@H](CC4(CC4)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OC(=O)C=C1 |r,c:29,t:11|
BDBM150275 C[C@]12CC[C@H]3[C@@H]([C@H]4C[C@H]4C4=CC(=O)CC[C@]34C)[C@@H]1[C@@H]1C[C@@H]1[C@@]21CCC(=O)O1 |r,t:10|
BDBM150276 C[C@]12CCC3C(CCC4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:8|
BDBM150277 CC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:3|
BDBM150278 CCC1CC2=CC(=O)CCC2C2CC[C@@]3(C)C(C4CC4[C@@]33CCC(=O)O3)C12 |r,t:4|
BDBM150279 C[C@]12CCC3C4CCC(=O)C=C4CC(C=C)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
BDBM150280 C[C@]12CCC3C4CCC(=O)C=C4CC(C4CC4)C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
BDBM150281 C[C@]12CCC3C(C[C@@H](CO)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:10|
BDBM150282 C[C@]12CCC3C(CC4(CC4)C4=CC(=O)CCC34)C1C1CC1[C@@]21CCC(=O)O1 |r,t:11|
BDBM150283 C[C@]12CCC3C4CCC(=O)C=C4[C@@H]4C[C@@H]4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
BDBM150284 C[C@]12CCC3C4CCC(=O)C=C4C4CC4C3C1C1CC1[C@@]21CCC(=O)O1 |r,c:10|
BDBM151587 O[C@]1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F
BDBM151588 O[C@@]1(CCCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F
BDBM151589 O[C@@]1(CCCc2c1[nH]c1c(Cl)cc(Cl)cc21)C(F)(F)F
BDBM151590 OC1(C(F)CCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F
BDBM151591 OC1(CCCc2c1[nH]c1ccc(F)c(Cl)c21)C(F)(F)F
BDBM151592 OC1C(F)CC(c2c1[nH]c1ccc(Cl)c(Cl)c21)C(F)(F)F
BDBM151593 OC1(CCCc2c1[nH]c1cc(Cl)c(F)cc21)C(F)(F)F
BDBM151594 OC1(C(CCc2c1[nH]c1c(Cl)cc(F)cc21)C(F)(F)F)C(F)(F)F
BDBM151595 OC1(c2[nH]c3cc(Cl)c(Cl)cc3c2CCC1(F)F)C(F)(F)F
BDBM151596 OC1(CCCc2c1[nH]c1c(Cl)cc(Cl)c(Cl)c21)C(F)(F)F
BDBM151597 CC1CCc2c([nH]c3ccc(Cl)c(Cl)c23)C1(O)C(F)(F)F
BDBM151598 OC1(CCCc2c1[nH]c1cc(Cl)c(Cl)c(Cl)c21)C(F)(F)F
BDBM151599 OC1(CCCc2c1[nH]c1c(Cl)c(Cl)ccc21)C(F)(F)F
BDBM151600 CC1CC(c2c([nH]c3cc(Cl)c(Cl)cc23)C1O)C(F)(F)F
BDBM151601 OC1(CCc2c1[nH]c1cc(Cl)c(Cl)cc21)C(F)(F)F
BDBM151602 OC1(CCCc2c1[nH]c1c(F)cc(Cl)cc21)C(F)(F)F
BDBM151603 OC1(CCc2c1[nH]c1ccc(Cl)c(Cl)c21)C(F)(F)F
BDBM151604 OC1(CCCc2c1[nH]c1c(cc(cc21)C#N)C(F)(F)F)C(F)(F)F
BDBM50024798 Cc1[nH]nc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024799 Cc1onc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024800 Cn1ncc(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024801 Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024802 Cc1nn(C)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1F |(36.03,-29.04,;37.44,-28.41,;38.77,-29.18,;39.91,-28.15,;41.42,-28.47,;39.28,-26.74,;37.76,-26.9,;36.72,-25.76,;37.2,-24.3,;36.17,-23.15,;34.67,-23.47,;33.64,-22.32,;32.13,-22.65,;31.65,-24.11,;30.15,-24.43,;32.68,-25.25,;34.19,-24.94,;35.22,-26.08,;40.05,-25.41,;39.28,-24.07,;40.05,-22.74,;41.59,-22.74,;42.36,-21.41,;42.36,-24.07,;41.59,-25.41,;42.36,-26.74,)|
BDBM50024803 Cc1nn(C)c(c1-c1cc(C)c2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024804 CCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024805 CCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024806 Cc1nn(Cc2ccccc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024809 Cc1nn(CCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024827 Cc1nn(CCCCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024828 Cc1nn(Cc2ccccn2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024833 Cc1nn(Cc2cccnc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024846 Cc1nn(Cc2ccncc2)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024847 CCCCn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024848 CC(C)Cn1nc(C)c(c1-c1ccc(F)cc1)-c1ccc2OCC(=O)Nc2c1
BDBM50024849 Cc1nn(CCCC(F)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024853 Cc1nn(CCNS(C)(=O)=O)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024855 Cc1nn(CCC#N)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024856 Cc1nn(CC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024857 Cc1nn(CC(F)(F)CCO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024859 Cc1nn(CCC(C)(F)F)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM50024860 Cc1nn(CCC(F)(F)CO)c(c1-c1ccc2OCC(=O)Nc2c1)-c1ccc(F)cc1
BDBM158513 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:25,t:8|
BDBM158514 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:10,13,25|
BDBM158515 C[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:23,t:3|
BDBM158516 CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(C)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:24,t:4|
BDBM158517 C[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:10,27|
BDBM158518 C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC1(CC1)[C@]21OCC=C1 |r,c:28,t:8|
BDBM158519 CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:26,t:9|
BDBM158520 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C=C[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,14,26|
BDBM158521 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,27|
BDBM158522 CC[C@@H]1CC2=CC(=O)CC[C@@H]2[C@H]2CC[C@@]3(CC)[C@@H](CC[C@]33OCC=C3)[C@H]12 |r,c:25,t:4|
BDBM158523 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C=C)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,28|
BDBM158524 CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4C[C@@H](C4CC4)[C@H]3[C@@H]1CC[C@]21OCC=C1 |r,c:11,30|
BDBM158525 CC[C@]12CC[C@H]3[C@@H](C[C@@H](CO)C4=CC(=O)CC[C@H]34)[C@@H]1CC[C@]21OCC=C1 |r,c:28,t:11|
BDBM50048339 CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)NC(N)=O |r|
BDBM50048340 CC(C)([C@@H]1c2ccc(nc2Oc2c(F)cccc12)-c1ccc(cc1)C(=O)N1CCOCC1)C(=O)Nc1nncs1 |r|
BDBM50068089 CC1(C)CCCN1c1ccc(C#N)c2ccccc12
BDBM50068090 C[C@@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068091 C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068092 OC(=O)c1ccc(N2CCCC2)c2ccccc12
BDBM50068093 CC[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068094 CC(C)[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068095 NC(=O)[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068096 N#C[C@H]1CCCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068097 C[C@H]1[C@@H](O)CCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068098 C[C@H]1[C@H](O)CCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068099 C[C@@H]1N(CCC1=O)c1ccc(C#N)c2ccccc12 |r|
BDBM50068100 C[C@H]1[C@@H](CO)CCN1c1ccc(C#N)c2ccccc12 |r|
BDBM50068101 C[C@H]1[C@H](CCN1c1ccc(C#N)c2ccccc12)C(C)(C)O |r|
BDBM50068102 COC(=O)[C@H]1CCN([C@H]1C)c1ccc(C#N)c2ccccc12 |r|
BDBM50073104 Cc1c(Cl)c(ccc1N1C2CCC1CC(C)(O)C2)C#N |TLB:16:14:8:10.11,THB:15:14:8:10.11|
BDBM50073105 [H][C@]12CC[C@@]([H])(CC(C1)NS(=O)(=O)CC)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@@:7|
BDBM50073106 [H][C@]12CC[C@@]([H])(CC(C1)NS(C)(=O)=O)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@@:7|
BDBM50073107 [H][C@]12CC[C@@]([H])(CC(C1)NCc1ccccc1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@@:7|
BDBM50073108 FC(F)(F)c1cc(ccc1C#N)N1C2CCC1CC(=O)C2
BDBM50073109 [H][C@]12CC[C@@]([H])(CC(C)(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7,TLB:8:7:11:2.3,THB:9:7:11:2.3|
BDBM50073110 [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(C#N)c(c1)C(F)(F)F |r,@:7|
BDBM50073111 [H][C@]12CC[C@]([H])(C[C@H](O)C1)N2c1ccc(C#N)c(Cl)c1 |r,TLB:8:7:10:2.3|
BDBM50051047 CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1
BDBM50051048 CC(C)N(Cc1ccco1)C(=O)c1cc2cc(C)ccc2[nH]1
BDBM50051049 CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cc(C)ccc2[nH]1
BDBM50051050 CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(C)cc2[nH]1
BDBM50051051 CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccccc2[nH]1
BDBM50051052 CN(Cc1cccs1)C(=O)c1cc2ccc(F)cc2[nH]1
BDBM50081069 [H][C@]12CCc3cc(O)ccc3[C@]1(CC)C[C@@](C)(O)[C@@](O)(C2)c1ccccc1 |r|
BDBM50081070 Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3(CCC3)c3cc(F)ccc3Cl)C(F)(F)F)cc12
BDBM50051053 CN(Cc1ccc(Br)s1)C(=O)c1cc2ccc(F)cc2[nH]1
BDBM50051054 Fc1ccc2cc([nH]c2c1)C(=O)N(Cc1ccco1)Cc1ccco1
BDBM50051055 CC(C)N(Cc1ccco1)C(=O)c1cc2cc(ccc2[nH]1)C(F)(F)F
BDBM50051056 COCCN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
BDBM50051057 O=C(N(CCC#N)Cc1ccccc1)c1cc2ccccc2[nH]1
BDBM50051058 CN(Cc1ccc(C)o1)C(=O)c1cc2cc(F)ccc2[nH]1
BDBM50051059 CN(Cc1ccc(Br)o1)C(=O)c1cc2ccc(F)cc2[nH]1
BDBM50051060 CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(F)cc2[nH]1
BDBM50051061 CC(C)N(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1
BDBM50051062 CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2ccc(F)cc2[nH]1
BDBM50051063 CC(C)N(Cc1ccc(C)o1)C(=O)c1cc2cccc(F)c2[nH]1
BDBM50051064 CC(C)N(Cc1ccco1)C(=O)c1cc2ccc(C)cc2[nH]1
BDBM50035571 [H][C@@]12CC(=O)c3cc(ccc3[C@@]1(C)CCC[C@@]2(C)CNC(=O)c1ccccc1)C(C)C |r|
BDBM50057640 [H][C@@]12CC(F)(F)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:9|
BDBM50057641 [H][C@@]12CC(=O)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057642 [H][C@@]12C[C@H](F)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057643 [H][C@@]12C[C@@H](O)CN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057644 [H][C@@]12[C@H](F)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057645 [H][C@@]12[C@@H](F)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057646 [H][C@@]12[C@H](CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C)OC |r,c:7|
BDBM50057647 [H][C@@]12[C@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057648 [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OCCOC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057649 [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC(C)C)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057650 [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OCC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057651 [H][C@@]12[C@@H](O)CCN1N=C([C@H]2OC)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM50057652 [H][C@@]12[C@@H](O)CCN1N=C([C@H]2O)c1ccc(C#N)c(Cl)c1C |r,c:8|
BDBM179163 Cc1ccc(cc1)N1C(=S)N(C(=O)C1(C)C)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179164 CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(O)cc1
BDBM179165 CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccccc1
BDBM179166 Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179168 Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179169 FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)-c2ccccc2)C2(CCC2)C1=O
BDBM179170 Oc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179171 CN=C1N(C(=S)N(c2ccc(C)cc2)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:1.0|
BDBM179172 CCNC(=S)N=C1N(C(=S)N(c2ccc(C)cc2)C1(C)C)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:5.4|
BDBM179173 Cc1ccc(cc1)N1C(=S)N(C(=NC(=S)Nc2ccccc2)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:12.13|
BDBM179174 Cc1ccc(cc1)N1C(=S)N(C(=NC(=S)Nc2ccc(C#N)c(c2)C(F)(F)F)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F |w:12.13|
BDBM179183 NC(=O)CCCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179184 CNC(=O)CCCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179196 CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(OC(=O)CCl)cc1
BDBM179197 Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179198 Cc1ccc(cc1)N1C(=S)N(C(=O)C11CCCCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179200 CN1CCC2(CC1)N(C(=S)N(C2=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(C)cc1
BDBM179201 FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)C#N)C2(CCCC2)C1=O
BDBM179202 [O-][N+](=O)c1ccc(cc1)N1C(=S)N(C(=O)C11CCCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179204 CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(cc1)C(F)(F)F
BDBM179205 Cc1ccc(cc1)N1C(=S)N(C(=O)C1(C)CF)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179206 Cc1ccccc1N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179209 OCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179213 NC(=O)CCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179214 CNC(=O)CCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179215 CS(=O)(=O)N1CCN(CC1)c1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179223 COC(=O)CCCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179224 OCCNC(=O)CCc1ccc(cc1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179225 FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc(cc2)N2CCNCC2)C2(CCC2)C1=O
BDBM179227 CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(N)cc1
BDBM179240 CC1(C)N(C(=S)N(C1=S)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(O)cc1
BDBM179241 CC1(C)N(C(=O)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccc(O)cc1
BDBM179242 Cc1ccc(cc1)N1C(=S)N(C(=O)C1(CCl)CCl)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179243 CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccccn1
BDBM179244 Cc1ccnc(c1)N1C(=S)N(C(=O)C1(C)C)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179253 CC1(C)N(C(=S)N(C1=O)c1ccc([N+]#[C-])c(c1)C(F)(F)F)c1ccccc1C(O)=O
BDBM179254 Cc1cc([nH]n1)N1C(=S)N(C(=O)C11CCC1)c1ccc([N+]#[C-])c(c1)C(F)(F)F
BDBM179255 FC(F)(F)c1cc(ccc1[N+]#[C-])N1C(=S)N(c2ccc3ccccc3c2)C2(CCC2)C1=O
BDBM50114392 [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:25,t:4,23|
BDBM50114395 [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)CC[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:26,t:4,23|
BDBM50114397 [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4C=CCC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:29,t:4,27|
BDBM50125052 C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F |r|
BDBM50125086 OCCN1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)cc1
BDBM50122635 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@@H]1O)c1ccc(C#N)c(I)c1 |r,TLB:16:15:1.7:11|
BDBM50122636 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1C(O)=O)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122637 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1C(=O)OC(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122638 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1C(=O)N(C)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122639 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1N)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122640 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122641 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)NC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122642 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)NC(C)C)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122643 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NC(=O)ON1CCN(C)CC1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122644 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(C)(=O)=O)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122645 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122646 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1ccccc1F)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122647 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)c1cccnc1)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122650 [H][C@]12C(=O)N(C(=O)[C@@]1([H])[C@@]1(C)O[C@]2(C)C[C@H]1NS(=O)(=O)CC)c1ccc(C#N)c(c1)C(F)(F)F |r,TLB:16:15:1.7:11|
BDBM50122949 Cc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122950 COc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122951 Fc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122952 FC(F)(F)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122953 [O-][N+](=O)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122954 Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122957 FC(F)(F)C(=O)Nc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122958 CCN(CC)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122959 CCNc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122960 CN(C)c1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122961 CNc1ccccc1Cc1n[nH]c(=O)c2ccccc12
BDBM50122962 Cc1cccc(C)c1Cc1n[nH]c(=O)c2ccccc12
BDBM50123006 Fc1cccc(F)c1Cc1n[nH]c(=O)c2ccccc12
BDBM50123007 Clc1cccc(Cl)c1Cc1n[nH]c(=O)c2ccccc12
BDBM50123010 Clc1ccc(Cl)c(Cc2n[nH]c(=O)c3ccccc23)c1Cl
BDBM50090462 CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
BDBM50091046 Cc1noc(C)c1-c1cc2c(NC(C)(C)C(=O)C2(C)C)c2CCCc12 |(2.54,-4.54,;3.47,-3.72,;4.98,-4.05,;5.76,-2.71,;4.73,-1.56,;4.98,-.35,;3.33,-2.19,;2.01,-1.4,;.66,-2.12,;-.68,-1.4,;-.68,.15,;-2.01,.93,;-3.37,.15,;-4.42,-.49,;-3.33,1.39,;-3.37,-1.4,;-4.43,-2.04,;-2.01,-2.12,;-.91,-2.7,;-3.09,-2.71,;.66,.93,;.98,2.44,;2.53,2.61,;3.18,1.19,;2.01,.15,)|
BDBM50094957 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)CO)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094958 CNC(=O)c1ccc(cc1F)N1[C@@H](C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094959 CNC(=O)c1ccc(cc1F)N1[C@H](C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094960 CNC(=O)c1ccc(cc1F)N1C(C)C(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094961 CNC(=O)c1ccc(cc1F)N1CCC(=O)N(C1=S)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094962 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(COC)COC)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094963 CCOC(=O)CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NC)c(F)c1
BDBM50094964 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)COCc1ccccc1)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094965 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]1(C)COC)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094966 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@@]1(C)COC)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094967 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C1(C)COC)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094969 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCOCC1)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094970 NC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094971 COC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094972 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094973 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)[C@]11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F |r|
BDBM50094974 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCOC1)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50094975 CNC(=O)c1ccc(cc1F)N1C(=S)N(C(=O)C11CCC1)c1cnc(C#N)c(c1)C(F)(F)F
BDBM50089593 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2c(NS(C)(=O)=O)cccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089603 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cccnc1)c1ccc(F)cc1 |r|
BDBM50089604 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)N1CCOCC1)c1ccc(F)cc1 |r|
BDBM50089605 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1conc1C)c1ccc(F)cc1 |r|
BDBM50089607 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)-c1cc[nH]n1)c1ccc(F)cc1 |r|
BDBM50089631 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(NS(C)(=O)=O)ccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50089633 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(ccc2[nH]1)C(F)(F)F)c1ccc(F)cc1 |r|
BDBM50089636 C[C@@H](N1C(=O)O[C@@](Cc2ccccc2)(C1=O)c1nc2cc(Cl)ccc2[nH]1)c1ccc(F)cc1 |r|
BDBM50112125 [H][C@@]1(CC(C)=C(C)C(=O)O1)[C@](C)(O)[C@]1(O)C[C@H](OC(C)=O)[C@@]2(O)[C@]3([H])CC=C4CC=CC(=O)[C@]4(C)[C@@]3([H])CC[C@]12COC(C)=O |r,c:30,t:4,27|
BDBM50110730 COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|
BDBM50110731 COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-4.78,.91,;-3.72,2.76,;-4.79,2.14,)|
BDBM50110732 COc1cc(F)ccc1-c1c(Cc2ccccc2)[nH]c2c(NS(C)(=O)=O)cc(cc12)C(C)C |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;6.52,-1.28,;7.3,-2.61,;6.54,-3.95,;5,-3.96,;4.22,-2.63,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;-3.72,1.53,;-3.72,2.76,;-4.78,.91,)|
BDBM50110733 COc1cc(F)ccc1-c1c(C)[nH]c2c(NS(C)(=O)=O)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;3.89,.03,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|
BDBM50110734 COc1ccc(Cl)cc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
BDBM50110735 CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1cccc(Cl)c1
BDBM50110736 COc1ccccc1-c1c[nH]c2c(NS(C)(=O)=O)cccc12
BDBM50110737 COc1cc(F)ccc1-c1c(CN(C)Cc2ccccc2)[nH]c2c(N)cc(F)cc12 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;3.84,6.7,;4.33,4.34,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;4.2,.03,;4.98,-1.29,;4.37,-2.37,;6.52,-1.28,;7.3,-2.61,;8.84,-2.59,;9.62,-3.92,;8.87,-5.26,;7.33,-5.27,;6.54,-3.95,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.03,-2.79,;-2.38,-.77,;-2.38,.77,;-3.45,1.38,;-1.03,1.55,;.3,.77,)|
BDBM50110738 COc1ccc(F)cc1-c1c[nH]c2c(NC(C)=O)cccc12
BDBM50110739 COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3ccccc3)c2c1
BDBM50110743 COc1cc(NS(C)(=O)=O)c2[nH]c(C)c(-c3cc(F)ccc3OC)c2c1 |(-3.72,2.76,;-3.72,1.53,;-2.38,.77,;-2.38,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;.3,-.77,;1.76,-1.24,;2.66,.02,;3.89,.03,;1.76,1.24,;2.23,2.7,;3.76,2.91,;4.33,4.34,;5.55,4.52,;3.38,5.55,;1.86,5.34,;1.29,3.91,;-.24,3.69,;-1,4.66,;.3,.77,;-1.03,1.55,)|
BDBM50110750 CS(=O)(=O)Nc1cccc2cc[nH]c12
BDBM50110751 COc1ccc(F)cc1-c1c([nH]c2c(NS(C)(=O)=O)cccc12)-c1ccccc1 |(-1,4.66,;-.24,3.69,;1.29,3.91,;1.86,5.34,;3.38,5.55,;4.33,4.34,;5.55,4.52,;3.76,2.91,;2.23,2.7,;1.76,1.24,;2.66,.02,;1.76,-1.24,;.3,-.77,;-1.03,-1.55,;-1.02,-3.09,;-2.35,-3.87,;-3.42,-3.26,;-2.35,-5.1,;-3.42,-4.49,;-2.38,-.77,;-2.38,.77,;-1.03,1.55,;.3,.77,;4.2,.03,;5.05,1.3,;6.59,1.2,;7.27,-.19,;6.41,-1.46,;4.87,-1.36,)|
BDBM50110789 CS(=O)(=O)Nc1cccc2c(c[nH]c12)-c1ccc(F)cc1
BDBM238895 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cnc(C#N)c(c1)C(F)(F)F |r|
BDBM239191 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)C#N)C(F)(F)F |r|
BDBM239316 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cncc(c1)C(F)(F)F |r|
BDBM239363 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(ccn1)C(F)(F)F |r|
BDBM239507 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
BDBM242578 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1cc(c(cn1)[N+]([O-])=O)C(F)(F)F |r|
BDBM242588 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(NC(=O)CCl)c(c1)C(F)(F)F |r|
BDBM242618 C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)C(=O)Nc1ccc(C(S(=O)(=O)C=C)S(=O)(=O)C=C)c(c1)C(F)(F)F |r|
BDBM50213061 CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C |r|
BDBM50204240 [H][C@@]12C[C@@H](O)[C@@]([H])(C1)[C@]1([H])CN(c3ccc(C#N)c(c3)C(F)(F)F)S(=O)(=O)[C@]21C |r|
BDBM50204241 [H][C@]12CC[C@]([H])(C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
BDBM50204242 [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
BDBM50204243 [H][C@]12CC[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
BDBM50204244 [H][C@]12CC[C@]([H])(C1O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10|
BDBM50204245 [H][C@@]12C[C@@]([H])(C=C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5|
BDBM50204246 [H][C@]12CC[C@]([H])(C1)[C@]1(C(N)=O)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
BDBM50204247 [H][C@]12C[C@H](O)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
BDBM50204248 [H][C@@]12C[C@@]([H])(C=C1)[C@]1([H])[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,c:5|
BDBM50204249 [H][C@]12CC[C@]([H])(C1=O)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r,TLB:7:6:2.3:8.10|
BDBM50204250 [H][C@]12C[C@H](F)[C@]([H])(C1)[C@]1(C)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
BDBM50204251 [H][C@]12CC[C@]([H])(C1)[C@]1(C(=O)NC)[C@@]2([H])CN(c2ccc(C#N)c(c2)C(F)(F)F)S1(=O)=O |r|
BDBM50216166 [H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])NC(=O)CC[C@]12C |r|
BDBM50203438 C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|
BDBM50199111 COC(=O)CCCCCCCc1ccc(cc1F)N1C(=S)N(C(=O)C1(C)C)c1ccc(C#N)c(c1)C(F)(F)F
BDBM50199112 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=O)c(F)c1
BDBM50199113 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)Nc2ccccc2N)c(F)c1
BDBM50199114 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCOCCC(=O)NO)c(F)c1
BDBM50199115 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCn2cccc(O)c2=S)c(F)c1
BDBM50199116 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCC(=O)Nc2ccccc2N)c(F)c1
BDBM50199117 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCC(=O)NO)c(F)c1
BDBM50199118 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)OCCCCCC(=O)NO)c(F)c1
BDBM50199119 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(\C=C\C(=O)Nc2ccccc2N)c(F)c1
BDBM50199120 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCn2cccc(O)c2=O)c(F)c1
BDBM50199121 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCc2ccc(s2)C(=O)C(F)(F)F)c(F)c1
BDBM50199122 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(Cn2ccc3cc(\C=C\C(=O)NO)ccc23)c(F)c1
BDBM50199123 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCCCCNS(N)(=O)=O)c(F)c1
BDBM50199124 CC1(C)N(C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(C(=O)NCCCNS(N)(=O)=O)c(F)c1
BDBM50160763 CCOC(=O)C(CC)Oc1ccc2c(C)cc(=O)oc2c1
BDBM50160764 Cc1cc(=O)oc2cc(OCC(=O)C(C)(C)C)ccc12
BDBM50160765 CC(Oc1ccc2c(C)cc(=O)oc2c1)C(=O)c1ccccc1
BDBM50180693 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccc(Cl)o1)C(F)(F)F
BDBM50180694 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccc(Cl)s1)C(F)(F)F
BDBM50180695 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1ccco1)C(F)(F)F
BDBM50180700 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1cocn1)C(F)(F)F
BDBM50180707 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1cscn1)C(F)(F)F
BDBM50180760 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(c1nccs1)C(F)(F)F
BDBM50180761 OC(c1ccc(Cl)s1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180762 OC(c1ccc(Cl)o1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180791 OC(c1nccs1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180792 OC(c1cscn1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180793 OC(c1ccco1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180794 OC(c1cocn1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180795 Cc1c(Cl)c(ccc1C(O)(C#CC1CC1)C(F)(F)F)C#N
BDBM50180796 Cc1c(Cl)c(ccc1C(O)(C#CC(C)(C)C)C(F)(F)F)C#N
BDBM50180797 Cc1c(Cl)c(ccc1C(O)(CC(C)(C)C)C(F)(F)F)C#N
BDBM50180798 Cc1c(Cl)c(ccc1C(O)(C(C)(C)C)C(F)(F)F)C#N
BDBM50180799 Cc1c(Cl)c(ccc1C(O)(C1CC1)C(F)(F)F)C#N
BDBM50180800 CC(C)C(O)(c1ccc(C#N)c(Cl)c1C)C(F)(F)F
BDBM50180801 CCC(O)(c1ccc(C#N)c(Cl)c1C)C(F)(F)F
BDBM50180802 Cc1c(Cl)c(ccc1C(O)(C(F)(F)F)C(F)(F)F)C#N
BDBM50180803 CC(C)(C)CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
BDBM50180804 CC(C)CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
BDBM50180805 OC(C1CCC1)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
BDBM50180806 OC(C1CC1)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
BDBM50180807 CC(C)C(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
BDBM50180808 CCC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
BDBM50180809 CC(O)(c1ccc(C#N)c(Cl)c1Cl)C(F)(F)F
BDBM50180810 OC(C1CCCC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
BDBM50180811 OC(C1CCC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
BDBM50180812 OC(C1CC1)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
BDBM50180813 CC(C)(C)C(O)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
BDBM50180814 CC(C)C(O)(c1ccc(C#N)c(Cl)c1)C(F)(F)F
BDBM50180815 Cc1c(C)c(ccc1C#N)C(O)(CC(C)(C)C)C(F)(F)F
BDBM50180816 Cc1c(C)c(ccc1C#N)C(O)(C1CC1)C(F)(F)F
BDBM50180817 CC(C)C(O)(c1ccc(C#N)c(C)c1C)C(F)(F)F
BDBM50180818 Cc1c(C)c(ccc1C#N)C(C)(O)C(F)(F)F
BDBM50180819 C\C=C(/C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180820 CC(=C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180821 OC(C=C)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180822 OC(C1CCC1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180823 OC(C1CC1)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180824 OCC(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180825 CC(C)C(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180826 CCC(O)(c1ccc(C#N)c(c1)C(F)(F)F)C(F)(F)F
BDBM50180827 OC(c1ccc(C#N)c(c1)C(F)(F)F)(C(F)(F)F)C(F)(F)F
BDBM50180828 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C1CCC1)C(F)(F)F
BDBM50180829 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C1CC1)C(F)(F)F
BDBM50180830 CC(C)C(O)(c1ccc(C#N)c(c1C)C(F)(F)F)C(F)(F)F
BDBM50180831 Cc1c(ccc(C#N)c1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
BDBM50180832 Cc1c(ccc(C#N)c1C(F)(F)F)C(C)(O)C(F)(F)F
BDBM50180833 Cc1c(ccc(C#N)c1C(F)(F)F)C(C)(C)C(O)C(F)(F)F
BDBM50203153 FC(F)(F)c1cccc(c1)S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1
BDBM50203417 C[C@H](NS(=O)(=O)C1CC1)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50203418 C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc2ccccc2c1 |r|
BDBM50203419 C[C@H](NC(=O)C(F)(F)F)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccccc1 |r|
BDBM50203420 CSc1ccc(cc1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NS(=O)(=O)C1CC1 |r|
BDBM50203421 C[C@H](NC(=O)CO)[C@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)c1ccc(cc1)S(C)(=O)=O |r|
BDBM50203422 COc1ccc(cn1)[C@@H](Oc1ccc2n(ncc2c1)-c1ccc(F)cc1)[C@H](C)NC(=O)C1CC1 |r|
BDBM50199857 [H][C@@]12CCc3c(O)c(ccc3[C@@]1(C)CCC1=C2COC1=O)C(C)C |r,c:17|
BDBM148345 Cc1ccc2cc(OCCCN3C(=O)N(C(=O)C3(C)C)c3ccc(C#N)c(c3)C(F)(F)F)ccc2[n+]1[O-]
BDBM148346 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc3ccc[n+]([O-])c3c2)C(C)(C)C1=O)C#N
BDBM50145860 Cc1c(N[C@@H]2COC[C@@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50145861 Cc1c(N[C@@H]2CCCC[C@@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50145862 Cc1c(N[C@@H]2CCC[C@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50145863 Cc1c(N[C@@H]2CCC[C@@]2(C)O)ccc(C#N)c1Cl |r|
BDBM50189312 CC(O)(CSc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM50189313 CC(O)(CS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O
BDBM143701 CC1(C)N(CCCOc2ccc(CN3CCC(O)C3)cc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143702 CN(C)Cc1ccc(OCCCN2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1
BDBM143704 CN(C)Cc1ccc(OCCCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1
BDBM143705 CCNCc1ccc(OCCCN2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(Cl)c2)c(Cl)c1
BDBM143706 CC1(C)N(CCCOc2ccc(cc2Cl)S(C)(=O)=O)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM143707 CC1(C)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM143709 CC1(C)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM143710 CC1(C)N(CCCOc2ccc(cc2Cl)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM143716 CC1(C)NC(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM143717 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM143718 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2Cl)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM143720 Cc1c(Cl)c(ccc1N1C(=O)NC(C)(C)C1=O)C#N
BDBM143725 CC1(C)N(CCCOc2ccc(cc2)-c2cccnc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143726 CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143728 CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143729 CC1(C)N(CCCOc2cccc(c2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143731 CC1(C)N(CCCOc2ccc(cc2F)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143732 CC1(C)N(CCCOc2ccc(c(Cl)c2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143733 CC1(C)N(CCCOc2ccc(-c3ccncc3)c(c2)C(F)(F)F)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143735 CC1(C)N(CCCOc2ccc(cc2C(F)(F)F)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143736 Cc1ccc(cn1)-c1ccc(OCCCN2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(c2)C(F)(F)F)cc1
BDBM143738 CC1(C)N(CCCOc2ccc(cc2)-c2ccnc(F)c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143739 CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM143799 CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM144438 CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(F)c1
BDBM144439 CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(F)c1
BDBM144441 CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM144442 CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM144449 CC1(C)N(CCCOc2ccc(cc2)-c2cccnc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM144722 CC1(C)N(CCCOc2ccc(cn2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM144727 CC1(C)N(CCCOc2ccc(cc2F)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM144728 CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM144754 CC1(C)N(CCCOc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM144926 CC1(C)N(CCCCOc2ccc(cc2)-c2cccnc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM145865 CC1(C)N(CCCOc2ccc(-c3ccncc3)c(c2)C(F)(F)F)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM145870 CC1(C)N(CCCOc2ccc(nc2)-c2ccncc2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM145873 CC1(C)N(CCCOc2ccc(nc2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM145877 CC1(C)N(CCCOc2ccc(cn2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM145906 CC1(C)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM145914 CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM145915 CC1(C)N(CCCOc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM145916 CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM145917 CC1(C)N(CCCOc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM145918 CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=S)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM145959 CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2)C(=O)CN(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM146684 CC1(C)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(F)c1
BDBM146819 CC1(C)N(CCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM146820 CC1(C)N(CCCOc2ccc(cc2F)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM146847 CC1(C)N(Cc2ccc(cc2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM146848 CC1(C)N(Cc2ccc(cc2)-c2cccnc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM146849 Fc1cc(OCCCN2C(=O)N(C(=O)C22CCCC2)c2ccc(C#N)c(Cl)c2)ccc1-c1ccncc1
BDBM146850 Cc1c(F)c(ccc1N1C(=O)N(CCCOc2ccc(cc2F)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM146851 Cc1c(F)c(ccc1N1C(=O)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM146852 Cc1c(F)c(ccc1N1C(=O)N(CCCOc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM146873 Cc1cc(OCCCN2C(=O)N(C(=O)C2(C)C)c2ccc(C#N)c(Cl)c2)ccc1-c1cc[n+]([O-])cc1
BDBM146874 CC1(C)N(CCCOc2ccc(cn2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM146875 CC1(C)N(CCCOc2ccc(cc2F)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM146885 CC1(C)N(Cc2ccc(c(F)c2)-c2ccncc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM146899 CC1(C)N(Cc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM146901 COc1cc(ccc1OCCCN1C(=O)N(C(=O)C1(C)C)c1ccc(C#N)c(Cl)c1)-c1ccncc1
BDBM146917 CC1(C)N(CCCOc2ccc(cc2)-c2ccncc2F)C(=O)N(C1=O)c1ccc(C#N)c(Cl)c1
BDBM146943 CC1(C)N(C(=O)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F)c1ccc(cc1)-c1ccncc1
BDBM146944 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=O)N(c2ccc(cc2)-c2cccnc2)C(C)(C)C1=O
BDBM146945 Cc1c(Cl)c(ccc1N1C(=O)N(Cc2ccc(cc2)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM146946 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=O)N(c2ccc(cc2)-c2ccncc2)C(C)(C)C1=O
BDBM147149 Cc1c(Cl)c(ccc1N1C(=O)N(Cc2ccc(cc2)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM147151 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(cc2)-c2cccnc2)C1=S)C#N
BDBM147153 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(cc2)-c2ccncc2)C1=S)C#N
BDBM147166 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(cc2)-c2cncnc2)C1=S)C#N
BDBM147167 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(cc2)-c2ccncc2)C(C)(C)C1=O
BDBM147180 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(cc2F)-c2cccnc2)C(C)(C)C1=O)C#N
BDBM147181 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(cc2F)-c2ccccn2)C(C)(C)C1=O)C#N
BDBM147209 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(cc2F)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM147227 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(cc2C(F)(F)F)-c2ccncc2)C(C)(C)C1=O
BDBM147228 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(cc2C(F)(F)F)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM147229 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(cc2F)-c2ccncc2)C(C)(C)C1=O
BDBM147230 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM147231 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(C)(C)C1=O
BDBM147245 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C(C)(C)C1=O
BDBM147246 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(cc2Cl)-c2ccncc2)C1=S)C#N
BDBM148292 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(cn2)-c2ccncc2)C1=S)C#N
BDBM148293 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(-c3ccncc3)c(c2)C(F)(F)F)C(C)(C)C1=O)C#N
BDBM148294 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(-c3ccncc3)c(c2)C(F)(F)F)C(C)(C)C1=O
BDBM148295 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(nc2)-c2ccncc2)C1=S)C#N
BDBM148296 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(Oc3ccc(Cl)nc3)nc2)C1=S)C#N
BDBM148298 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(c(Cl)c2)-c2ccncc2)C1=S)C#N
BDBM148299 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(c(Cl)c2)-c2ccncc2)C(C)(C)C1=O
BDBM148300 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM148301 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(cc2)-c2ccnc(F)c2)C(C)(C)C1=O)C#N
BDBM148302 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(-c3ccncc3)c(c2)C#N)C1=S)C#N
BDBM148303 Cc1c(ccc(C#N)c1C(F)(F)F)N1C(=S)N(CCCOc2ccc(cc2)-c2ccncc2F)C(C)(C)C1=O
BDBM148304 Cc1c(Cl)c(ccc1N1C(=O)C(C)(C)N(CCCOc2ccc(cc2)-c2ccncc2Cl)C1=S)C#N
BDBM148305 CN(C)c1ccc(cn1)-c1ccc(OCCCN2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(Cl)c2C)cc1
BDBM148306 CN(C)c1ccc(cn1)-c1ccc(OCCCN2C(=S)N(C(=O)C2(C)C)c2ccc(C#N)c(Cl)c2C)cc1F
BDBM148307 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc(c(Cl)c2)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM148310 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(c(F)c2)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM148311 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(c(F)c2)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM148312 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(c(Cl)c2)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM148313 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(c(Cl)c2)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM148314 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2F)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM148315 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM148316 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2F)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM148317 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM148318 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2C(F)(F)F)-c2ccncc2)C(C)(C)C1=O)C#N
BDBM148319 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2)-c2ccncc2Cl)C(C)(C)C1=O)C#N
BDBM148320 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2)-c2ccncc2F)C(C)(C)C1=O)C#N
BDBM148322 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2Cl)C(C)(C)C1=O)C#N
BDBM148323 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2)-c2cc[n+]([O-])cc2F)C(C)(C)C1=O)C#N
BDBM148324 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(cc2C(F)(F)F)-c2cc[n+]([O-])cc2)C(C)(C)C1=O)C#N
BDBM148326 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(-c3ccncc3)c(c2)C(F)(F)F)C(C)(C)C1=O)C#N
BDBM148327 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc(-c3cc[n+]([O-])cc3)c(c2)C(F)(F)F)C(C)(C)C1=O)C#N
BDBM148331 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc3ncccc3c2)C(C)(C)C1=O)C#N
BDBM148332 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc3cccnc3c2)C(C)(C)C1=O)C#N
BDBM148333 Cc1c(Cl)c(ccc1N1C(=O)N(CCCOc2ccc3cccnc3c2)C(C)(C)C1=O)C#N
BDBM148335 Cc1c(Cl)c(ccc1N1C(=S)N(CCCOc2ccc3cnccc3c2)C(C)(C)C1=O)C#N
BDBM148336 CC1(C)N(CCCOc2ccc3ccncc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM148337 CC1(C)N(CCCOc2ccc3ncccc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM148338 CC1(C)N(CCCOc2ccc3cccnc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM148339 CC1(C)N(CCCOc2ccc3ncncc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM148341 CC1(C)N(CCCOc2ccc3cnccc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM148342 CC1(C)N(CCCOc2ccc3[n+]([O-])cccc3c2)C(=S)N(C1=O)c1ccc(C#N)c(c1)C(F)(F)F
BDBM148344 Cc1ccc2cc(OCCCN3C(=O)N(C(=O)C3(C)C)c3ccc(C#N)c(c3)C(F)(F)F)ccc2n1
BDBM50225981 [H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(C)\C(CC[C@]12C)=N\O
BDBM50225983 [H][C@@]12CC[C@H](C(=O)NCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50225984 [H][C@@]12CC[C@H](C(=O)NC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50225985 [H][C@@]12CC[C@H](C(=O)NCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50225986 CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)[C@@H](C)C[C@]4(C)[C@H]3CC[C@]12C |r|
BDBM50225996 [H][C@@]12CC[C@H](C(N)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50226040 [H][C@@]12CC[C@H](C(=O)N(CCCCCCCC)CCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50226045 [H][C@@]12CC[C@H](C(=O)N(CC)CC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])N(CC)C(=O)CC[C@]12C
BDBM50226046 [H][C@@]12CC[C@H](C(=O)C=[N+]=[N-])[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50226047 [H][C@@]12CC[C@H](C(=O)NCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50226048 [H][C@@]12CC[C@H](C(=O)NCCCCCCCCCCCCCCCCCC)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2N(C)C(=O)CC[C@]12C |r|
BDBM50226049 [H][C@@]12CC[C@H](C(=O)N(C(C)C)C(C)C)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2NC(=O)CC[C@]12C |r|
BDBM50226050 CCN(CC)C(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)C[C@H](C)[C@]4(C)[C@H]3CC[C@]12C |r|