0 B11R1.16 CCCC(=O)c1ccccc1 T20324 [1,0,0,0,0,0|1,0,2]=4 1 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [1,0,0,0,0,0|1,0,0]=2 3 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [1,0,0,0,0,0|2,0,1]=4 4 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [1,0,0,0,0,0|2,0,1]=4 6 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [1,0,0,0,0,0|2,0,1]=4 7 B11R1.40 CC(Cc1ccccc1)NN T24631 [1,0,0,0,0,0|1,0,0]=2 8 B13R1.22 CNC(C)C(O)c1cccc(O)c1 T29408 [0,1,0,0,0,0|0,0,0]=1 9 B13R1.47 CCOC(=O)C(O)c1ccccc1 T20321 [0,1,0,0,0,0|2,0,1]=4 10 B10R1.15 CC(NN)c1ccccc1 T33268 [2,0,0,0,0,0|2,0,0]=4 11 B10R1.15 CNC(=O)c1ccccc1 T12150 [2,0,0,0,0,0|0,0,2]=4 12 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [2,0,0,0,0,0|0,0,2]=4 13 B10R1.15 NCC(O)c1ccccc1 T4873 [2,0,0,0,0,0|0,0,0]=2 14 B10R1.15 OC(C=C)c1ccccc1 T50007 [2,0,0,0,0,0|0,0,2]=4 15 B10R1.15 OCC(O)c1ccccc1 T1346 [2,0,0,0,0,0|1,0,0]=3 16 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|1,0,0]=3 18 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|1,0,0]=3 19 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|1,0,0]=3 20 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|1,0,0]=3 21 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|1,0,0]=3 22 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|2,0,0]=4 23 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|2,0,0]=4 24 B10R1.18 CC(N)Cc1ccccc1 T25082 [2,0,0,0,0,0|0,0,0]=2 25 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [2,0,0,0,0,0|0,0,0]=2 26 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [1,1,0,0,0,0|0,0,0]=2 27 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.17 CNCC(O)c1cccc(O)c1 T0453L [1,1,0,0,0,0|0,0,0]=2 29 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [1,1,0,0,0,0|0,0,0]=2 30 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T17310 [1,1,0,0,0,0|0,0,0]=2 31 B12R1.30 CCCCC(O)c1ccccc1 T0857 [1,1,0,0,0,0|1,0,0]=3 32 B12R1.225 CC(N)C(C)c1cccc(Cl)c1 T33976 [1,1,0,0,0,0|1,0,0]=3 33 B12R1.225 CC(N)C(O)c1cccc(O)c1 T0279L2 [1,1,0,0,0,0|0,0,0]=2 34 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279 [1,1,0,0,0,0|0,0,0]=2 35 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279L [1,1,0,0,0,0|0,0,0]=2 36 B12R1.225 OC(C(Cl)Cl)c1cccc(Cl)c1 T30419 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [1,1,0,0,0,0|1,0,1]=4 38 B12R1.564 CC(C)(C)C(=O)c1ccccc1 T20369 [1,1,0,0,0,0|0,0,2]=4 39 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [1,1,0,0,0,0|1,0,0]=3 40 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [1,1,0,0,0,0|0,0,0]=2 41 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [1,1,0,0,0,0|0,0,0]=2 42 B14R1.85 CCN(C)C(C)C(O)c1ccccc1 T31684 [0,1,0,0,0,1|2,0,0]=4 43 B14R1.1003 CCC(N)C(O)c1ccc(O)c(O)c1 T25398 [0,2,0,0,0,0|2,0,0]=4 44 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [1,0,0,1,0,0|1,0,0]=3 45 B12R2.24 CC1CCc2ccccc2N1 T20448 [1,0,0,1,0,0|2,0,0]=4 46 B14R2.21 CC1CCOC(O1)c2ccccc2 T29279 [0,0,0,1,0,1|1,0,0]=3 47 B14R2.24 C[C@@H]1COCO[C@@H]1c2ccccc2 T33259 [0,1,0,1,0,0|1,0,0]=3