0 B11R1.16 O=C(CCCl)c1ccccc1 T1342 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,0,0,0,0,0|2,0,1]=4 2 B10R1.15 NCC(O)c1ccccc1 T4873 [1,0,0,0,0,0|1,0,0]=2 3 B10R1.15 OCC(O)c1ccccc1 T1346 [1,0,0,0,0,0|2,0,0]=3 4 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 OCCCC1=CC=CC=C1 T3754 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|3,0,0]=4 10 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,1,0,0,0,0|2,0,1]=4 11 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,1,0,0,0,0|1,0,0]=2 12 B12R1.16 CNCC(O)c1ccc(O)cc1 T6688 [0,1,0,0,0,0|1,0,0]=2 13 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,1,0,0,0,0|1,0,0]=2 14 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,1,0,0,0,0|2,0,0]=3 15 B12R1.32 C#CCN(C)Cc1ccccc1 T0300 [0,0,0,0,0,1|2,0,1]=4 16 B12R1.32 C#CCN(C)Cc1ccccc1 T1578 [0,0,0,0,0,1|2,0,1]=4 17 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|1,0,1]=4 18 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,0]=3 19 B9R1.6 N=C(N)c1ccccc1 T8362 [2,0,0,0,0,0|1,0,1]=4 20 B9R1.6 NC(=O)C1=CC=CC=C1 T6780 [2,0,0,0,0,0|1,0,1]=4 21 B9R1.8 NCCC1=NC=CC=C1 T22501 [2,0,0,0,0,0|1,0,0]=3 22 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|0,0,0]=2 23 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|0,0,0]=2 24 B9R1.8 O=CCC1=CC=CC=C1 TCS1857 [2,0,0,0,0,0|1,0,1]=4 25 B9R1.8 OCCC1=CC=CC=C1 T0011 [2,0,0,0,0,0|1,0,0]=3 26 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|2,0,0]=4 27 B11R1.22 CCC(=O)c1ccc(O)cc1 T0021 [1,1,0,0,0,0|1,0,1]=4 28 B11R1.22 CCC(C)C1=CC=C(O)C=C1 T12515 [1,1,0,0,0,0|0,0,0]=2 29 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|1,0,0]=3 30 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,0]=3 31 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|2,0,0]=4 32 B11R1.91 CC(=O)CCC1=CC=CC=C1 TCS1709 [1,1,0,0,0,0|1,0,0]=3 33 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|2,0,0]=4 34 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|2,0,0]=4 35 B11R1.91 O=C(O)CCc1ccccc1 T3731 [1,1,0,0,0,0|2,0,0]=4 36 B13R1.713 NCC(CC(=O)O)c1ccccc1 T2990 [0,2,0,0,0,0|2,0,0]=4 37 B13R1.713 [C@H](CN)(CC(=O)O)c1ccccc1 T8639 [0,2,0,0,0,0|2,0,0]=4 38 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T0948 [0,2,0,0,0,0|1,0,1]=4 39 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T1071L [0,2,0,0,0,0|1,0,0]=3 40 B13R1.466 CNC[C@H](O)C1=CC=C(O)C(O)=C1 T6489 [0,2,0,0,0,0|1,0,0]=3 41 B13R1.18 CCNCC(O)c1cccc(O)c1 T3264 [0,2,0,0,0,0|1,0,0]=3 42 B11R2.1 O=C1CCc2ccccc21 T0564 [1,0,0,1,0,0|1,0,1]=4 43 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|0,0,0]=2 44 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|0,0,0]=2 45 B13R2.3 C1=CN=CC([C@@H]2CCCCN2)=C1 T22571 [0,1,0,1,0,0|2,0,0]=4 46 B13R2.3 c1ccc(N2CCNCC2)nc1 T5105 [0,1,0,1,0,0|2,0,0]=4 47 B13R2.3 c1cncc(C2CCCCN2)c1 T6060 [0,1,0,1,0,0|2,0,0]=4 48 B9R1.12 CNCCC1=CN=CN1 T23038 [1,0,0,0,1,0|2,0,0]=4