0 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,0,0,0,0,0|0,0,2]=3 1 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,0,0,0,0,0|1,0,2]=4 2 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,0,0,0,0,0|1,0,2]=4 3 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,0,0,0,0,0|1,0,2]=4 4 B11R1.91 CC(C)=NNc1ccccc1 T29585 [1,0,0,0,0,0|2,0,1]=4 5 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,0,0,0,0,0|1,0,1]=3 6 B13R1.353 CC(C)(C)C(=O)Nc1ccccc1 T20498 [0,1,0,0,0,0|2,0,1]=4 7 B13R1.353 CC(C)(C)[N+](/[O-])=C/c1ccccc1 T23046 [0,1,0,0,0,0|2,0,1]=4 8 B13R1.512 C[N+](C)(C)CCC1=CC=C(C=C1)O TN7064 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.838 C[N+](C)(C)CCc1cccc(O)c1 T32647 [0,1,0,0,0,0|2,0,0]=3 10 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [0,0,0,0,1,0|1,0,0]=2 11 B10R1.17 CCOCc1ccccc1 T36790 [2,0,0,0,0,0|1,0,0]=3 12 B10R1.17 CNCCc1ccccn1 T0246 [2,0,0,0,0,0|2,0,0]=4 13 B10R1.17 CNCCc1ccccn1 T0246L [2,0,0,0,0,0|2,0,0]=4 14 B10R1.17 CNCCc1ccccn1 T4195 [2,0,0,0,0,0|2,0,0]=4 15 B10R1.17 NNCCc1ccccc1 T12441 [2,0,0,0,0,0|2,0,0]=4 16 B10R1.17 NNCCc1ccccc1 T50010 [2,0,0,0,0,0|2,0,0]=4 17 B10R1.17 O=CCCc1ccccc1 T20312 [2,0,0,0,0,0|0,0,2]=4 18 B10R1.17 OC/C=C/c1ccccc1 TN2982 [2,0,0,0,0,0|0,0,2]=4 19 B10R1.17 OCC=Cc1ccccc1 T5S1550 [2,0,0,0,0,0|0,0,2]=4 20 B10R1.17 OCCCc1ccccc1 T3754 [2,0,0,0,0,0|0,0,0]=2 21 B10R1.17 OCCOc1ccccc1 T20293 [2,0,0,0,0,0|1,0,0]=3 22 B12R1.21 CC(=O)CCc1ccc(O)cc1 T2S0633 [1,1,0,0,0,0|0,0,2]=4 23 B12R1.21 CN(C)CCc1ccc(O)cc1 T2890 [1,1,0,0,0,0|1,0,0]=3 24 B12R1.21 C[C@@H](O)CCc1ccc(O)cc1 T19924 [1,1,0,0,0,0|0,0,0]=2 25 B12R1.21 C[C@H](O)CCc1ccc(O)cc1 TN4909 [1,1,0,0,0,0|0,0,0]=2 26 B12R1.21 OC(=O)CCc1ccc(O)cc1 T2862 [1,1,0,0,0,0|1,0,1]=4 27 B12R1.21 c1(ccc(cc1)CC[C@@H](O)C)O T34321 [1,1,0,0,0,0|0,0,0]=2 28 B12R1.27 COC(=O)CCc1ccccc1 T9513 [1,1,0,0,0,0|0,0,2]=4 29 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [1,1,0,0,0,0|1,0,1]=4 30 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [1,1,0,0,0,0|2,0,0]=4 31 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [1,1,0,0,0,0|1,0,1]=4 32 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [1,1,0,0,0,0|1,0,1]=4 33 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [1,1,0,0,0,0|1,0,1]=4 34 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [1,1,0,0,0,0|1,0,1]=4 35 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [1,1,0,0,0,0|1,0,1]=4 36 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [1,1,0,0,0,0|1,0,1]=4 37 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [1,1,0,0,0,0|0,0,1]=3 38 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [1,1,0,0,0,0|1,0,1]=4 39 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [1,1,0,0,0,0|1,0,1]=4 40 B12R1.125 CC(N)CCc1ccccc1Cl T24797 [1,1,0,0,0,0|1,0,0]=3 41 B12R1.125 OC(=O)CCc1ccccc1O T4892 [1,1,0,0,0,0|1,0,1]=4 42 B12R1.226 CC(O)CCc1cccc(O)c1 TN5707 [1,1,0,0,0,0|0,0,0]=2 43 B12R1.226 OC(=O)CCc1cccc(O)c1 T7437 [1,1,0,0,0,0|1,0,1]=4 44 B12R1.106 CC(C)(N)Cc1ccc(Cl)cc1 T30901 [0,1,0,0,1,0|1,0,0]=3 45 B12R1.151 CC(C)(N)Cc1ccccc1Cl T30986 [0,1,0,0,1,0|1,0,0]=3 46 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,1,0|1,0,0]=3 47 B12R1.564 CC(C)(C)C(=O)c1ccccc1 T20369 [0,1,0,0,1,0|1,0,1]=4 48 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,1,0,0,1,0|1,0,0]=3 49 B14R1.684 C[N+](C)(C)CCC1=CC(=C(C=C1)O)O TN7066 [0,2,0,0,0,0|2,0,0]=4 50 B12R2.24 CC1CCc2ccccc2N1 T20448 [1,0,0,1,0,0|1,0,0]=3 51 B12R2.24 O=C1CCc2ccccc2C1 T0660 [1,0,0,1,0,0|0,0,2]=4 52 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [1,0,0,1,0,0|1,0,1]=4 53 B14R2.4491 CC1(C)Oc2cc(O)ccc2C=C1 TN3226 [0,1,0,1,0,0|0,0,2]=4 54 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,1,0|1,0,0]=3 55 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,1,0|1,0,0]=3 56 B12R1.252 CC(=O)OCCc1ccccc1 TN6877 [1,0,0,0,0,1|0,0,2]=4 57 B12R1.252 OC(=O)CCCc1ccccc1 T5886 [1,0,0,0,0,1|1,0,1]=4