0 B11R1.40 C/C(C=O)=C/c1ccccc1 T29898 [0,0,0,0,0,0|2,0,2]=4 1 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,0,0,0,0,0|1,0,0]=1 2 B10R1.17 CCOCc1ccccc1 T36790 [1,0,0,0,0,0|2,0,0]=3 3 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|1,0,0]=2 4 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|1,0,0]=2 5 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|1,0,0]=2 6 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|1,0,0]=2 7 B10R1.17 NNCCc1ccccc1 T50010 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.17 OCCCc1ccccc1 T3754 [1,0,0,0,0,0|2,0,0]=3 10 B10R1.17 OCCOc1ccccc1 T20293 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,0,0,0,0,0|2,0,1]=4 13 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,0,0,0,0,0|0,0,0]=1 15 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,0,0,0,0,0|0,0,0]=1 16 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,1,0,0,0,0|2,0,1]=4 17 B12R1.32 CN(CC#C)Cc1ccccc1 T0300 [0,1,0,0,0,0|2,0,1]=4 18 B12R1.32 CN(CC#C)Cc1ccccc1 T1578 [0,1,0,0,0,0|2,0,1]=4 19 B12R1.32 CN(CCO)Cc1cccnc1 T32276 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,1,0,0,0,0|2,0,1]=4 21 B12R1.43 C(=O)([C@H](N)Cc1ccccc1)O T0689 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,1,0,0,0,0|0,0,0]=1 23 B12R1.43 N[C@@H](Cc1ccccc1)C(O)=O TN1592 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.43 [15NH2][C@@H](CC1=CC=CC=C1)C(O)=O T40376 [0,1,0,0,0,0|3,0,0]=4 28 B12R1.43 c1ccc(cc1)C[C@@H](C(=O)O)N T3377 [0,1,0,0,0,0|3,0,0]=4 29 B12R1.49 COC(=O)Cc1ccc(O)cc1 TN1436 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.50 CNC(=O)Oc1cccc(C)c1 T21216 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,0,0|0,0,0]=1 32 B12R2.18 C[C@H]1[C@@H](O)Cc2ccncc12 TN3378 [0,0,0,1,0,0|3,0,0]=4 33 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,0,0,1,0,0|2,0,0]=3 34 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,0|2,0,1]=4 35 B10R1.15 CC(NN)c1ccccc1 T33268 [0,0,0,0,1,0|1,0,0]=2 36 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,1,0|1,0,1]=3 37 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,1,0|2,0,1]=4 38 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [0,0,0,0,1,0|3,0,0]=4 39 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,1,0|3,0,0]=4 40 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,0,0,0,1,0|2,0,1]=4 41 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,0,0,1,0|2,0,1]=4 42 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,1,0|3,0,0]=4 43 B12R1.27 COC(=O)CCc1ccccc1 T9513 [0,0,0,0,0,1|2,0,1]=4 44 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|1,0,0]=3 45 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|0,0,0]=2 46 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|0,0,0]=2 47 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.8 NCCc1ccccn1 T22501 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|1,0,1]=4 50 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|2,0,0]=4 52 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,1,0,0,0,0|2,0,0]=4 53 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,0]=3 54 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|2,0,0]=4 55 B11R1.16 CCCC(=O)c1ccccc1 T20324 [1,1,0,0,0,0|1,0,1]=4 56 B11R1.24 CNCCc1cccc(O)c1 T34003 [1,1,0,0,0,0|0,0,0]=2 57 B11R1.28 OCCCCc1ccccc1 T20370 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.28 OCCOCc1ccccc1 T14013 [1,1,0,0,0,0|2,0,0]=4 59 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,1,0,0,0,0|0,0,2]=4 60 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|2,0,0]=4 63 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|2,0,0]=4 64 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [1,1,0,0,0,0|1,0,1]=4 66 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.157 CC(N)Cc1cccc(O)c1 T50039 [1,1,0,0,0,0|0,0,0]=2 68 B11R1.157 OC1=CC=CC(CC(N)C)=C1 T31922 [1,1,0,0,0,0|0,0,0]=2 69 B11R1.509 CC(C)(N)Cc1ccccc1 T21436 [1,1,0,0,0,0|0,0,0]=2 70 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,1,0|1,0,0]=3 71 B13R1.417 CCN(CC)CCc1ccccc1 T33556 [0,1,0,0,0,1|2,0,0]=4 72 B13R1.44 CC(Cc1ccccc1)NCC#C T25311 [0,2,0,0,0,0|0,0,0]=2 73 B13R1.22 CNC(C)C(O)c1cccc(O)c1 T29408 [0,2,0,0,0,0|0,0,0]=2 74 B13R1.275 CC[N+](C)(C)Cc1ccccc1Br T7386 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.91 CNC(C)Cc1ccccc1OC T5035 [0,2,0,0,0,0|0,0,0]=2 76 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|2,0,0]=4 77 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|2,0,0]=4 78 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|2,0,0]=4 79 B11R2.20 C1SSCc2ccccc12 T12696 [1,0,0,1,0,0|2,0,0]=4 80 B11R2.10 O=C1Cc2ccccc2N1 Fr16741 [1,0,0,1,0,0|1,0,1]=4 81 B13R2.2383 C(Oc1cccnc1)[C@@H]2CCN2 T26489 [0,0,0,1,0,1|1,0,0]=3 82 B13R2.64 C(C1=NCCN1)c2ccccc2 T1680 [0,1,0,1,0,0|0,0,1]=3 83 B13R2.64 C(C1=NCCN1)c2ccccc2 T21447 [0,1,0,1,0,0|0,0,1]=3 84 B13R2.103 CC1(CN)Cc2ccccc2C1 T50063 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.12 CNCCc1c[nH]cn1 T23038 [1,0,0,0,1,0|2,0,0]=4 86 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,1,0|1,0,1]=4 87 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,1,0|1,0,0]=3 88 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,1,0|1,0,1]=4 89 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,1,0|1,0,1]=4 90 B9R1.13 C[C@@H](N)Cc1c[nH]cn1 T24698 [1,0,0,0,1,0|2,0,0]=4 91 B9R1.13 C[C@@H](N)Cc1cnc[nH]1 T12630 [1,0,0,0,1,0|2,0,0]=4