0 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,0,0,0,0,0|1,0,2]=3 1 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,0,0,0,0,0|3,0,0]=3 2 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,0,0,0,0,0|2,0,1]=3 3 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,0,0,0,0,0|3,0,1]=4 4 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,0,0,0,0,0|3,0,0]=3 5 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,0,0,0,0,0|3,0,0]=3 6 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,0,0,0,0,0|3,0,1]=4 7 B10R1.15 CC(NN)c1ccccc1 T33268 [1,0,0,0,0,0|1,0,0]=2 8 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [1,0,0,0,0,0|2,0,1]=4 9 B10R1.15 CNC(=O)c1ccccc1 T12150 [1,0,0,0,0,0|1,0,1]=3 10 B10R1.15 CNC(=O)c1cccnc1 T5233 [1,0,0,0,0,0|2,0,1]=4 11 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [1,0,0,0,0,0|1,0,2]=4 12 B10R1.15 NCC(O)c1ccccc1 T4873 [1,0,0,0,0,0|1,0,0]=2 13 B10R1.15 NNC(=S)c1ccccc1 T10513 [1,0,0,0,0,0|2,0,1]=4 14 B10R1.15 OC(C=C)c1ccccc1 T50007 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.15 OCC(O)c1ccccc1 T1346 [1,0,0,0,0,0|2,0,0]=3 16 B10R1.17 CCOCc1ccccc1 T36790 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.17 CNCCc1ccccn1 T0246 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.17 CNCCc1ccccn1 T0246L [1,0,0,0,0,0|1,0,0]=2 19 B10R1.17 CNCCc1ccccn1 T4195 [1,0,0,0,0,0|1,0,0]=2 20 B10R1.17 NNCCc1ccccc1 T12441 [1,0,0,0,0,0|1,0,0]=2 21 B10R1.17 NNCCc1ccccc1 T50010 [1,0,0,0,0,0|1,0,0]=2 22 B10R1.17 O=CCCc1ccccc1 T20312 [1,0,0,0,0,0|2,0,0]=3 23 B10R1.17 OCCCc1ccccc1 T3754 [1,0,0,0,0,0|2,0,0]=3 24 B10R1.17 OCCOc1ccccc1 T20293 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.17 S=C=NCc1ccccc1 T1082 [1,0,0,0,0,0|3,0,0]=4 26 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [0,1,0,0,0,0|1,0,0]=2 27 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,1,0,0,0,0|1,0,0]=2 29 B12R1.17 CNCC(O)c1cccc(O)c1 T0453L [0,1,0,0,0,0|1,0,0]=2 30 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,1,0,0,0,0|1,0,0]=2 31 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T17310 [0,1,0,0,0,0|1,0,0]=2 32 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,1,0,0,0,0|2,0,0]=3 33 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,1,0,0,0,0|2,0,0]=3 36 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,0,0,1,0,0|2,0,0]=3 37 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,0,0,0,0,1|2,0,1]=4 38 B12R1.32 CN(CC#C)Cc1ccccc1 T0300 [0,0,0,0,0,1|2,0,1]=4 39 B12R1.32 CN(CC#C)Cc1ccccc1 T1578 [0,0,0,0,0,1|2,0,1]=4 40 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,0,0,0,0,1|2,0,1]=4 41 B9R1.6 CC(=O)c1ccccc1 T7446 [2,0,0,0,0,0|1,0,1]=4 42 B9R1.6 C[C@H](O)c1ccccc1 T4784 [2,0,0,0,0,0|1,0,0]=3 43 B9R1.6 NC(=N)c1ccccc1 T8362 [2,0,0,0,0,0|1,0,1]=4 44 B9R1.6 NC(=O)c1ccccc1 T6780 [2,0,0,0,0,0|1,0,1]=4 45 B9R1.8 CCOc1ccccc1 T19753 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 CNCc1ccccc1 T8016 [2,0,0,0,0,0|0,0,0]=2 47 B9R1.8 NCCc1ccccc1 T2935 [2,0,0,0,0,0|0,0,0]=2 48 B9R1.8 NCCc1ccccc1 T7433 [2,0,0,0,0,0|0,0,0]=2 49 B9R1.8 NCCc1ccccn1 T22501 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.8 O=CCc1ccccc1 TCS1857 [2,0,0,0,0,0|1,0,1]=4 51 B9R1.8 OCCc1ccccc1 T0011 [2,0,0,0,0,0|1,0,0]=3 52 B9R1.8 OCCc1ccccn1 T0658 [2,0,0,0,0,0|2,0,0]=4 53 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [1,1,0,0,0,0|0,0,2]=4 54 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [1,1,0,0,0,0|0,0,0]=2 55 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [1,1,0,0,0,0|1,0,0]=3 56 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [1,1,0,0,0,0|1,0,1]=4 57 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [1,1,0,0,0,0|1,0,0]=3 58 B11R1.222 CCC(=O)c1ccccc1O T20371 [1,1,0,0,0,0|1,0,1]=4 59 B11R1.1 CCOCc1ccc(O)cc1 TN3029 [1,1,0,0,0,0|2,0,0]=4 60 B11R1.1 COCCc1ccc(O)cc1 T0635 [1,1,0,0,0,0|1,0,0]=3 61 B11R1.1 OCCCc1ccc(O)cc1 T3738 [1,1,0,0,0,0|2,0,0]=4 62 B11R1.24 CNCCc1cccc(O)c1 T34003 [1,1,0,0,0,0|0,0,0]=2 63 B11R1.28 OCCCCc1ccccc1 T20370 [1,1,0,0,0,0|1,0,0]=3 64 B11R1.28 OCCOCc1ccccc1 T14013 [1,1,0,0,0,0|2,0,0]=4 65 B11R1.28 S=C=NCCc1ccccc1 T19687 [1,1,0,0,0,0|0,0,2]=4 66 B11R1.40 CC(Cc1ccccc1)NN T24631 [1,1,0,0,0,0|1,0,0]=3 67 B11R1.91 CC(=O)CCc1ccccc1 TCS1709 [1,1,0,0,0,0|1,0,0]=3 68 B11R1.91 CC(=O)COc1ccccc1 T25944 [1,1,0,0,0,0|2,0,0]=4 69 B11R1.91 CC(=O)NCc1ccccc1 T5924 [1,1,0,0,0,0|2,0,0]=4 70 B11R1.91 CC(=O)OCc1ccccc1 T5615 [1,1,0,0,0,0|2,0,0]=4 71 B11R1.91 OC(=O)CCc1ccccc1 T3731 [1,1,0,0,0,0|2,0,0]=4 72 B13R1.44 CC(Cc1ccccc1)NCC#C T25311 [0,1,0,0,0,1|1,0,1]=4 73 B13R1.713 NCC(CC(O)=O)c1ccccc1 T2990 [0,2,0,0,0,0|2,0,0]=4 74 B13R1.713 [C@H](CN)(CC(O)=O)c1ccccc1 T8639 [0,2,0,0,0,0|2,0,0]=4 75 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T0948 [0,2,0,0,0,0|1,0,1]=4 76 B13R1.466 CNCC(=O)c1ccc(O)c(O)c1 T23571 [0,2,0,0,0,0|1,0,1]=4 77 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T1071L [0,2,0,0,0,0|1,0,0]=3 78 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T31383 [0,2,0,0,0,0|1,0,0]=3 79 B13R1.466 CNCC(O)c1ccc(O)c(O)c1 T32536 [0,2,0,0,0,0|1,0,0]=3 80 B13R1.466 CNC[C@H](O)c1ccc(O)c(O)c1 T1047 [0,2,0,0,0,0|1,0,0]=3 81 B13R1.1511 CCCC(C)c1ccc(C)cc1O T29414 [0,2,0,0,0,0|1,0,0]=3 82 B13R1.18 CCNCC(O)c1cccc(O)c1 T3264 [0,2,0,0,0,0|1,0,0]=3 83 B13R1.22 CNC(C)C(O)c1cccc(O)c1 T29408 [0,2,0,0,0,0|1,0,0]=3 84 B11R2.1 Cc1c[nH]c2ccccc12 T5281 [1,0,0,1,0,0|0,0,2]=4 85 B11R2.1 O=C1CCc2ccccc12 T0564 [1,0,0,1,0,0|1,0,1]=4 86 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [1,0,0,1,0,0|0,0,0]=2 87 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [1,0,0,1,0,0|0,0,0]=2 88 B11R2.20 C1SSCc2ccccc12 T12696 [1,0,0,1,0,0|2,0,0]=4 89 B13R2.3 C1CCC(NC1)c2cccnc2 T6060 [0,1,0,1,0,0|2,0,0]=4 90 B13R2.3 C1CCC(NC1)c2cccnc2 T6060L [0,1,0,1,0,0|2,0,0]=4 91 B13R2.3 C1CC[C@H](NC1)c2cccnc2 T7224 [0,1,0,1,0,0|2,0,0]=4 92 B13R2.3 C1CN(CCN1)c2ccccn2 T5105 [0,1,0,1,0,0|2,0,0]=4 93 B13R2.3 [C@H]1(C2=CC=CN=C2)NCCCC1 T22571 [0,1,0,1,0,0|2,0,0]=4 94 B13R2.13 Oc1cccc(c1)N2CCCC2 T33130 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.12 CNCCc1c[nH]cn1 T23038 [1,0,0,0,1,0|2,0,0]=4