0 B10R1.15 C=CC(=O)c1ccccc1 T20607 [0,0,0,0,0,0|0,0,4]=4 1 B10R1.15 CC(NN)c1ccccc1 T33268 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.15 CCC(C1=CC=NC=C1)=O T20581 [0,0,0,0,0,0|1,0,2]=3 3 B10R1.15 CNC(=O)c1ccccc1 T12150 [0,0,0,0,0,0|1,0,2]=3 4 B10R1.15 CNC(=O)c1cccnc1 T5233 [0,0,0,0,0,0|2,0,2]=4 5 B10R1.15 COC(=O)c1cccnc1 T5562 [0,0,0,0,0,0|2,0,2]=4 6 B10R1.15 COC(c1ncccc1)=O T22220 [0,0,0,0,0,0|2,0,2]=4 7 B10R1.15 N#C[C@@H](c1ccccc1)O T9158 [0,0,0,0,0,0|1,0,1]=2 8 B10R1.15 NCC(O)c1ccccc1 T4873 [0,0,0,0,0,0|1,0,0]=1 9 B10R1.15 NNC(=S)c1ccccc1 T10513 [0,0,0,0,0,0|2,1,1]=4 10 B10R1.15 O=CC(=O)c1ccccc1 T38465 [0,0,0,0,0,0|1,0,3]=4 11 B10R1.15 OC(C=C)c1ccccc1 T50007 [0,0,0,0,0,0|0,0,2]=2 12 B10R1.15 OCC(O)c1ccccc1 T1346 [0,0,0,0,0,0|1,0,0]=1 13 B9R1.6 CC(=O)c1ccccc1 T7446 [1,0,0,0,0,0|0,0,2]=3 14 B9R1.6 C[C@H](O)c1ccccc1 T4784 [1,0,0,0,0,0|0,0,0]=1 15 B9R1.6 NC(=N)c1ccccc1 T8362 [1,0,0,0,0,0|2,0,1]=4 16 B9R1.6 NC(=O)c1ccccc1 T6780 [1,0,0,0,0,0|1,0,2]=4 17 B9R1.6 O=C(C1=NC=CC=C1)O T0879L [1,0,0,0,0,0|2,0,1]=4 18 B9R1.6 OB(O)c1ccccc1 T30355 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.6 OC(=O)c1ccccc1 T0833 [1,0,0,0,0,0|1,0,1]=3 20 B9R1.6 OC(=O)c1ccccn1 T4850 [1,0,0,0,0,0|2,0,1]=4 21 B9R1.6 OC(=O)c1cccnc1 T0879 [1,0,0,0,0,0|2,0,1]=4 22 B9R1.6 OC(=O)c1ccncc1 Fr13756 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.6 OP(=O)c1ccccc1 T20416 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.6 [O-]C(=O)c1ccccc1 T8124 [1,0,0,0,0,0|1,0,2]=4 25 B9R1.8 CCOc1ccccc1 T19753 [1,0,0,0,0,0|1,0,0]=2 26 B9R1.8 CNCc1ccccc1 T8016 [1,0,0,0,0,0|1,0,0]=2 27 B9R1.8 NCCc1ccccc1 T2935 [1,0,0,0,0,0|1,0,0]=2 28 B9R1.8 NCCc1ccccc1 T7433 [1,0,0,0,0,0|1,0,0]=2 29 B9R1.8 NCCc1ccccn1 T22501 [1,0,0,0,0,0|2,0,0]=3 30 B9R1.8 O/N=C/c1ccccc1 T20350 [1,0,0,0,0,0|2,0,1]=4 31 B9R1.8 O=CCc1ccccc1 TCS1857 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.8 OCCc1ccccc1 T0011 [1,0,0,0,0,0|1,0,0]=2 33 B9R1.8 OCCc1ccccn1 T0658 [1,0,0,0,0,0|2,0,0]=3 34 B11R1.12 NC/C(=C/Cl)c1ccccc1 T33265 [0,1,0,0,0,0|2,0,1]=4 35 B11R1.16 CC(/C=N/O)c1ccccc1 T29369 [0,1,0,0,0,0|2,0,1]=4 36 B11R1.16 CC(N=C=S)c1ccccc1 T27188 [0,1,0,0,0,0|2,0,1]=4 37 B11R1.16 CCCC(=O)c1ccccc1 T20324 [0,1,0,0,0,0|0,0,2]=3 38 B11R1.16 CCOC(=O)c1ccccc1 TN4020 [0,1,0,0,0,0|0,0,2]=3 39 B11R1.16 C[C@@H](C1=CC=CC=C1)N=C=S T27793 [0,1,0,0,0,0|2,0,1]=4 40 B11R1.16 C[C@H](C1=CC=CC=C1)N=C=S T19758 [0,1,0,0,0,0|2,0,1]=4 41 B11R1.16 ClCCC(=O)c1ccccc1 T1342 [0,1,0,0,0,0|0,0,2]=3 42 B11R1.22 CCC(C)c1ccc(O)cc1 T12515 [0,1,0,0,0,0|1,0,0]=2 43 B11R1.22 COC(=O)c1ccc(O)cc1 T3728 [0,1,0,0,0,0|1,0,2]=4 44 B11R1.22 Clc1ccc(cc1)C(=O)CBr T8908 [0,1,0,0,0,0|1,0,2]=4 45 B11R1.22 NCC(O)c1ccc(O)cc1 T0469 [0,1,0,0,0,0|1,0,0]=2 46 B11R1.22 Oc1ccc(cc1)C(=O)CBr T7084 [0,1,0,0,0,0|1,0,2]=4 47 B11R1.23 COC(=O)c1cccc(O)c1 T33331 [0,1,0,0,0,0|1,0,2]=4 48 B11R1.23 OC(C#N)c1cccc(O)c1 T33176 [0,1,0,0,0,0|1,0,1]=3 49 B11R1.36 CC(=O)C(=O)c1ccccc1 T7450 [0,1,0,0,0,0|0,0,3]=4 50 B11R1.36 CC(O)C(=O)c1ccccc1 T29353 [0,1,0,0,0,0|0,0,2]=3 51 B11R1.36 C[C@H](O)[C@H](O)c1ccccc1 TN4002 [0,1,0,0,0,0|0,0,0]=1 52 B11R1.36 NC(C(O)=O)c1ccccc1 T13485 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.36 OC(=O)C(S)c1ccccc1 T26271 [0,1,0,0,0,0|1,1,1]=4 54 B11R1.36 OC(C(O)=O)c1ccccc1 T33320 [0,1,0,0,0,0|1,0,1]=3 55 B11R1.36 OC(C(O)=O)c1ccccc1 T4848 [0,1,0,0,0,0|1,0,1]=3 56 B11R1.36 OC(C([O-])=O)c1ccccc1 T30005 [0,1,0,0,0,0|1,0,1]=3 57 B11R1.36 O[C@@H](C(O)=O)c1ccccc1 T2S0122 [0,1,0,0,0,0|1,0,1]=3 58 B11R1.222 CCC(=O)c1ccccc1O T20371 [0,1,0,0,0,0|0,0,2]=3 59 B11R1.222 COC(=O)c1ccccc1N TN1925 [0,1,0,0,0,0|1,0,2]=4 60 B11R1.222 COC(=O)c1ccccc1O T0399 [0,1,0,0,0,0|1,0,2]=4 61 B11R2.1 O=C1CCc2ccccc12 T0564 [0,0,0,1,0,0|0,0,2]=3 62 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T1025 [0,0,0,1,0,0|2,0,0]=3 63 B11R2.4 N[C@@H]1C[C@H]1c2ccccc2 T7942 [0,0,0,1,0,0|2,0,0]=3 64 B11R1.40 CC(Cc1ccccc1)NN T24631 [0,0,0,0,0,1|3,0,0]=4 65 B8R1.2 NCc1ccccc1 TN3497 [2,0,0,0,0,0|1,0,0]=3 66 B8R1.2 NCc1cccnc1 T1581 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.2 O=Cc1ccccc1 TWO2659 [2,0,0,0,0,0|0,0,2]=4 68 B8R1.2 OCc1ccccc1 T0732 [2,0,0,0,0,0|0,0,0]=2 69 B8R1.2 OCc1ccccn1 T1112 [2,0,0,0,0,0|1,0,0]=3 70 B8R1.2 OCc1cccnc1 T1299 [2,0,0,0,0,0|1,0,0]=3 71 B10R1.13 CC(=O)c1ccc(C)cc1 T19137 [1,1,0,0,0,0|0,0,2]=4 72 B10R1.13 CC(=O)c1ccc(O)cc1 T3750 [1,1,0,0,0,0|0,0,2]=4 73 B10R1.13 Cc1ccc(cc1)C(N)N T35198 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.13 Cc1ccc(cc1)C(O)=O Fr14438 [1,1,0,0,0,0|1,0,1]=4 75 B10R1.13 Nc1ccc(cc1)C(O)=O T1311 [1,1,0,0,0,0|1,0,1]=4 76 B10R1.13 OC(=O)c1ccc(O)cc1 T2989 [1,1,0,0,0,0|1,0,1]=4 77 B10R1.28 OS(=O)(=O)c1ccccc1 T20417 [1,1,0,0,0,0|2,0,0]=4 78 B10R1.61 CC(=O)c1ccccc1C T36788 [1,1,0,0,0,0|0,0,2]=4 79 B10R1.61 CC(=O)c1ccccc1Cl T20449 [1,1,0,0,0,0|0,0,2]=4 80 B10R1.61 CC(=O)c1ccccc1O TCS1856 [1,1,0,0,0,0|0,0,2]=4 81 B10R1.61 Cc1ccccc1C(O)=O T8068 [1,1,0,0,0,0|1,0,1]=4 82 B10R1.61 OC(=O)c1ccccc1I T20881 [1,1,0,0,0,0|1,0,1]=4 83 B10R1.61 OC(=O)c1ccccc1O T0649 [1,1,0,0,0,0|1,0,1]=4 84 B10R1.61 OC(=O)c1ccccc1O T27597 [1,1,0,0,0,0|1,0,1]=4 85 B10R1.113 CC(=C)c1cccc(C)c1 T33400 [1,1,0,0,0,0|1,0,1]=4 86 B10R1.113 CC(=O)c1cccc(O)c1 T20389 [1,1,0,0,0,0|0,0,2]=4 87 B10R1.113 CC(C)c1cccc(C)c1 TN6950 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.113 CC(O)c1cccc(N)c1 T21106 [1,1,0,0,0,0|0,0,0]=2 89 B10R1.113 CN(C)c1cccc(C)c1 T21088 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.113 OC(=O)c1cccc(O)c1 T4840 [1,1,0,0,0,0|1,0,1]=4 91 B10R1.1 NCCC1=CC=C(O)C=C1 T0307 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.1 NCCc1ccc(O)cc1 T7851 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.1 OCCc1ccc(O)cc1 T2861 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.1 Oc1ccc(CC#N)cc1 Fr16745 [1,1,0,0,0,0|1,0,1]=4 95 B10R1.1 c1cc(ccc1CCN)O T3095 [1,1,0,0,0,0|1,0,0]=3 96 B10R1.4 CCOc1ccccc1Br T20308 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.4 CSCc1ccccc1O T33357 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.4 Oc1ccccc1CC=C T20472 [1,1,0,0,0,0|0,0,2]=4 99 B10R1.10 CCOc1cccc(O)c1 T20297 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.10 Cc1cccc(CC#N)c1 T33456 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.10 NCCc1cccc(O)c1 T11937 [1,1,0,0,0,0|1,0,0]=3 102 B10R1.10 NCCc1cccc(O)c1 T11937L [1,1,0,0,0,0|1,0,0]=3 103 B10R1.10 NNCc1cccc(O)c1 T29406 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.17 CCOCc1ccccc1 T36790 [1,1,0,0,0,0|0,0,0]=2 105 B10R1.17 CNCCc1ccccn1 T0246 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.17 CNCCc1ccccn1 T0246L [1,1,0,0,0,0|1,0,0]=3 107 B10R1.17 CNCCc1ccccn1 T4195 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.17 NNCCc1ccccc1 T12441 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.17 NNCCc1ccccc1 T50010 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.17 O=CCCc1ccccc1 T20312 [1,1,0,0,0,0|0,0,1]=3 111 B10R1.17 OC/C=C/c1ccccc1 TN2982 [1,1,0,0,0,0|0,0,2]=4 112 B10R1.17 OCC=Cc1ccccc1 T5S1550 [1,1,0,0,0,0|0,0,2]=4 113 B10R1.17 OCCCc1ccccc1 T3754 [1,1,0,0,0,0|0,0,0]=2 114 B10R1.17 OCCOc1ccccc1 T20293 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.17 S=C=NCc1ccccc1 T1082 [1,1,0,0,0,0|1,0,1]=4 116 B10R1.18 CC(=O)Oc1ccccc1 T0650 [1,1,0,0,0,0|1,0,1]=4 117 B10R1.18 CC(=S)Nc1ccccc1 T20263 [1,1,0,0,0,0|1,0,1]=4 118 B10R1.18 CC(N)Cc1ccccc1 T25082 [1,1,0,0,0,0|0,0,0]=2 119 B10R1.18 C[C@H](N)Cc1ccccc1 T31405L2 [1,1,0,0,0,0|0,0,0]=2 120 B12R1.32 CCCC(=O)Oc1ccccc1 T25946 [0,1,0,0,0,1|0,0,2]=4 121 B12R1.32 CCOC(=O)Cc1ccccc1 T19317 [0,1,0,0,0,1|0,0,2]=4 122 B12R1.32 NC(CC=C)Cc1ccccc1 T25044 [0,1,0,0,0,1|1,0,1]=4 123 B12R1.43 CC(Cc1ccccc1)N(C)N T28024 [0,1,0,0,0,1|2,0,0]=4 124 B12R1.43 OC(Cc1ccccc1)C(O)=O T4455 [0,1,0,0,0,1|1,0,1]=4 125 B12R1.43 O[C@@H](Cc1ccccc1)C(O)=O T5290 [0,1,0,0,0,1|1,0,1]=4 126 B12R1.43 O[C@H](Cc1ccccc1)C(O)=O T5274 [0,1,0,0,0,1|1,0,1]=4 127 B12R1.49 CCC(=O)Nc1ccc(O)cc1 T19140 [0,1,0,0,0,1|0,0,2]=4 128 B12R1.50 CCC(=O)Nc1cccc(O)c1 T34153 [0,1,0,0,0,1|0,0,2]=4 129 B12R1.194 CNC(C)(C)Cc1ccccc1 T33287 [0,1,0,0,0,1|2,0,0]=4 130 B12R1.10 CC[N+](C)(C)c1cccc(O)c1 T5855 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.253 CC(O)(C(N)=O)c1ccccc1 T25117 [0,2,0,0,0,0|1,0,1]=4 132 B12R1.478 CCC(C(O)=O)c1ccccc1 T0631 [0,2,0,0,0,0|0,0,0]=2 133 B12R1.16 C(c1ccc(cc1)O)(CNC)O T6688 [0,2,0,0,0,0|0,0,0]=2 134 B12R1.16 CCCC(=O)c1ccc(F)cc1 T3679 [0,2,0,0,0,0|0,0,2]=4 135 B12R1.16 CCOC(=O)c1ccc(N)cc1 T0924 [0,2,0,0,0,0|0,0,2]=4 136 B12R1.16 CCOC(=O)c1ccc(N)cc1 T6782 [0,2,0,0,0,0|0,0,2]=4 137 B12R1.16 CCOC(=O)c1ccc(O)cc1 T0834 [0,2,0,0,0,0|0,0,2]=4 138 B12R1.16 CNCC(O)c1ccc(O)cc1 T1287 [0,2,0,0,0,0|0,0,0]=2 139 B12R1.16 OCCC(=O)c1ccc(O)cc1 TN5924 [0,2,0,0,0,0|0,0,2]=4 140 B12R1.17 CCOC(=O)c1cccc(O)c1 T20469 [0,2,0,0,0,0|0,0,2]=4 141 B12R1.17 CCOC(c1cc(N)ccc1)=O T21483 [0,2,0,0,0,0|0,0,2]=4 142 B12R1.17 CNCC(O)c1cccc(O)c1 T0453L [0,2,0,0,0,0|0,0,0]=2 143 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T0453 [0,2,0,0,0,0|0,0,0]=2 144 B12R1.17 CNC[C@H](O)c1cccc(O)c1 T17310 [0,2,0,0,0,0|0,0,0]=2 145 B12R1.30 CCCCC(O)c1ccccc1 T0857 [0,2,0,0,0,0|0,0,0]=2 146 B12R1.107 CC(=O)CC(=O)c1ccccc1 T20345 [0,2,0,0,0,0|0,0,2]=4 147 B12R1.107 CC(C)CC(=O)c1ccccc1 T20363 [0,2,0,0,0,0|0,0,2]=4 148 B12R1.107 CC(C)OC(=O)c1ccccc1 T32225 [0,2,0,0,0,0|0,0,2]=4 149 B12R1.107 CC(CC(O)=O)c1ccccc1 T19125 [0,2,0,0,0,0|1,0,1]=4 150 B12R1.308 CCOC(=O)c1ccccc1O TN1625 [0,2,0,0,0,0|0,0,2]=4 151 B12R1.308 NCCC(=O)c1ccccc1N T32431 [0,2,0,0,0,0|0,0,2]=4 152 B12R1.20 OC(C(O)=O)c1ccc(O)cc1 T5263 [0,2,0,0,0,0|1,0,1]=4 153 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T13655 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.367 NCC(O)c1ccc(O)c(O)c1 T21066 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T0871 [0,2,0,0,0,0|1,0,0]=3 156 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T1064 [0,2,0,0,0,0|1,0,0]=3 157 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T20173 [0,2,0,0,0,0|1,0,0]=3 158 B12R1.367 NC[C@H](O)c1ccc(O)c(O)c1 T7044 [0,2,0,0,0,0|1,0,0]=3 159 B12R1.367 OCC(c1ccc(c(c1)O)O)O TQ0281 [0,2,0,0,0,0|1,0,0]=3 160 B12R1.225 CC(N)C(C)c1cccc(Cl)c1 T33976 [0,2,0,0,0,0|1,0,0]=3 161 B12R1.225 CC(N)C(O)c1cccc(O)c1 T0279L2 [0,2,0,0,0,0|0,0,0]=2 162 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279 [0,2,0,0,0,0|0,0,0]=2 163 B12R1.225 C[C@H](N)[C@H](O)c1cccc(O)c1 T0279L [0,2,0,0,0,0|0,0,0]=2 164 B12R1.225 OC(C(Cl)Cl)c1cccc(Cl)c1 T30419 [0,2,0,0,0,0|1,0,0]=3 165 B12R1.225 OC(C(O)=O)c1cccc(O)c1 T7634 [0,2,0,0,0,0|1,0,1]=4 166 B12R1.564 CC(C)(C)C(=O)c1ccccc1 T20369 [0,2,0,0,0,0|0,0,2]=4 167 B12R1.564 C[C@H](c1ccccc1)C(C)(C)N T25935 [0,2,0,0,0,0|1,0,0]=3 168 B10R1.172 CCc1cccc(C=C)c1 T34728 [0,0,1,1,0,0|1,0,1]=4 169 B10R2.7 C1Cc2ccccc2O1 Fr14127 [1,0,0,1,0,0|1,0,0]=3 170 B12R2.18 CC1C(=O)Nc2ccccc12 T0538 [0,0,0,1,0,1|0,0,2]=4 171 B12R2.18 C[C@H]1[C@@H](O)Cc2ccncc12 TN3378 [0,0,0,1,0,1|1,0,0]=3 172 B12R2.24 CC1CCc2ccccc2N1 T20448 [0,0,0,1,0,1|1,0,0]=3 173 B12R2.24 O=C1CCc2ccccc2C1 T0660 [0,0,0,1,0,1|0,0,2]=4 174 B12R2.24 O=C1CCc2ccccc2O1 T2S0300 [0,0,0,1,0,1|0,0,2]=4 175 B12R2.1081 O[C@H]1CCCC2=C1C=CC=C2 T19999 [0,1,0,1,0,0|0,0,0]=2 176 B12R2.612 OB1OCc2cc(Cl)ccc12 T4040 [0,1,0,1,0,0|2,0,0]=4 177 B12R2.612 OB1OCc2cc(F)ccc12 T3349 [0,1,0,1,0,0|2,0,0]=4 178 B12R1.27 CCC(=O)O[Hg]c1ccccc1 T34024 [0,0,0,0,0,2|0,0,2]=4