0 B12R1.21 c1cc(ccc1C=CC(=O)O)Br AS03178 [0,0,0,0,0,0|2,0,2]=4 1 B12R1.21 c1cc(ccc1C=CC(=O)O)Cl AS02692 [0,0,0,0,0,0|2,0,2]=4 2 B12R1.21 c1cc(ccc1C=CC(=O)O)F AS01284 [0,0,0,0,0,0|2,0,2]=4 3 B12R1.21 c1cc(ccc1C=CC(=O)O)I AS02228 [0,0,0,0,0,0|2,0,2]=4 4 B12R1.21 c1cc(ccc1C=CC(=O)O)O AS03322 [0,0,0,0,0,0|2,0,2]=4 5 B12R1.21 c1cc(ccc1CCC(=O)O)F AS04666 [0,0,0,0,0,0|2,0,0]=2 6 B12R1.21 c1cc(ccc1CCC(=O)O)O AS02950 [0,0,0,0,0,0|2,0,0]=2 7 B11R1.1 CCCCc1ccc(cc1)Cl AS02834 [1,0,0,0,0,0|1,0,1]=3 8 B11R1.1 CCCCc1ccc(cc1)I AS02288 [1,0,0,0,0,0|1,0,1]=3 9 B11R1.1 CCCCc1ccc(cc1)I AS02333 [1,0,0,0,0,0|1,0,1]=3 10 B11R1.1 COCCc1ccc(cc1)O AS00207 [1,0,0,0,0,0|2,0,0]=3 11 B11R1.1 c1cc(ccc1CN=C=O)F AS06152 [1,0,0,0,0,0|2,0,1]=4 12 B11R1.91 CC(=O)COc1ccccc1 AS05273 [1,0,0,0,0,0|1,0,0]=2 13 B11R1.91 CC(=O)OCc1ccccc1 AS01460 [1,0,0,0,0,0|1,0,0]=2 14 B11R1.91 c1ccc(cc1)C=CC(=O)O AS07055 [1,0,0,0,0,0|1,0,2]=4 15 B13R1.3 CCc1ccc(cc1)C=CC(=O)O AS01251 [0,1,0,0,0,0|1,0,2]=4 16 B13R1.3 COc1ccc(cc1)C=CC(=O)O AS01561 [0,1,0,0,0,0|1,0,2]=4 17 B13R1.3 COc1ccc(cc1)CCC(=O)O AS04665 [0,1,0,0,0,0|1,0,0]=2 18 B13R1.3 c1cc(ccc1CCC(=O)O)C=O AS06508 [0,1,0,0,0,0|1,0,1]=3 19 B13R1.14 COC(=O)C=Cc1ccc(cc1)Cl AS06038 [0,1,0,0,0,0|1,0,2]=4 20 B13R1.14 COC(=O)CCc1ccc(cc1)O AS06130 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.132 Cc1ccc(cc1)[C@@H](CC(=O)O)N AS06755 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.132 Cc1ccc(cc1)[C@H](CC(=O)O)N AS06754 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Br AS06709 [0,1,0,0,0,0|2,0,0]=3 24 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)Cl AS06721 [0,1,0,0,0,0|2,0,0]=3 25 B13R1.132 c1cc(ccc1[C@@H](CC(=O)O)N)F AS06744 [0,1,0,0,0,0|2,0,0]=3 26 B13R1.132 c1cc(ccc1[C@H](CC(=O)O)N)Cl AS06720 [0,1,0,0,0,0|2,0,0]=3 27 B13R1.133 C[C@H](C(=O)O)Oc1ccc(cc1)O AS04609 [0,1,0,0,0,0|3,0,0]=4 28 B13R1.133 c1cc(ccc1CC(C(=O)O)N)N AS07029 [0,1,0,0,0,0|2,0,0]=3 29 B13R1.133 c1cc(ccc1C[C@H](C(=O)O)N)Br AS06706 [0,1,0,0,0,0|2,0,0]=3 30 B13R2.155 c1cc2c(cc1Br)NC(=O)CO2 AS06318 [0,0,0,1,0,0|3,0,0]=4 31 B13R2.155 c1cc2c(cc1Cl)NC(=O)CO2 AS06308 [0,0,0,1,0,0|3,0,0]=4 32 B13R2.155 c1cc2c(cc1O)NC(=O)CO2 AS06389 [0,0,0,1,0,0|3,0,0]=4 33 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [0,0,0,0,1,0|1,0,0]=2 34 B11R1.20 CC(=O)Nc1ccc(cc1)Br AS00912 [0,0,0,0,1,0|2,0,0]=3 35 B11R1.20 CC(=O)Nc1ccc(cc1)Cl AS02675 [0,0,0,0,1,0|2,0,0]=3 36 B11R1.20 CC(=O)Nc1ccc(cc1)F AS00825 [0,0,0,0,1,0|2,0,0]=3 37 B11R1.20 CC(=O)Nc1ccc(cc1)I AS02201 [0,0,0,0,1,0|2,0,0]=3 38 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AS07036 [0,0,0,0,1,0|2,0,0]=3 39 B11R1.20 CC(=O)Oc1ccc(cc1)F AS02347 [0,0,0,0,1,0|2,0,0]=3 40 B11R1.20 CC(C)Cc1ccc(cc1)Br AS05659 [0,0,0,0,1,0|2,0,1]=4 41 B11R1.20 Cc1ccc(cc1)NC(=O)C AS00879 [0,0,0,0,1,0|1,0,0]=2 42 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [0,0,0,0,1,0|2,0,0]=3 43 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [0,0,0,0,1,0|2,0,0]=3 44 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [0,0,0,0,1,0|2,0,0]=3 45 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [0,0,0,0,1,0|2,0,0]=3 46 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] AS06245 [0,0,0,0,1,0|3,0,0]=4 47 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br AS06247 [0,0,0,0,1,0|3,0,0]=4 48 B10R1.1 CCOc1ccc(cc1)Br AS03448 [2,0,0,0,0,0|2,0,0]=4 49 B10R1.1 CCOc1ccc(cc1)F AS02638 [2,0,0,0,0,0|2,0,0]=4 50 B10R1.1 CCOc1ccc(cc1)I AS02282 [2,0,0,0,0,0|2,0,0]=4 51 B10R1.1 Cc1ccc(cc1)CC#N AS01373 [2,0,0,0,0,0|1,0,1]=4 52 B10R1.1 Cc1ccc(cc1)CC#N AS06119 [2,0,0,0,0,0|1,0,1]=4 53 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [2,0,0,0,0,0|1,0,0]=3 54 B10R1.1 Cc1ccc(cc1)CCN AS00487 [2,0,0,0,0,0|1,0,0]=3 55 B10R1.1 Cc1ccc(cc1)CCO AS00590 [2,0,0,0,0,0|0,0,1]=3 56 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [2,0,0,0,0,0|2,0,0]=4 57 B10R1.1 c1cc(ccc1CCBr)F AS00126 [2,0,0,0,0,0|2,0,0]=4 58 B10R1.1 c1cc(ccc1CCBr)F AS01797 [2,0,0,0,0,0|2,0,0]=4 59 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [2,0,0,0,0,0|2,0,0]=4 60 B10R1.1 c1cc(ccc1CCN)Br AS06806 [2,0,0,0,0,0|2,0,0]=4 61 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [2,0,0,0,0,0|2,0,0]=4 62 B10R1.1 c1cc(ccc1CCN)F AS00493 [2,0,0,0,0,0|2,0,0]=4 63 B10R1.1 c1cc(ccc1CCO)Br AS00568 [2,0,0,0,0,0|1,0,1]=4 64 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [2,0,0,0,0,0|1,0,1]=4 65 B10R1.1 c1cc(ccc1CCO)F AS00589 [2,0,0,0,0,0|1,0,1]=4 66 B10R1.1 c1cc(ccc1CCO)N AS00567 [2,0,0,0,0,0|1,0,1]=4 67 B10R1.1 c1cc(ccc1CCO)O AS00553 [2,0,0,0,0,0|1,0,1]=4 68 B10R1.17 CCCOc1ccccc1 AS01111 [2,0,0,0,0,0|1,0,1]=4 69 B10R1.17 c1ccc(cc1)C#CC=O AS06906 [2,0,0,0,0,0|0,0,2]=4 70 B10R1.17 c1ccc(cc1)CCCBr AS03468 [2,0,0,0,0,0|1,0,1]=4 71 B12R1.1 CCCCCc1ccc(cc1)Br AS00629 [1,1,0,0,0,0|1,0,1]=4 72 B12R1.69 CCCCc1ccc(cc1O)O AS07002 [1,1,0,0,0,0|1,0,1]=4 73 B12R1.71 CCCOc1ccc(cc1)CO AS04000 [1,1,0,0,0,0|1,0,1]=4 74 B12R1.27 COC(=O)CCc1ccccc1 AS06125 [1,1,0,0,0,0|0,0,0]=2 75 B12R1.107 c1ccc(cc1)[C@@H](CC(=O)O)N AS06772 [1,1,0,0,0,0|1,0,0]=3 76 B12R1.125 Cc1ccccc1CCC(=O)O AS00516 [1,1,0,0,0,0|1,0,0]=3 77 B12R1.125 c1ccc(c(c1)CCC(=O)O)Br AS06127 [1,1,0,0,0,0|1,0,0]=3 78 B12R1.125 c1ccc(c(c1)CCC(=O)O)F AS02202 [1,1,0,0,0,0|1,0,0]=3 79 B12R1.125 c1ccc(c(c1)CCC(=O)O)I AS07158 [1,1,0,0,0,0|1,0,0]=3 80 B12R1.125 c1ccc(c(c1)NCC(=O)O)F AS06740 [1,1,0,0,0,0|2,0,0]=4 81 B12R1.4 CC(=O)Nc1ccc(cc1)OC AS00987 [0,1,0,0,1,0|1,0,0]=3 82 B12R1.4 CC(=O)Oc1ccc(cc1)C=O AS03005 [0,1,0,0,1,0|1,0,1]=4 83 B12R1.4 CCc1ccc(cc1)CC(=O)C AS05185 [0,1,0,0,1,0|0,0,0]=2 84 B12R1.4 c1cc(ccc1CC(=O)O)C#N AS06094 [0,1,0,0,1,0|1,0,1]=4 85 B12R1.4 c1cc(ccc1CC(=O)O)CBr AS00533 [0,1,0,0,1,0|1,0,0]=3 86 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Br AS03114 [0,1,0,0,1,0|2,0,0]=4 87 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)Cl AS02964 [0,1,0,0,1,0|2,0,0]=4 88 B12R1.19 CC(=O)Nc1ccc(c(c1)Cl)F AS02717 [0,1,0,0,1,0|2,0,0]=4 89 B12R1.19 CC(=O)Nc1ccc(c(c1)F)Br AS03260 [0,1,0,0,1,0|2,0,0]=4 90 B12R1.19 CC(=O)Nc1ccc(c(c1)F)F AS00793 [0,1,0,0,1,0|2,0,0]=4 91 B12R1.19 CC(=O)Oc1ccc(c(c1)Br)Cl AS02342 [0,1,0,0,1,0|2,0,0]=4 92 B12R1.19 Cc1cc(ccc1Br)CC(=O)O AS00510 [0,1,0,0,1,0|2,0,0]=4 93 B12R1.19 Cc1cc(ccc1Br)NC(=O)C AS03410 [0,1,0,0,1,0|2,0,0]=4 94 B12R1.19 Cc1cc(ccc1Cl)NC(=O)C AS02802 [0,1,0,0,1,0|2,0,0]=4 95 B12R1.19 Cc1ccc(cc1C)CC(=O)O AS06102 [0,1,0,0,1,0|1,0,0]=3 96 B12R1.19 Cc1ccc(cc1F)NC(=O)C AS06994 [0,1,0,0,1,0|1,0,0]=3 97 B12R1.19 c1cc(c(cc1CC(=O)O)Br)F AS00525 [0,1,0,0,1,0|2,0,0]=4 98 B12R1.19 c1cc(c(cc1CC(=O)O)Br)O AS06081 [0,1,0,0,1,0|2,0,0]=4 99 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)Cl AS00498 [0,1,0,0,1,0|2,0,0]=4 100 B12R1.19 c1cc(c(cc1CC(=O)O)Cl)F AS00500 [0,1,0,0,1,0|2,0,0]=4 101 B12R1.19 c1cc(c(cc1CC(=O)O)F)Cl AS00535 [0,1,0,0,1,0|2,0,0]=4 102 B12R1.19 c1cc(c(cc1CC(=O)O)F)F AS01966 [0,1,0,0,1,0|2,0,0]=4 103 B12R1.19 c1cc(c(cc1CC(=O)O)F)O AS02173 [0,1,0,0,1,0|2,0,0]=4 104 B12R1.20 Cc1ccc(cc1)C(C(=O)O)N AS06783 [0,1,0,0,1,0|1,0,0]=3 105 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)Cl AS06688 [0,1,0,0,1,0|2,0,0]=4 106 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)F AS06728 [0,1,0,0,1,0|2,0,0]=4 107 B12R1.20 c1cc(ccc1[C@@H](C(=O)O)N)O AS06748 [0,1,0,0,1,0|2,0,0]=4 108 B12R1.106 Cc1ccc(cc1)CS(=O)(=O)Cl AS07181 [0,1,0,0,1,0|2,0,0]=4 109 B12R1.233 CC(=O)Nc1ccc(cc1Br)Br AS03495 [0,1,0,0,1,0|2,0,0]=4 110 B12R1.233 CC(=O)Nc1ccc(cc1Br)Cl AS03112 [0,1,0,0,1,0|2,0,0]=4 111 B12R1.233 CC(=O)Nc1ccc(cc1Br)F AS03257 [0,1,0,0,1,0|2,0,0]=4 112 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Br AS03113 [0,1,0,0,1,0|2,0,0]=4 113 B12R1.233 CC(=O)Nc1ccc(cc1Cl)Cl AS02848 [0,1,0,0,1,0|2,0,0]=4 114 B12R1.233 CC(=O)Nc1ccc(cc1Cl)F AS02716 [0,1,0,0,1,0|2,0,0]=4 115 B12R1.233 CC(=O)Nc1ccc(cc1F)Br AS03259 [0,1,0,0,1,0|2,0,0]=4 116 B12R1.233 CC(=O)Nc1ccc(cc1F)Cl AS02718 [0,1,0,0,1,0|2,0,0]=4 117 B12R1.233 CC(=O)Nc1ccc(cc1F)F AS00792 [0,1,0,0,1,0|2,0,0]=4 118 B12R1.233 Cc1cc(ccc1CC(=O)O)F AS00504 [0,1,0,0,1,0|2,0,0]=4 119 B12R1.233 Cc1cc(ccc1NC(=O)C)Br AS03409 [0,1,0,0,1,0|2,0,0]=4 120 B12R1.233 Cc1ccc(c(c1)Br)NC(=O)C AS03408 [0,1,0,0,1,0|1,0,0]=3 121 B12R1.233 Cc1ccc(c(c1)Cl)NC(=O)C AS02800 [0,1,0,0,1,0|1,0,0]=3 122 B12R1.233 Cc1ccc(c(c1)F)CC(=O)O AS01083 [0,1,0,0,1,0|1,0,0]=3 123 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O AS06078 [0,1,0,0,1,0|2,0,0]=4 124 B12R1.233 c1cc(c(cc1Cl)Br)CC(=O)O AS00523 [0,1,0,0,1,0|2,0,0]=4 125 B12R1.233 c1cc(c(cc1Cl)F)CC(=O)O AS00536 [0,1,0,0,1,0|2,0,0]=4 126 B12R1.233 c1cc(c(cc1F)Cl)CC(=O)O AS00526 [0,1,0,0,1,0|2,0,0]=4 127 B12R1.233 c1cc(c(cc1F)F)CC(=O)O AS01963 [0,1,0,0,1,0|2,0,0]=4 128 B12R1.233 c1cc(c(cc1N)F)CC(=O)O AS06072 [0,1,0,0,1,0|2,0,0]=4 129 B12R1.233 c1cc(c(cc1O)F)CC(=O)O AS00528 [0,1,0,0,1,0|2,0,0]=4 130 B14R1.4 COc1ccc(cc1)CCCC(=O)N AS07224 [0,1,0,0,0,1|1,0,0]=3 131 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)Cl AS02686 [0,1,0,0,0,1|2,0,0]=4 132 B14R1.678 c1cc(ccc1C(=O)CCC(=O)O)F AS01281 [0,1,0,0,0,1|2,0,0]=4 133 B14R1.2 COc1ccc(cc1)C(CC(=O)O)N AS06756 [0,2,0,0,0,0|1,0,0]=3 134 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)Cl AS06135 [0,2,0,0,0,0|1,0,1]=4 135 B14R1.10 COC(=O)CC(=O)c1ccc(cc1)F AS06137 [0,2,0,0,0,0|1,0,1]=4 136 B14R1.502 CCOC(=O)CCc1ccc(cc1)N AS06522 [0,2,0,0,0,0|1,0,0]=3 137 B12R2.132 c1cc2c(cc1Br)C(=O)CO2 AS06367 [1,0,0,1,0,0|2,0,0]=4 138 B12R2.132 c1cc2c(cc1Cl)C(=O)CO2 AS06459 [1,0,0,1,0,0|2,0,0]=4 139 B12R2.132 c1cc2c(cc1F)C(=O)CO2 AS06458 [1,0,0,1,0,0|2,0,0]=4 140 B12R2.606 c1cc2c(cc1F)NC(=O)C2 AS06884 [0,0,0,1,1,0|2,0,0]=4 141 B14R2.380 c1cc2c(cc1N)NC(=O)CCC2 AS06599 [0,0,0,1,0,1|2,0,0]=4 142 B10R1.18 CC(Cc1ccccc1)O AS07220 [1,0,0,0,1,0|0,0,2]=4 143 B10R1.18 c1ccc(cc1)OC(=O)Cl AS01233 [1,0,0,0,1,0|2,0,0]=4 144 B10R1.13 CC(=C)c1ccc(cc1)O AS06541 [0,0,0,0,2,0|2,0,0]=4 145 B10R1.13 CC(=O)c1ccc(cc1)Br AS01178 [0,0,0,0,2,0|1,0,0]=3 146 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [0,0,0,0,2,0|1,0,0]=3 147 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [0,0,0,0,2,0|1,0,0]=3 148 B10R1.13 CC(=O)c1ccc(cc1)I AS04012 [0,0,0,0,2,0|1,0,0]=3 149 B10R1.13 CC(=O)c1ccc(cc1)N AS01150 [0,0,0,0,2,0|1,0,0]=3 150 B10R1.13 CC(=O)c1ccc(cc1)O AS01158 [0,0,0,0,2,0|1,0,0]=3 151 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,0,0,0,2,0|2,0,0]=4 152 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,0,0,0,2,0|2,0,0]=4 153 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [0,0,0,0,2,0|0,0,0]=2 154 B10R1.13 Cc1ccc(cc1)C(=O)Cl AS00020 [0,0,0,0,2,0|1,0,0]=3 155 B10R1.13 Cc1ccc(cc1)C(=O)N AS05901 [0,0,0,0,2,0|1,0,0]=3 156 B10R1.13 Cc1ccc(cc1)C(=O)O AS00864 [0,0,0,0,2,0|1,0,0]=3 157 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] AS01013 [0,0,0,0,2,0|2,0,0]=4 158 B10R1.13 c1cc(ccc1C(=O)Cl)I AS00009 [0,0,0,0,2,0|2,0,0]=4 159 B10R1.13 c1cc(ccc1C(=O)N)Br AS00920 [0,0,0,0,2,0|2,0,0]=4 160 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [0,0,0,0,2,0|2,0,0]=4 161 B10R1.13 c1cc(ccc1C(=O)N)F AS00831 [0,0,0,0,2,0|2,0,0]=4 162 B10R1.13 c1cc(ccc1C(=O)O)Br AS00815 [0,0,0,0,2,0|2,0,0]=4 163 B10R1.13 c1cc(ccc1C(=O)O)Cl AS00806 [0,0,0,0,2,0|2,0,0]=4 164 B10R1.13 c1cc(ccc1C(=O)O)F AS00747 [0,0,0,0,2,0|2,0,0]=4 165 B10R1.13 c1cc(ccc1C(=O)O)I AS02218 [0,0,0,0,2,0|2,0,0]=4 166 B10R1.13 c1cc(ccc1C(=O)O)N AS00762 [0,0,0,0,2,0|2,0,0]=4 167 B10R1.13 c1cc(ccc1C(=O)[O-])F AS00778 [0,0,0,0,2,0|2,0,0]=4 168 B12R1.252 CC(=O)OCCc1ccccc1 AS02439 [1,0,0,0,0,1|0,0,0]=2 169 B12R1.252 c1ccc(cc1)COCC(=O)O AS06202 [1,0,0,0,0,1|1,0,0]=3