0 B11R1.41 CCOc1ccccc1C#N AS02393 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.41 CCOc1ccccc1OC AS02564 [0,0,0,0,0,0|2,0,0]=2 2 B11R1.41 COc1ccccc1CC#N AS01652 [0,0,0,0,0,0|0,0,2]=2 3 B11R1.41 c1ccc(c(c1)CC#N)C#N AS01649 [0,0,0,0,0,0|2,0,2]=4 4 B11R1.41 c1ccc(c(c1)CCBr)C=O AS06680 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.4 CCOc1ccccc1Br AS03446 [1,0,0,0,0,0|3,0,0]=4 6 B10R1.4 CCOc1ccccc1C AS07155 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.4 CCOc1ccccc1F AS02636 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.4 CCOc1ccccc1N AS01513 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.4 COCc1ccccc1Br AS03400 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.4 COCc1ccccc1Br AS03402 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.4 Cc1ccccc1CC#N AS01367 [1,0,0,0,0,0|0,0,2]=3 12 B10R1.4 c1ccc(c(c1)CC#N)Br AS01641 [1,0,0,0,0,0|1,0,2]=4 13 B10R1.4 c1ccc(c(c1)CC#N)F AS01388 [1,0,0,0,0,0|1,0,2]=4 14 B10R1.4 c1ccc(c(c1)CC#N)I AS01645 [1,0,0,0,0,0|1,0,2]=4 15 B10R1.4 c1ccc(c(c1)CC#N)N AS06069 [1,0,0,0,0,0|1,0,2]=4 16 B10R1.4 c1ccc(c(c1)CCBr)F AS02432 [1,0,0,0,0,0|2,0,0]=3 17 B10R1.4 c1ccc(c(c1)CCN)F AS00483 [1,0,0,0,0,0|1,0,0]=2 18 B10R1.4 c1ccc(c(c1)CCO)Br AS06007 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.4 c1ccc(c(c1)CCO)Cl AS00582 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.4 c1ccc(c(c1)CCO)F AS00577 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.20 CCc1ccccc1C=O AS04433 [1,0,0,0,0,0|2,0,0]=3 22 B10R1.20 CCc1ccccc1OC AS02573 [1,0,0,0,0,0|0,0,0]=1 23 B10R1.20 COc1ccccc1CCl AS05988 [1,0,0,0,0,0|1,0,0]=2 24 B10R1.20 COc1ccccc1CO AS03989 [1,0,0,0,0,0|1,0,0]=2 25 B10R1.20 COc1ccccc1NN AS02474 [1,0,0,0,0,0|1,0,0]=2 26 B10R1.20 COc1ccccc1NN AS06157 [1,0,0,0,0,0|1,0,0]=2 27 B10R1.20 COc1ccccc1OC AS06960 [1,0,0,0,0,0|1,0,0]=2 28 B10R1.20 COc1ccccc1SC AS04294 [1,0,0,0,0,0|1,0,0]=2 29 B10R1.20 c1ccc(c(c1)CBr)C#N AS00647 [1,0,0,0,0,0|3,0,0]=4 30 B10R1.20 c1ccc(c(c1)CBr)CBr AS00651 [1,0,0,0,0,0|3,0,0]=4 31 B10R1.20 c1ccc(c(c1)CO)C#N AS02592 [1,0,0,0,0,0|3,0,0]=4 32 B10R1.20 c1ccc(c(c1)CO)CO AS05939 [1,0,0,0,0,0|3,0,0]=4 33 B12R1.75 CC(=O)Nc1ccccc1OC AS00985 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.77 COc1ccccc1C(=O)CBr AS05121 [0,1,0,0,0,0|1,0,1]=3 35 B12R1.77 COc1ccccc1C(=O)NN AS01116 [0,1,0,0,0,0|1,0,1]=3 36 B12R1.112 COc1cc(ccc1CC#N)F AS02350 [0,1,0,0,0,0|0,0,2]=3 37 B12R1.121 COc1ccccc1OCCBr AS04182 [0,1,0,0,0,0|1,0,0]=2 38 B12R1.268 COc1ccc(cc1CC#N)F AS02336 [0,1,0,0,0,0|0,0,2]=3 39 B12R1.1112 COc1cccc(c1CC#N)F AS02331 [0,1,0,0,0,0|0,0,2]=3 40 B12R2.18 c1ccc2c(c1)CC(C2O)Br AS03960 [0,0,0,1,0,0|3,0,0]=4 41 B12R2.41 c1ccc2c(c1)CCNCC2 AS06230 [0,0,0,1,0,0|1,0,0]=2 42 B9R1.8 c1ccc(cc1)CC#N AS01366 [2,0,0,0,0,0|0,0,2]=4 43 B9R1.8 c1ccc(cc1)CCCl AS00650 [2,0,0,0,0,0|1,0,0]=3 44 B9R1.8 c1ccc(cc1)CCN AS00484 [2,0,0,0,0,0|0,0,0]=2 45 B9R1.8 c1ccc(cc1)CCO AS00558 [2,0,0,0,0,0|1,0,0]=3 46 B9R1.8 c1ccc(cc1)CON AS04494 [2,0,0,0,0,0|1,0,0]=3 47 B9R1.8 c1ccnc(c1)CCCl AS04932 [2,0,0,0,0,0|2,0,0]=4 48 B9R1.15 CCc1ccccc1Br AS03252 [2,0,0,0,0,0|1,0,0]=3 49 B9R1.15 CCc1ccccc1I AS02158 [2,0,0,0,0,0|1,0,0]=3 50 B9R1.15 CNc1ccccc1N AS04592 [2,0,0,0,0,0|1,0,0]=3 51 B9R1.15 COc1c(cccn1)Br AS04919 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.15 COc1c(cccn1)I AS04954 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.15 COc1ccccc1Br AS02357 [2,0,0,0,0,0|1,0,0]=3 54 B9R1.15 COc1ccccc1Cl AS02676 [2,0,0,0,0,0|1,0,0]=3 55 B9R1.15 COc1ccccc1F AS01803 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.15 COc1ccccc1I AS02206 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.15 COc1ccccc1N AS01503 [2,0,0,0,0,0|0,0,0]=2 58 B9R1.15 COc1ccncc1Br AS04703 [2,0,0,0,0,0|2,0,0]=4 59 B9R1.15 COc1ccncc1Cl AS04708 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.15 CSc1ccccc1Br AS04291 [2,0,0,0,0,0|1,1,0]=4 61 B9R1.15 CSc1ccccc1Cl AS04287 [2,0,0,0,0,0|1,1,0]=4 62 B9R1.15 CSc1ccccc1F AS04284 [2,0,0,0,0,0|1,1,0]=4 63 B9R1.15 CSc1ccccc1I AS04299 [2,0,0,0,0,0|1,1,0]=4 64 B9R1.15 CSc1ccccc1N AS04281 [2,0,0,0,0,0|0,1,0]=3 65 B9R1.15 CSc1ccccc1O AS04298 [2,0,0,0,0,0|1,0,0]=3 66 B9R1.15 Cc1ccccc1C=O AS02777 [2,0,0,0,0,0|1,0,1]=4 67 B9R1.15 Cc1ccccc1CBr AS02052 [2,0,0,0,0,0|1,0,0]=3 68 B9R1.15 Cc1ccccc1CCl AS03843 [2,0,0,0,0,0|1,0,0]=3 69 B9R1.15 Cc1ccccc1CN AS00380 [2,0,0,0,0,0|0,0,0]=2 70 B9R1.15 Cc1ccccc1NN AS02962 [2,0,0,0,0,0|1,0,0]=3 71 B9R1.15 Cc1ccccc1OC AS01015 [2,0,0,0,0,0|0,0,0]=2 72 B9R1.15 Cc1ccccc1SC AS04306 [2,0,0,0,0,0|0,1,0]=3 73 B9R1.15 c1ccc(c(c1)C#N)N AS02644 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 c1ccc(c(c1)C#N)O AS02648 [2,0,0,0,0,0|0,0,2]=4 75 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [2,0,0,0,0,0|1,0,1]=4 77 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [2,0,0,0,0,0|1,0,1]=4 78 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [2,0,0,0,0,0|2,0,0]=4 83 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [2,0,0,0,0,0|1,0,0]=3 84 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [2,0,0,0,0,0|1,0,0]=3 85 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [2,0,0,0,0,0|1,0,0]=3 86 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [2,0,0,0,0,0|1,0,0]=3 87 B9R1.15 c1ccc(c(c1)CN)F AS00832 [2,0,0,0,0,0|1,0,0]=3 88 B9R1.15 c1ccc(c(c1)CN)F AS01936 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.15 c1ccc(c(c1)CN)I AS02221 [2,0,0,0,0,0|1,0,0]=3 90 B9R1.15 c1ccc(c(c1)CN)I AS02299 [2,0,0,0,0,0|1,0,0]=3 91 B9R1.15 c1ccc(c(c1)CN)N AS06598 [2,0,0,0,0,0|1,0,0]=3 92 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.15 c1ccc(c(c1)CO)F AS03976 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.15 c1ccc(c(c1)CO)I AS03985 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.15 c1ccc(c(c1)CO)N AS00575 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.15 c1ccc(c(c1)CO)O AS00547 [2,0,0,0,0,0|1,0,0]=3 98 B9R1.15 c1ccc(c(c1)NN)Br AS02014 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.15 c1ccc(c(c1)NN)Cl AS01997 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.15 c1ccc(c(c1)NN)F AS02017 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.15 c1ccc(c(c1)NN)F AS02959 [2,0,0,0,0,0|2,0,0]=4 102 B11R1.17 CCCOc1ccccc1F AS00939 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.81 CCCc1ccc(cc1O)O AS06999 [1,1,0,0,0,0|1,0,0]=3 104 B11R1.81 c1cc(c(cc1Cl)Cl)CCO AS00584 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.182 Cc1ccc(c(c1)CCO)C AS00587 [1,1,0,0,0,0|1,0,0]=3 106 B11R1.182 Cc1ccc(cc1CC#N)F AS01375 [1,1,0,0,0,0|0,0,2]=4 107 B11R1.182 c1cc(c(cc1Cl)CCN)Cl AS00491 [1,1,0,0,0,0|1,0,0]=3 108 B11R1.182 c1cc(c(cc1Cl)CCO)Cl AS00592 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.222 CCC(C)c1ccccc1N AS05311 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.222 c1ccc(c(c1)C(=O)CN)Br AS05062 [1,1,0,0,0,0|1,0,1]=4 111 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl AS05070 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.222 c1ccc(c(c1)C(=O)CN)F AS05081 [1,1,0,0,0,0|1,0,1]=4 113 B11R1.222 c1ccc(c(c1)C(=O)NN)O AS00900 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.37 CCc1cc(ccc1C=O)O AS06473 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.37 CCc1ccc(cc1CC)O AS07216 [1,1,0,0,0,0|1,0,0]=3 116 B11R1.37 COc1cc(ccc1C#C)O AS07209 [1,1,0,0,0,0|0,0,2]=4 117 B11R1.37 COc1cc(ccc1C#N)Br AS02600 [1,1,0,0,0,0|0,0,2]=4 118 B11R1.37 COc1cc(ccc1C#N)F AS03742 [1,1,0,0,0,0|0,0,2]=4 119 B11R1.37 COc1cc(ccc1C#N)O AS06316 [1,1,0,0,0,0|0,0,2]=4 120 B11R1.37 COc1cc(ccc1C=O)Br AS02782 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.37 COc1cc(ccc1C=O)Cl AS03934 [1,1,0,0,0,0|1,0,1]=4 122 B11R1.37 COc1cc(ccc1C=O)Cl AS05560 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.37 COc1cc(ccc1C=O)F AS03036 [1,1,0,0,0,0|1,0,1]=4 124 B11R1.37 COc1cc(ccc1C=O)O AS06309 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.37 COc1cc(ccc1CCl)F AS00666 [1,1,0,0,0,0|1,0,0]=3 126 B11R1.37 COc1cc(ccc1CN)F AS02609 [1,1,0,0,0,0|0,0,0]=2 127 B11R1.37 COc1cc(ccc1CO)Br AS00555 [1,1,0,0,0,0|1,0,0]=3 128 B11R1.37 COc1cc(ccc1CO)Cl AS04003 [1,1,0,0,0,0|1,0,0]=3 129 B11R1.37 COc1cc(ccc1CO)F AS03982 [1,1,0,0,0,0|1,0,0]=3 130 B11R1.37 COc1ccc(cc1C#N)Br AS03709 [1,1,0,0,0,0|0,0,2]=4 131 B11R1.37 COc1ccc(cc1C#N)Cl AS03723 [1,1,0,0,0,0|0,0,2]=4 132 B11R1.37 COc1ccc(cc1C#N)F AS03744 [1,1,0,0,0,0|0,0,2]=4 133 B11R1.37 COc1ccc(cc1C#N)I AS03755 [1,1,0,0,0,0|0,0,2]=4 134 B11R1.37 COc1ccc(cc1C=O)Br AS02976 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.37 COc1ccc(cc1C=O)Cl AS03846 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.37 COc1ccc(cc1C=O)Cl AS05561 [1,1,0,0,0,0|1,0,1]=4 137 B11R1.37 COc1ccc(cc1C=O)F AS03897 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.37 COc1ccc(cc1CBr)F AS02067 [1,1,0,0,0,0|1,0,0]=3 139 B11R1.37 COc1ccc(cc1CN)F AS02611 [1,1,0,0,0,0|0,0,0]=2 140 B11R1.37 COc1ccc(cc1CO)Br AS00560 [1,1,0,0,0,0|1,0,0]=3 141 B11R1.37 COc1ccc(cc1CO)F AS00599 [1,1,0,0,0,0|1,0,0]=3 142 B11R1.37 COc1ccc(cc1NN)Cl AS02016 [1,1,0,0,0,0|1,0,0]=3 143 B11R1.37 COc1ccc(cc1OC)Br AS03218 [1,1,0,0,0,0|1,0,0]=3 144 B11R1.37 COc1ccc(cc1OC)F AS02401 [1,1,0,0,0,0|1,0,0]=3 145 B11R1.37 COc1ccc(cc1OC)I AS02534 [1,1,0,0,0,0|1,0,0]=3 146 B11R1.37 COc1ccc(cc1OC)O AS01392 [1,1,0,0,0,0|1,0,0]=3 147 B11R1.37 Cc1ccc(c(c1)OC)C#N AS05867 [1,1,0,0,0,0|0,0,2]=4 148 B11R1.37 Cc1ccc(c(c1)OC)OC AS02540 [1,1,0,0,0,0|1,0,0]=3 149 B11R1.53 CC(=O)c1ccccc1OC AS05203 [1,1,0,0,0,0|0,0,1]=3 150 B11R1.53 CC(C)c1ccccc1C=O AS06366 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.53 CC(C)c1ccccc1OC AS01007 [1,1,0,0,0,0|0,0,0]=2 152 B11R1.53 CC(c1ccccc1OC)O AS04413 [1,1,0,0,0,0|0,0,0]=2 153 B11R1.53 COc1ccccc1[N+](=O)[O-] AS04272 [1,1,0,0,0,0|2,0,0]=4 154 B11R1.265 CCc1cccc(c1C#N)O AS06355 [1,1,0,0,0,0|2,0,0]=4 155 B11R1.265 CCc1cccc(c1C=O)O AS06356 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.265 COc1c(cccc1Cl)C=O AS05558 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.265 COc1c(cccc1Cl)C=O AS06905 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.265 COc1c(cccc1F)C=O AS01462 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.265 COc1c(cccc1F)C=O AS04977 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.265 COc1c(cccc1O)C#N AS06402 [1,1,0,0,0,0|0,0,2]=4 161 B11R1.265 COc1cccc(c1C#N)F AS05853 [1,1,0,0,0,0|0,0,2]=4 162 B11R1.265 COc1cccc(c1C=O)F AS03034 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.265 COc1cccc(c1CN)F AS06022 [1,1,0,0,0,0|0,0,0]=2 164 B11R1.265 COc1cccc(c1OC)F AS05713 [1,1,0,0,0,0|1,0,0]=3 165 B11R1.265 COc1cccc(c1OC)O AS06583 [1,1,0,0,0,0|1,0,0]=3 166 B11R1.265 Cc1cccc(c1C=O)OC AS07021 [1,1,0,0,0,0|1,0,1]=4 167 B13R1.380 c1ccc(c(c1)CC#N)OC(F)F AS01371 [0,2,0,0,0,0|0,0,2]=4 168 B13R1.622 COc1ccccc1OC(F)(F)F AS04271 [0,2,0,0,0,0|2,0,0]=4 169 B13R1.2135 COc1cccc(c1CC(=O)O)F AS02175 [0,2,0,0,0,0|1,0,1]=4 170 B13R1.2135 COc1cccc(c1CC(=O)O)F AS06106 [0,2,0,0,0,0|1,0,1]=4 171 B13R1.3089 COc1ccc(cc1CC(=O)O)Br AS00502 [0,2,0,0,0,0|1,0,1]=4 172 B13R1.3089 COc1ccc(cc1CC(=O)O)F AS00539 [0,2,0,0,0,0|1,0,1]=4 173 B13R1.382 CCOc1ccccc1C(=O)OC AS01315 [0,2,0,0,0,0|2,0,0]=4 174 B13R1.464 CCOC(=O)c1ccccc1OC AS01113 [0,2,0,0,0,0|1,0,1]=4 175 B13R1.2209 COc1ccc(cc1C(=O)CBr)Br AS05098 [0,2,0,0,0,0|1,0,1]=4 176 B13R1.2209 COc1ccc(cc1C(=O)CBr)F AS05113 [0,2,0,0,0,0|1,0,1]=4 177 B13R1.1249 CCOc1ccc(cc1OC)C=O AS03876 [0,2,0,0,0,0|2,0,0]=4 178 B13R1.1249 CCOc1ccc(cc1OC)OC AS02527 [0,2,0,0,0,0|2,0,0]=4 179 B13R1.355 CCOc1cc(ccc1OC)C#N AS05845 [0,2,0,0,0,0|2,0,0]=4 180 B13R1.355 CCOc1cc(ccc1OC)C=O AS07035 [0,2,0,0,0,0|2,0,0]=4 181 B13R1.381 c1ccc(c(c1)CCN)C(F)(F)F AS00488 [0,2,0,0,0,0|2,0,0]=4 182 B11R1.280 COc1ccc(c(c1)CN)F AS02607 [0,0,1,1,0,0|1,0,1]=4 183 B11R2.106 c1cc2c(c(c1)F)CCN2 AS06054 [1,0,0,1,0,0|1,0,0]=3 184 B13R2.581 COc1cccc2c1nc(s2)N AS07104 [0,1,0,1,0,0|1,0,1]=4 185 B13R2.33 c1ccc2c(c1)CCC(=O)CC2 AS06277 [0,1,0,1,0,0|2,0,0]=4