0 B11R1.87 CC(C)(C)c1ccccc1N AS05312 [0,0,0,0,0,0|4,0,0]=4 1 B11R1.87 c1ccc(c(c1)C(F)(F)F)N AS00464 [0,0,0,0,0,0|4,0,0]=4 2 B11R1.87 c1ccc(c(c1)F)S(=O)(=O)Cl AS03383 [0,0,0,0,0,0|2,0,0]=2 3 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Br AS03498 [0,0,0,0,0,0|2,0,0]=2 4 B11R1.87 c1ccc(c(c1)S(=O)(=O)Cl)Cl AS03508 [0,0,0,0,0,0|2,0,0]=2 5 B11R1.87 c1ccc(c(c1)S(=O)(=O)N)Br AS02434 [0,0,0,0,0,0|1,0,0]=1 6 B10R1.61 CC(=O)c1ccccc1Br AS01164 [1,0,0,0,0,0|3,0,0]=4 7 B10R1.61 CC(=O)c1ccccc1Cl AS01142 [1,0,0,0,0,0|3,0,0]=4 8 B10R1.61 CC(=O)c1ccccc1F AS01129 [1,0,0,0,0,0|3,0,0]=4 9 B10R1.61 CC(=O)c1ccccc1I AS03911 [1,0,0,0,0,0|3,0,0]=4 10 B10R1.61 CC(=O)c1ccccc1O AS01159 [1,0,0,0,0,0|3,0,0]=4 11 B10R1.61 CC(c1ccccc1Br)N AS03460 [1,0,0,0,0,0|3,0,0]=4 12 B10R1.61 CC(c1ccccc1Cl)N AS02835 [1,0,0,0,0,0|3,0,0]=4 13 B10R1.61 CC(c1ccccc1F)N AS00852 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.61 C[C@H](c1ccccc1O)N AS06796 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.61 Cc1ccccc1[N+](=O)[O-] AS00108 [1,0,0,0,0,0|2,0,1]=4 16 B10R1.61 c1ccc(c(c1)C(=O)Cl)I AS00019 [1,0,0,0,0,0|3,0,0]=4 17 B10R1.61 c1ccc(c(c1)C(=O)N)Br AS00918 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.61 c1ccc(c(c1)C(=O)N)Cl AS02678 [1,0,0,0,0,0|2,0,0]=3 19 B10R1.61 c1ccc(c(c1)C(=O)N)F AS00829 [1,0,0,0,0,0|2,0,0]=3 20 B10R1.61 c1ccc(c(c1)C(=O)N)I AS02212 [1,0,0,0,0,0|2,0,0]=3 21 B10R1.61 c1ccc(c(c1)C(=O)O)Br AS00760 [1,0,0,0,0,0|2,0,1]=4 22 B10R1.61 c1ccc(c(c1)C(=O)O)Cl AS00802 [1,0,0,0,0,0|2,0,1]=4 23 B10R1.61 c1ccc(c(c1)C(=O)O)F AS00814 [1,0,0,0,0,0|2,0,1]=4 24 B10R1.61 c1ccc(c(c1)C(=O)O)I AS02216 [1,0,0,0,0,0|2,0,1]=4 25 B10R1.61 c1ccc(c(c1)C(=O)[O-])F AS00773 [1,0,0,0,0,0|2,0,1]=4 26 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] AS01504 [1,0,0,0,0,0|1,0,1]=3 27 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br AS03439 [1,0,0,0,0,0|2,0,1]=4 28 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F AS01522 [1,0,0,0,0,0|2,0,1]=4 29 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F AS04477 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])F AS05721 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I AS02273 [1,0,0,0,0,0|2,0,1]=4 32 B10R1.61 c1cncc(c1N)[N+](=O)[O-] AS04897 [1,0,0,0,0,0|2,0,1]=4 33 B12R1.76 c1ccc(c(c1)C#N)S(=O)(=O)N AS02436 [0,1,0,0,0,0|0,0,1]=2 34 B12R1.126 Cc1cc(ccc1S(=O)(=O)Cl)F AS05035 [0,1,0,0,0,0|2,0,0]=3 35 B12R1.126 Cc1ccc(c(c1)C)S(=O)(=O)Cl AS05041 [0,1,0,0,0,0|2,0,0]=3 36 B12R1.126 Cc1ccc(c(c1)F)S(=O)(=O)Cl AS05029 [0,1,0,0,0,0|2,0,0]=3 37 B12R1.126 c1cc(c(cc1Br)Cl)S(=O)(=O)Cl AS03426 [0,1,0,0,0,0|2,0,0]=3 38 B12R1.126 c1cc(c(cc1Br)F)S(=O)(=O)Cl AS03661 [0,1,0,0,0,0|2,0,0]=3 39 B12R1.126 c1cc(c(cc1Cl)Cl)S(=O)(=O)Cl AS03519 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.126 c1cc(c(cc1F)Br)S(=O)(=O)Cl AS03679 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.126 c1cc(c(cc1F)F)S(=O)(=O)Cl AS05038 [0,1,0,0,0,0|2,0,0]=3 42 B12R1.126 c1cc(c(cc1F)F)S(=O)(=O)N AS02438 [0,1,0,0,0,0|1,0,0]=2 43 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)Cl)C AS05042 [0,1,0,0,0,0|2,0,0]=3 44 B12R1.128 Cc1ccc(c(c1)S(=O)(=O)Cl)F AS05030 [0,1,0,0,0,0|2,0,0]=3 45 B12R1.128 Cc1ccc(cc1S(=O)(=O)Cl)F AS05037 [0,1,0,0,0,0|2,0,0]=3 46 B12R1.128 c1cc(c(cc1Br)S(=O)(=O)Cl)Cl AS06907 [0,1,0,0,0,0|2,0,0]=3 47 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)Cl)Cl AS03520 [0,1,0,0,0,0|2,0,0]=3 48 B12R1.128 c1cc(c(cc1Cl)S(=O)(=O)N)N AS07214 [0,1,0,0,0,0|0,0,0]=1 49 B12R1.128 c1cc(c(cc1F)S(=O)(=O)Cl)F AS03496 [0,1,0,0,0,0|2,0,0]=3 50 B12R1.228 Cc1c(cccc1S(=O)(=O)Cl)F AS05033 [0,1,0,0,0,0|2,0,0]=3 51 B12R1.228 Cc1cccc(c1F)S(=O)(=O)Cl AS05028 [0,1,0,0,0,0|2,0,0]=3 52 B12R1.228 c1cc(c(c(c1)Cl)Cl)S(=O)(=O)Cl AS03510 [0,1,0,0,0,0|2,0,0]=3 53 B12R1.1010 Cc1cccc(c1S(=O)(=O)Cl)F AS05031 [0,1,0,0,0,0|2,0,0]=3 54 B12R1.1010 c1cc(c(c(c1)Cl)S(=O)(=O)Cl)Cl AS03523 [0,1,0,0,0,0|2,0,0]=3 55 B12R1.1010 c1cc(c(c(c1)F)S(=O)(=O)Cl)F AS03420 [0,1,0,0,0,0|2,0,0]=3 56 B12R1.151 c1ccc(c(c1)CS(=O)(=O)Cl)F AS05027 [0,0,0,0,0,1|2,0,0]=3 57 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [2,0,0,0,0,0|2,0,0]=4 58 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [2,0,0,0,0,0|1,0,1]=4 59 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [2,0,0,0,0,0|1,0,1]=4 60 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [2,0,0,0,0,0|1,0,1]=4 61 B9R1.15 CNc1ccccc1N AS04592 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.15 COc1ccccc1N AS01503 [2,0,0,0,0,0|1,1,0]=4 63 B9R1.15 CSc1ccccc1N AS04281 [2,0,0,0,0,0|1,0,1]=4 64 B9R1.15 Cc1ccccc1C=O AS02777 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 Cc1ccccc1CN AS00380 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 Cc1ccccc1NN AS02962 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 c1ccc(c(c1)C#N)N AS02644 [2,0,0,0,0,0|1,0,1]=4 68 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [2,0,0,0,0,0|2,0,0]=4 69 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [2,0,0,0,0,0|1,0,0]=3 72 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [2,0,0,0,0,0|2,0,0]=4 75 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [2,0,0,0,0,0|2,0,0]=4 78 B9R1.15 c1ccc(c(c1)CN)F AS00832 [2,0,0,0,0,0|2,0,0]=4 79 B9R1.15 c1ccc(c(c1)CN)F AS01936 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.15 c1ccc(c(c1)CN)I AS02221 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.15 c1ccc(c(c1)CN)I AS02299 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.15 c1ccc(c(c1)CN)N AS06598 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.15 c1ccc(c(c1)CO)N AS00575 [2,0,0,0,0,0|1,0,1]=4 84 B9R1.15 c1ccc(c(c1)NN)Br AS02014 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.15 c1ccc(c(c1)NN)Cl AS01997 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.15 c1ccc(c(c1)NN)F AS02017 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.15 c1ccc(c(c1)NN)F AS02959 [2,0,0,0,0,0|2,0,0]=4 88 B11R1.19 c1cc(ccc1F)S(=O)(=O)Cl AS03430 [1,1,0,0,0,0|1,0,0]=3 89 B11R1.19 c1cc(ccc1N)S(=O)(=O)O AS01575 [1,1,0,0,0,0|1,0,0]=3 90 B11R1.19 c1cc(ccc1O)S(=O)(=O)Cl AS06995 [1,1,0,0,0,0|1,0,0]=3 91 B11R1.19 c1cc(ccc1S(=O)(=O)Cl)Br AS03507 [1,1,0,0,0,0|1,0,0]=3 92 B11R1.155 c1cc(cc(c1)Br)S(=O)(=O)Cl AS03506 [1,1,0,0,0,0|1,0,0]=3 93 B11R1.155 c1cc(cc(c1)Cl)S(=O)(=O)Cl AS03509 [1,1,0,0,0,0|1,0,0]=3 94 B11R1.155 c1cc(cc(c1)S(=O)(=O)Cl)F AS03414 [1,1,0,0,0,0|1,0,0]=3 95 B11R1.53 c1ccc(c(c1)C(=O)O)NN AS04612 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.156 Cc1cccc(c1C(=O)O)N AS00734 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.156 c1cc(c(c(c1)Br)C(=O)O)N AS00804 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.156 c1cc(c(c(c1)Br)[N+](=O)[O-])N AS04062 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.156 c1cc(c(c(c1)Cl)C(=O)O)N AS00733 [1,1,0,0,0,0|1,0,1]=4 100 B11R1.156 c1cc(c(c(c1)Cl)[N+](=O)[O-])N AS04123 [1,1,0,0,0,0|1,0,1]=4 101 B11R1.156 c1cc(c(c(c1)F)C(=O)N)F AS05891 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.156 c1cc(c(c(c1)F)C(=O)O)N AS00980 [1,1,0,0,0,0|1,0,1]=4 103 B11R1.156 c1cc(c(c(c1)F)[N+](=O)[O-])N AS05383 [1,1,0,0,0,0|1,0,1]=4 104 B11R1.156 c1cc(c(c(c1)I)C(=O)N)Cl AS05888 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.159 CC(=O)c1cccc(c1N)Cl AS05071 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.159 Cc1cccc(c1Br)C(=O)N AS03421 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.159 Cc1cccc(c1C)C(=O)N AS00808 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.159 Cc1cccc(c1Cl)C(=O)N AS02812 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.159 Cc1cccc(c1I)C(=O)N AS02258 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.159 Cc1cccc(c1N)C(=O)C AS05090 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.159 Cc1cccc(c1N)[N+](=O)[O-] AS00441 [1,1,0,0,0,0|1,0,1]=4 112 B11R1.159 c1cc(c(c(c1)Br)F)C(=O)N AS03285 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.159 c1cc(c(c(c1)Br)N)C(=O)O AS00988 [1,1,0,0,0,0|1,0,1]=4 114 B11R1.159 c1cc(c(c(c1)Br)N)[N+](=O)[O-] AS04118 [1,1,0,0,0,0|1,0,1]=4 115 B11R1.159 c1cc(c(c(c1)F)F)C(=O)N AS00795 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.159 c1cc(c(c(c1)F)N)C(=O)N AS05884 [1,1,0,0,0,0|1,0,0]=3 117 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AS00981 [1,1,0,0,0,0|1,0,1]=4 118 B11R1.159 c1cc(c(c(c1)F)N)C(=O)O AS01538 [1,1,0,0,0,0|1,0,1]=4 119 B11R1.159 c1cc(c(c(c1)F)N)[N+](=O)[O-] AS04093 [1,1,0,0,0,0|1,0,1]=4 120 B11R1.159 c1cc(c(c(c1)I)N)C(=O)O AS00148 [1,1,0,0,0,0|1,0,1]=4 121 B11R1.159 c1cc(c(c(c1)N)N)C(=O)N AS06874 [1,1,0,0,0,0|1,0,0]=3 122 B11R1.159 c1cc(c(c(c1)N)N)C(=O)O AS00805 [1,1,0,0,0,0|1,0,1]=4 123 B11R1.166 CC(=O)c1ccc(cc1N)F AS06564 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [1,1,0,0,0,0|1,0,1]=4 125 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] AS02089 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.166 c1cc(c(cc1Br)Br)C(=O)N AS05890 [1,1,0,0,0,0|2,0,0]=4 127 B11R1.166 c1cc(c(cc1Br)N)C(=O)O AS00990 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.166 c1cc(c(cc1Br)N)[N+](=O)[O-] AS05302 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.166 c1cc(c(cc1Br)O)C(=O)N AS03343 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N AS05883 [1,1,0,0,0,0|1,0,0]=3 131 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O AS00756 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.166 c1cc(c(cc1Cl)N)[N+](=O)[O-] AS04124 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.166 c1cc(c(cc1F)F)C(=O)N AS00796 [1,1,0,0,0,0|2,0,0]=4 134 B11R1.166 c1cc(c(cc1F)N)C(=O)O AS00975 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] AS05385 [1,1,0,0,0,0|1,0,1]=4 136 B11R1.167 CC(=O)c1cc(ccc1N)Br AS05066 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.167 Cc1ccc(c(c1)C(=O)N)N AS05885 [1,1,0,0,0,0|1,0,0]=3 138 B11R1.167 Cc1ccc(c(c1)C(=O)O)N AS00870 [1,1,0,0,0,0|1,0,1]=4 139 B11R1.167 Cc1ccc(c(c1)[N+](=O)[O-])N AS06934 [1,1,0,0,0,0|1,0,1]=4 140 B11R1.167 c1cc(c(cc1Br)C(=O)N)Br AS03511 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.167 c1cc(c(cc1Br)C(=O)N)Cl AS03125 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.167 c1cc(c(cc1Br)C(=O)N)I AS03359 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.167 c1cc(c(cc1Br)C(=O)O)N AS00984 [1,1,0,0,0,0|1,0,1]=4 144 B11R1.167 c1cc(c(cc1Br)[N+](=O)[O-])N AS00430 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.167 c1cc(c(cc1Cl)C(=O)N)Cl AS02859 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.167 c1cc(c(cc1Cl)C(=O)O)N AS01120 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.167 c1cc(c(cc1Cl)[N+](=O)[O-])N AS05334 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.167 c1cc(c(cc1F)C(=O)O)N AS00978 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.167 c1cc(c(cc1F)[N+](=O)[O-])N AS03262 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.167 c1cc(c(cc1I)C(=O)N)Cl AS03059 [1,1,0,0,0,0|2,0,0]=4 151 B11R1.167 c1cc(c(cc1I)C(=O)N)O AS02195 [1,1,0,0,0,0|2,0,0]=4 152 B11R1.167 c1cc(c(cc1I)C(=O)O)N AS02983 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.167 c1cc(c(cc1I)[N+](=O)[O-])N AS05393 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.222 COC(=O)c1ccccc1N AS01236 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.222 c1ccc(c(c1)C(=O)CN)Br AS05062 [1,1,0,0,0,0|2,0,0]=4 156 B11R1.222 c1ccc(c(c1)C(=O)CN)Cl AS05070 [1,1,0,0,0,0|2,0,0]=4 157 B11R1.222 c1ccc(c(c1)C(=O)CN)F AS05081 [1,1,0,0,0,0|2,0,0]=4 158 B11R1.222 c1ccc(c(c1)C(=O)NN)Br AS00926 [1,1,0,0,0,0|2,0,0]=4 159 B11R1.222 c1ccc(c(c1)C(=O)NN)Cl AS02682 [1,1,0,0,0,0|2,0,0]=4 160 B11R1.222 c1ccc(c(c1)C(=O)NN)F AS02953 [1,1,0,0,0,0|2,0,0]=4 161 B11R1.222 c1ccc(c(c1)C(=O)NN)O AS00900 [1,1,0,0,0,0|2,0,0]=4 162 B13R1.349 c1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)Cl AS04629 [0,2,0,0,0,0|1,0,1]=4 163 B13R1.877 c1c(c(cc(c1F)Cl)S(=O)(=O)Cl)F AS03384 [0,2,0,0,0,0|2,0,0]=4 164 B13R1.98 c1cc(c(cc1C#N)S(=O)(=O)Cl)Cl AS06903 [0,2,0,0,0,0|2,0,0]=4 165 B13R1.2815 c1c(cc(c(c1S(=O)(=O)[O-])O)Cl)Cl AS06259 [0,2,0,0,0,0|2,0,0]=4 166 B13R1.3802 CC(C)S(=O)(=O)c1ccccc1N AS04676 [0,2,0,0,0,0|1,0,0]=3 167 B13R1.645 COc1cccc(c1F)S(=O)(=O)C AS04273 [0,2,0,0,0,0|2,0,0]=4