0 B9R1.1 CCc1ccc(cc1)Br AS03254 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.1 CCc1ccc(cc1)F AS04424 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.1 CCc1ccc(cc1)I AS02159 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.1 CNc1ccc(cc1)I AS05390 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.1 COc1ccc(cc1)Br AS02358 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.1 COc1ccc(cc1)Cl AS01802 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.1 COc1ccc(cc1)F AS02586 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.1 COc1ccc(cc1)I AS02208 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.1 COc1ccc(cc1)O AS04576 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.1 COc1ccc(cn1)Br AS03404 [0,0,0,0,0,0|3,0,0]=3 10 B9R1.1 COc1ccc(cn1)F AS04877 [0,0,0,0,0,0|3,0,0]=3 11 B9R1.1 COc1ccc(nc1)Br AS04912 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.1 CSc1ccc(cc1)Br AS04293 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.1 CSc1ccc(cc1)Cl AS04289 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.1 CSc1ccc(cc1)F AS04286 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.1 CSc1ccc(cc1)N AS04283 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.1 Cc1ccc(cc1)C#N AS03761 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.1 Cc1ccc(cc1)C=O AS02824 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.1 Cc1ccc(cc1)CCl AS00637 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.1 Cc1ccc(cc1)SC AS04302 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.1 Cc1ccc(nc1)C#N AS04709 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.1 c1cc(ccc1CBr)Br AS02044 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.1 c1cc(ccc1CBr)F AS00664 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.1 c1cc(ccc1CBr)I AS00645 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.1 c1cc(ccc1CCl)Br AS00646 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.1 c1cc(ccc1CCl)F AS00660 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.1 c1cc(ccc1CCl)F AS02054 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.1 c1cc(ccc1CN)Br AS02268 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.1 c1cc(ccc1CN)Br AS03103 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.1 c1cc(ccc1CN)Br AS06970 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.1 c1cc(ccc1CN)Cl AS00379 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.1 c1cc(ccc1CN)Cl AS02689 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.1 c1cc(ccc1CN)F AS00834 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.1 c1cc(ccc1CN)F AS01938 [0,0,0,0,0,0|4,0,0]=4 35 B9R1.1 c1cc(ccc1CN)I AS02223 [0,0,0,0,0,0|4,0,0]=4 36 B9R1.1 c1cc(ccc1CN)I AS02301 [0,0,0,0,0,0|4,0,0]=4 37 B9R1.1 c1cc(ccc1CO)Br AS03954 [0,0,0,0,0,0|4,0,0]=4 38 B9R1.1 c1cc(ccc1CO)Cl AS03965 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.1 c1cc(ccc1CO)F AS03978 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.1 c1cc(ccc1CO)I AS00604 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.1 c1cc(ccc1CO)I AS03987 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.1 c1cc(ccc1CO)N AS00548 [0,0,0,0,0,0|4,0,0]=4 43 B9R1.1 c1cc(ccc1CO)O AS00576 [0,0,0,0,0,0|4,0,0]=4 44 B9R1.1 c1cc(ncc1Br)C#N AS04632 [0,0,0,0,0,0|3,0,1]=4 45 B9R1.1 c1cc(ncc1C#N)Br AS04910 [0,0,0,0,0,0|3,0,1]=4 46 B9R1.1 c1cc(ncc1C=O)Br AS06180 [0,0,0,0,0,0|3,0,1]=4 47 B8R1.2 COc1ccccc1 AS04310 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.2 COc1ccccc1 AS06877 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.2 COc1ccccn1 AS01009 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.2 COc1cccnc1 AS01010 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.2 CSc1ccccc1 AS04279 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.2 c1ccc(cc1)CBr AS02048 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.2 c1ccc(cc1)CO AS04466 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.3 Cc1ccc(cc1)C AS00254 [1,0,0,0,0,0|2,0,0]=3 55 B8R1.3 Cc1ccc(cc1)F AS00305 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.3 Cc1ccc(cc1)I AS02294 [1,0,0,0,0,0|3,0,0]=4 57 B8R1.3 Cc1ccc(cc1)N AS06931 [1,0,0,0,0,0|3,0,0]=4 58 B8R1.3 Cc1ccc(cn1)F AS04876 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.3 Cc1ccc(nc1)Br AS04906 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.3 Cc1ccc(nc1)F AS04850 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.3 c1cc(ncc1Br)Cl AS04922 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.3 c1cc(ncc1Br)F AS04801 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.3 c1cc(ncc1Br)I AS04928 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.3 c1cc(ncc1Br)N AS04888 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.3 c1cc(ncc1Cl)F AS04821 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.3 c1cc(ncc1Cl)N AS04770 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.3 c1cc(ncc1Cl)O AS04939 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.3 c1cc(ncc1F)Br AS04782 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.3 c1cc(ncc1F)F AS04727 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.3 c1cc(ncc1F)N AS04771 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.3 c1cc(ncc1F)O AS04872 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.3 c1cc(ncc1I)F AS04841 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.3 c1cc(ncc1I)N AS02984 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.3 c1cc(ncc1N)Cl AS04902 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.3 c1cc(ncc1N)F AS04778 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.3 c1cc(ncc1N)N AS04945 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.3 c1cc(ncc1O)F AS04834 [1,0,0,0,0,0|3,0,0]=4 79 B10R1.1 CCOc1ccc(cc1)Br AS03448 [0,1,0,0,0,0|3,0,0]=4 80 B10R1.1 CCOc1ccc(cc1)F AS02638 [0,1,0,0,0,0|3,0,0]=4 81 B10R1.1 CCOc1ccc(cc1)I AS02282 [0,1,0,0,0,0|3,0,0]=4 82 B10R1.1 Cc1ccc(cc1)CC#N AS01373 [0,1,0,0,0,0|2,0,1]=4 83 B10R1.1 Cc1ccc(cc1)CC#N AS06119 [0,1,0,0,0,0|2,0,1]=4 84 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [0,1,0,0,0,0|2,0,0]=3 85 B10R1.1 Cc1ccc(cc1)CCN AS00487 [0,1,0,0,0,0|2,0,0]=3 86 B10R1.1 Cc1ccc(cc1)CCO AS00590 [0,1,0,0,0,0|2,0,0]=3 87 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.1 c1cc(ccc1CCBr)F AS00126 [0,1,0,0,0,0|3,0,0]=4 89 B10R1.1 c1cc(ccc1CCBr)F AS01797 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.1 c1cc(ccc1CCN)Br AS06806 [0,1,0,0,0,0|3,0,0]=4 92 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [0,1,0,0,0,0|3,0,0]=4 93 B10R1.1 c1cc(ccc1CCN)F AS00493 [0,1,0,0,0,0|3,0,0]=4 94 B10R1.1 c1cc(ccc1CCO)Br AS00568 [0,1,0,0,0,0|3,0,0]=4 95 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.1 c1cc(ccc1CCO)F AS00589 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.1 c1cc(ccc1CCO)N AS00567 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.1 c1cc(ccc1CCO)O AS00553 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.3 CCc1ccc(cc1)OC AS02574 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.3 COc1ccc(cc1)CCl AS02049 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.3 COc1ccc(cc1)CN AS00371 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.3 COc1ccc(cc1)OC AS06962 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.3 COc1ccc(cc1)SC AS04296 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.3 CSc1ccc(cc1)CN AS06024 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.3 c1cc(ccc1CBr)CBr AS00653 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.3 c1cc(ccc1CO)CBr AS05951 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.3 c1cc(ccc1CO)CO AS00556 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,1,0,0,0,0|2,0,1]=4 109 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,1,0,0,0,0|2,0,1]=4 110 B10R1.13 CC(C)c1ccc(cc1)I AS02289 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.13 CC(C)c1ccc(cc1)S AS00078 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.13 CC(c1ccc(cc1)Br)N AS03462 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.13 CC(c1ccc(cc1)Br)O AS03465 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.13 CC(c1ccc(cc1)Cl)Br AS06898 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.13 CC(c1ccc(cc1)Cl)N AS02836 [0,1,0,0,0,0|3,0,0]=4 116 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [0,1,0,0,0,0|2,0,1]=4 119 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] AS04952 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.25 COc1c(cc(cn1)F)Br AS04795 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.25 COc1c(cc(cn1)F)O AS04881 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.25 COc1c(cc(cn1)N)Br AS04900 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.25 Cc1ccc(c(c1)Br)OC AS03405 [0,1,0,0,0,0|3,0,0]=4 124 B10R1.25 Cc1ccc(c(c1)C)CCl AS00710 [0,1,0,0,0,0|3,0,0]=4 125 B10R1.25 Cc1ccc(c(c1)C)OC AS02541 [0,1,0,0,0,0|3,0,0]=4 126 B10R1.25 Cc1ccc(c(c1)Cl)OC AS02799 [0,1,0,0,0,0|3,0,0]=4 127 B10R1.25 Cc1ccc(c(c1)I)OC AS02092 [0,1,0,0,0,0|3,0,0]=4 128 B10R1.176 CCc1ccc(c(c1)Br)Br AS03544 [0,1,0,0,0,0|3,0,0]=4 129 B10R1.176 CCc1ccc(c(c1)Br)Cl AS03141 [0,1,0,0,0,0|3,0,0]=4 130 B10R1.176 CCc1ccc(c(c1)Br)I AS03255 [0,1,0,0,0,0|3,0,0]=4 131 B10R1.176 CCc1ccc(c(c1)Br)N AS03249 [0,1,0,0,0,0|3,0,0]=4 132 B10R1.176 CCc1ccc(c(c1)Br)N AS03250 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.176 CCc1ccc(c(c1)N)O AS06527 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.176 CCc1ccc(c(c1)O)Cl AS02714 [0,1,0,0,0,0|3,0,0]=4 135 B10R1.176 CCc1ccc(c(c1)O)O AS06481 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.176 COc1cc(c(cn1)F)Br AS04799 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.176 COc1cc(c(cn1)F)I AS04873 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.176 Cc1c(ccc(n1)OC)Br AS04927 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.176 Cc1c(ccc(n1)OC)F AS04875 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.176 Cc1ccc(cc1Br)OC AS05453 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.176 Cc1ccc(cc1C)CCl AS00712 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.176 Cc1ccc(cc1C)CN AS06971 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.176 Cc1ccc(cc1C)CO AS00594 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.176 Cc1ccc(cc1C)OC AS02544 [0,1,0,0,0,0|3,0,0]=4 145 B10R1.176 Cc1ccc(cc1Cl)CN AS00381 [0,1,0,0,0,0|3,0,0]=4 146 B10R1.176 Cc1ccc(cc1Cl)OC AS02808 [0,1,0,0,0,0|3,0,0]=4 147 B10R1.176 Cc1ccc(cc1F)CN AS06972 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.176 Cc1ccc(cc1F)OC AS02625 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.176 Cc1ccc(cc1N)OC AS05433 [0,1,0,0,0,0|3,0,0]=4 150 B7R1.3 c1cc(cnc1)Br AS03469 [2,0,0,0,0,0|2,0,0]=4 151 B7R1.3 c1cc(cnc1)Cl AS02841 [2,0,0,0,0,0|2,0,0]=4 152 B7R1.3 c1cc(cnc1)F AS06189 [2,0,0,0,0,0|2,0,0]=4 153 B7R1.3 c1ccnc(c1)Cl AS06184 [2,0,0,0,0,0|2,0,0]=4 154 B7R1.3 c1ccnc(c1)F AS04826 [2,0,0,0,0,0|2,0,0]=4 155 B9R1.2 CCc1cccc(c1)Br AS03253 [1,1,0,0,0,0|2,0,0]=4 156 B9R1.2 CCc1cccc(c1)N AS00465 [1,1,0,0,0,0|2,0,0]=4 157 B9R1.2 CCc1cccc(c1)O AS04468 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.2 COc1cc(ccn1)Br AS04921 [1,1,0,0,0,0|2,0,0]=4 159 B9R1.2 COc1cccc(n1)Br AS04908 [1,1,0,0,0,0|2,0,0]=4 160 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [1,1,0,0,0,0|2,0,0]=4 161 B9R1.8 c1ccc(cc1)CCCl AS00650 [1,1,0,0,0,0|2,0,0]=4 162 B9R1.8 c1ccc(cc1)CCN AS00484 [1,1,0,0,0,0|2,0,0]=4 163 B9R1.8 c1ccc(cc1)CCO AS00558 [1,1,0,0,0,0|2,0,0]=4 164 B9R1.8 c1ccnc(c1)CCCl AS04932 [1,1,0,0,0,0|1,0,0]=3 165 B9R1.15 CCc1ccccc1Br AS03252 [1,1,0,0,0,0|2,0,0]=4 166 B9R1.15 CCc1ccccc1I AS02158 [1,1,0,0,0,0|2,0,0]=4 167 B9R1.15 COc1c(cccn1)Br AS04919 [1,1,0,0,0,0|2,0,0]=4 168 B9R1.15 COc1c(cccn1)I AS04954 [1,1,0,0,0,0|2,0,0]=4 169 B9R1.69 Cc1cc(c(nc1)Br)F AS04783 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.69 Cc1cc(c(nc1)Cl)F AS04806 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.69 Cc1cc(c(nc1)F)Br AS04792 [1,1,0,0,0,0|2,0,0]=4 172 B9R1.69 Cc1cc(c(nc1)F)I AS04837 [1,1,0,0,0,0|2,0,0]=4 173 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [1,1,0,0,0,0|2,0,0]=4 174 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [1,1,0,0,0,0|2,0,0]=4 175 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [1,1,0,0,0,0|2,0,0]=4 176 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [1,1,0,0,0,0|2,0,0]=4 178 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [1,1,0,0,0,0|2,0,0]=4 179 B9R1.69 Cc1ccc(c(n1)Br)F AS04789 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.69 Cc1ccc(c(n1)Br)N AS04697 [1,1,0,0,0,0|2,0,0]=4 181 B9R1.69 Cc1ccc(c(n1)C)Br AS06965 [1,1,0,0,0,0|2,0,0]=4 182 B9R1.69 Cc1ccc(c(n1)Cl)Br AS04915 [1,1,0,0,0,0|2,0,0]=4 183 B9R1.69 Cc1ccc(c(n1)Cl)F AS04723 [1,1,0,0,0,0|2,0,0]=4 184 B9R1.69 Cc1ccc(c(n1)F)I AS04836 [1,1,0,0,0,0|2,0,0]=4 185 B9R1.69 Cc1ccc(c(n1)F)O AS04857 [1,1,0,0,0,0|2,0,0]=4 186 B9R1.69 Cc1ccc(c(n1)N)Br AS04887 [1,1,0,0,0,0|2,0,0]=4 187 B9R1.69 Cc1cnc(cc1I)F AS04838 [1,1,0,0,0,0|2,0,0]=4 188 B11R1.83 CCOc1ccc(cc1)CO AS05972 [0,2,0,0,0,0|2,0,0]=4 189 B11R1.192 CCOc1ccc(c(c1)C)C AS02547 [0,2,0,0,0,0|2,0,0]=4 190 B11R1.3 CC(C)c1ccc(cc1)OC AS01008 [0,2,0,0,0,0|2,0,0]=4 191 B11R1.3 CC(c1ccc(cc1)OC)N AS04622 [0,2,0,0,0,0|2,0,0]=4 192 B11R1.3 CCc1ccc(cc1)C(=O)C AS03877 [0,2,0,0,0,0|2,0,0]=4 193 B11R1.3 CCc1ccc(cc1)C(C)N AS00822 [0,2,0,0,0,0|2,0,0]=4 194 B11R1.3 C[C@H](c1ccc(cc1)OC)N AS04502 [0,2,0,0,0,0|2,0,0]=4 195 B11R1.21 Cc1ccc(cc1C)C(C)N AS00809 [0,2,0,0,0,0|2,0,0]=4 196 B11R1.21 Cc1ccc(cc1N)C(C)C AS05395 [0,2,0,0,0,0|2,0,0]=4 197 B11R1.21 Cc1ccc(cc1O)C(C)C AS07190 [0,2,0,0,0,0|2,0,0]=4