0 B9R1.1 C#Cc1ccc(cc1)F AS00454 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.1 C#Cc1ccc(cc1)N AS04615 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.1 C=Cc1ccc(cc1)Br AS03806 [0,0,0,0,0,0|1,0,0]=1 3 B9R1.1 C=Cc1ccc(cc1)F AS03795 [0,0,0,0,0,0|1,0,0]=1 4 B9R1.1 CCc1ccc(cc1)Br AS03254 [0,0,0,0,0,0|1,0,2]=3 5 B9R1.1 CCc1ccc(cc1)F AS04424 [0,0,0,0,0,0|1,0,2]=3 6 B9R1.1 CCc1ccc(cc1)I AS02159 [0,0,0,0,0,0|1,0,2]=3 7 B9R1.1 CNc1ccc(cc1)I AS05390 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.1 COc1ccc(cc1)Br AS02358 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.1 COc1ccc(cc1)Cl AS01802 [0,0,0,0,0,0|2,0,1]=3 10 B9R1.1 COc1ccc(cc1)F AS02586 [0,0,0,0,0,0|2,0,1]=3 11 B9R1.1 COc1ccc(cc1)I AS02208 [0,0,0,0,0,0|2,0,1]=3 12 B9R1.1 COc1ccc(cc1)O AS04576 [0,0,0,0,0,0|1,0,1]=2 13 B9R1.1 COc1ccc(cn1)Br AS03404 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.1 COc1ccc(cn1)F AS04877 [0,0,0,0,0,0|3,0,1]=4 15 B9R1.1 COc1ccc(nc1)Br AS04912 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.1 CSc1ccc(cc1)Br AS04293 [0,0,0,0,0,0|2,0,1]=3 17 B9R1.1 CSc1ccc(cc1)Cl AS04289 [0,0,0,0,0,0|2,0,1]=3 18 B9R1.1 CSc1ccc(cc1)F AS04286 [0,0,0,0,0,0|2,0,1]=3 19 B9R1.1 CSc1ccc(cc1)N AS04283 [0,0,0,0,0,0|2,0,1]=3 20 B9R1.1 Cc1ccc(cc1)C#N AS03761 [0,0,0,0,0,0|2,0,1]=3 21 B9R1.1 Cc1ccc(cc1)C=O AS02824 [0,0,0,0,0,0|2,0,0]=2 22 B9R1.1 Cc1ccc(cc1)CCl AS00637 [0,0,0,0,0,0|2,0,1]=3 23 B9R1.1 Cc1ccc(cc1)SC AS04302 [0,0,0,0,0,0|2,0,1]=3 24 B9R1.1 Cc1ccc(nc1)C#N AS04709 [0,0,0,0,0,0|3,0,1]=4 25 B9R1.1 c1cc(ccc1C#N)Br AS03698 [0,0,0,0,0,0|2,0,1]=3 26 B9R1.1 c1cc(ccc1C#N)Cl AS02369 [0,0,0,0,0,0|2,0,1]=3 27 B9R1.1 c1cc(ccc1C#N)F AS03736 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.1 c1cc(ccc1C#N)I AS03752 [0,0,0,0,0,0|2,0,1]=3 29 B9R1.1 c1cc(ccc1C#N)N AS02646 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.1 c1cc(ccc1C#N)O AS02647 [0,0,0,0,0,0|1,0,1]=2 31 B9R1.1 c1cc(ccc1C=O)Br AS02893 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.1 c1cc(ccc1C=O)F AS02846 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.1 c1cc(ccc1C=O)F AS03001 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.1 c1cc(ccc1C=O)I AS03916 [0,0,0,0,0,0|2,0,0]=2 36 B9R1.1 c1cc(ccc1C=O)N AS06990 [0,0,0,0,0,0|2,0,0]=2 37 B9R1.1 c1cc(ccc1C=O)O AS02994 [0,0,0,0,0,0|1,0,0]=1 38 B9R1.1 c1cc(ccc1CBr)Br AS02044 [0,0,0,0,0,0|2,0,1]=3 39 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [0,0,0,0,0,0|2,0,1]=3 40 B9R1.1 c1cc(ccc1CBr)F AS00664 [0,0,0,0,0,0|2,0,1]=3 41 B9R1.1 c1cc(ccc1CBr)I AS00645 [0,0,0,0,0,0|2,0,1]=3 42 B9R1.1 c1cc(ccc1CCl)Br AS00646 [0,0,0,0,0,0|2,0,1]=3 43 B9R1.1 c1cc(ccc1CCl)F AS00660 [0,0,0,0,0,0|2,0,1]=3 44 B9R1.1 c1cc(ccc1CCl)F AS02054 [0,0,0,0,0,0|2,0,1]=3 45 B9R1.1 c1cc(ccc1CN)Br AS02268 [0,0,0,0,0,0|2,0,1]=3 46 B9R1.1 c1cc(ccc1CN)Br AS03103 [0,0,0,0,0,0|2,0,1]=3 47 B9R1.1 c1cc(ccc1CN)Br AS06970 [0,0,0,0,0,0|2,0,1]=3 48 B9R1.1 c1cc(ccc1CN)Cl AS00379 [0,0,0,0,0,0|2,0,1]=3 49 B9R1.1 c1cc(ccc1CN)Cl AS02689 [0,0,0,0,0,0|2,0,1]=3 50 B9R1.1 c1cc(ccc1CN)F AS00834 [0,0,0,0,0,0|2,0,1]=3 51 B9R1.1 c1cc(ccc1CN)F AS01938 [0,0,0,0,0,0|2,0,1]=3 52 B9R1.1 c1cc(ccc1CN)I AS02223 [0,0,0,0,0,0|2,0,1]=3 53 B9R1.1 c1cc(ccc1CN)I AS02301 [0,0,0,0,0,0|2,0,1]=3 54 B9R1.1 c1cc(ccc1CO)Br AS03954 [0,0,0,0,0,0|2,0,1]=3 55 B9R1.1 c1cc(ccc1CO)Cl AS03965 [0,0,0,0,0,0|2,0,1]=3 56 B9R1.1 c1cc(ccc1CO)F AS03978 [0,0,0,0,0,0|2,0,1]=3 57 B9R1.1 c1cc(ccc1CO)I AS00604 [0,0,0,0,0,0|2,0,1]=3 58 B9R1.1 c1cc(ccc1CO)I AS03987 [0,0,0,0,0,0|2,0,1]=3 59 B9R1.1 c1cc(ccc1CO)N AS00548 [0,0,0,0,0,0|2,0,1]=3 60 B9R1.1 c1cc(ccc1CO)O AS00576 [0,0,0,0,0,0|1,0,1]=2 61 B9R1.1 c1cc(ccc1NN)Br AS02015 [0,0,0,0,0,0|3,0,0]=3 62 B9R1.1 c1cc(ccc1NN)Cl AS04469 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.1 c1cc(ccc1NN)F AS02961 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.1 c1cc(ccc1OS)I AS02948 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.1 c1cc(ncc1Br)C#N AS04632 [0,0,0,0,0,0|3,0,1]=4 66 B9R1.1 c1cc(ncc1C#N)Br AS04910 [0,0,0,0,0,0|3,0,1]=4 67 B9R1.1 c1cc(ncc1C=O)Br AS06180 [0,0,0,0,0,0|3,0,0]=3 68 B8R1.2 COc1ccccc1 AS04310 [1,0,0,0,0,0|1,0,1]=3 69 B8R1.2 COc1ccccc1 AS06877 [1,0,0,0,0,0|1,0,1]=3 70 B8R1.2 COc1ccccn1 AS01009 [1,0,0,0,0,0|2,0,1]=4 71 B8R1.2 COc1cccnc1 AS01010 [1,0,0,0,0,0|2,0,1]=4 72 B8R1.2 COc1ccncc1 AS04953 [1,0,0,0,0,0|2,0,1]=4 73 B8R1.2 CSc1ccccc1 AS04279 [1,0,0,0,0,0|1,0,1]=3 74 B8R1.2 c1ccc(cc1)C#N AS02370 [1,0,0,0,0,0|1,0,1]=3 75 B8R1.2 c1ccc(cc1)CBr AS02048 [1,0,0,0,0,0|1,0,1]=3 76 B8R1.2 c1ccc(cc1)CO AS04466 [1,0,0,0,0,0|1,0,1]=3 77 B8R1.2 c1ccc(cc1)N=O AS01444 [1,0,0,0,0,0|2,0,0]=3 78 B8R1.3 Cc1ccc(cc1)C AS00254 [1,0,0,0,0,0|1,0,1]=3 79 B8R1.3 Cc1ccc(cc1)F AS00305 [1,0,0,0,0,0|1,0,1]=3 80 B8R1.3 Cc1ccc(cc1)I AS02294 [1,0,0,0,0,0|1,0,1]=3 81 B8R1.3 Cc1ccc(cc1)N AS06931 [1,0,0,0,0,0|1,0,1]=3 82 B8R1.3 Cc1ccc(cn1)F AS04876 [1,0,0,0,0,0|2,0,1]=4 83 B8R1.3 Cc1ccc(nc1)Br AS04906 [1,0,0,0,0,0|2,0,1]=4 84 B8R1.3 Cc1ccc(nc1)F AS04850 [1,0,0,0,0,0|2,0,1]=4 85 B8R1.3 c1cc(ccc1Br)Br AS05688 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.3 c1cc(ccc1Br)I AS03362 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.3 c1cc(ccc1Cl)Br AS06959 [1,0,0,0,0,0|2,0,0]=3 88 B8R1.3 c1cc(ccc1Cl)Cl AS06944 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.3 c1cc(ccc1Cl)I AS03063 [1,0,0,0,0,0|2,0,0]=3 90 B8R1.3 c1cc(ccc1F)Br AS00255 [1,0,0,0,0,0|2,0,0]=3 91 B8R1.3 c1cc(ccc1F)Cl AS02729 [1,0,0,0,0,0|2,0,0]=3 92 B8R1.3 c1cc(ccc1F)F AS00245 [1,0,0,0,0,0|2,0,0]=3 93 B8R1.3 c1cc(ccc1F)I AS02180 [1,0,0,0,0,0|2,0,0]=3 94 B8R1.3 c1cc(ccc1F)S AS04129 [1,0,0,0,0,0|1,1,0]=3 95 B8R1.3 c1cc(ccc1I)I AS00081 [1,0,0,0,0,0|2,0,0]=3 96 B8R1.3 c1cc(ccc1N)Br AS00914 [1,0,0,0,0,0|2,0,0]=3 97 B8R1.3 c1cc(ccc1N)Cl AS02971 [1,0,0,0,0,0|2,0,0]=3 98 B8R1.3 c1cc(ccc1N)Cl AS06958 [1,0,0,0,0,0|2,0,0]=3 99 B8R1.3 c1cc(ccc1N)F AS00828 [1,0,0,0,0,0|2,0,0]=3 100 B8R1.3 c1cc(ccc1N)F AS01509 [1,0,0,0,0,0|2,0,0]=3 101 B8R1.3 c1cc(ccc1N)I AS00432 [1,0,0,0,0,0|2,0,0]=3 102 B8R1.3 c1cc(ccc1N)N AS00466 [1,0,0,0,0,0|2,0,0]=3 103 B8R1.3 c1cc(ccc1N)O AS04549 [1,0,0,0,0,0|1,0,0]=2 104 B8R1.3 c1cc(ccc1N)S AS04134 [1,0,0,0,0,0|1,1,0]=3 105 B8R1.3 c1cc(ccc1O)Cl AS00215 [1,0,0,0,0,0|1,0,0]=2 106 B8R1.3 c1cc(ccc1O)F AS00216 [1,0,0,0,0,0|1,0,0]=2 107 B8R1.3 c1cc(ccc1O)O AS00174 [1,0,0,0,0,0|1,0,0]=2 108 B8R1.3 c1cc(ccc1S)Cl AS04130 [1,0,0,0,0,0|1,1,0]=3 109 B8R1.3 c1cc(ncc1Br)Cl AS04922 [1,0,0,0,0,0|3,0,0]=4 110 B8R1.3 c1cc(ncc1Br)F AS04801 [1,0,0,0,0,0|3,0,0]=4 111 B8R1.3 c1cc(ncc1Br)I AS04928 [1,0,0,0,0,0|3,0,0]=4 112 B8R1.3 c1cc(ncc1Br)N AS04888 [1,0,0,0,0,0|3,0,0]=4 113 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [1,0,0,0,0,0|3,0,0]=4 114 B8R1.3 c1cc(ncc1Cl)F AS04821 [1,0,0,0,0,0|3,0,0]=4 115 B8R1.3 c1cc(ncc1Cl)N AS04770 [1,0,0,0,0,0|3,0,0]=4 116 B8R1.3 c1cc(ncc1Cl)O AS04939 [1,0,0,0,0,0|2,0,0]=3 117 B8R1.3 c1cc(ncc1F)Br AS04782 [1,0,0,0,0,0|3,0,0]=4 118 B8R1.3 c1cc(ncc1F)F AS04727 [1,0,0,0,0,0|3,0,0]=4 119 B8R1.3 c1cc(ncc1F)N AS04771 [1,0,0,0,0,0|3,0,0]=4 120 B8R1.3 c1cc(ncc1F)O AS04872 [1,0,0,0,0,0|2,0,0]=3 121 B8R1.3 c1cc(ncc1I)F AS04841 [1,0,0,0,0,0|3,0,0]=4 122 B8R1.3 c1cc(ncc1I)N AS02984 [1,0,0,0,0,0|3,0,0]=4 123 B8R1.3 c1cc(ncc1N)Cl AS04902 [1,0,0,0,0,0|3,0,0]=4 124 B8R1.3 c1cc(ncc1N)F AS04778 [1,0,0,0,0,0|3,0,0]=4 125 B8R1.3 c1cc(ncc1N)N AS04945 [1,0,0,0,0,0|3,0,0]=4 126 B8R1.3 c1cc(ncc1O)F AS04834 [1,0,0,0,0,0|2,0,0]=3 127 B10R1.1 CCOc1ccc(cc1)Br AS03448 [0,1,0,0,0,0|1,0,2]=4 128 B10R1.1 CCOc1ccc(cc1)F AS02638 [0,1,0,0,0,0|1,0,2]=4 129 B10R1.1 CCOc1ccc(cc1)I AS02282 [0,1,0,0,0,0|1,0,2]=4 130 B10R1.1 Cc1ccc(cc1)CC#N AS01373 [0,1,0,0,0,0|1,0,2]=4 131 B10R1.1 Cc1ccc(cc1)CC#N AS06119 [0,1,0,0,0,0|1,0,2]=4 132 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [0,1,0,0,0,0|1,0,2]=4 133 B10R1.1 Cc1ccc(cc1)CCN AS00487 [0,1,0,0,0,0|1,0,2]=4 134 B10R1.1 Cc1ccc(cc1)CCO AS00590 [0,1,0,0,0,0|1,0,2]=4 135 B10R1.1 c1cc(ccc1C=NO)Br AS00917 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.1 c1cc(ccc1C=NO)F AS00303 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.1 c1cc(ccc1CC#N)Br AS01643 [0,1,0,0,0,0|1,0,2]=4 138 B10R1.1 c1cc(ccc1CC#N)Cl AS01379 [0,1,0,0,0,0|1,0,2]=4 139 B10R1.1 c1cc(ccc1CC#N)F AS01640 [0,1,0,0,0,0|1,0,2]=4 140 B10R1.1 c1cc(ccc1CC#N)I AS01647 [0,1,0,0,0,0|1,0,2]=4 141 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [0,1,0,0,0,0|1,0,2]=4 142 B10R1.1 c1cc(ccc1CCBr)F AS00126 [0,1,0,0,0,0|1,0,2]=4 143 B10R1.1 c1cc(ccc1CCBr)F AS01797 [0,1,0,0,0,0|1,0,2]=4 144 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [0,1,0,0,0,0|1,0,2]=4 145 B10R1.1 c1cc(ccc1CCN)Br AS06806 [0,1,0,0,0,0|1,0,2]=4 146 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [0,1,0,0,0,0|1,0,2]=4 147 B10R1.1 c1cc(ccc1CCN)F AS00493 [0,1,0,0,0,0|1,0,2]=4 148 B10R1.1 c1cc(ccc1CCO)Br AS00568 [0,1,0,0,0,0|1,0,2]=4 149 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [0,1,0,0,0,0|1,0,2]=4 150 B10R1.1 c1cc(ccc1CCO)F AS00589 [0,1,0,0,0,0|1,0,2]=4 151 B10R1.1 c1cc(ccc1CCO)N AS00567 [0,1,0,0,0,0|1,0,2]=4 152 B10R1.1 c1cc(ccc1CCO)O AS00553 [0,1,0,0,0,0|0,0,2]=3 153 B10R1.1 c1cc(ccc1N=C=O)Br AS04397 [0,1,0,0,0,0|2,0,1]=4 154 B10R1.1 c1cc(ccc1N=C=O)F AS00722 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.1 c1cc(ccc1N=C=S)Cl AS04385 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.1 c1cc(ccc1N=C=S)F AS00359 [0,1,0,0,0,0|2,0,1]=4 157 B10R1.3 CCc1ccc(cc1)OC AS02574 [0,1,0,0,0,0|0,0,2]=3 158 B10R1.3 COc1ccc(cc1)C#N AS02378 [0,1,0,0,0,0|1,0,1]=3 159 B10R1.3 COc1ccc(cc1)C=O AS02988 [0,1,0,0,0,0|1,0,0]=2 160 B10R1.3 COc1ccc(cc1)CCl AS02049 [0,1,0,0,0,0|1,0,1]=3 161 B10R1.3 COc1ccc(cc1)CN AS00371 [0,1,0,0,0,0|1,0,1]=3 162 B10R1.3 COc1ccc(cc1)OC AS06962 [0,1,0,0,0,0|1,0,1]=3 163 B10R1.3 COc1ccc(cc1)SC AS04296 [0,1,0,0,0,0|1,0,1]=3 164 B10R1.3 CSc1ccc(cc1)CN AS06024 [0,1,0,0,0,0|1,1,1]=4 165 B10R1.3 c1cc(ccc1C=O)C#N AS02996 [0,1,0,0,0,0|2,0,0]=3 166 B10R1.3 c1cc(ccc1CBr)C#N AS00649 [0,1,0,0,0,0|2,0,1]=4 167 B10R1.3 c1cc(ccc1CBr)CBr AS00653 [0,1,0,0,0,0|2,0,1]=4 168 B10R1.3 c1cc(ccc1CN)C#N AS05785 [0,1,0,0,0,0|2,0,1]=4 169 B10R1.3 c1cc(ccc1CO)CBr AS05951 [0,1,0,0,0,0|1,0,1]=3 170 B10R1.3 c1cc(ccc1CO)CO AS00556 [0,1,0,0,0,0|1,0,1]=3 171 B10R1.13 B(c1ccc(cc1)C)(O)O AS07183 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.13 B(c1ccc(cc1)Cl)(O)O AS04983 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.13 B(c1ccc(cc1)F)(O)O AS04986 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.13 B(c1ccc(cc1)O)(O)O AS06272 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.13 B(c1ccc(cc1)S)(O)O AS06762 [0,1,0,0,0,0|2,1,0]=4 176 B10R1.13 CC(=C)c1ccc(cc1)O AS06541 [0,1,0,0,0,0|0,0,0]=1 177 B10R1.13 CC(=O)c1ccc(cc1)Br AS01178 [0,1,0,0,0,0|1,0,1]=3 178 B10R1.13 CC(=O)c1ccc(cc1)Cl AS05257 [0,1,0,0,0,0|1,0,1]=3 179 B10R1.13 CC(=O)c1ccc(cc1)F AS01160 [0,1,0,0,0,0|1,0,1]=3 180 B10R1.13 CC(=O)c1ccc(cc1)I AS04012 [0,1,0,0,0,0|1,0,1]=3 181 B10R1.13 CC(=O)c1ccc(cc1)N AS01150 [0,1,0,0,0,0|1,0,1]=3 182 B10R1.13 CC(=O)c1ccc(cc1)O AS01158 [0,1,0,0,0,0|0,0,1]=2 183 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,1,0,0,0,0|2,0,1]=4 184 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,1,0,0,0,0|1,0,1]=3 185 B10R1.13 CC(C)c1ccc(cc1)I AS02289 [0,1,0,0,0,0|1,0,2]=4 186 B10R1.13 CC(C)c1ccc(cc1)S AS00078 [0,1,0,0,0,0|0,1,2]=4 187 B10R1.13 CC(c1ccc(cc1)Br)N AS03462 [0,1,0,0,0,0|1,0,2]=4 188 B10R1.13 CC(c1ccc(cc1)Br)O AS03465 [0,1,0,0,0,0|1,0,2]=4 189 B10R1.13 CC(c1ccc(cc1)Cl)Br AS06898 [0,1,0,0,0,0|1,0,2]=4 190 B10R1.13 CC(c1ccc(cc1)Cl)N AS02836 [0,1,0,0,0,0|1,0,2]=4 191 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [0,1,0,0,0,0|1,0,2]=4 192 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [0,1,0,0,0,0|1,0,2]=4 193 B10R1.13 CN(C)c1ccc(cc1)Cl AS05322 [0,1,0,0,0,0|2,0,1]=4 194 B10R1.13 CN(C)c1ccc(cc1)O AS06531 [0,1,0,0,0,0|1,0,1]=3 195 B10R1.13 Cc1ccc(cc1)C(=O)C AS01165 [0,1,0,0,0,0|1,0,1]=3 196 B10R1.13 Cc1ccc(cc1)C(=O)Cl AS00020 [0,1,0,0,0,0|2,0,0]=3 197 B10R1.13 Cc1ccc(cc1)C(=O)N AS05901 [0,1,0,0,0,0|2,0,0]=3 198 B10R1.13 Cc1ccc(cc1)C(=O)O AS00864 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.13 Cc1ccc(cc1)[N+](=O)[O-] AS01013 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.13 c1cc(ccc1C(=N)N)N AS01794 [0,1,0,0,0,0|2,0,0]=3 201 B10R1.13 c1cc(ccc1C(=N)N)N AS01988 [0,1,0,0,0,0|2,0,0]=3 202 B10R1.13 c1cc(ccc1C(=O)Cl)I AS00009 [0,1,0,0,0,0|2,0,0]=3 203 B10R1.13 c1cc(ccc1C(=O)N)Br AS00920 [0,1,0,0,0,0|2,0,0]=3 204 B10R1.13 c1cc(ccc1C(=O)N)Cl AS02680 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.13 c1cc(ccc1C(=O)N)F AS00831 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.13 c1cc(ccc1C(=O)O)Br AS00815 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.13 c1cc(ccc1C(=O)O)Cl AS00806 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.13 c1cc(ccc1C(=O)O)F AS00747 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.13 c1cc(ccc1C(=O)O)I AS02218 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.13 c1cc(ccc1C(=O)O)N AS00762 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.13 c1cc(ccc1C(=O)[O-])F AS00778 [0,1,0,0,0,0|2,0,0]=3 212 B10R1.13 c1cc(ccc1C(=S)N)Cl AS06630 [0,1,0,0,0,0|2,0,0]=3 213 B10R1.13 c1cc(ccc1C(F)F)Br AS05635 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] AS00442 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.13 c1cc(ccc1[N+](=O)[O-])Br AS05660 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.13 c1cc(ccc1[N+](=O)[O-])F AS00083 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.13 c1cc(ccc1[N+](=O)[O-])O AS00220 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.13 c1cc(ncc1C(=O)O)F AS04828 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.13 c1cc(ncc1Cl)C(=O)O AS04938 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.13 c1cc(ncc1F)C(=O)O AS04870 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.25 C=Cc1ccc(cc1F)F AS03796 [0,1,0,0,0,0|1,0,0]=2 222 B10R1.25 COc1ccc(cc1Br)Br AS03501 [0,1,0,0,0,0|2,0,1]=4 223 B10R1.25 COc1ccc(cc1Br)Cl AS03118 [0,1,0,0,0,0|2,0,1]=4 224 B10R1.25 COc1ccc(cc1Br)F AS01624 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.25 COc1ccc(cc1Br)I AS03354 [0,1,0,0,0,0|2,0,1]=4 226 B10R1.25 COc1ccc(cc1Br)N AS03267 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.25 COc1ccc(cc1Br)N AS03385 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.25 COc1ccc(cc1Cl)Br AS03121 [0,1,0,0,0,0|2,0,1]=4 229 B10R1.25 COc1ccc(cc1Cl)Cl AS02854 [0,1,0,0,0,0|2,0,1]=4 230 B10R1.25 COc1ccc(cc1Cl)F AS02722 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.25 COc1ccc(cc1Cl)I AS03054 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.25 COc1ccc(cc1Cl)N AS02789 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.25 COc1ccc(cc1F)Br AS03274 [0,1,0,0,0,0|2,0,1]=4 234 B10R1.25 COc1ccc(cc1F)Cl AS02726 [0,1,0,0,0,0|2,0,1]=4 235 B10R1.25 COc1ccc(cc1F)F AS02507 [0,1,0,0,0,0|2,0,1]=4 236 B10R1.25 COc1ccc(cc1F)N AS03264 [0,1,0,0,0,0|2,0,1]=4 237 B10R1.25 COc1ccc(cc1F)N AS04085 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.25 COc1ccc(cc1F)O AS04432 [0,1,0,0,0,0|1,0,1]=3 239 B10R1.25 COc1ccc(cc1I)Br AS03356 [0,1,0,0,0,0|2,0,1]=4 240 B10R1.25 COc1ccc(cc1I)Cl AS03057 [0,1,0,0,0,0|2,0,1]=4 241 B10R1.25 COc1ccc(cc1I)I AS02516 [0,1,0,0,0,0|2,0,1]=4 242 B10R1.25 COc1ccc(cc1I)N AS02234 [0,1,0,0,0,0|2,0,1]=4 243 B10R1.25 COc1ccc(cc1I)N AS02235 [0,1,0,0,0,0|2,0,1]=4 244 B10R1.25 COc1ccc(cc1N)F AS04087 [0,1,0,0,0,0|2,0,1]=4 245 B10R1.25 COc1ccc(cc1N)I AS05428 [0,1,0,0,0,0|2,0,1]=4 246 B10R1.25 COc1ccc(cc1N)N AS04137 [0,1,0,0,0,0|2,0,1]=4 247 B10R1.25 COc1ccc(cc1N)N AS04209 [0,1,0,0,0,0|2,0,1]=4 248 B10R1.25 COc1ccc(cc1O)F AS00192 [0,1,0,0,0,0|2,0,1]=4 249 B10R1.25 CSc1ccc(cc1Br)Cl AS04512 [0,1,0,0,0,0|2,0,1]=4 250 B10R1.25 CSc1ccc(cc1F)F AS04305 [0,1,0,0,0,0|2,0,1]=4 251 B10R1.25 Cc1cc(ccc1C#N)Br AS01631 [0,1,0,0,0,0|2,0,1]=4 252 B10R1.25 Cc1cc(ccc1C#N)F AS03745 [0,1,0,0,0,0|2,0,1]=4 253 B10R1.25 Cc1cc(ccc1C#N)O AS06275 [0,1,0,0,0,0|1,0,1]=3 254 B10R1.25 Cc1cc(ccc1C=O)Br AS03007 [0,1,0,0,0,0|2,0,0]=3 255 B10R1.25 Cc1cc(ccc1C=O)Cl AS06678 [0,1,0,0,0,0|2,0,0]=3 256 B10R1.25 Cc1cc(ccc1C=O)F AS01471 [0,1,0,0,0,0|2,0,0]=3 257 B10R1.25 Cc1cc(ccc1C=O)O AS05602 [0,1,0,0,0,0|1,0,0]=2 258 B10R1.25 Cc1cc(ccc1CN)Br AS06015 [0,1,0,0,0,0|2,0,1]=4 259 B10R1.25 Cc1cc(ccc1CN)F AS00849 [0,1,0,0,0,0|2,0,1]=4 260 B10R1.25 Cc1cc(ccc1CN)O AS06507 [0,1,0,0,0,0|1,0,1]=3 261 B10R1.25 Cc1cc(ccc1CO)Br AS05952 [0,1,0,0,0,0|2,0,1]=4 262 B10R1.25 Cc1cc(ccc1CO)F AS00602 [0,1,0,0,0,0|2,0,1]=4 263 B10R1.25 Cc1cc(ccc1OC)Br AS03407 [0,1,0,0,0,0|2,0,1]=4 264 B10R1.25 Cc1cc(ccc1OC)Cl AS02809 [0,1,0,0,0,0|2,0,1]=4 265 B10R1.25 Cc1cc(ccc1OC)F AS04149 [0,1,0,0,0,0|2,0,1]=4 266 B10R1.25 Cc1cc(ccc1OC)I AS02251 [0,1,0,0,0,0|2,0,1]=4 267 B10R1.25 Cc1cc(ccc1OC)N AS00453 [0,1,0,0,0,0|2,0,1]=4 268 B10R1.25 Cc1ccc(c(c1)Br)C=O AS06927 [0,1,0,0,0,0|2,0,0]=3 269 B10R1.25 Cc1ccc(c(c1)Br)OC AS03405 [0,1,0,0,0,0|2,0,1]=4 270 B10R1.25 Cc1ccc(c(c1)C)CCl AS00710 [0,1,0,0,0,0|2,0,1]=4 271 B10R1.25 Cc1ccc(c(c1)C)NN AS03280 [0,1,0,0,0,0|3,0,0]=4 272 B10R1.25 Cc1ccc(c(c1)C)OC AS02541 [0,1,0,0,0,0|2,0,1]=4 273 B10R1.25 Cc1ccc(c(c1)Cl)C#N AS01650 [0,1,0,0,0,0|2,0,1]=4 274 B10R1.25 Cc1ccc(c(c1)Cl)C=O AS06929 [0,1,0,0,0,0|2,0,0]=3 275 B10R1.25 Cc1ccc(c(c1)Cl)NN AS01996 [0,1,0,0,0,0|3,0,0]=4 276 B10R1.25 Cc1ccc(c(c1)Cl)OC AS02799 [0,1,0,0,0,0|2,0,1]=4 277 B10R1.25 Cc1ccc(c(c1)F)C#N AS01680 [0,1,0,0,0,0|2,0,1]=4 278 B10R1.25 Cc1ccc(c(c1)F)C=O AS01466 [0,1,0,0,0,0|2,0,0]=3 279 B10R1.25 Cc1ccc(c(c1)I)OC AS02092 [0,1,0,0,0,0|2,0,1]=4 280 B10R1.25 Cc1ccc(c(c1)N)C#N AS01609 [0,1,0,0,0,0|2,0,1]=4 281 B10R1.25 c1cc(c(cc1Br)Br)C=O AS03856 [0,1,0,0,0,0|2,0,0]=3 282 B10R1.25 c1cc(c(cc1Br)Br)CO AS03971 [0,1,0,0,0,0|2,0,1]=4 283 B10R1.25 c1cc(c(cc1Br)Cl)C#N AS02396 [0,1,0,0,0,0|2,0,1]=4 284 B10R1.25 c1cc(c(cc1Br)Cl)C=O AS02873 [0,1,0,0,0,0|2,0,0]=3 285 B10R1.25 c1cc(c(cc1Br)F)C=O AS03801 [0,1,0,0,0,0|2,0,0]=3 286 B10R1.25 c1cc(c(cc1Br)F)CBr AS00654 [0,1,0,0,0,0|2,0,1]=4 287 B10R1.25 c1cc(c(cc1Br)F)CN AS01929 [0,1,0,0,0,0|2,0,1]=4 288 B10R1.25 c1cc(c(cc1Br)F)CN AS03304 [0,1,0,0,0,0|2,0,1]=4 289 B10R1.25 c1cc(c(cc1Br)F)CO AS03958 [0,1,0,0,0,0|2,0,1]=4 290 B10R1.25 c1cc(c(cc1Br)F)NN AS01992 [0,1,0,0,0,0|3,0,0]=4 291 B10R1.25 c1cc(c(cc1Br)N)C=O AS06833 [0,1,0,0,0,0|2,0,0]=3 292 B10R1.25 c1cc(c(cc1Br)N)CO AS01411 [0,1,0,0,0,0|2,0,1]=4 293 B10R1.25 c1cc(c(cc1Br)O)C#N AS03703 [0,1,0,0,0,0|2,0,1]=4 294 B10R1.25 c1cc(c(cc1Br)O)C=O AS04630 [0,1,0,0,0,0|2,0,0]=3 295 B10R1.25 c1cc(c(cc1Br)O)CO AS05949 [0,1,0,0,0,0|2,0,1]=4 296 B10R1.25 c1cc(c(cc1Cl)Br)C=O AS03789 [0,1,0,0,0,0|2,0,0]=3 297 B10R1.25 c1cc(c(cc1Cl)Br)CBr AS06264 [0,1,0,0,0,0|2,0,1]=4 298 B10R1.25 c1cc(c(cc1Cl)Cl)C#N AS02650 [0,1,0,0,0,0|2,0,1]=4 299 B10R1.25 c1cc(c(cc1Cl)Cl)CBr AS00003 [0,1,0,0,0,0|2,0,1]=4 300 B10R1.25 c1cc(c(cc1Cl)Cl)CCl AS02062 [0,1,0,0,0,0|2,0,1]=4 301 B10R1.25 c1cc(c(cc1Cl)Cl)CO AS00605 [0,1,0,0,0,0|2,0,1]=4 302 B10R1.25 c1cc(c(cc1Cl)F)C#N AS03716 [0,1,0,0,0,0|2,0,1]=4 303 B10R1.25 c1cc(c(cc1Cl)F)C=O AS03836 [0,1,0,0,0,0|2,0,0]=3 304 B10R1.25 c1cc(c(cc1Cl)F)CCl AS00670 [0,1,0,0,0,0|2,0,1]=4 305 B10R1.25 c1cc(c(cc1Cl)F)CN AS02308 [0,1,0,0,0,0|2,0,1]=4 306 B10R1.25 c1cc(c(cc1Cl)F)CN AS02739 [0,1,0,0,0,0|2,0,1]=4 307 B10R1.25 c1cc(c(cc1Cl)F)CO AS00595 [0,1,0,0,0,0|2,0,1]=4 308 B10R1.25 c1cc(c(cc1Cl)F)NN AS02975 [0,1,0,0,0,0|3,0,0]=4 309 B10R1.25 c1cc(c(cc1Cl)O)C#N AS05818 [0,1,0,0,0,0|2,0,1]=4 310 B10R1.25 c1cc(c(cc1Cl)O)C=O AS05554 [0,1,0,0,0,0|2,0,0]=3 311 B10R1.25 c1cc(c(cc1F)Br)C#N AS02666 [0,1,0,0,0,0|2,0,1]=4 312 B10R1.25 c1cc(c(cc1F)Br)C=O AS03017 [0,1,0,0,0,0|2,0,0]=3 313 B10R1.25 c1cc(c(cc1F)Br)CBr AS00655 [0,1,0,0,0,0|2,0,1]=4 314 B10R1.25 c1cc(c(cc1F)Br)CN AS03302 [0,1,0,0,0,0|2,0,1]=4 315 B10R1.25 c1cc(c(cc1F)Br)CO AS03955 [0,1,0,0,0,0|2,0,1]=4 316 B10R1.25 c1cc(c(cc1F)Cl)C#N AS01639 [0,1,0,0,0,0|2,0,1]=4 317 B10R1.25 c1cc(c(cc1F)Cl)C#N AS02662 [0,1,0,0,0,0|2,0,1]=4 318 B10R1.25 c1cc(c(cc1F)Cl)C=O AS03023 [0,1,0,0,0,0|2,0,0]=3 319 B10R1.25 c1cc(c(cc1F)Cl)CBr AS00679 [0,1,0,0,0,0|2,0,1]=4 320 B10R1.25 c1cc(c(cc1F)Cl)CCl AS00671 [0,1,0,0,0,0|2,0,1]=4 321 B10R1.25 c1cc(c(cc1F)Cl)CN AS02307 [0,1,0,0,0,0|2,0,1]=4 322 B10R1.25 c1cc(c(cc1F)Cl)CN AS02737 [0,1,0,0,0,0|2,0,1]=4 323 B10R1.25 c1cc(c(cc1F)Cl)CO AS03966 [0,1,0,0,0,0|2,0,1]=4 324 B10R1.25 c1cc(c(cc1F)Cl)NN AS01994 [0,1,0,0,0,0|3,0,0]=4 325 B10R1.25 c1cc(c(cc1F)F)C#N AS01658 [0,1,0,0,0,0|2,0,1]=4 326 B10R1.25 c1cc(c(cc1F)F)C=O AS01451 [0,1,0,0,0,0|2,0,0]=3 327 B10R1.25 c1cc(c(cc1F)F)CBr AS00700 [0,1,0,0,0,0|2,0,1]=4 328 B10R1.25 c1cc(c(cc1F)F)CCl AS00685 [0,1,0,0,0,0|2,0,1]=4 329 B10R1.25 c1cc(c(cc1F)F)CN AS01933 [0,1,0,0,0,0|2,0,1]=4 330 B10R1.25 c1cc(c(cc1F)F)CO AS00610 [0,1,0,0,0,0|2,0,1]=4 331 B10R1.25 c1cc(c(cc1F)F)NN AS02000 [0,1,0,0,0,0|3,0,0]=4 332 B10R1.25 c1cc(c(cc1F)N)C#N AS01602 [0,1,0,0,0,0|2,0,1]=4 333 B10R1.25 c1cc(c(cc1F)N)C=O AS05525 [0,1,0,0,0,0|2,0,0]=3 334 B10R1.25 c1cc(c(cc1F)O)C=O AS03068 [0,1,0,0,0,0|2,0,0]=3 335 B10R1.25 c1cc(c(cc1I)F)C#N AS02671 [0,1,0,0,0,0|2,0,1]=4 336 B10R1.25 c1cc(c(cc1I)F)C=O AS03883 [0,1,0,0,0,0|2,0,0]=3 337 B10R1.25 c1cc(c(cc1N)Cl)C#N AS01598 [0,1,0,0,0,0|2,0,1]=4 338 B10R1.25 c1cc(c(cc1N)F)C#N AS01606 [0,1,0,0,0,0|2,0,1]=4 339 B10R1.25 c1cc(c(cc1N)O)C#N AS06282 [0,1,0,0,0,0|2,0,1]=4 340 B10R1.25 c1cc(c(cc1O)Br)C=O AS06475 [0,1,0,0,0,0|1,0,0]=2 341 B10R1.25 c1cc(c(cc1O)Cl)C#N AS05814 [0,1,0,0,0,0|1,0,1]=3 342 B10R1.25 c1cc(c(cc1O)Cl)C=O AS02997 [0,1,0,0,0,0|1,0,0]=2 343 B10R1.25 c1cc(c(cc1O)F)C#N AS03737 [0,1,0,0,0,0|1,0,1]=3 344 B10R1.25 c1cc(c(cc1O)F)C=O AS03069 [0,1,0,0,0,0|1,0,0]=2 345 B10R1.25 c1cc(c(cc1O)I)C=O AS06474 [0,1,0,0,0,0|1,0,0]=2 346 B10R1.25 c1cc(c(cc1O)O)C#N AS07229 [0,1,0,0,0,0|1,0,1]=3 347 B10R1.25 c1cc(c(cc1O)O)C=O AS02995 [0,1,0,0,0,0|1,0,0]=2 348 B10R1.176 C=Cc1ccc(c(c1)F)F AS03797 [0,1,0,0,0,0|1,0,0]=2 349 B10R1.176 CCc1ccc(c(c1)Br)Br AS03544 [0,1,0,0,0,0|1,0,2]=4 350 B10R1.176 CCc1ccc(c(c1)Br)Cl AS03141 [0,1,0,0,0,0|1,0,2]=4 351 B10R1.176 CCc1ccc(c(c1)Br)I AS03255 [0,1,0,0,0,0|1,0,2]=4 352 B10R1.176 CCc1ccc(c(c1)Br)N AS03249 [0,1,0,0,0,0|1,0,2]=4 353 B10R1.176 CCc1ccc(c(c1)Br)N AS03250 [0,1,0,0,0,0|1,0,2]=4 354 B10R1.176 CCc1ccc(c(c1)N)O AS06527 [0,1,0,0,0,0|0,0,2]=3 355 B10R1.176 CCc1ccc(c(c1)O)Cl AS02714 [0,1,0,0,0,0|1,0,2]=4 356 B10R1.176 CCc1ccc(c(c1)O)O AS06481 [0,1,0,0,0,0|0,0,2]=3 357 B10R1.176 CNc1ccc(c(c1)Cl)Cl AS05344 [0,1,0,0,0,0|2,0,1]=4 358 B10R1.176 COc1ccc(c(c1)Br)Br AS03504 [0,1,0,0,0,0|2,0,1]=4 359 B10R1.176 COc1ccc(c(c1)Br)Cl AS01807 [0,1,0,0,0,0|2,0,1]=4 360 B10R1.176 COc1ccc(c(c1)Br)F AS05445 [0,1,0,0,0,0|2,0,1]=4 361 B10R1.176 COc1ccc(c(c1)Br)N AS04059 [0,1,0,0,0,0|2,0,1]=4 362 B10R1.176 COc1ccc(c(c1)Br)O AS03403 [0,1,0,0,0,0|1,0,1]=3 363 B10R1.176 COc1ccc(c(c1)Cl)Br AS02951 [0,1,0,0,0,0|2,0,1]=4 364 B10R1.176 COc1ccc(c(c1)Cl)Cl AS02857 [0,1,0,0,0,0|2,0,1]=4 365 B10R1.176 COc1ccc(c(c1)Cl)F AS02724 [0,1,0,0,0,0|2,0,1]=4 366 B10R1.176 COc1ccc(c(c1)Cl)I AS06281 [0,1,0,0,0,0|2,0,1]=4 367 B10R1.176 COc1ccc(c(c1)Cl)N AS05414 [0,1,0,0,0,0|2,0,1]=4 368 B10R1.176 COc1ccc(c(c1)Cl)O AS00233 [0,1,0,0,0,0|1,0,1]=3 369 B10R1.176 COc1ccc(c(c1)F)Br AS01368 [0,1,0,0,0,0|2,0,1]=4 370 B10R1.176 COc1ccc(c(c1)F)Br AS04321 [0,1,0,0,0,0|2,0,1]=4 371 B10R1.176 COc1ccc(c(c1)F)Cl AS02727 [0,1,0,0,0,0|2,0,1]=4 372 B10R1.176 COc1ccc(c(c1)F)F AS02508 [0,1,0,0,0,0|2,0,1]=4 373 B10R1.176 COc1ccc(c(c1)F)O AS02618 [0,1,0,0,0,0|1,0,1]=3 374 B10R1.176 COc1ccc(c(c1)I)Br AS03357 [0,1,0,0,0,0|2,0,1]=4 375 B10R1.176 COc1ccc(c(c1)I)Cl AS03058 [0,1,0,0,0,0|2,0,1]=4 376 B10R1.176 COc1ccc(c(c1)I)N AS05431 [0,1,0,0,0,0|2,0,1]=4 377 B10R1.176 COc1ccc(c(c1)N)Br AS03386 [0,1,0,0,0,0|2,0,1]=4 378 B10R1.176 COc1ccc(c(c1)N)Br AS03666 [0,1,0,0,0,0|2,0,1]=4 379 B10R1.176 COc1ccc(c(c1)N)Br AS04115 [0,1,0,0,0,0|2,0,1]=4 380 B10R1.176 COc1ccc(c(c1)N)Cl AS02788 [0,1,0,0,0,0|2,0,1]=4 381 B10R1.176 COc1ccc(c(c1)N)Cl AS04068 [0,1,0,0,0,0|2,0,1]=4 382 B10R1.176 COc1ccc(c(c1)N)F AS05424 [0,1,0,0,0,0|2,0,1]=4 383 B10R1.176 COc1ccc(c(c1)N)N AS05476 [0,1,0,0,0,0|2,0,1]=4 384 B10R1.176 COc1ccc(c(c1)N)N AS05477 [0,1,0,0,0,0|2,0,1]=4 385 B10R1.176 Cc1cc(ccc1Br)C#N AS03711 [0,1,0,0,0,0|2,0,1]=4 386 B10R1.176 Cc1cc(ccc1Br)C=O AS06928 [0,1,0,0,0,0|2,0,0]=3 387 B10R1.176 Cc1cc(ccc1Br)OC AS01021 [0,1,0,0,0,0|2,0,1]=4 388 B10R1.176 Cc1cc(ccc1Cl)C#N AS03724 [0,1,0,0,0,0|2,0,1]=4 389 B10R1.176 Cc1cc(ccc1Cl)C=O AS05565 [0,1,0,0,0,0|2,0,0]=3 390 B10R1.176 Cc1cc(ccc1Cl)OC AS02810 [0,1,0,0,0,0|2,0,1]=4 391 B10R1.176 Cc1cc(ccc1F)C#N AS01685 [0,1,0,0,0,0|2,0,1]=4 392 B10R1.176 Cc1cc(ccc1F)C#N AS04686 [0,1,0,0,0,0|2,0,1]=4 393 B10R1.176 Cc1cc(ccc1F)C=O AS01472 [0,1,0,0,0,0|2,0,0]=3 394 B10R1.176 Cc1cc(ccc1F)CN AS01941 [0,1,0,0,0,0|2,0,1]=4 395 B10R1.176 Cc1cc(ccc1F)CN AS02008 [0,1,0,0,0,0|2,0,1]=4 396 B10R1.176 Cc1cc(ccc1F)OC AS02627 [0,1,0,0,0,0|2,0,1]=4 397 B10R1.176 Cc1cc(ccc1I)C#N AS03758 [0,1,0,0,0,0|2,0,1]=4 398 B10R1.176 Cc1cc(ccc1N)C#N AS02394 [0,1,0,0,0,0|2,0,1]=4 399 B10R1.176 Cc1cc(ccc1N)OC AS00349 [0,1,0,0,0,0|2,0,1]=4 400 B10R1.176 Cc1cc(ccc1O)C=O AS05603 [0,1,0,0,0,0|1,0,0]=2 401 B10R1.176 Cc1ccc(cc1Br)C#N AS02383 [0,1,0,0,0,0|2,0,1]=4 402 B10R1.176 Cc1ccc(cc1Br)C#N AS04683 [0,1,0,0,0,0|2,0,1]=4 403 B10R1.176 Cc1ccc(cc1Br)C=O AS02205 [0,1,0,0,0,0|2,0,0]=3 404 B10R1.176 Cc1ccc(cc1Br)OC AS05453 [0,1,0,0,0,0|2,0,1]=4 405 B10R1.176 Cc1ccc(cc1C)C=O AS05590 [0,1,0,0,0,0|2,0,0]=3 406 B10R1.176 Cc1ccc(cc1C)CCl AS00712 [0,1,0,0,0,0|2,0,1]=4 407 B10R1.176 Cc1ccc(cc1C)CN AS06971 [0,1,0,0,0,0|2,0,1]=4 408 B10R1.176 Cc1ccc(cc1C)CO AS00594 [0,1,0,0,0,0|2,0,1]=4 409 B10R1.176 Cc1ccc(cc1C)NN AS07068 [0,1,0,0,0,0|3,0,0]=4 410 B10R1.176 Cc1ccc(cc1C)OC AS02544 [0,1,0,0,0,0|2,0,1]=4 411 B10R1.176 Cc1ccc(cc1Cl)C=O AS02998 [0,1,0,0,0,0|2,0,0]=3 412 B10R1.176 Cc1ccc(cc1Cl)CN AS00381 [0,1,0,0,0,0|2,0,1]=4 413 B10R1.176 Cc1ccc(cc1Cl)OC AS02808 [0,1,0,0,0,0|2,0,1]=4 414 B10R1.176 Cc1ccc(cc1F)C#N AS01683 [0,1,0,0,0,0|2,0,1]=4 415 B10R1.176 Cc1ccc(cc1F)C#N AS02711 [0,1,0,0,0,0|2,0,1]=4 416 B10R1.176 Cc1ccc(cc1F)CN AS06972 [0,1,0,0,0,0|2,0,1]=4 417 B10R1.176 Cc1ccc(cc1F)NN AS02007 [0,1,0,0,0,0|3,0,0]=4 418 B10R1.176 Cc1ccc(cc1F)OC AS02625 [0,1,0,0,0,0|2,0,1]=4 419 B10R1.176 Cc1ccc(cc1I)C#N AS03757 [0,1,0,0,0,0|2,0,1]=4 420 B10R1.176 Cc1ccc(cc1N)C#N AS01610 [0,1,0,0,0,0|2,0,1]=4 421 B10R1.176 Cc1ccc(cc1N)OC AS05433 [0,1,0,0,0,0|2,0,1]=4 422 B10R1.176 c1cc(c(cc1C#N)Br)Cl AS05795 [0,1,0,0,0,0|2,0,1]=4 423 B10R1.176 c1cc(c(cc1C#N)Br)F AS02663 [0,1,0,0,0,0|2,0,1]=4 424 B10R1.176 c1cc(c(cc1C#N)Br)N AS01596 [0,1,0,0,0,0|2,0,1]=4 425 B10R1.176 c1cc(c(cc1C#N)Br)O AS03702 [0,1,0,0,0,0|1,0,1]=3 426 B10R1.176 c1cc(c(cc1C#N)Cl)Br AS06882 [0,1,0,0,0,0|2,0,1]=4 427 B10R1.176 c1cc(c(cc1C#N)Cl)Cl AS02652 [0,1,0,0,0,0|2,0,1]=4 428 B10R1.176 c1cc(c(cc1C#N)Cl)F AS02659 [0,1,0,0,0,0|2,0,1]=4 429 B10R1.176 c1cc(c(cc1C#N)Cl)N AS03770 [0,1,0,0,0,0|2,0,1]=4 430 B10R1.176 c1cc(c(cc1C#N)Cl)O AS03718 [0,1,0,0,0,0|1,0,1]=3 431 B10R1.176 c1cc(c(cc1C#N)F)Br AS02664 [0,1,0,0,0,0|2,0,1]=4 432 B10R1.176 c1cc(c(cc1C#N)F)Cl AS03717 [0,1,0,0,0,0|2,0,1]=4 433 B10R1.176 c1cc(c(cc1C#N)F)F AS02657 [0,1,0,0,0,0|2,0,1]=4 434 B10R1.176 c1cc(c(cc1C#N)F)I AS01673 [0,1,0,0,0,0|2,0,1]=4 435 B10R1.176 c1cc(c(cc1C#N)F)N AS01607 [0,1,0,0,0,0|2,0,1]=4 436 B10R1.176 c1cc(c(cc1C#N)F)O AS02587 [0,1,0,0,0,0|1,0,1]=3 437 B10R1.176 c1cc(c(cc1C#N)I)F AS03738 [0,1,0,0,0,0|2,0,1]=4 438 B10R1.176 c1cc(c(cc1C#N)N)Cl AS02770 [0,1,0,0,0,0|2,0,1]=4 439 B10R1.176 c1cc(c(cc1C#N)N)F AS01605 [0,1,0,0,0,0|2,0,1]=4 440 B10R1.176 c1cc(c(cc1C#N)N)N AS01655 [0,1,0,0,0,0|2,0,1]=4 441 B10R1.176 c1cc(c(cc1C#N)O)Cl AS06369 [0,1,0,0,0,0|2,0,1]=4 442 B10R1.176 c1cc(c(cc1C#N)O)F AS05849 [0,1,0,0,0,0|2,0,1]=4 443 B10R1.176 c1cc(c(cc1C#N)O)I AS05862 [0,1,0,0,0,0|2,0,1]=4 444 B10R1.176 c1cc(c(cc1C=O)Br)Br AS03024 [0,1,0,0,0,0|2,0,0]=3 445 B10R1.176 c1cc(c(cc1C=O)Br)Cl AS04969 [0,1,0,0,0,0|2,0,0]=3 446 B10R1.176 c1cc(c(cc1C=O)Br)F AS03018 [0,1,0,0,0,0|2,0,0]=3 447 B10R1.176 c1cc(c(cc1C=O)Br)O AS03815 [0,1,0,0,0,0|1,0,0]=2 448 B10R1.176 c1cc(c(cc1C=O)Cl)Cl AS03015 [0,1,0,0,0,0|2,0,0]=3 449 B10R1.176 c1cc(c(cc1C=O)Cl)F AS03021 [0,1,0,0,0,0|2,0,0]=3 450 B10R1.176 c1cc(c(cc1C=O)Cl)O AS06839 [0,1,0,0,0,0|1,0,0]=2 451 B10R1.176 c1cc(c(cc1C=O)F)Br AS01429 [0,1,0,0,0,0|2,0,0]=3 452 B10R1.176 c1cc(c(cc1C=O)F)Br AS03947 [0,1,0,0,0,0|2,0,0]=3 453 B10R1.176 c1cc(c(cc1C=O)F)Cl AS03837 [0,1,0,0,0,0|2,0,0]=3 454 B10R1.176 c1cc(c(cc1C=O)F)F AS01454 [0,1,0,0,0,0|2,0,0]=3 455 B10R1.176 c1cc(c(cc1C=O)F)I AS05595 [0,1,0,0,0,0|2,0,0]=3 456 B10R1.176 c1cc(c(cc1C=O)F)O AS03052 [0,1,0,0,0,0|1,0,0]=2 457 B10R1.176 c1cc(c(cc1C=O)I)Br AS06471 [0,1,0,0,0,0|2,0,0]=3 458 B10R1.176 c1cc(c(cc1C=O)I)Cl AS06472 [0,1,0,0,0,0|2,0,0]=3 459 B10R1.176 c1cc(c(cc1C=O)I)F AS03887 [0,1,0,0,0,0|2,0,0]=3 460 B10R1.176 c1cc(c(cc1C=O)I)F AS05596 [0,1,0,0,0,0|2,0,0]=3 461 B10R1.176 c1cc(c(cc1C=O)I)I AS06470 [0,1,0,0,0,0|2,0,0]=3 462 B10R1.176 c1cc(c(cc1C=O)I)O AS02778 [0,1,0,0,0,0|1,0,0]=2 463 B10R1.176 c1cc(c(cc1C=O)O)Br AS05537 [0,1,0,0,0,0|2,0,0]=3 464 B10R1.176 c1cc(c(cc1CBr)Br)F AS00658 [0,1,0,0,0,0|2,0,1]=4 465 B10R1.176 c1cc(c(cc1CBr)Cl)Cl AS01830 [0,1,0,0,0,0|2,0,1]=4 466 B10R1.176 c1cc(c(cc1CBr)Cl)F AS00678 [0,1,0,0,0,0|2,0,1]=4 467 B10R1.176 c1cc(c(cc1CBr)F)Cl AS00677 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.176 c1cc(c(cc1CBr)F)F AS00702 [0,1,0,0,0,0|2,0,1]=4 469 B10R1.176 c1cc(c(cc1CCl)Cl)Cl AS02061 [0,1,0,0,0,0|2,0,1]=4 470 B10R1.176 c1cc(c(cc1CCl)Cl)F AS00674 [0,1,0,0,0,0|2,0,1]=4 471 B10R1.176 c1cc(c(cc1CCl)F)Cl AS00673 [0,1,0,0,0,0|2,0,1]=4 472 B10R1.176 c1cc(c(cc1CCl)F)F AS00687 [0,1,0,0,0,0|2,0,1]=4 473 B10R1.176 c1cc(c(cc1CN)Br)F AS00377 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.176 c1cc(c(cc1CN)Cl)Cl AS06021 [0,1,0,0,0,0|2,0,1]=4 475 B10R1.176 c1cc(c(cc1CN)Cl)F AS01931 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.176 c1cc(c(cc1CN)Cl)F AS02952 [0,1,0,0,0,0|2,0,1]=4 477 B10R1.176 c1cc(c(cc1CN)F)Cl AS02305 [0,1,0,0,0,0|2,0,1]=4 478 B10R1.176 c1cc(c(cc1CN)F)Cl AS02740 [0,1,0,0,0,0|2,0,1]=4 479 B10R1.176 c1cc(c(cc1CN)F)F AS01934 [0,1,0,0,0,0|2,0,1]=4 480 B10R1.176 c1cc(c(cc1CO)Br)Br AS03972 [0,1,0,0,0,0|2,0,1]=4 481 B10R1.176 c1cc(c(cc1CO)Cl)Cl AS00608 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.176 c1cc(c(cc1CO)F)Cl AS03968 [0,1,0,0,0,0|2,0,1]=4 483 B10R1.176 c1cc(c(cc1CO)F)F AS00612 [0,1,0,0,0,0|2,0,1]=4 484 B10R1.176 c1cc(c(cc1CO)O)I AS05984 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.176 c1cc(c(cc1NN)F)F AS03279 [0,1,0,0,0,0|3,0,0]=4 486 B7R1.3 c1cc(cnc1)Br AS03469 [2,0,0,0,0,0|2,0,0]=4 487 B7R1.3 c1cc(cnc1)Cl AS02841 [2,0,0,0,0,0|2,0,0]=4 488 B7R1.3 c1cc(cnc1)F AS06189 [2,0,0,0,0,0|2,0,0]=4 489 B7R1.3 c1ccc(cc1)I AS02214 [2,0,0,0,0,0|1,0,0]=3 490 B7R1.3 c1ccc(cc1)I AS04509 [2,0,0,0,0,0|1,0,0]=3 491 B7R1.3 c1ccc(cc1)S AS04135 [2,0,0,0,0,0|0,1,0]=3 492 B7R1.3 c1ccnc(c1)Cl AS06184 [2,0,0,0,0,0|2,0,0]=4 493 B7R1.3 c1ccnc(c1)F AS04826 [2,0,0,0,0,0|2,0,0]=4 494 B7R1.3 c1cnccc1F AS04868 [2,0,0,0,0,0|2,0,0]=4 495 B9R1.2 C#Cc1cccc(c1)Cl AS06787 [1,1,0,0,0,0|0,0,2]=4 496 B9R1.2 C=Cc1cccc(c1)Br AS03805 [1,1,0,0,0,0|0,0,0]=2 497 B9R1.2 C=Cc1cccc(c1)F AS03775 [1,1,0,0,0,0|0,0,0]=2 498 B9R1.2 CCc1cccc(c1)Br AS03253 [1,1,0,0,0,0|0,0,2]=4 499 B9R1.2 CCc1cccc(c1)N AS00465 [1,1,0,0,0,0|0,0,2]=4 500 B9R1.2 CCc1cccc(c1)O AS04468 [1,1,0,0,0,0|0,0,2]=4 501 B9R1.2 CNc1cccc(c1)O AS06505 [1,1,0,0,0,0|1,0,1]=4 502 B9R1.2 COc1cccc(c1)Br AS04314 [1,1,0,0,0,0|1,0,1]=4 503 B9R1.2 COc1cccc(c1)Cl AS02677 [1,1,0,0,0,0|1,0,1]=4 504 B9R1.2 COc1cccc(c1)F AS02585 [1,1,0,0,0,0|1,0,1]=4 505 B9R1.2 COc1cccc(c1)I AS02207 [1,1,0,0,0,0|1,0,1]=4 506 B9R1.2 COc1cccc(c1)N AS01512 [1,1,0,0,0,0|1,0,1]=4 507 B9R1.2 COc1cccc(c1)O AS00218 [1,1,0,0,0,0|1,0,1]=4 508 B9R1.2 COc1cccc(c1)S AS00080 [1,1,0,0,0,0|1,0,1]=4 509 B9R1.2 CSc1cccc(c1)Br AS04292 [1,1,0,0,0,0|1,0,1]=4 510 B9R1.2 CSc1cccc(c1)Cl AS04288 [1,1,0,0,0,0|1,0,1]=4 511 B9R1.2 CSc1cccc(c1)F AS04285 [1,1,0,0,0,0|1,0,1]=4 512 B9R1.2 CSc1cccc(c1)I AS04300 [1,1,0,0,0,0|1,0,1]=4 513 B9R1.2 CSc1cccc(c1)N AS04282 [1,1,0,0,0,0|1,0,1]=4 514 B9R1.2 Cc1cccc(c1)C#N AS02590 [1,1,0,0,0,0|1,0,1]=4 515 B9R1.2 Cc1cccc(c1)C=O AS02785 [1,1,0,0,0,0|1,0,0]=3 516 B9R1.2 Cc1cccc(c1)CCl AS00628 [1,1,0,0,0,0|1,0,1]=4 517 B9R1.2 Cc1cccc(c1)CF AS05991 [1,1,0,0,0,0|1,0,1]=4 518 B9R1.2 Cc1cccc(c1)CN AS00385 [1,1,0,0,0,0|1,0,1]=4 519 B9R1.2 Cc1cccc(c1)OC AS01016 [1,1,0,0,0,0|1,0,1]=4 520 B9R1.2 Cc1cccc(c1)SC AS04308 [1,1,0,0,0,0|1,0,1]=4 521 B9R1.2 c1cc(cc(c1)Br)C#N AS03697 [1,1,0,0,0,0|1,0,1]=4 522 B9R1.2 c1cc(cc(c1)Br)C=O AS02864 [1,1,0,0,0,0|1,0,0]=3 523 B9R1.2 c1cc(cc(c1)Br)CBr AS00624 [1,1,0,0,0,0|1,0,1]=4 524 B9R1.2 c1cc(cc(c1)Br)CN AS02267 [1,1,0,0,0,0|1,0,1]=4 525 B9R1.2 c1cc(cc(c1)Br)CN AS03102 [1,1,0,0,0,0|1,0,1]=4 526 B9R1.2 c1cc(cc(c1)Br)CO AS03953 [1,1,0,0,0,0|1,0,1]=4 527 B9R1.2 c1cc(cc(c1)Cl)C#N AS03714 [1,1,0,0,0,0|1,0,1]=4 528 B9R1.2 c1cc(cc(c1)Cl)C=O AS02776 [1,1,0,0,0,0|1,0,0]=3 529 B9R1.2 c1cc(cc(c1)Cl)CBr AS00001 [1,1,0,0,0,0|1,0,1]=4 530 B9R1.2 c1cc(cc(c1)Cl)CCl AS02066 [1,1,0,0,0,0|1,0,1]=4 531 B9R1.2 c1cc(cc(c1)Cl)CN AS00386 [1,1,0,0,0,0|1,0,1]=4 532 B9R1.2 c1cc(cc(c1)Cl)CN AS02688 [1,1,0,0,0,0|1,0,1]=4 533 B9R1.2 c1cc(cc(c1)Cl)CO AS03964 [1,1,0,0,0,0|1,0,1]=4 534 B9R1.2 c1cc(cc(c1)F)C#N AS03735 [1,1,0,0,0,0|1,0,1]=4 535 B9R1.2 c1cc(cc(c1)F)C=O AS03000 [1,1,0,0,0,0|1,0,0]=3 536 B9R1.2 c1cc(cc(c1)F)CBr AS00663 [1,1,0,0,0,0|1,0,1]=4 537 B9R1.2 c1cc(cc(c1)F)CCl AS00661 [1,1,0,0,0,0|1,0,1]=4 538 B9R1.2 c1cc(cc(c1)F)CF AS05720 [1,1,0,0,0,0|1,0,1]=4 539 B9R1.2 c1cc(cc(c1)F)CN AS00833 [1,1,0,0,0,0|1,0,1]=4 540 B9R1.2 c1cc(cc(c1)F)CN AS01937 [1,1,0,0,0,0|1,0,1]=4 541 B9R1.2 c1cc(cc(c1)F)CO AS03977 [1,1,0,0,0,0|1,0,1]=4 542 B9R1.2 c1cc(cc(c1)F)NN AS02004 [1,1,0,0,0,0|2,0,0]=4 543 B9R1.2 c1cc(cc(c1)I)C#N AS03751 [1,1,0,0,0,0|1,0,1]=4 544 B9R1.2 c1cc(cc(c1)I)C=O AS03915 [1,1,0,0,0,0|1,0,0]=3 545 B9R1.2 c1cc(cc(c1)I)CBr AS00643 [1,1,0,0,0,0|1,0,1]=4 546 B9R1.2 c1cc(cc(c1)I)CN AS02222 [1,1,0,0,0,0|1,0,1]=4 547 B9R1.2 c1cc(cc(c1)I)CN AS02300 [1,1,0,0,0,0|1,0,1]=4 548 B9R1.2 c1cc(cc(c1)I)CO AS03986 [1,1,0,0,0,0|1,0,1]=4 549 B9R1.2 c1cc(cc(c1)N)C#N AS02645 [1,1,0,0,0,0|1,0,1]=4 550 B9R1.2 c1cc(cc(c1)N)CO AS00403 [1,1,0,0,0,0|1,0,1]=4 551 B9R1.2 c1cc(cc(c1)O)C#N AS02649 [1,1,0,0,0,0|1,0,1]=4 552 B9R1.2 c1cc(cc(c1)O)CO AS00159 [1,1,0,0,0,0|1,0,1]=4 553 B9R1.6 c1cc(cnc1)C(=N)N AS06178 [1,1,0,0,0,0|2,0,0]=4 554 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [1,1,0,0,0,0|1,0,0]=3 555 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [1,1,0,0,0,0|1,0,0]=3 556 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [1,1,0,0,0,0|1,0,0]=3 557 B9R1.6 c1ccc(cc1)[N+](=O)[O-] AS01461 [1,1,0,0,0,0|2,0,0]=4 558 B9R1.6 c1ccnc(c1)C(=N)N AS06177 [1,1,0,0,0,0|2,0,0]=4 559 B9R1.8 c1ccc(cc1)CC#N AS01366 [1,1,0,0,0,0|0,0,2]=4 560 B9R1.8 c1ccc(cc1)CCCl AS00650 [1,1,0,0,0,0|0,0,2]=4 561 B9R1.8 c1ccc(cc1)CCN AS00484 [1,1,0,0,0,0|0,0,2]=4 562 B9R1.8 c1ccc(cc1)CCO AS00558 [1,1,0,0,0,0|0,0,2]=4 563 B9R1.8 c1ccc(cc1)CON AS04494 [1,1,0,0,0,0|1,0,1]=4 564 B9R1.8 c1ccc(cc1)N=C=O AS04076 [1,1,0,0,0,0|1,0,1]=4 565 B9R1.8 c1ccc(cc1)N=C=S AS04391 [1,1,0,0,0,0|1,0,1]=4 566 B9R1.15 C=Cc1ccccc1Br AS03804 [1,1,0,0,0,0|0,0,0]=2 567 B9R1.15 C=Cc1ccccc1F AS03294 [1,1,0,0,0,0|0,0,0]=2 568 B9R1.15 CCc1ccccc1Br AS03252 [1,1,0,0,0,0|0,0,2]=4 569 B9R1.15 CCc1ccccc1I AS02158 [1,1,0,0,0,0|0,0,2]=4 570 B9R1.15 CNc1ccccc1N AS04592 [1,1,0,0,0,0|1,0,1]=4 571 B9R1.15 COc1ccccc1Br AS02357 [1,1,0,0,0,0|1,0,1]=4 572 B9R1.15 COc1ccccc1Cl AS02676 [1,1,0,0,0,0|1,0,1]=4 573 B9R1.15 COc1ccccc1F AS01803 [1,1,0,0,0,0|1,0,1]=4 574 B9R1.15 COc1ccccc1I AS02206 [1,1,0,0,0,0|1,0,1]=4 575 B9R1.15 COc1ccccc1N AS01503 [1,1,0,0,0,0|1,0,1]=4 576 B9R1.15 CSc1ccccc1Br AS04291 [1,1,0,0,0,0|1,0,1]=4 577 B9R1.15 CSc1ccccc1Cl AS04287 [1,1,0,0,0,0|1,0,1]=4 578 B9R1.15 CSc1ccccc1F AS04284 [1,1,0,0,0,0|1,0,1]=4 579 B9R1.15 CSc1ccccc1I AS04299 [1,1,0,0,0,0|1,0,1]=4 580 B9R1.15 CSc1ccccc1N AS04281 [1,1,0,0,0,0|1,0,1]=4 581 B9R1.15 CSc1ccccc1O AS04298 [1,1,0,0,0,0|1,0,1]=4 582 B9R1.15 Cc1ccccc1C=O AS02777 [1,1,0,0,0,0|1,0,0]=3 583 B9R1.15 Cc1ccccc1CBr AS02052 [1,1,0,0,0,0|1,0,1]=4 584 B9R1.15 Cc1ccccc1CCl AS03843 [1,1,0,0,0,0|1,0,1]=4 585 B9R1.15 Cc1ccccc1CN AS00380 [1,1,0,0,0,0|1,0,1]=4 586 B9R1.15 Cc1ccccc1NN AS02962 [1,1,0,0,0,0|2,0,0]=4 587 B9R1.15 Cc1ccccc1OC AS01015 [1,1,0,0,0,0|1,0,1]=4 588 B9R1.15 Cc1ccccc1SC AS04306 [1,1,0,0,0,0|1,0,1]=4 589 B9R1.15 c1ccc(c(c1)C#N)Br AS03696 [1,1,0,0,0,0|1,0,1]=4 590 B9R1.15 c1ccc(c(c1)C#N)Cl AS03713 [1,1,0,0,0,0|1,0,1]=4 591 B9R1.15 c1ccc(c(c1)C#N)F AS03734 [1,1,0,0,0,0|1,0,1]=4 592 B9R1.15 c1ccc(c(c1)C#N)I AS03750 [1,1,0,0,0,0|1,0,1]=4 593 B9R1.15 c1ccc(c(c1)C#N)N AS02644 [1,1,0,0,0,0|1,0,1]=4 594 B9R1.15 c1ccc(c(c1)C#N)O AS02648 [1,1,0,0,0,0|1,0,1]=4 595 B9R1.15 c1ccc(c(c1)C#N)S AS06875 [1,1,0,0,0,0|1,0,1]=4 596 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [1,1,0,0,0,0|1,0,0]=3 597 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [1,1,0,0,0,0|1,0,0]=3 598 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [1,1,0,0,0,0|1,0,0]=3 599 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [1,1,0,0,0,0|1,0,0]=3 600 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [1,1,0,0,0,0|1,0,0]=3 601 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [1,1,0,0,0,0|1,0,0]=3 602 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [1,1,0,0,0,0|1,0,1]=4 603 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [1,1,0,0,0,0|1,0,1]=4 604 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [1,1,0,0,0,0|1,0,1]=4 605 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [1,1,0,0,0,0|1,0,1]=4 606 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [1,1,0,0,0,0|1,0,1]=4 607 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [1,1,0,0,0,0|1,0,1]=4 608 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [1,1,0,0,0,0|1,0,1]=4 609 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [1,1,0,0,0,0|1,0,1]=4 610 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [1,1,0,0,0,0|1,0,1]=4 611 B9R1.15 c1ccc(c(c1)CN)F AS00832 [1,1,0,0,0,0|1,0,1]=4 612 B9R1.15 c1ccc(c(c1)CN)F AS01936 [1,1,0,0,0,0|1,0,1]=4 613 B9R1.15 c1ccc(c(c1)CN)I AS02221 [1,1,0,0,0,0|1,0,1]=4 614 B9R1.15 c1ccc(c(c1)CN)I AS02299 [1,1,0,0,0,0|1,0,1]=4 615 B9R1.15 c1ccc(c(c1)CN)N AS06598 [1,1,0,0,0,0|1,0,1]=4 616 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [1,1,0,0,0,0|1,0,1]=4 617 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [1,1,0,0,0,0|1,0,1]=4 618 B9R1.15 c1ccc(c(c1)CO)F AS03976 [1,1,0,0,0,0|1,0,1]=4 619 B9R1.15 c1ccc(c(c1)CO)I AS03985 [1,1,0,0,0,0|1,0,1]=4 620 B9R1.15 c1ccc(c(c1)CO)N AS00575 [1,1,0,0,0,0|1,0,1]=4 621 B9R1.15 c1ccc(c(c1)CO)O AS00547 [1,1,0,0,0,0|1,0,1]=4 622 B9R1.15 c1ccc(c(c1)NN)Br AS02014 [1,1,0,0,0,0|2,0,0]=4 623 B9R1.15 c1ccc(c(c1)NN)Cl AS01997 [1,1,0,0,0,0|2,0,0]=4 624 B9R1.15 c1ccc(c(c1)NN)F AS02017 [1,1,0,0,0,0|2,0,0]=4 625 B9R1.15 c1ccc(c(c1)NN)F AS02959 [1,1,0,0,0,0|2,0,0]=4 626 B9R1.69 Cc1cc(ccc1Br)Br AS00106 [1,1,0,0,0,0|2,0,0]=4 627 B9R1.69 Cc1cc(ccc1Br)Cl AS03173 [1,1,0,0,0,0|2,0,0]=4 628 B9R1.69 Cc1cc(ccc1Br)F AS01019 [1,1,0,0,0,0|2,0,0]=4 629 B9R1.69 Cc1cc(ccc1Br)I AS03372 [1,1,0,0,0,0|2,0,0]=4 630 B9R1.69 Cc1cc(ccc1Br)N AS03419 [1,1,0,0,0,0|2,0,0]=4 631 B9R1.69 Cc1cc(ccc1Br)N AS04116 [1,1,0,0,0,0|2,0,0]=4 632 B9R1.69 Cc1cc(ccc1Br)N AS06933 [1,1,0,0,0,0|2,0,0]=4 633 B9R1.69 Cc1cc(ccc1Br)O AS06856 [1,1,0,0,0,0|1,0,0]=3 634 B9R1.69 Cc1cc(ccc1Cl)Br AS00100 [1,1,0,0,0,0|2,0,0]=4 635 B9R1.69 Cc1cc(ccc1Cl)Cl AS02895 [1,1,0,0,0,0|2,0,0]=4 636 B9R1.69 Cc1cc(ccc1Cl)F AS02757 [1,1,0,0,0,0|2,0,0]=4 637 B9R1.69 Cc1cc(ccc1Cl)I AS03077 [1,1,0,0,0,0|2,0,0]=4 638 B9R1.69 Cc1cc(ccc1Cl)N AS02804 [1,1,0,0,0,0|2,0,0]=4 639 B9R1.69 Cc1cc(ccc1Cl)N AS02805 [1,1,0,0,0,0|2,0,0]=4 640 B9R1.69 Cc1cc(ccc1F)Br AS03336 [1,1,0,0,0,0|2,0,0]=4 641 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [1,1,0,0,0,0|2,0,0]=4 642 B9R1.69 Cc1cc(ccc1F)F AS02070 [1,1,0,0,0,0|2,0,0]=4 643 B9R1.69 Cc1cc(ccc1F)I AS02074 [1,1,0,0,0,0|2,0,0]=4 644 B9R1.69 Cc1cc(ccc1F)N AS03242 [1,1,0,0,0,0|2,0,0]=4 645 B9R1.69 Cc1cc(ccc1F)O AS01400 [1,1,0,0,0,0|1,0,0]=3 646 B9R1.69 Cc1cc(ccc1I)Br AS03379 [1,1,0,0,0,0|2,0,0]=4 647 B9R1.69 Cc1cc(ccc1I)Cl AS00124 [1,1,0,0,0,0|2,0,0]=4 648 B9R1.69 Cc1cc(ccc1I)F AS02194 [1,1,0,0,0,0|2,0,0]=4 649 B9R1.69 Cc1cc(ccc1I)I AS02148 [1,1,0,0,0,0|2,0,0]=4 650 B9R1.69 Cc1cc(ccc1I)O AS04647 [1,1,0,0,0,0|1,0,0]=3 651 B9R1.69 Cc1cc(ccc1N)Br AS00449 [1,1,0,0,0,0|2,0,0]=4 652 B9R1.69 Cc1cc(ccc1N)Br AS03418 [1,1,0,0,0,0|2,0,0]=4 653 B9R1.69 Cc1cc(ccc1N)Cl AS00413 [1,1,0,0,0,0|2,0,0]=4 654 B9R1.69 Cc1cc(ccc1N)F AS04091 [1,1,0,0,0,0|2,0,0]=4 655 B9R1.69 Cc1cc(ccc1N)I AS02257 [1,1,0,0,0,0|2,0,0]=4 656 B9R1.69 Cc1cc(ccc1O)Br AS00228 [1,1,0,0,0,0|1,0,0]=3 657 B9R1.69 Cc1cc(ccc1O)Br AS06250 [1,1,0,0,0,0|1,0,0]=3 658 B9R1.69 Cc1cc(ccc1O)Cl AS02822 [1,1,0,0,0,0|1,0,0]=3 659 B9R1.69 Cc1cc(ccc1O)F AS01399 [1,1,0,0,0,0|1,0,0]=3 660 B9R1.69 Cc1ccc(c(c1)Br)Br AS00240 [1,1,0,0,0,0|1,0,1]=4 661 B9R1.69 Cc1ccc(c(c1)Br)Br AS02027 [1,1,0,0,0,0|1,0,1]=4 662 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [1,1,0,0,0,0|1,0,1]=4 663 B9R1.69 Cc1ccc(c(c1)Br)Cl AS00084 [1,1,0,0,0,0|1,0,1]=4 664 B9R1.69 Cc1ccc(c(c1)Br)F AS03335 [1,1,0,0,0,0|1,0,1]=4 665 B9R1.69 Cc1ccc(c(c1)Br)I AS03375 [1,1,0,0,0,0|1,0,1]=4 666 B9R1.69 Cc1ccc(c(c1)Br)N AS03412 [1,1,0,0,0,0|1,0,1]=4 667 B9R1.69 Cc1ccc(c(c1)Br)N AS03417 [1,1,0,0,0,0|1,0,1]=4 668 B9R1.69 Cc1ccc(c(c1)C)Br AS03232 [1,1,0,0,0,0|1,0,1]=4 669 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [1,1,0,0,0,0|1,0,1]=4 670 B9R1.69 Cc1ccc(c(c1)C)Cl AS02702 [1,1,0,0,0,0|1,0,1]=4 671 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [1,1,0,0,0,0|1,0,1]=4 672 B9R1.69 Cc1ccc(c(c1)C)I AS02153 [1,1,0,0,0,0|1,0,1]=4 673 B9R1.69 Cc1ccc(c(c1)C)N AS01548 [1,1,0,0,0,0|1,0,1]=4 674 B9R1.69 Cc1ccc(c(c1)Cl)Br AS03175 [1,1,0,0,0,0|1,0,1]=4 675 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [1,1,0,0,0,0|1,0,1]=4 676 B9R1.69 Cc1ccc(c(c1)Cl)F AS02758 [1,1,0,0,0,0|1,0,1]=4 677 B9R1.69 Cc1ccc(c(c1)Cl)I AS00145 [1,1,0,0,0,0|1,0,1]=4 678 B9R1.69 Cc1ccc(c(c1)Cl)N AS05330 [1,1,0,0,0,0|1,0,1]=4 679 B9R1.69 Cc1ccc(c(c1)Cl)O AS02819 [1,1,0,0,0,0|0,0,1]=3 680 B9R1.69 Cc1ccc(c(c1)F)Br AS00304 [1,1,0,0,0,0|1,0,1]=4 681 B9R1.69 Cc1ccc(c(c1)F)Cl AS02760 [1,1,0,0,0,0|1,0,1]=4 682 B9R1.69 Cc1ccc(c(c1)F)F AS02071 [1,1,0,0,0,0|1,0,1]=4 683 B9R1.69 Cc1ccc(c(c1)F)I AS02191 [1,1,0,0,0,0|1,0,1]=4 684 B9R1.69 Cc1ccc(c(c1)F)N AS00425 [1,1,0,0,0,0|1,0,1]=4 685 B9R1.69 Cc1ccc(c(c1)I)Br AS03378 [1,1,0,0,0,0|1,0,1]=4 686 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [1,1,0,0,0,0|1,0,1]=4 687 B9R1.69 Cc1ccc(c(c1)I)F AS02193 [1,1,0,0,0,0|1,0,1]=4 688 B9R1.69 Cc1ccc(c(c1)I)I AS02149 [1,1,0,0,0,0|1,0,1]=4 689 B9R1.69 Cc1ccc(c(c1)I)N AS02255 [1,1,0,0,0,0|1,0,1]=4 690 B9R1.69 Cc1ccc(c(c1)N)Br AS06846 [1,1,0,0,0,0|1,0,1]=4 691 B9R1.69 Cc1ccc(c(c1)N)Br AS06967 [1,1,0,0,0,0|1,0,1]=4 692 B9R1.69 Cc1ccc(c(c1)N)Cl AS04682 [1,1,0,0,0,0|1,0,1]=4 693 B9R1.69 Cc1ccc(c(c1)N)Cl AS06932 [1,1,0,0,0,0|1,0,1]=4 694 B9R1.69 Cc1ccc(c(c1)N)F AS03240 [1,1,0,0,0,0|1,0,1]=4 695 B9R1.69 Cc1ccc(c(c1)N)I AS04099 [1,1,0,0,0,0|1,0,1]=4 696 B9R1.69 Cc1ccc(c(c1)O)Br AS00227 [1,1,0,0,0,0|1,0,1]=4 697 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [1,1,0,0,0,0|1,0,1]=4 698 B9R1.69 Cc1ccc(c(c1)O)Cl AS02820 [1,1,0,0,0,0|1,0,1]=4 699 B9R1.69 Cc1ccc(c(c1)O)F AS00182 [1,1,0,0,0,0|1,0,1]=4 700 B9R1.69 Cc1ccc(c(c1)O)O AS07054 [1,1,0,0,0,0|0,0,1]=3 701 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [1,1,0,0,0,0|1,0,1]=4 702 B9R1.69 Cc1ccc(c(n1)F)O AS04857 [1,1,0,0,0,0|1,0,1]=4 703 B9R1.69 Cc1ccc(cc1Br)Br AS00135 [1,1,0,0,0,0|1,0,1]=4 704 B9R1.69 Cc1ccc(cc1Br)Cl AS00104 [1,1,0,0,0,0|1,0,1]=4 705 B9R1.69 Cc1ccc(cc1Br)F AS01018 [1,1,0,0,0,0|1,0,1]=4 706 B9R1.69 Cc1ccc(cc1Br)I AS03371 [1,1,0,0,0,0|1,0,1]=4 707 B9R1.69 Cc1ccc(cc1Br)N AS04061 [1,1,0,0,0,0|1,0,1]=4 708 B9R1.69 Cc1ccc(cc1Br)O AS06517 [1,1,0,0,0,0|0,0,1]=3 709 B9R1.69 Cc1ccc(cc1C)Br AS03659 [1,1,0,0,0,0|1,0,1]=4 710 B9R1.69 Cc1ccc(cc1C)Cl AS02704 [1,1,0,0,0,0|1,0,1]=4 711 B9R1.69 Cc1ccc(cc1C)F AS00280 [1,1,0,0,0,0|1,0,1]=4 712 B9R1.69 Cc1ccc(cc1C)I AS02151 [1,1,0,0,0,0|1,0,1]=4 713 B9R1.69 Cc1ccc(cc1C)N AS07069 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.69 Cc1ccc(cc1Cl)Br AS00171 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.69 Cc1ccc(cc1Cl)F AS01022 [1,1,0,0,0,0|1,0,1]=4 716 B9R1.69 Cc1ccc(cc1Cl)I AS03076 [1,1,0,0,0,0|1,0,1]=4 717 B9R1.69 Cc1ccc(cc1Cl)N AS03227 [1,1,0,0,0,0|1,0,1]=4 718 B9R1.69 Cc1ccc(cc1Cl)O AS00234 [1,1,0,0,0,0|0,0,1]=3 719 B9R1.69 Cc1ccc(cc1F)Br AS00241 [1,1,0,0,0,0|1,0,1]=4 720 B9R1.69 Cc1ccc(cc1F)Cl AS02759 [1,1,0,0,0,0|1,0,1]=4 721 B9R1.69 Cc1ccc(cc1F)F AS02069 [1,1,0,0,0,0|1,0,1]=4 722 B9R1.69 Cc1ccc(cc1F)I AS02189 [1,1,0,0,0,0|1,0,1]=4 723 B9R1.69 Cc1ccc(cc1F)N AS00436 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.69 Cc1ccc(cc1F)O AS01398 [1,1,0,0,0,0|0,0,1]=3 725 B9R1.69 Cc1ccc(cc1I)Br AS03377 [1,1,0,0,0,0|1,0,1]=4 726 B9R1.69 Cc1ccc(cc1I)Cl AS03079 [1,1,0,0,0,0|1,0,1]=4 727 B9R1.69 Cc1ccc(cc1I)F AS02192 [1,1,0,0,0,0|1,0,1]=4 728 B9R1.69 Cc1ccc(cc1I)I AS02147 [1,1,0,0,0,0|1,0,1]=4 729 B9R1.69 Cc1ccc(cc1I)N AS02256 [1,1,0,0,0,0|1,0,1]=4 730 B9R1.69 Cc1ccc(cc1N)Br AS00457 [1,1,0,0,0,0|1,0,1]=4 731 B9R1.69 Cc1ccc(cc1N)Cl AS04751 [1,1,0,0,0,0|1,0,1]=4 732 B9R1.69 Cc1ccc(cc1N)F AS00350 [1,1,0,0,0,0|1,0,1]=4 733 B9R1.69 Cc1ccc(cc1N)I AS02328 [1,1,0,0,0,0|1,0,1]=4 734 B9R1.69 Cc1ccc(cc1N)O AS01352 [1,1,0,0,0,0|0,0,1]=3 735 B9R1.69 Cc1ccc(cc1N)O AS02087 [1,1,0,0,0,0|0,0,1]=3 736 B9R1.69 Cc1ccc(cc1O)Br AS04653 [1,1,0,0,0,0|1,0,1]=4 737 B9R1.69 Cc1ccc(cc1O)Cl AS02823 [1,1,0,0,0,0|1,0,1]=4 738 B9R1.69 Cc1ccc(cc1O)F AS00890 [1,1,0,0,0,0|1,0,1]=4 739 B9R1.69 Cc1ccc(cc1O)N AS05434 [1,1,0,0,0,0|1,0,1]=4 740 B9R1.69 Cc1ccc(cc1O)O AS06296 [1,1,0,0,0,0|0,0,1]=3 741 B9R1.69 c1c(c(cnc1O)F)Br AS04798 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.69 c1c(cnc(c1F)Cl)O AS04812 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.69 c1cc(c(cc1Br)Br)Br AS03654 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.69 c1cc(c(cc1Br)Br)Cl AS03480 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.69 c1cc(c(cc1Br)Br)F AS03550 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.69 c1cc(c(cc1Br)Br)I AS03563 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.69 c1cc(c(cc1Br)Br)N AS00467 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.69 c1cc(c(cc1Br)Cl)Br AS03481 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.69 c1cc(c(cc1Br)Cl)Cl AS03185 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.69 c1cc(c(cc1Br)Cl)F AS03144 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.69 c1cc(c(cc1Br)Cl)I AS03153 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.69 c1cc(c(cc1Br)Cl)N AS00435 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.69 c1cc(c(cc1Br)Cl)O AS03169 [1,1,0,0,0,0|1,0,0]=3 754 B9R1.69 c1cc(c(cc1Br)F)Br AS03552 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.69 c1cc(c(cc1Br)F)Cl AS01225 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.69 c1cc(c(cc1Br)F)F AS03202 [1,1,0,0,0,0|2,0,0]=4 757 B9R1.69 c1cc(c(cc1Br)F)I AS03315 [1,1,0,0,0,0|2,0,0]=4 758 B9R1.69 c1cc(c(cc1Br)F)N AS03241 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.69 c1cc(c(cc1Br)F)N AS03271 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.69 c1cc(c(cc1Br)F)O AS00212 [1,1,0,0,0,0|1,0,0]=3 761 B9R1.69 c1cc(c(cc1Br)F)S AS05515 [1,1,0,0,0,0|1,1,0]=4 762 B9R1.69 c1cc(c(cc1Br)I)Br AS03564 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.69 c1cc(c(cc1Br)I)Cl AS03156 [1,1,0,0,0,0|2,0,0]=4 764 B9R1.69 c1cc(c(cc1Br)I)I AS03212 [1,1,0,0,0,0|2,0,0]=4 765 B9R1.69 c1cc(c(cc1Br)I)N AS03351 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.69 c1cc(c(cc1Br)I)O AS05450 [1,1,0,0,0,0|1,0,0]=3 767 B9R1.69 c1cc(c(cc1Br)N)Br AS00471 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.69 c1cc(c(cc1Br)N)Cl AS00433 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.69 c1cc(c(cc1Br)N)F AS03273 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.69 c1cc(c(cc1Br)N)F AS04054 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.69 c1cc(c(cc1Br)N)F AS05296 [1,1,0,0,0,0|2,0,0]=4 772 B9R1.69 c1cc(c(cc1Br)N)I AS03352 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.69 c1cc(c(cc1Br)N)N AS00456 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.69 c1cc(c(cc1Br)N)O AS00170 [1,1,0,0,0,0|1,0,0]=3 775 B9R1.69 c1cc(c(cc1Br)O)Br AS04420 [1,1,0,0,0,0|2,0,0]=4 776 B9R1.69 c1cc(c(cc1Br)O)Cl AS00161 [1,1,0,0,0,0|2,0,0]=4 777 B9R1.69 c1cc(c(cc1Br)O)F AS00226 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.69 c1cc(c(cc1Br)O)N AS05408 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.69 c1cc(c(cc1Cl)Br)Br AS03482 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.69 c1cc(c(cc1Cl)Br)Br AS06883 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.69 c1cc(c(cc1Cl)Br)Cl AS03183 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.69 c1cc(c(cc1Cl)Br)F AS03148 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.69 c1cc(c(cc1Cl)Br)I AS03155 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.69 c1cc(c(cc1Cl)Br)N AS01555 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.69 c1cc(c(cc1Cl)Br)O AS03166 [1,1,0,0,0,0|1,0,0]=3 786 B9R1.69 c1cc(c(cc1Cl)Cl)Br AS03182 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.69 c1cc(c(cc1Cl)Cl)F AS02870 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.69 c1cc(c(cc1Cl)Cl)I AS03086 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.69 c1cc(c(cc1Cl)Cl)N AS01519 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.69 c1cc(c(cc1Cl)F)Br AS03146 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.69 c1cc(c(cc1Cl)F)Cl AS02871 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.69 c1cc(c(cc1Cl)F)F AS02694 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.69 c1cc(c(cc1Cl)F)I AS03049 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.69 c1cc(c(cc1Cl)F)N AS00315 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.69 c1cc(c(cc1Cl)F)O AS00395 [1,1,0,0,0,0|1,0,0]=3 796 B9R1.69 c1cc(c(cc1Cl)I)Br AS00283 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.69 c1cc(c(cc1Cl)I)Cl AS03088 [1,1,0,0,0,0|2,0,0]=4 798 B9R1.69 c1cc(c(cc1Cl)I)I AS03040 [1,1,0,0,0,0|2,0,0]=4 799 B9R1.69 c1cc(c(cc1Cl)I)N AS00455 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.69 c1cc(c(cc1Cl)I)O AS05468 [1,1,0,0,0,0|1,0,0]=3 801 B9R1.69 c1cc(c(cc1Cl)N)Br AS03115 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.69 c1cc(c(cc1Cl)N)F AS00333 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.69 c1cc(c(cc1Cl)N)I AS01557 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.69 c1cc(c(cc1Cl)N)N AS01542 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.69 c1cc(c(cc1Cl)N)O AS04639 [1,1,0,0,0,0|1,0,0]=3 806 B9R1.69 c1cc(c(cc1Cl)O)Cl AS02889 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.69 c1cc(c(cc1Cl)O)F AS01380 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.69 c1cc(c(cc1Cl)O)I AS03074 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.69 c1cc(c(cc1F)Br)Br AS03549 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.69 c1cc(c(cc1F)Br)Cl AS03147 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.69 c1cc(c(cc1F)Br)F AS03201 [1,1,0,0,0,0|2,0,0]=4 812 B9R1.69 c1cc(c(cc1F)Br)I AS03318 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.69 c1cc(c(cc1F)Br)N AS00050 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.69 c1cc(c(cc1F)Br)O AS00231 [1,1,0,0,0,0|1,0,0]=3 815 B9R1.69 c1cc(c(cc1F)Cl)Br AS03143 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.69 c1cc(c(cc1F)Cl)Cl AS02869 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.69 c1cc(c(cc1F)Cl)I AS03048 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.69 c1cc(c(cc1F)Cl)N AS00325 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.69 c1cc(c(cc1F)Cl)N AS02721 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.69 c1cc(c(cc1F)Cl)N AS05323 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.69 c1cc(c(cc1F)Cl)O AS00391 [1,1,0,0,0,0|1,0,0]=3 822 B9R1.69 c1cc(c(cc1F)Cl)S AS05517 [1,1,0,0,0,0|1,1,0]=4 823 B9R1.69 c1cc(c(cc1F)F)Br AS03200 [1,1,0,0,0,0|2,0,0]=4 824 B9R1.69 c1cc(c(cc1F)F)Cl AS00268 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.69 c1cc(c(cc1F)F)F AS01587 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.69 c1cc(c(cc1F)F)I AS03093 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.69 c1cc(c(cc1F)F)N AS01534 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.69 c1cc(c(cc1F)F)O AS00157 [1,1,0,0,0,0|1,0,0]=3 829 B9R1.69 c1cc(c(cc1F)F)S AS05520 [1,1,0,0,0,0|1,1,0]=4 830 B9R1.69 c1cc(c(cc1F)I)Br AS03316 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.69 c1cc(c(cc1F)I)Cl AS03046 [1,1,0,0,0,0|2,0,0]=4 832 B9R1.69 c1cc(c(cc1F)I)F AS02127 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.69 c1cc(c(cc1F)I)I AS02136 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.69 c1cc(c(cc1F)I)N AS04081 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.69 c1cc(c(cc1F)I)O AS06581 [1,1,0,0,0,0|1,0,0]=3 836 B9R1.69 c1cc(c(cc1F)N)Br AS00051 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.69 c1cc(c(cc1F)N)Cl AS00334 [1,1,0,0,0,0|2,0,0]=4 838 B9R1.69 c1cc(c(cc1F)N)F AS01535 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.69 c1cc(c(cc1F)N)I AS03197 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.69 c1cc(c(cc1F)N)N AS01545 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.69 c1cc(c(cc1F)N)O AS00224 [1,1,0,0,0,0|1,0,0]=3 842 B9R1.69 c1cc(c(cc1F)O)Br AS00222 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.69 c1cc(c(cc1F)O)Cl AS00194 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.69 c1cc(c(cc1F)O)F AS00183 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.69 c1cc(c(cc1F)O)I AS06580 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.69 c1cc(c(cc1F)O)N AS01348 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.69 c1cc(c(cc1F)O)O AS01420 [1,1,0,0,0,0|1,0,0]=3 848 B9R1.69 c1cc(c(cc1I)Br)Br AS03562 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.69 c1cc(c(cc1I)Br)Cl AS03154 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.69 c1cc(c(cc1I)Br)Cl AS04633 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.69 c1cc(c(cc1I)Br)F AS00284 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.69 c1cc(c(cc1I)Br)F AS03317 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.69 c1cc(c(cc1I)Br)I AS03211 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.69 c1cc(c(cc1I)Br)N AS03349 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.69 c1cc(c(cc1I)Br)N AS05298 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.69 c1cc(c(cc1I)Br)O AS06568 [1,1,0,0,0,0|1,0,0]=3 857 B9R1.69 c1cc(c(cc1I)Cl)Br AS03152 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.69 c1cc(c(cc1I)Cl)Cl AS03085 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.69 c1cc(c(cc1I)Cl)F AS03047 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.69 c1cc(c(cc1I)Cl)I AS03039 [1,1,0,0,0,0|2,0,0]=4 861 B9R1.69 c1cc(c(cc1I)Cl)N AS00468 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.69 c1cc(c(cc1I)F)Br AS00285 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.69 c1cc(c(cc1I)F)Cl AS03045 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.69 c1cc(c(cc1I)F)F AS03091 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.69 c1cc(c(cc1I)F)I AS02137 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.69 c1cc(c(cc1I)F)N AS00439 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.69 c1cc(c(cc1I)F)O AS05492 [1,1,0,0,0,0|1,0,0]=3 868 B9R1.69 c1cc(c(cc1I)N)N AS05687 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.69 c1cc(c(cc1I)O)Cl AS03072 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.69 c1cc(c(cc1I)O)I AS06590 [1,1,0,0,0,0|2,0,0]=4 871 B9R1.69 c1cc(c(cc1N)Br)Cl AS03116 [1,1,0,0,0,0|2,0,0]=4 872 B9R1.69 c1cc(c(cc1N)Br)Cl AS03684 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.69 c1cc(c(cc1N)Br)F AS03266 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.69 c1cc(c(cc1N)Br)F AS03685 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.69 c1cc(c(cc1N)Br)I AS03350 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.69 c1cc(c(cc1N)Br)N AS05681 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.69 c1cc(c(cc1N)Cl)Br AS01554 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.69 c1cc(c(cc1N)Cl)Cl AS01525 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.69 c1cc(c(cc1N)Cl)F AS00440 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.69 c1cc(c(cc1N)Cl)I AS03051 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.69 c1cc(c(cc1N)Cl)O AS06870 [1,1,0,0,0,0|1,0,0]=3 882 B9R1.69 c1cc(c(cc1N)F)Br AS03869 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.69 c1cc(c(cc1N)F)Cl AS00336 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.69 c1cc(c(cc1N)F)F AS00794 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.69 c1cc(c(cc1N)F)F AS01536 [1,1,0,0,0,0|2,0,0]=4 886 B9R1.69 c1cc(c(cc1N)F)F AS04472 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.69 c1cc(c(cc1N)F)F AS05352 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.69 c1cc(c(cc1N)F)I AS04079 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.69 c1cc(c(cc1N)F)O AS01350 [1,1,0,0,0,0|1,0,0]=3 890 B9R1.69 c1cc(c(cc1N)N)Br AS05680 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.69 c1cc(c(cc1N)N)F AS01546 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.69 c1cc(c(cc1N)O)Cl AS05416 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.69 c1cc(c(cc1O)Br)Br AS03581 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.69 c1cc(c(cc1O)Br)Cl AS03167 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.69 c1cc(c(cc1O)Br)F AS00390 [1,1,0,0,0,0|1,0,0]=3 896 B9R1.69 c1cc(c(cc1O)Cl)Br AS00225 [1,1,0,0,0,0|1,0,0]=3 897 B9R1.69 c1cc(c(cc1O)Cl)Cl AS00195 [1,1,0,0,0,0|1,0,0]=3 898 B9R1.69 c1cc(c(cc1O)Cl)F AS00392 [1,1,0,0,0,0|1,0,0]=3 899 B9R1.69 c1cc(c(cc1O)Cl)I AS06504 [1,1,0,0,0,0|1,0,0]=3 900 B9R1.69 c1cc(c(cc1O)Cl)N AS05415 [1,1,0,0,0,0|1,0,0]=3 901 B9R1.69 c1cc(c(cc1O)Cl)N AS06974 [1,1,0,0,0,0|1,0,0]=3 902 B9R1.69 c1cc(c(cc1O)Cl)O AS02779 [1,1,0,0,0,0|1,0,0]=3 903 B9R1.69 c1cc(c(cc1O)F)Br AS00389 [1,1,0,0,0,0|1,0,0]=3 904 B9R1.69 c1cc(c(cc1O)F)Cl AS00396 [1,1,0,0,0,0|1,0,0]=3 905 B9R1.69 c1cc(c(cc1O)F)F AS00210 [1,1,0,0,0,0|1,0,0]=3 906 B9R1.69 c1cc(c(cc1O)F)I AS06570 [1,1,0,0,0,0|1,0,0]=3 907 B9R1.69 c1cc(c(cc1O)F)N AS01351 [1,1,0,0,0,0|1,0,0]=3 908 B9R1.69 c1cc(c(cc1O)I)Cl AS03073 [1,1,0,0,0,0|1,0,0]=3 909 B9R1.69 c1cc(c(cc1O)I)Cl AS05469 [1,1,0,0,0,0|1,0,0]=3 910 B9R1.69 c1cc(c(cc1O)N)F AS01349 [1,1,0,0,0,0|1,0,0]=3 911 B9R1.69 c1cc(c(cc1O)O)F AS05497 [1,1,0,0,0,0|1,0,0]=3 912 B9R1.69 c1cc(c(cc1O)O)N AS05427 [1,1,0,0,0,0|1,0,0]=3 913 B9R1.69 c1cc(c(cc1O)O)O AS00200 [1,1,0,0,0,0|1,0,0]=3 914 B9R1.69 c1cc(c(cc1S)Cl)F AS05518 [1,1,0,0,0,0|1,1,0]=4 915 B9R1.69 c1cc(c(cc1S)F)F AS05521 [1,1,0,0,0,0|1,1,0]=4 916 B11R1.1 COCCc1ccc(cc1)O AS00207 [0,2,0,0,0,0|0,0,2]=4 917 B11R1.20 CC(=O)Cc1ccc(cc1)F AS05241 [0,2,0,0,0,0|1,0,1]=4 918 B11R1.20 CC(=O)Nc1ccc(cc1)Br AS00912 [0,2,0,0,0,0|1,0,1]=4 919 B11R1.20 CC(=O)Nc1ccc(cc1)Cl AS02675 [0,2,0,0,0,0|1,0,1]=4 920 B11R1.20 CC(=O)Nc1ccc(cc1)F AS00825 [0,2,0,0,0,0|1,0,1]=4 921 B11R1.20 CC(=O)Nc1ccc(cc1)I AS02201 [0,2,0,0,0,0|1,0,1]=4 922 B11R1.20 CC(=O)Oc1ccc(cc1)Cl AS07036 [0,2,0,0,0,0|1,0,1]=4 923 B11R1.20 CC(=O)Oc1ccc(cc1)F AS02347 [0,2,0,0,0,0|1,0,1]=4 924 B11R1.20 Cc1ccc(cc1)NC(=O)C AS00879 [0,2,0,0,0,0|1,0,1]=4 925 B11R1.20 c1cc(ccc1CC(=O)O)Br AS00507 [0,2,0,0,0,0|1,0,1]=4 926 B11R1.20 c1cc(ccc1CC(=O)O)Cl AS05024 [0,2,0,0,0,0|1,0,1]=4 927 B11R1.20 c1cc(ccc1CC(=O)O)F AS00530 [0,2,0,0,0,0|1,0,1]=4 928 B11R1.20 c1cc(ccc1CC(=O)O)I AS00544 [0,2,0,0,0,0|1,0,1]=4 929 B11R1.20 c1cc(ccc1F)[ClH]C(=O)[O-] AS06245 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.20 c1cc(ccc1[ClH]C(=O)[O-])Br AS06247 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.22 CCC(=O)c1ccc(cc1)Br AS03828 [0,2,0,0,0,0|1,0,1]=4 932 B11R1.22 CCC(=O)c1ccc(cc1)Cl AS03849 [0,2,0,0,0,0|1,0,1]=4 933 B11R1.22 CCC(=O)c1ccc(cc1)F AS03904 [0,2,0,0,0,0|1,0,1]=4 934 B11R1.22 COC(=O)c1ccc(cc1)Br AS03617 [0,2,0,0,0,0|1,0,1]=4 935 B11R1.22 COC(=O)c1ccc(cc1)Cl AS02923 [0,2,0,0,0,0|1,0,1]=4 936 B11R1.22 COC(=O)c1ccc(cc1)F AS01318 [0,2,0,0,0,0|1,0,1]=4 937 B11R1.22 COC(=O)c1ccc(cc1)I AS02318 [0,2,0,0,0,0|1,0,1]=4 938 B11R1.22 COC(=O)c1ccc(cc1)O AS01626 [0,2,0,0,0,0|0,0,1]=3 939 B11R1.22 Cc1ccc(cc1)C(=O)CN AS05091 [0,2,0,0,0,0|1,0,1]=4 940 B11R1.22 Cc1ccc(cc1)C(=O)OC AS01339 [0,2,0,0,0,0|1,0,1]=4 941 B11R1.22 c1cc(ccc1C(=NO)N)F AS05619 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.22 c1cc(ccc1C(=O)CBr)Br AS05097 [0,2,0,0,0,0|1,0,1]=4 943 B11R1.22 c1cc(ccc1C(=O)CBr)Cl AS01180 [0,2,0,0,0,0|1,0,1]=4 944 B11R1.22 c1cc(ccc1C(=O)CBr)I AS05120 [0,2,0,0,0,0|1,0,1]=4 945 B11R1.22 c1cc(ccc1C(=O)CBr)N AS05064 [0,2,0,0,0,0|1,0,1]=4 946 B11R1.22 c1cc(ccc1C(=O)CCl)Br AS04020 [0,2,0,0,0,0|1,0,1]=4 947 B11R1.22 c1cc(ccc1C(=O)CCl)Br AS05102 [0,2,0,0,0,0|1,0,1]=4 948 B11R1.22 c1cc(ccc1C(=O)CCl)Cl AS05154 [0,2,0,0,0,0|1,0,1]=4 949 B11R1.22 c1cc(ccc1C(=O)CCl)O AS05143 [0,2,0,0,0,0|0,0,1]=3 950 B11R1.22 c1cc(ccc1C(=O)CN)Br AS05065 [0,2,0,0,0,0|1,0,1]=4 951 B11R1.22 c1cc(ccc1C(=O)CN)Cl AS05073 [0,2,0,0,0,0|1,0,1]=4 952 B11R1.22 c1cc(ccc1C(=O)CN)F AS05082 [0,2,0,0,0,0|1,0,1]=4 953 B11R1.22 c1cc(ccc1C(=O)NN)Br AS00928 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.22 c1cc(ccc1C(=O)NN)Cl AS02684 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.22 c1cc(ccc1C(=O)NN)F AS00306 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.22 c1cc(ccc1C(=O)NN)I AS02957 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.22 c1cc(ccc1C(=O)NN)O AS00896 [0,2,0,0,0,0|1,0,0]=3 958 B11R1.81 CCCc1ccc(cc1O)O AS06999 [0,2,0,0,0,0|0,0,2]=4 959 B11R1.83 CCOc1ccc(cc1)CO AS05972 [0,2,0,0,0,0|0,0,2]=4 960 B11R1.83 COc1ccc(cc1)CC#N AS01654 [0,2,0,0,0,0|0,0,2]=4 961 B11R1.83 COc1ccc(cc1)CC=O AS04419 [0,2,0,0,0,0|0,0,1]=3 962 B11R1.83 c1cc(ccc1CCO)C=O AS04409 [0,2,0,0,0,0|1,0,0]=3 963 B11R1.3 CC(=O)c1ccc(cc1)C#N AS05151 [0,2,0,0,0,0|1,0,1]=4 964 B11R1.3 CC(C)c1ccc(cc1)OC AS01008 [0,2,0,0,0,0|0,0,2]=4 965 B11R1.3 CC(c1ccc(cc1)OC)N AS04622 [0,2,0,0,0,0|0,0,2]=4 966 B11R1.3 CCc1ccc(cc1)C(=O)C AS03877 [0,2,0,0,0,0|1,0,1]=4 967 B11R1.3 CN(C)c1ccc(cc1)C=O AS02845 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.3 CN(C)c1ccc(cc1)OC AS04610 [0,2,0,0,0,0|1,0,1]=4 969 B11R1.3 COc1ccc(cc1)C(=O)Cl AS00015 [0,2,0,0,0,0|1,0,0]=3 970 B11R1.3 COc1ccc(cc1)C(=O)O AS00727 [0,2,0,0,0,0|1,0,0]=3 971 B11R1.3 COc1ccc(cc1)C(=O)O AS03913 [0,2,0,0,0,0|1,0,0]=3 972 B11R1.3 COc1ccc(cc1)[N+](=O)[O-] AS01804 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.3 COc1ccc(cn1)C(=O)O AS01298 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.3 C[C@H](c1ccc(cc1)OC)N AS04502 [0,2,0,0,0,0|0,0,2]=4 975 B11R1.3 c1cc(ccc1C(=O)O)NN AS06885 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.3 c1cc(ccc1C(=O)O)NN AS06946 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.3 c1cc(ccc1C=O)C(=O)O AS00836 [0,2,0,0,0,0|1,0,0]=3 978 B11R1.3 c1cc(ccc1C=O)[N+](=O)[O-] AS02852 [0,2,0,0,0,0|1,0,1]=4 979 B11R1.3 c1cc(ccc1CBr)C(=O)O AS00835 [0,2,0,0,0,0|1,0,1]=4 980 B11R1.3 c1cc(ccc1CCl)C(=O)O AS00731 [0,2,0,0,0,0|1,0,1]=4 981 B11R1.3 c1cc(ccc1CN)C(=O)O AS06858 [0,2,0,0,0,0|1,0,1]=4 982 B11R1.3 c1cc(ccc1CO)[N+](=O)[O-] AS00573 [0,2,0,0,0,0|2,0,0]=4 983 B11R1.279 COc1ccc(c(c1)Br)C=O AS05539 [0,2,0,0,0,0|1,0,0]=3 984 B11R1.279 COc1ccc(c(c1)Br)OC AS06963 [0,2,0,0,0,0|1,0,1]=4 985 B11R1.279 COc1ccc(c(c1)Cl)C#N AS01648 [0,2,0,0,0,0|1,0,1]=4 986 B11R1.279 COc1ccc(c(c1)Cl)C=O AS05556 [0,2,0,0,0,0|1,0,0]=3 987 B11R1.279 COc1ccc(c(c1)F)C#N AS02602 [0,2,0,0,0,0|1,0,1]=4 988 B11R1.279 COc1ccc(c(c1)F)C#N AS04965 [0,2,0,0,0,0|1,0,1]=4 989 B11R1.279 COc1ccc(c(c1)F)C=O AS03035 [0,2,0,0,0,0|1,0,0]=3 990 B11R1.279 COc1ccc(c(c1)F)CBr AS07192 [0,2,0,0,0,0|1,0,1]=4 991 B11R1.279 COc1ccc(c(c1)F)CCl AS00667 [0,2,0,0,0,0|1,0,1]=4 992 B11R1.279 COc1ccc(c(c1)F)CN AS02606 [0,2,0,0,0,0|1,0,1]=4 993 B11R1.279 COc1ccc(c(c1)F)CO AS03980 [0,2,0,0,0,0|1,0,1]=4 994 B11R1.279 COc1ccc(c(c1)F)NN AS06155 [0,2,0,0,0,0|2,0,0]=4 995 B11R1.279 COc1ccc(c(c1)F)OC AS02400 [0,2,0,0,0,0|1,0,1]=4 996 B11R1.279 COc1ccc(c(c1)I)C#N AS06294 [0,2,0,0,0,0|1,0,1]=4 997 B11R1.279 COc1ccc(c(c1)O)C#N AS06261 [0,2,0,0,0,0|1,0,1]=4 998 B11R1.279 COc1ccc(c(c1)O)OC AS06540 [0,2,0,0,0,0|1,0,1]=4 999 B11R1.279 COc1ccc(cc1Br)C#N AS03707 [0,2,0,0,0,0|1,0,1]=4 1000 B11R1.279 COc1ccc(cc1Br)C=O AS03008 [0,2,0,0,0,0|1,0,0]=3 1001 B11R1.279 COc1ccc(cc1Br)CN AS03398 [0,2,0,0,0,0|1,0,1]=4 1002 B11R1.279 COc1ccc(cc1Br)CO AS03961 [0,2,0,0,0,0|1,0,1]=4 1003 B11R1.279 COc1ccc(cc1Cl)C#N AS03721 [0,2,0,0,0,0|1,0,1]=4 1004 B11R1.279 COc1ccc(cc1Cl)C=O AS03845 [0,2,0,0,0,0|1,0,0]=3 1005 B11R1.279 COc1ccc(cc1Cl)C=O AS05559 [0,2,0,0,0,0|1,0,0]=3 1006 B11R1.279 COc1ccc(cc1Cl)CN AS02796 [0,2,0,0,0,0|1,0,1]=4 1007 B11R1.279 COc1ccc(cc1Cl)CO AS03969 [0,2,0,0,0,0|1,0,1]=4 1008 B11R1.279 COc1ccc(cc1F)C#N AS03741 [0,2,0,0,0,0|1,0,1]=4 1009 B11R1.279 COc1ccc(cc1F)C=O AS03032 [0,2,0,0,0,0|1,0,0]=3 1010 B11R1.279 COc1ccc(cc1F)CBr AS00641 [0,2,0,0,0,0|1,0,1]=4 1011 B11R1.279 COc1ccc(cc1F)CCl AS00669 [0,2,0,0,0,0|1,0,1]=4 1012 B11R1.279 COc1ccc(cc1F)CN AS02608 [0,2,0,0,0,0|1,0,1]=4 1013 B11R1.279 COc1ccc(cc1I)C#N AS03753 [0,2,0,0,0,0|1,0,1]=4 1014 B11R1.279 COc1ccc(cc1I)C=O AS03921 [0,2,0,0,0,0|1,0,0]=3 1015 B11R1.279 COc1ccc(cc1I)CN AS02248 [0,2,0,0,0,0|1,0,1]=4 1016 B11R1.279 COc1ccc(cc1I)CO AS03988 [0,2,0,0,0,0|1,0,1]=4 1017 B11R1.279 COc1ccc(cc1O)C#N AS02385 [0,2,0,0,0,0|1,0,1]=4 1018 B11R1.279 Cc1cc(ccc1C#N)OC AS07023 [0,2,0,0,0,0|1,0,1]=4 1019 B11R1.279 Cc1cc(ccc1C=O)OC AS02210 [0,2,0,0,0,0|1,0,0]=3 1020 B11R1.279 Cc1cc(ccc1C=O)OC AS07028 [0,2,0,0,0,0|1,0,0]=3 1021 B11R1.279 Cc1cc(ccc1OC)C#N AS03767 [0,2,0,0,0,0|1,0,1]=4 1022 B11R1.279 Cc1cc(ccc1OC)C=O AS02783 [0,2,0,0,0,0|1,0,0]=3 1023 B11R1.279 Cc1cc(ccc1OC)OC AS02031 [0,2,0,0,0,0|1,0,1]=4 1024 B11R1.279 c1cc(c(cc1C#N)Br)C=O AS06403 [0,2,0,0,0,0|2,0,0]=4 1025 B11R1.279 c1cc(c(cc1C#N)F)C=O AS02791 [0,2,0,0,0,0|2,0,0]=4 1026 B11R1.19 CC(C)(C)c1ccc(cc1)O AS00221 [0,2,0,0,0,0|0,0,2]=4 1027 B11R1.19 c1cc(ccc1C(F)(F)F)O AS01417 [0,2,0,0,0,0|1,0,1]=4 1028 B11R1.19 c1cc(ccc1O)S(=O)(=O)Cl AS06995 [0,2,0,0,0,0|2,0,0]=4 1029 B11R1.21 CC(=O)c1ccc(c(c1)Br)Br AS03854 [0,2,0,0,0,0|1,0,1]=4 1030 B11R1.21 CC(=O)c1ccc(c(c1)Br)Cl AS05101 [0,2,0,0,0,0|1,0,1]=4 1031 B11R1.21 CC(=O)c1ccc(c(c1)Br)F AS01132 [0,2,0,0,0,0|1,0,1]=4 1032 B11R1.21 CC(=O)c1ccc(c(c1)Br)N AS05067 [0,2,0,0,0,0|1,0,1]=4 1033 B11R1.21 CC(=O)c1ccc(c(c1)Cl)Cl AS03863 [0,2,0,0,0,0|1,0,1]=4 1034 B11R1.21 CC(=O)c1ccc(c(c1)Cl)F AS01148 [0,2,0,0,0,0|1,0,1]=4 1035 B11R1.21 CC(=O)c1ccc(c(c1)Cl)O AS05145 [0,2,0,0,0,0|0,0,1]=3 1036 B11R1.21 CC(=O)c1ccc(c(c1)F)Br AS05111 [0,2,0,0,0,0|1,0,1]=4 1037 B11R1.21 CC(=O)c1ccc(c(c1)F)Cl AS01173 [0,2,0,0,0,0|1,0,1]=4 1038 B11R1.21 CC(=O)c1ccc(c(c1)F)F AS01192 [0,2,0,0,0,0|1,0,1]=4 1039 B11R1.21 CC(=O)c1ccc(c(c1)F)N AS01172 [0,2,0,0,0,0|1,0,1]=4 1040 B11R1.21 CC(=O)c1ccc(c(c1)F)O AS01203 [0,2,0,0,0,0|0,0,1]=3 1041 B11R1.21 CC(=O)c1ccc(c(c1)N)Cl AS05249 [0,2,0,0,0,0|1,0,1]=4 1042 B11R1.21 CC(=O)c1ccc(c(c1)N)F AS04017 [0,2,0,0,0,0|1,0,1]=4 1043 B11R1.21 CC(=O)c1ccc(c(c1)O)F AS03881 [0,2,0,0,0,0|1,0,1]=4 1044 B11R1.21 Cc1cc(ccc1Br)C(=O)C AS03824 [0,2,0,0,0,0|1,0,1]=4 1045 B11R1.21 Cc1cc(ccc1Br)C(=O)C AS05124 [0,2,0,0,0,0|1,0,1]=4 1046 B11R1.21 Cc1cc(ccc1Br)C(=O)N AS03423 [0,2,0,0,0,0|2,0,0]=4 1047 B11R1.21 Cc1cc(ccc1Br)C(=O)O AS02483 [0,2,0,0,0,0|2,0,0]=4 1048 B11R1.21 Cc1cc(ccc1Cl)C(=O)C AS03848 [0,2,0,0,0,0|1,0,1]=4 1049 B11R1.21 Cc1cc(ccc1Cl)C(=O)N AS02813 [0,2,0,0,0,0|2,0,0]=4 1050 B11R1.21 Cc1cc(ccc1Cl)C(=O)O AS00788 [0,2,0,0,0,0|2,0,0]=4 1051 B11R1.21 Cc1cc(ccc1F)C(=O)C AS05267 [0,2,0,0,0,0|1,0,1]=4 1052 B11R1.21 Cc1cc(ccc1F)C(=O)Cl AS00026 [0,2,0,0,0,0|2,0,0]=4 1053 B11R1.21 Cc1cc(ccc1F)C(=O)O AS01875 [0,2,0,0,0,0|2,0,0]=4 1054 B11R1.21 Cc1cc(ccc1I)C(=O)N AS02260 [0,2,0,0,0,0|2,0,0]=4 1055 B11R1.21 Cc1cc(ccc1I)C(=O)O AS02265 [0,2,0,0,0,0|2,0,0]=4 1056 B11R1.21 Cc1cc(ccc1N)C(=O)O AS01122 [0,2,0,0,0,0|2,0,0]=4 1057 B11R1.21 Cc1cc(ccc1O)C(=O)C AS04503 [0,2,0,0,0,0|0,0,1]=3 1058 B11R1.21 Cc1cc(ccc1O)C(=O)O AS00899 [0,2,0,0,0,0|1,0,0]=3 1059 B11R1.21 Cc1ccc(cc1Br)C(=O)C AS03823 [0,2,0,0,0,0|1,0,1]=4 1060 B11R1.21 Cc1ccc(cc1Br)C(=O)N AS03422 [0,2,0,0,0,0|2,0,0]=4 1061 B11R1.21 Cc1ccc(cc1Br)C(=O)O AS02482 [0,2,0,0,0,0|2,0,0]=4 1062 B11R1.21 Cc1ccc(cc1C)C(=O)C AS03873 [0,2,0,0,0,0|1,0,1]=4 1063 B11R1.21 Cc1ccc(cc1C)C(=O)O AS00741 [0,2,0,0,0,0|2,0,0]=4 1064 B11R1.21 Cc1ccc(cc1Cl)C(=O)O AS00790 [0,2,0,0,0,0|2,0,0]=4 1065 B11R1.21 Cc1ccc(cc1F)C(=O)C AS05187 [0,2,0,0,0,0|1,0,1]=4 1066 B11R1.21 Cc1ccc(cc1F)C(=O)O AS02484 [0,2,0,0,0,0|2,0,0]=4 1067 B11R1.21 Cc1ccc(cc1I)C(=O)C AS03923 [0,2,0,0,0,0|1,0,1]=4 1068 B11R1.21 Cc1ccc(cc1I)C(=O)N AS02259 [0,2,0,0,0,0|2,0,0]=4 1069 B11R1.21 Cc1ccc(cc1I)C(=O)O AS02264 [0,2,0,0,0,0|2,0,0]=4 1070 B11R1.21 Cc1ccc(cc1O)C(=O)C AS05196 [0,2,0,0,0,0|1,0,1]=4 1071 B11R1.21 Cc1ccc(cc1O)C(=O)O AS01294 [0,2,0,0,0,0|2,0,0]=4 1072 B11R1.21 c1cc(c(cc1C(=O)Cl)Br)F AS00045 [0,2,0,0,0,0|2,0,0]=4 1073 B11R1.21 c1cc(c(cc1C(=O)Cl)Cl)F AS00038 [0,2,0,0,0,0|2,0,0]=4 1074 B11R1.21 c1cc(c(cc1C(=O)Cl)F)F AS00035 [0,2,0,0,0,0|2,0,0]=4 1075 B11R1.21 c1cc(c(cc1C(=O)N)Cl)Cl AS02860 [0,2,0,0,0,0|2,0,0]=4 1076 B11R1.21 c1cc(c(cc1C(=O)N)F)F AS00797 [0,2,0,0,0,0|2,0,0]=4 1077 B11R1.21 c1cc(c(cc1C(=O)O)Br)Br AS03516 [0,2,0,0,0,0|2,0,0]=4 1078 B11R1.21 c1cc(c(cc1C(=O)O)Br)Cl AS00750 [0,2,0,0,0,0|2,0,0]=4 1079 B11R1.21 c1cc(c(cc1C(=O)O)Br)F AS00969 [0,2,0,0,0,0|2,0,0]=4 1080 B11R1.21 c1cc(c(cc1C(=O)O)Br)I AS03364 [0,2,0,0,0,0|2,0,0]=4 1081 B11R1.21 c1cc(c(cc1C(=O)O)Br)I AS04475 [0,2,0,0,0,0|2,0,0]=4 1082 B11R1.21 c1cc(c(cc1C(=O)O)Br)N AS00983 [0,2,0,0,0,0|2,0,0]=4 1083 B11R1.21 c1cc(c(cc1C(=O)O)Cl)Cl AS00789 [0,2,0,0,0,0|2,0,0]=4 1084 B11R1.21 c1cc(c(cc1C(=O)O)Cl)F AS00963 [0,2,0,0,0,0|2,0,0]=4 1085 B11R1.21 c1cc(c(cc1C(=O)O)Cl)N AS00982 [0,2,0,0,0,0|2,0,0]=4 1086 B11R1.21 c1cc(c(cc1C(=O)O)F)Br AS00972 [0,2,0,0,0,0|2,0,0]=4 1087 B11R1.21 c1cc(c(cc1C(=O)O)F)Cl AS02731 [0,2,0,0,0,0|2,0,0]=4 1088 B11R1.21 c1cc(c(cc1C(=O)O)F)F AS00851 [0,2,0,0,0,0|2,0,0]=4 1089 B11R1.21 c1cc(c(cc1C(=O)O)F)N AS00977 [0,2,0,0,0,0|2,0,0]=4 1090 B11R1.21 c1cc(c(cc1C(=O)O)F)O AS01857 [0,2,0,0,0,0|1,0,0]=3 1091 B11R1.21 c1cc(c(cc1C(=O)O)I)Br AS06467 [0,2,0,0,0,0|2,0,0]=4 1092 B11R1.21 c1cc(c(cc1C(=O)O)I)Cl AS06466 [0,2,0,0,0,0|2,0,0]=4 1093 B11R1.21 c1cc(c(cc1C(=O)O)I)F AS02183 [0,2,0,0,0,0|2,0,0]=4 1094 B11R1.21 c1cc(c(cc1C(=O)O)I)F AS06468 [0,2,0,0,0,0|2,0,0]=4 1095 B11R1.21 c1cc(c(cc1C(=O)O)I)I AS06469 [0,2,0,0,0,0|2,0,0]=4 1096 B11R1.21 c1cc(c(cc1C(=O)O)N)Br AS00868 [0,2,0,0,0,0|2,0,0]=4 1097 B11R1.21 c1cc(c(cc1C(=O)O)N)Cl AS00844 [0,2,0,0,0,0|2,0,0]=4 1098 B11R1.21 c1cc(c(cc1C(=O)O)N)F AS00976 [0,2,0,0,0,0|2,0,0]=4 1099 B11R1.21 c1cc(c(cc1C(=O)O)N)N AS04450 [0,2,0,0,0,0|2,0,0]=4 1100 B11R1.21 c1cc(c(cc1C(=O)O)N)O AS00843 [0,2,0,0,0,0|1,0,0]=3 1101 B11R1.21 c1cc(c(cc1C(=O)O)O)Br AS06643 [0,2,0,0,0,0|2,0,0]=4 1102 B11R1.21 c1cc(c(cc1C(=O)O)O)F AS01859 [0,2,0,0,0,0|2,0,0]=4 1103 B11R1.21 c1cc(c(cc1C(=O)O)O)N AS00858 [0,2,0,0,0,0|2,0,0]=4 1104 B11R1.21 c1cc(c(cc1C(=O)[O-])F)F AS00781 [0,2,0,0,0,0|2,0,0]=4 1105 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Br)O AS00229 [0,2,0,0,0,0|2,0,0]=4 1106 B11R1.21 c1cc(c(cc1[N+](=O)[O-])Cl)O AS00165 [0,2,0,0,0,0|2,0,0]=4 1107 B11R1.21 c1cc(c(cc1[N+](=O)[O-])F)O AS00186 [0,2,0,0,0,0|2,0,0]=4 1108 B11R1.166 B(c1ccc(cc1C)O)(O)O AS07187 [0,2,0,0,0,0|2,0,0]=4 1109 B11R1.166 CC(=O)c1ccc(cc1Br)Br AS03852 [0,2,0,0,0,0|1,0,1]=4 1110 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01149 [0,2,0,0,0,0|1,0,1]=4 1111 B11R1.166 CC(=O)c1ccc(cc1Br)F AS01174 [0,2,0,0,0,0|1,0,1]=4 1112 B11R1.166 CC(=O)c1ccc(cc1Br)N AS05248 [0,2,0,0,0,0|1,0,1]=4 1113 B11R1.166 CC(=O)c1ccc(cc1Br)O AS05117 [0,2,0,0,0,0|0,0,1]=3 1114 B11R1.166 CC(=O)c1ccc(cc1Cl)Cl AS03861 [0,2,0,0,0,0|1,0,1]=4 1115 B11R1.166 CC(=O)c1ccc(cc1Cl)F AS04025 [0,2,0,0,0,0|1,0,1]=4 1116 B11R1.166 CC(=O)c1ccc(cc1Cl)N AS05072 [0,2,0,0,0,0|1,0,1]=4 1117 B11R1.166 CC(=O)c1ccc(cc1Cl)O AS05144 [0,2,0,0,0,0|0,0,1]=3 1118 B11R1.166 CC(=O)c1ccc(cc1Cl)O AS05258 [0,2,0,0,0,0|0,0,1]=3 1119 B11R1.166 CC(=O)c1ccc(cc1F)Br AS01131 [0,2,0,0,0,0|1,0,1]=4 1120 B11R1.166 CC(=O)c1ccc(cc1F)Cl AS04005 [0,2,0,0,0,0|1,0,1]=4 1121 B11R1.166 CC(=O)c1ccc(cc1F)F AS01190 [0,2,0,0,0,0|1,0,1]=4 1122 B11R1.166 CC(=O)c1ccc(cc1F)O AS01200 [0,2,0,0,0,0|0,0,1]=3 1123 B11R1.166 CC(=O)c1ccc(cc1N)F AS06564 [0,2,0,0,0,0|1,0,1]=4 1124 B11R1.166 CC(=O)c1ccc(cc1O)Cl AS05146 [0,2,0,0,0,0|1,0,1]=4 1125 B11R1.166 CC(=O)c1ccc(cc1O)F AS01201 [0,2,0,0,0,0|1,0,1]=4 1126 B11R1.166 CC(=O)c1ccc(cc1O)N AS05250 [0,2,0,0,0,0|1,0,1]=4 1127 B11R1.166 CC(=O)c1ccc(cc1O)O AS01140 [0,2,0,0,0,0|0,0,1]=3 1128 B11R1.166 CC(C)c1ccc(cc1O)O AS07039 [0,2,0,0,0,0|0,0,2]=4 1129 B11R1.166 Cc1cc(ccc1C(=O)C)Cl AS05148 [0,2,0,0,0,0|1,0,1]=4 1130 B11R1.166 Cc1cc(ccc1C(=O)C)F AS01144 [0,2,0,0,0,0|1,0,1]=4 1131 B11R1.166 Cc1cc(ccc1C(=O)C)F AS03900 [0,2,0,0,0,0|1,0,1]=4 1132 B11R1.166 Cc1cc(ccc1C(=O)C)O AS04594 [0,2,0,0,0,0|0,0,1]=3 1133 B11R1.166 Cc1cc(ccc1C(=O)O)Br AS01811 [0,2,0,0,0,0|2,0,0]=4 1134 B11R1.166 Cc1cc(ccc1C(=O)O)Cl AS00772 [0,2,0,0,0,0|2,0,0]=4 1135 B11R1.166 Cc1cc(ccc1C(=O)O)F AS01874 [0,2,0,0,0,0|2,0,0]=4 1136 B11R1.166 Cc1cc(ccc1C(=O)O)F AS04999 [0,2,0,0,0,0|2,0,0]=4 1137 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])O AS00180 [0,2,0,0,0,0|2,0,0]=4 1138 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O AS00875 [0,2,0,0,0,0|2,0,0]=4 1139 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl AS00021 [0,2,0,0,0,0|2,0,0]=4 1140 B11R1.166 Cc1ccc(c(c1)C)C(=O)O AS03894 [0,2,0,0,0,0|2,0,0]=4 1141 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O AS00152 [0,2,0,0,0,0|2,0,0]=4 1142 B11R1.166 Cc1ccc(c(c1)F)C(=O)O AS00764 [0,2,0,0,0,0|2,0,0]=4 1143 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [0,2,0,0,0,0|2,0,0]=4 1144 B11R1.166 Cc1ccc(c(c1)O)C(=O)C AS05195 [0,2,0,0,0,0|1,0,1]=4 1145 B11R1.166 c1cc(c(cc1Br)Br)C(=O)N AS05890 [0,2,0,0,0,0|2,0,0]=4 1146 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O AS03514 [0,2,0,0,0,0|2,0,0]=4 1147 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS01793 [0,2,0,0,0,0|2,0,0]=4 1148 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O AS03132 [0,2,0,0,0,0|2,0,0]=4 1149 B11R1.166 c1cc(c(cc1Br)F)C(=O)Cl AS00047 [0,2,0,0,0,0|2,0,0]=4 1150 B11R1.166 c1cc(c(cc1Br)F)C(=O)O AS03290 [0,2,0,0,0,0|2,0,0]=4 1151 B11R1.166 c1cc(c(cc1Br)I)C(=O)O AS00147 [0,2,0,0,0,0|2,0,0]=4 1152 B11R1.166 c1cc(c(cc1Br)N)C(=O)O AS00990 [0,2,0,0,0,0|2,0,0]=4 1153 B11R1.166 c1cc(c(cc1Br)O)C(=O)N AS03343 [0,2,0,0,0,0|2,0,0]=4 1154 B11R1.166 c1cc(c(cc1Br)O)C(=O)O AS00769 [0,2,0,0,0,0|2,0,0]=4 1155 B11R1.166 c1cc(c(cc1Cl)Br)C(=O)O AS03128 [0,2,0,0,0,0|2,0,0]=4 1156 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O AS00780 [0,2,0,0,0,0|2,0,0]=4 1157 B11R1.166 c1cc(c(cc1Cl)F)C(=O)Cl AS00041 [0,2,0,0,0,0|2,0,0]=4 1158 B11R1.166 c1cc(c(cc1Cl)F)C(=O)O AS02730 [0,2,0,0,0,0|2,0,0]=4 1159 B11R1.166 c1cc(c(cc1Cl)I)C(=O)O AS03067 [0,2,0,0,0,0|2,0,0]=4 1160 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N AS05883 [0,2,0,0,0,0|2,0,0]=4 1161 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O AS00756 [0,2,0,0,0,0|2,0,0]=4 1162 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O AS02762 [0,2,0,0,0,0|2,0,0]=4 1163 B11R1.166 c1cc(c(cc1F)Br)C(=O)Cl AS00048 [0,2,0,0,0,0|2,0,0]=4 1164 B11R1.166 c1cc(c(cc1F)Br)C(=O)O AS00970 [0,2,0,0,0,0|2,0,0]=4 1165 B11R1.166 c1cc(c(cc1F)Cl)C(=O)Cl AS00039 [0,2,0,0,0,0|2,0,0]=4 1166 B11R1.166 c1cc(c(cc1F)Cl)C(=O)O AS00965 [0,2,0,0,0,0|2,0,0]=4 1167 B11R1.166 c1cc(c(cc1F)F)C(=O)Cl AS00033 [0,2,0,0,0,0|2,0,0]=4 1168 B11R1.166 c1cc(c(cc1F)F)C(=O)N AS00796 [0,2,0,0,0,0|2,0,0]=4 1169 B11R1.166 c1cc(c(cc1F)F)C(=O)O AS00811 [0,2,0,0,0,0|2,0,0]=4 1170 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] AS00779 [0,2,0,0,0,0|2,0,0]=4 1171 B11R1.166 c1cc(c(cc1F)I)C(=O)O AS00944 [0,2,0,0,0,0|2,0,0]=4 1172 B11R1.166 c1cc(c(cc1F)N)C(=O)O AS00975 [0,2,0,0,0,0|2,0,0]=4 1173 B11R1.166 c1cc(c(cc1F)O)C(=O)O AS01858 [0,2,0,0,0,0|2,0,0]=4 1174 B11R1.166 c1cc(c(cc1I)Cl)C(=O)O AS03064 [0,2,0,0,0,0|2,0,0]=4 1175 B11R1.166 c1cc(c(cc1I)F)C(=O)O AS01860 [0,2,0,0,0,0|2,0,0]=4 1176 B11R1.166 c1cc(c(cc1I)O)C(=O)O AS02196 [0,2,0,0,0,0|2,0,0]=4 1177 B11R1.166 c1cc(c(cc1N)F)C(=O)O AS01776 [0,2,0,0,0,0|2,0,0]=4 1178 B11R1.166 c1cc(c(cc1O)Cl)[N+](=O)[O-] AS05471 [0,2,0,0,0,0|2,0,0]=4 1179 B11R1.166 c1cc(c(cc1O)F)C(=O)O AS01854 [0,2,0,0,0,0|1,0,0]=3 1180 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] AS00185 [0,2,0,0,0,0|2,0,0]=4 1181 B11R1.166 c1cc(c(cc1O)I)C(=O)O AS06293 [0,2,0,0,0,0|1,0,0]=3 1182 B11R1.166 c1cc(c(cc1O)O)C(=O)O AS00962 [0,2,0,0,0,0|1,0,0]=3 1183 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] AS06332 [0,2,0,0,0,0|2,0,0]=4 1184 B11R1.37 CCc1cc(ccc1C=O)O AS06473 [0,2,0,0,0,0|1,0,0]=3 1185 B11R1.37 CCc1ccc(cc1CC)O AS07216 [0,2,0,0,0,0|0,0,2]=4 1186 B11R1.37 COc1cc(ccc1C#C)O AS07209 [0,2,0,0,0,0|0,0,2]=4 1187 B11R1.37 COc1cc(ccc1C#N)O AS06316 [0,2,0,0,0,0|1,0,1]=4 1188 B11R1.37 COc1cc(ccc1C=O)Br AS02782 [0,2,0,0,0,0|2,0,0]=4 1189 B11R1.37 COc1cc(ccc1C=O)Cl AS03934 [0,2,0,0,0,0|2,0,0]=4 1190 B11R1.37 COc1cc(ccc1C=O)Cl AS05560 [0,2,0,0,0,0|2,0,0]=4 1191 B11R1.37 COc1cc(ccc1C=O)F AS03036 [0,2,0,0,0,0|2,0,0]=4 1192 B11R1.37 COc1cc(ccc1C=O)O AS06309 [0,2,0,0,0,0|1,0,0]=3 1193 B11R1.37 COc1ccc(cc1OC)O AS01392 [0,2,0,0,0,0|1,0,1]=4 1194 B11R1.37 Cc1ccc(c(c1)C#N)C=O AS06373 [0,2,0,0,0,0|2,0,0]=4 1195 B11R1.277 Cc1cc(c(cc1Br)C=O)F AS04973 [0,2,0,0,0,0|2,0,0]=4 1196 B11R1.277 Cc1cc(c(cc1Br)F)C=O AS01432 [0,2,0,0,0,0|2,0,0]=4 1197 B11R1.277 Cc1cc(c(cc1C=O)F)Br AS01431 [0,2,0,0,0,0|2,0,0]=4 1198 B11R1.277 Cc1cc(c(cc1Cl)C)C=O AS05551 [0,2,0,0,0,0|2,0,0]=4 1199 B11R1.277 Cc1cc(c(cc1Cl)C=O)O AS06664 [0,2,0,0,0,0|2,0,0]=4 1200 B11R1.277 Cc1cc(c(cc1F)Br)C=O AS04493 [0,2,0,0,0,0|2,0,0]=4 1201 B11R1.277 Cc1cc(c(cc1F)C=O)Br AS05536 [0,2,0,0,0,0|2,0,0]=4 1202 B11R1.277 Cc1cc(c(cc1F)C=O)O AS07166 [0,2,0,0,0,0|2,0,0]=4 1203 B11R1.277 Cc1cc(c(cc1O)C)C#N AS02575 [0,2,0,0,0,0|1,0,1]=4 1204 B11R1.277 Cc1cc(c(cc1O)C)C=O AS04410 [0,2,0,0,0,0|1,0,0]=3 1205 B11R1.277 c1c(c(cc(c1Cl)F)F)C=O AS05548 [0,2,0,0,0,0|2,0,0]=4 1206 B11R1.277 c1c(c(cc(c1F)Br)Cl)C=O AS04971 [0,2,0,0,0,0|2,0,0]=4 1207 B11R1.277 c1c(c(cc(c1F)Br)F)C=O AS05533 [0,2,0,0,0,0|2,0,0]=4 1208 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O AS05575 [0,2,0,0,0,0|2,0,0]=4 1209 B11R1.277 c1c(c(cc(c1F)Cl)F)C=O AS01436 [0,2,0,0,0,0|2,0,0]=4 1210 B11R1.277 c1c(c(cc(c1F)F)Br)C=O AS04967 [0,2,0,0,0,0|2,0,0]=4 1211 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O AS04974 [0,2,0,0,0,0|2,0,0]=4 1212 B11R1.277 c1c(c(cc(c1F)F)Cl)C=O AS05546 [0,2,0,0,0,0|2,0,0]=4 1213 B11R1.277 c1c(c(cc(c1F)F)F)C=O AS03366 [0,2,0,0,0,0|2,0,0]=4 1214 B11R1.277 c1c(c(cc(c1F)F)O)C=O AS05585 [0,2,0,0,0,0|2,0,0]=4 1215 B11R1.277 c1c(c(cc(c1F)O)F)C=O AS06311 [0,2,0,0,0,0|1,0,0]=3 1216 B11R1.278 c1cc(c(c(c1C#N)F)F)O AS01662 [0,2,0,0,0,0|1,0,1]=4 1217 B11R1.278 c1cc(c(c(c1C=O)F)F)Br AS05532 [0,2,0,0,0,0|2,0,0]=4 1218 B11R1.278 c1cc(c(c(c1C=O)F)F)F AS01487 [0,2,0,0,0,0|2,0,0]=4 1219 B11R1.278 c1cc(c(c(c1C=O)F)F)I AS05586 [0,2,0,0,0,0|2,0,0]=4 1220 B11R1.278 c1cc(c(c(c1C=O)F)F)O AS04607 [0,2,0,0,0,0|1,0,0]=3 1221 B11R1.278 c1cc(c(c(c1C=O)F)O)F AS05584 [0,2,0,0,0,0|2,0,0]=4 1222 B11R1.464 Cc1cc(c(c(c1)Cl)C=O)Cl AS04591 [0,2,0,0,0,0|2,0,0]=4 1223 B11R1.464 Cc1cc(c(c(c1)O)C=O)C AS05593 [0,2,0,0,0,0|2,0,0]=4 1224 B11R1.464 Cc1cc(cc(c1C=O)Br)F AS04427 [0,2,0,0,0,0|2,0,0]=4 1225 B11R1.464 Cc1cc(cc(c1C=O)C)F AS05591 [0,2,0,0,0,0|2,0,0]=4 1226 B11R1.464 Cc1cc(cc(c1C=O)C)O AS05592 [0,2,0,0,0,0|1,0,0]=3 1227 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)Br AS05530 [0,2,0,0,0,0|2,0,0]=4 1228 B11R1.464 c1c(cc(c(c1Cl)C=O)Cl)O AS05580 [0,2,0,0,0,0|1,0,0]=3 1229 B11R1.464 c1c(cc(c(c1F)C#N)F)O AS01699 [0,2,0,0,0,0|1,0,1]=4 1230 B11R1.464 c1c(cc(c(c1F)C=O)Cl)Cl AS05576 [0,2,0,0,0,0|2,0,0]=4 1231 B11R1.464 c1c(cc(c(c1F)C=O)F)Br AS01422 [0,2,0,0,0,0|2,0,0]=4 1232 B11R1.464 c1c(cc(c(c1F)C=O)F)Cl AS06494 [0,2,0,0,0,0|2,0,0]=4 1233 B11R1.464 c1c(cc(c(c1F)C=O)F)F AS01490 [0,2,0,0,0,0|2,0,0]=4 1234 B11R1.464 c1c(cc(c(c1F)C=O)F)F AS03380 [0,2,0,0,0,0|2,0,0]=4 1235 B11R1.14 Cc1cc(cc(c1Br)C)C=O AS05534 [0,2,0,0,0,0|2,0,0]=4 1236 B11R1.14 Cc1cc(cc(c1N)C)C=O AS04606 [0,2,0,0,0,0|2,0,0]=4 1237 B11R1.14 Cc1cc(cc(c1O)C)C=O AS06252 [0,2,0,0,0,0|1,0,0]=3 1238 B11R1.14 c1c(cc(c(c1Cl)F)Cl)C=O AS05579 [0,2,0,0,0,0|2,0,0]=4 1239 B11R1.14 c1c(cc(c(c1F)Cl)Cl)C=O AS05578 [0,2,0,0,0,0|2,0,0]=4 1240 B11R1.14 c1c(cc(c(c1F)F)F)C=O AS01491 [0,2,0,0,0,0|2,0,0]=4 1241 B11R1.14 c1c(cc(c(c1F)O)F)C#N AS05833 [0,2,0,0,0,0|1,0,1]=4 1242 B11R1.14 c1c(cc(c(c1I)O)I)C=O AS05589 [0,2,0,0,0,0|1,0,0]=3 1243 B11R1.14 c1c(cc(c(c1O)O)Br)C=O AS06342 [0,2,0,0,0,0|1,0,0]=3 1244 B11R1.280 CCc1cc(ccc1O)C=O AS06477 [0,2,0,0,0,0|1,0,0]=3 1245 B11R1.280 COc1cc(ccc1Cl)C=O AS02209 [0,2,0,0,0,0|2,0,0]=4 1246 B11R1.280 COc1cc(ccc1F)C=O AS03896 [0,2,0,0,0,0|2,0,0]=4 1247 B11R1.280 COc1cc(ccc1O)C#N AS03749 [0,2,0,0,0,0|1,0,1]=4 1248 B11R1.280 COc1ccc(c(c1)C=O)O AS02847 [0,2,0,0,0,0|1,0,1]=4 1249 B11R1.280 Cc1ccc(cc1OC)C=O AS03926 [0,2,0,0,0,0|2,0,0]=4 1250 B11R1.280 c1cc(c(cc1C#N)C=O)O AS06313 [0,2,0,0,0,0|1,0,1]=4 1251 B11R1.280 c1cc(c(cc1C=O)C#N)F AS02849 [0,2,0,0,0,0|2,0,0]=4 1252 B9R1.3 Cc1c(cccc1Cl)O AS02821 [0,0,1,1,0,0|1,0,1]=4 1253 B9R1.3 Cc1c(cccc1F)O AS01397 [0,0,1,1,0,0|1,0,1]=4 1254 B9R1.3 Cc1cccc(c1C)O AS00199 [0,0,1,1,0,0|0,0,2]=4 1255 B9R1.3 Cc1cccc(c1F)O AS01396 [0,0,1,1,0,0|1,0,1]=4 1256 B9R1.3 Cc1cccc(c1I)O AS06519 [0,0,1,1,0,0|1,0,1]=4 1257 B9R1.3 Cc1cccc(c1N)O AS05432 [0,0,1,1,0,0|1,0,1]=4 1258 B9R1.3 c1cc(c(c(c1)Br)Br)O AS05478 [0,0,1,1,0,0|2,0,0]=4 1259 B9R1.3 c1cc(c(c(c1)Br)Cl)O AS06539 [0,0,1,1,0,0|2,0,0]=4 1260 B9R1.3 c1cc(c(c(c1)Br)F)O AS05444 [0,0,1,1,0,0|2,0,0]=4 1261 B9R1.3 c1cc(c(c(c1)Br)I)O AS05449 [0,0,1,1,0,0|2,0,0]=4 1262 B9R1.3 c1cc(c(c(c1)Br)N)O AS05407 [0,0,1,1,0,0|2,0,0]=4 1263 B9R1.3 c1cc(c(c(c1)Cl)F)O AS01377 [0,0,1,1,0,0|2,0,0]=4 1264 B9R1.3 c1cc(c(c(c1)Cl)I)O AS05467 [0,0,1,1,0,0|2,0,0]=4 1265 B9R1.3 c1cc(c(c(c1)Cl)O)O AS06480 [0,0,1,1,0,0|2,0,0]=4 1266 B9R1.3 c1cc(c(c(c1)F)Br)O AS00201 [0,0,1,1,0,0|2,0,0]=4 1267 B9R1.3 c1cc(c(c(c1)F)Cl)O AS05465 [0,0,1,1,0,0|2,0,0]=4 1268 B9R1.3 c1cc(c(c(c1)F)F)O AS00198 [0,0,1,1,0,0|2,0,0]=4 1269 B9R1.3 c1cc(c(c(c1)F)O)O AS01419 [0,0,1,1,0,0|2,0,0]=4 1270 B9R1.3 c1cc(c(c(c1)O)Cl)O AS06479 [0,0,1,1,0,0|2,0,0]=4 1271 B9R1.3 c1cc(c(c(c1)O)F)O AS01418 [0,0,1,1,0,0|2,0,0]=4 1272 B11R2.36 Cc1ccc2c(c1)cco2 AS06433 [0,1,0,1,0,0|1,0,0]=3 1273 B11R2.36 Cc1ccc2ccsc2c1 AS06413 [0,1,0,1,0,0|1,0,0]=3 1274 B11R2.36 c1cc(cc2c1cc[nH]2)F AS02103 [0,1,0,1,0,0|1,0,0]=3 1275 B11R2.36 c1cc(cc2c1cco2)O AS06445 [0,1,0,1,0,0|0,0,0]=2 1276 B11R2.36 c1cc(cc2c1ccs2)Br AS06370 [0,1,0,1,0,0|1,0,0]=3 1277 B11R2.36 c1cc2c(cc1F)[nH]cn2 AS07084 [0,1,0,1,0,0|2,0,0]=4 1278 B11R2.36 c1cc2c(cc1N)nc[nH]2 AS06676 [0,1,0,1,0,0|2,0,0]=4 1279 B11R2.36 c1cc2c(cc[nH]2)cc1F AS02102 [0,1,0,1,0,0|1,0,0]=3 1280 B11R2.36 c1cc2c(cco2)cc1Br AS06418 [0,1,0,1,0,0|1,0,0]=3 1281 B11R2.36 c1cc2c(cco2)cc1Cl AS06428 [0,1,0,1,0,0|1,0,0]=3 1282 B11R2.36 c1cc2c(cco2)cc1F AS06429 [0,1,0,1,0,0|1,0,0]=3 1283 B11R2.36 c1cc2c(ccs2)cc1Br AS06396 [0,1,0,1,0,0|1,0,0]=3 1284 B7R1.1 c1cc([nH]c1)C=O AS06197 [1,0,0,0,1,0|2,0,0]=4