0 B8R1.2 COc1ccccc1 AS04310 [0,0,0,0,0,0|2,1,0]=3 1 B8R1.2 COc1ccccc1 AS06877 [0,0,0,0,0,0|2,1,0]=3 2 B8R1.2 COc1ccccn1 AS01009 [0,0,0,0,0,0|1,1,0]=2 3 B8R1.2 COc1cccnc1 AS01010 [0,0,0,0,0,0|1,1,0]=2 4 B8R1.2 COc1ccncc1 AS04953 [0,0,0,0,0,0|3,1,0]=4 5 B8R1.2 CSc1ccccc1 AS04279 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 c1ccc(cc1)C#N AS02370 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 c1ccc(cc1)CBr AS02048 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 c1ccc(cc1)CO AS04466 [0,0,0,0,0,0|4,0,0]=4 9 B8R1.2 c1ccc(cc1)N=O AS01444 [0,0,0,0,0,0|4,0,0]=4 10 B7R1.3 c1cc(cnc1)Br AS03469 [1,0,0,0,0,0|2,0,0]=3 11 B7R1.3 c1cc(cnc1)Cl AS02841 [1,0,0,0,0,0|2,0,0]=3 12 B7R1.3 c1cc(cnc1)F AS06189 [1,0,0,0,0,0|2,0,0]=3 13 B7R1.3 c1ccc(cc1)I AS02214 [1,0,0,0,0,0|3,0,0]=4 14 B7R1.3 c1ccc(cc1)I AS04509 [1,0,0,0,0,0|3,0,0]=4 15 B7R1.3 c1ccc(cc1)S AS04135 [1,0,0,0,0,0|2,0,0]=3 16 B7R1.3 c1ccnc(c1)Cl AS06184 [1,0,0,0,0,0|2,0,0]=3 17 B7R1.3 c1ccnc(c1)F AS04826 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 CCc1ccc(cc1)Br AS03254 [0,1,0,0,0,0|3,0,0]=4 19 B9R1.1 CCc1ccc(cc1)F AS04424 [0,1,0,0,0,0|3,0,0]=4 20 B9R1.1 CCc1ccc(cc1)I AS02159 [0,1,0,0,0,0|3,0,0]=4 21 B9R1.1 CNc1ccc(cc1)I AS05390 [0,1,0,0,0,0|3,0,0]=4 22 B9R1.1 COc1ccc(cc1)Br AS02358 [0,1,0,0,0,0|2,1,0]=4 23 B9R1.1 COc1ccc(cc1)Cl AS01802 [0,1,0,0,0,0|2,1,0]=4 24 B9R1.1 COc1ccc(cc1)F AS02586 [0,1,0,0,0,0|2,1,0]=4 25 B9R1.1 COc1ccc(cc1)I AS02208 [0,1,0,0,0,0|2,1,0]=4 26 B9R1.1 COc1ccc(cc1)O AS04576 [0,1,0,0,0,0|2,1,0]=4 27 B9R1.1 COc1ccc(cn1)Br AS03404 [0,1,0,0,0,0|1,1,0]=3 28 B9R1.1 COc1ccc(cn1)F AS04877 [0,1,0,0,0,0|1,1,0]=3 29 B9R1.1 COc1ccc(nc1)Br AS04912 [0,1,0,0,0,0|1,1,0]=3 30 B9R1.1 CSc1ccc(cc1)Br AS04293 [0,1,0,0,0,0|2,0,0]=3 31 B9R1.1 CSc1ccc(cc1)Cl AS04289 [0,1,0,0,0,0|2,0,0]=3 32 B9R1.1 CSc1ccc(cc1)F AS04286 [0,1,0,0,0,0|2,0,0]=3 33 B9R1.1 CSc1ccc(cc1)N AS04283 [0,1,0,0,0,0|2,0,0]=3 34 B9R1.1 Cc1ccc(cc1)SC AS04302 [0,1,0,0,0,0|2,0,0]=3 35 B9R1.1 Cc1ccc(nc1)C#N AS04709 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 c1cc(ncc1Br)C#N AS04632 [0,1,0,0,0,0|3,0,0]=4 37 B9R1.1 c1cc(ncc1C#N)Br AS04910 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 c1cc(ncc1C=O)Br AS06180 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.2 CCc1cccc(c1)Br AS03253 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.2 CCc1cccc(c1)N AS00465 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.2 CCc1cccc(c1)O AS04468 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.2 CNc1cccc(c1)O AS06505 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.2 COc1cc(ccn1)Br AS04921 [0,1,0,0,0,0|1,1,0]=3 44 B9R1.2 COc1cccc(c1)Br AS04314 [0,1,0,0,0,0|2,1,0]=4 45 B9R1.2 COc1cccc(c1)Cl AS02677 [0,1,0,0,0,0|2,1,0]=4 46 B9R1.2 COc1cccc(c1)F AS02585 [0,1,0,0,0,0|2,1,0]=4 47 B9R1.2 COc1cccc(c1)I AS02207 [0,1,0,0,0,0|2,1,0]=4 48 B9R1.2 COc1cccc(c1)N AS01512 [0,1,0,0,0,0|2,1,0]=4 49 B9R1.2 COc1cccc(c1)O AS00218 [0,1,0,0,0,0|2,1,0]=4 50 B9R1.2 COc1cccc(c1)S AS00080 [0,1,0,0,0,0|2,1,0]=4 51 B9R1.2 COc1cccc(n1)Br AS04908 [0,1,0,0,0,0|1,1,0]=3 52 B9R1.2 CSc1cccc(c1)Br AS04292 [0,1,0,0,0,0|2,0,0]=3 53 B9R1.2 CSc1cccc(c1)Cl AS04288 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.2 CSc1cccc(c1)F AS04285 [0,1,0,0,0,0|2,0,0]=3 55 B9R1.2 CSc1cccc(c1)I AS04300 [0,1,0,0,0,0|2,0,0]=3 56 B9R1.2 CSc1cccc(c1)N AS04282 [0,1,0,0,0,0|2,0,0]=3 57 B9R1.2 Cc1cccc(c1)OC AS01016 [0,1,0,0,0,0|2,1,0]=4 58 B9R1.2 Cc1cccc(c1)SC AS04308 [0,1,0,0,0,0|2,0,0]=3 59 B9R1.2 c1c(cncc1Cl)C#N AS04711 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.6 c1cc(cnc1)C(=N)N AS06178 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.6 c1ccnc(c1)C(=N)N AS06177 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.8 c1ccc(cc1)CCCl AS00650 [0,1,0,0,0,0|3,0,0]=4 64 B9R1.8 c1ccc(cc1)CCN AS00484 [0,1,0,0,0,0|3,0,0]=4 65 B9R1.8 c1ccc(cc1)CCO AS00558 [0,1,0,0,0,0|3,0,0]=4 66 B9R1.8 c1ccnc(c1)CCCl AS04932 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.15 CCc1ccccc1Br AS03252 [0,1,0,0,0,0|3,0,0]=4 68 B9R1.15 CCc1ccccc1I AS02158 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.15 CNc1ccccc1N AS04592 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.15 COc1c(cccn1)Br AS04919 [0,1,0,0,0,0|1,1,0]=3 71 B9R1.15 COc1c(cccn1)I AS04954 [0,1,0,0,0,0|1,1,0]=3 72 B9R1.15 COc1ccccc1Br AS02357 [0,1,0,0,0,0|2,1,0]=4 73 B9R1.15 COc1ccccc1Cl AS02676 [0,1,0,0,0,0|2,1,0]=4 74 B9R1.15 COc1ccccc1F AS01803 [0,1,0,0,0,0|2,1,0]=4 75 B9R1.15 COc1ccccc1I AS02206 [0,1,0,0,0,0|2,1,0]=4 76 B9R1.15 COc1ccccc1N AS01503 [0,1,0,0,0,0|2,1,0]=4 77 B9R1.15 CSc1ccccc1Br AS04291 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.15 CSc1ccccc1Cl AS04287 [0,1,0,0,0,0|2,0,0]=3 79 B9R1.15 CSc1ccccc1F AS04284 [0,1,0,0,0,0|2,0,0]=3 80 B9R1.15 CSc1ccccc1I AS04299 [0,1,0,0,0,0|2,0,0]=3 81 B9R1.15 CSc1ccccc1N AS04281 [0,1,0,0,0,0|2,0,0]=3 82 B9R1.15 CSc1ccccc1O AS04298 [0,1,0,0,0,0|2,0,0]=3 83 B9R1.15 Cc1ccccc1OC AS01015 [0,1,0,0,0,0|2,1,0]=4 84 B9R1.15 Cc1ccccc1SC AS04306 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.15 Cc1ccncc1C#N AS04710 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.15 c1cc(c(nc1)C#N)F AS04724 [0,1,0,0,0,0|3,0,0]=4 87 B7R1.1 c1cc([nH]c1)C=O AS06197 [0,0,0,0,1,0|2,0,1]=4 88 B8R1.3 Cc1ccc(cc1)C AS00254 [1,1,0,0,0,0|2,0,0]=4 89 B8R1.3 Cc1ccc(cc1)F AS00305 [1,1,0,0,0,0|2,0,0]=4 90 B8R1.3 Cc1ccc(cc1)I AS02294 [1,1,0,0,0,0|2,0,0]=4 91 B8R1.3 Cc1ccc(cc1)N AS06931 [1,1,0,0,0,0|2,0,0]=4 92 B8R1.3 Cc1ccc(cn1)F AS04876 [1,1,0,0,0,0|1,0,0]=3 93 B8R1.3 Cc1ccc(nc1)Br AS04906 [1,1,0,0,0,0|1,0,0]=3 94 B8R1.3 Cc1ccc(nc1)F AS04850 [1,1,0,0,0,0|1,0,0]=3 95 B8R1.3 c1cc(ccc1F)S AS04129 [1,1,0,0,0,0|2,0,0]=4 96 B8R1.3 c1cc(ccc1N)S AS04134 [1,1,0,0,0,0|2,0,0]=4 97 B8R1.3 c1cc(ccc1S)Cl AS04130 [1,1,0,0,0,0|2,0,0]=4 98 B8R1.3 c1cc(ncc1Br)Cl AS04922 [1,1,0,0,0,0|2,0,0]=4 99 B8R1.3 c1cc(ncc1Br)F AS04801 [1,1,0,0,0,0|2,0,0]=4 100 B8R1.3 c1cc(ncc1Br)I AS04928 [1,1,0,0,0,0|2,0,0]=4 101 B8R1.3 c1cc(ncc1Br)N AS04888 [1,1,0,0,0,0|2,0,0]=4 102 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [1,1,0,0,0,0|2,0,0]=4 103 B8R1.3 c1cc(ncc1Cl)F AS04821 [1,1,0,0,0,0|2,0,0]=4 104 B8R1.3 c1cc(ncc1Cl)N AS04770 [1,1,0,0,0,0|2,0,0]=4 105 B8R1.3 c1cc(ncc1Cl)O AS04939 [1,1,0,0,0,0|1,1,0]=4 106 B8R1.3 c1cc(ncc1F)Br AS04782 [1,1,0,0,0,0|2,0,0]=4 107 B8R1.3 c1cc(ncc1F)F AS04727 [1,1,0,0,0,0|2,0,0]=4 108 B8R1.3 c1cc(ncc1F)N AS04771 [1,1,0,0,0,0|2,0,0]=4 109 B8R1.3 c1cc(ncc1F)O AS04872 [1,1,0,0,0,0|1,1,0]=4 110 B8R1.3 c1cc(ncc1I)F AS04841 [1,1,0,0,0,0|2,0,0]=4 111 B8R1.3 c1cc(ncc1I)N AS02984 [1,1,0,0,0,0|2,0,0]=4 112 B8R1.3 c1cc(ncc1N)Cl AS04902 [1,1,0,0,0,0|2,0,0]=4 113 B8R1.3 c1cc(ncc1N)F AS04778 [1,1,0,0,0,0|2,0,0]=4 114 B8R1.3 c1cc(ncc1N)N AS04945 [1,1,0,0,0,0|2,0,0]=4 115 B8R1.3 c1cc(ncc1O)F AS04834 [1,1,0,0,0,0|1,1,0]=4 116 B8R1.4 Cc1cc(cnc1)Br AS04920 [1,1,0,0,0,0|1,0,0]=3 117 B8R1.4 Cc1cccc(c1)Br AS03472 [1,1,0,0,0,0|2,0,0]=4 118 B8R1.4 Cc1cccc(c1)Cl AS02842 [1,1,0,0,0,0|2,0,0]=4 119 B8R1.4 Cc1cccc(c1)F AS06924 [1,1,0,0,0,0|2,0,0]=4 120 B8R1.4 Cc1cccc(c1)I AS02293 [1,1,0,0,0,0|2,0,0]=4 121 B8R1.4 Cc1cccc(c1)N AS06930 [1,1,0,0,0,0|2,0,0]=4 122 B8R1.4 Cc1cccc(c1)S AS00077 [1,1,0,0,0,0|2,0,0]=4 123 B8R1.4 Cc1cccc(n1)Br AS04907 [1,1,0,0,0,0|1,0,0]=3 124 B8R1.4 Cc1cccc(n1)C AS04947 [1,1,0,0,0,0|1,0,0]=3 125 B8R1.4 Cc1cccc(n1)F AS04851 [1,1,0,0,0,0|1,0,0]=3 126 B8R1.4 Cc1ccnc(c1)Br AS04905 [1,1,0,0,0,0|2,0,0]=4 127 B8R1.4 Cc1ccnc(c1)Cl AS04706 [1,1,0,0,0,0|2,0,0]=4 128 B8R1.4 Cc1ccnc(c1)F AS04730 [1,1,0,0,0,0|2,0,0]=4 129 B8R1.4 c1c(cncc1Br)Cl AS04916 [1,1,0,0,0,0|2,0,0]=4 130 B8R1.4 c1c(cncc1Br)F AS04794 [1,1,0,0,0,0|2,0,0]=4 131 B8R1.4 c1c(cncc1Cl)F AS04819 [1,1,0,0,0,0|2,0,0]=4 132 B8R1.4 c1c(cncc1F)F AS04885 [1,1,0,0,0,0|2,0,0]=4 133 B8R1.4 c1cc(nc(c1)Br)Cl AS04699 [1,1,0,0,0,0|2,0,0]=4 134 B8R1.4 c1cc(nc(c1)Br)F AS04787 [1,1,0,0,0,0|2,0,0]=4 135 B8R1.4 c1cc(nc(c1)Br)O AS04913 [1,1,0,0,0,0|1,1,0]=4 136 B8R1.4 c1cc(nc(c1)Cl)F AS04818 [1,1,0,0,0,0|2,0,0]=4 137 B8R1.4 c1cc(nc(c1)F)F AS04884 [1,1,0,0,0,0|2,0,0]=4 138 B8R1.4 c1cnc(cc1Br)F AS04796 [1,1,0,0,0,0|2,0,0]=4 139 B8R1.4 c1cnc(cc1F)Br AS04781 [1,1,0,0,0,0|2,0,0]=4 140 B8R1.4 c1cnc(cc1I)Cl AS04707 [1,1,0,0,0,0|2,0,0]=4 141 B8R1.4 c1cnc(cc1N)F AS04716 [1,1,0,0,0,0|2,0,0]=4 142 B8R1.5 Cc1c(cccn1)Br AS04917 [1,1,0,0,0,0|1,0,0]=3 143 B8R1.5 Cc1c(cccn1)N AS04896 [1,1,0,0,0,0|1,0,0]=3 144 B8R1.5 Cc1ccccc1Br AS03471 [1,1,0,0,0,0|2,0,0]=4 145 B8R1.5 Cc1ccccc1F AS00300 [1,1,0,0,0,0|2,0,0]=4 146 B8R1.5 Cc1ccccc1I AS02292 [1,1,0,0,0,0|2,0,0]=4 147 B8R1.5 Cc1ccccc1N AS01510 [1,1,0,0,0,0|2,0,0]=4 148 B8R1.5 Cc1ccccc1O AS00217 [1,1,0,0,0,0|2,0,0]=4 149 B8R1.5 Cc1cccnc1Cl AS06186 [1,1,0,0,0,0|1,0,0]=3 150 B8R1.5 Cc1cccnc1F AS04849 [1,1,0,0,0,0|1,0,0]=3 151 B8R1.5 Cc1ccncc1F AS04731 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.5 Cc1cnccc1F AS04869 [1,1,0,0,0,0|1,0,0]=3 153 B8R1.5 c1cc(c(nc1)Br)Cl AS06964 [1,1,0,0,0,0|2,0,0]=4 154 B8R1.5 c1cc(c(nc1)Br)F AS04780 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.5 c1cc(c(nc1)Br)N AS04696 [1,1,0,0,0,0|2,0,0]=4 156 B8R1.5 c1cc(c(nc1)Cl)Br AS04700 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.5 c1cc(c(nc1)Cl)F AS04804 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.5 c1cc(c(nc1)Cl)N AS04895 [1,1,0,0,0,0|2,0,0]=4 159 B8R1.5 c1cc(c(nc1)F)Br AS04791 [1,1,0,0,0,0|2,0,0]=4 160 B8R1.5 c1cc(c(nc1)F)F AS04883 [1,1,0,0,0,0|2,0,0]=4 161 B8R1.5 c1cc(c(nc1)F)I AS04835 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.5 c1cc(c(nc1)F)N AS04774 [1,1,0,0,0,0|2,0,0]=4 163 B8R1.5 c1cc(c(nc1)F)O AS04833 [1,1,0,0,0,0|1,1,0]=4 164 B8R1.5 c1cc(c(nc1)I)F AS04864 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.5 c1cc(c(nc1)O)Br AS04918 [1,1,0,0,0,0|1,1,0]=4 166 B8R1.5 c1ccc(c(c1)F)S AS04132 [1,1,0,0,0,0|2,0,0]=4 167 B8R1.5 c1ccc(c(c1)S)Cl AS04136 [1,1,0,0,0,0|2,0,0]=4 168 B8R1.5 c1cncc(c1Br)F AS04797 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.5 c1cncc(c1Cl)Br AS04702 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.5 c1cncc(c1Cl)F AS04820 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.5 c1cncc(c1I)Cl AS04936 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.5 c1cncc(c1I)F AS04865 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.5 c1cncc(c1N)F AS04775 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.7 CC(C)c1cnc[nH]1 AS07134 [0,1,0,0,1,0|1,0,1]=4 175 B10R1.3 COc1ccc(cc1)SC AS04296 [0,2,0,0,0,0|2,0,0]=4 176 B10R1.3 CSc1ccc(cc1)CN AS06024 [0,2,0,0,0,0|2,0,0]=4 177 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,2,0,0,0,0|2,0,0]=4 178 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,2,0,0,0,0|2,0,0]=4 179 B10R1.25 COc1c(cc(cn1)F)Br AS04795 [0,2,0,0,0,0|1,1,0]=4 180 B10R1.25 COc1c(cc(cn1)F)O AS04881 [0,2,0,0,0,0|1,1,0]=4 181 B10R1.25 COc1c(cc(cn1)N)Br AS04900 [0,2,0,0,0,0|1,1,0]=4 182 B10R1.25 CSc1ccc(cc1Br)Cl AS04512 [0,2,0,0,0,0|2,0,0]=4 183 B10R1.25 CSc1ccc(cc1F)F AS04305 [0,2,0,0,0,0|2,0,0]=4 184 B10R1.176 COc1cc(c(cn1)F)Br AS04799 [0,2,0,0,0,0|1,1,0]=4 185 B10R1.176 COc1cc(c(cn1)F)I AS04873 [0,2,0,0,0,0|1,1,0]=4 186 B10R1.176 Cc1c(ccc(n1)OC)Br AS04927 [0,2,0,0,0,0|1,1,0]=4 187 B10R1.176 Cc1c(ccc(n1)OC)F AS04875 [0,2,0,0,0,0|1,1,0]=4 188 B10R1.8 CSc1cc(cc(c1)Br)F AS06512 [0,2,0,0,0,0|2,0,0]=4 189 B10R1.8 CSc1cc(cc(c1)Br)O AS06576 [0,2,0,0,0,0|2,0,0]=4 190 B10R1.8 CSc1cc(cc(c1)Cl)Cl AS04290 [0,2,0,0,0,0|2,0,0]=4 191 B10R1.30 Cc1ccc(c(n1)OC)F AS04867 [0,2,0,0,0,0|1,1,0]=4 192 B10R1.113 CC(C)c1cccc(n1)Br AS06182 [0,2,0,0,0,0|2,0,0]=4 193 B10R1.172 COc1cccc(c1)SC AS04295 [0,2,0,0,0,0|2,0,0]=4 194 B10R1.172 COc1cccc(n1)OC AS04949 [0,2,0,0,0,0|1,1,0]=4 195 B10R1.61 CC(=O)c1c(cccn1)F AS04769 [0,2,0,0,0,0|2,0,0]=4 196 B10R1.20 COc1ccccc1SC AS04294 [0,2,0,0,0,0|2,0,0]=4 197 B10R1.245 CSc1c(cccc1Br)O AS06501 [0,2,0,0,0,0|2,0,0]=4