0 B8R1.2 COc1ccccc1 AS04310 [0,0,0,0,0,0|3,0,0]=3 1 B8R1.2 COc1ccccc1 AS06877 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 COc1ccccn1 AS01009 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 COc1cccnc1 AS01010 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 COc1ccncc1 AS04953 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 CSc1ccccc1 AS04279 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 c1ccc(cc1)C#N AS02370 [0,0,0,0,0,0|3,0,1]=4 7 B8R1.2 c1ccc(cc1)CBr AS02048 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 c1ccc(cc1)CO AS04466 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=4 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|2,0,0]=3 19 B9R1.1 CCc1ccc(cc1)F AS04424 [0,1,0,0,0,0|2,0,0]=3 20 B9R1.1 CCc1ccc(cc1)I AS02159 [0,1,0,0,0,0|2,0,0]=3 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|3,0,0]=4 23 B9R1.1 COc1ccc(cc1)Cl AS01802 [0,1,0,0,0,0|3,0,0]=4 24 B9R1.1 COc1ccc(cc1)F AS02586 [0,1,0,0,0,0|3,0,0]=4 25 B9R1.1 COc1ccc(cc1)I AS02208 [0,1,0,0,0,0|3,0,0]=4 26 B9R1.1 COc1ccc(cc1)O AS04576 [0,1,0,0,0,0|3,0,0]=4 27 B9R1.1 COc1ccc(cn1)Br AS03404 [0,1,0,0,0,0|2,0,0]=3 28 B9R1.1 COc1ccc(cn1)F AS04877 [0,1,0,0,0,0|2,0,0]=3 29 B9R1.1 COc1ccc(nc1)Br AS04912 [0,1,0,0,0,0|2,0,0]=3 30 B9R1.1 CSc1ccc(cc1)Br AS04293 [0,1,0,0,0,0|3,0,0]=4 31 B9R1.1 CSc1ccc(cc1)Cl AS04289 [0,1,0,0,0,0|3,0,0]=4 32 B9R1.1 CSc1ccc(cc1)F AS04286 [0,1,0,0,0,0|3,0,0]=4 33 B9R1.1 CSc1ccc(cc1)N AS04283 [0,1,0,0,0,0|3,0,0]=4 34 B9R1.1 Cc1ccc(cc1)CCl AS00637 [0,1,0,0,0,0|3,0,0]=4 35 B9R1.1 Cc1ccc(cc1)SC AS04302 [0,1,0,0,0,0|3,0,0]=4 36 B9R1.1 Cc1ccc(nc1)C#N AS04709 [0,1,0,0,0,0|2,0,1]=4 37 B9R1.1 c1cc(ccc1CBr)Br AS02044 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [0,1,0,0,0,0|3,0,0]=4 39 B9R1.1 c1cc(ccc1CBr)F AS00664 [0,1,0,0,0,0|3,0,0]=4 40 B9R1.1 c1cc(ccc1CBr)I AS00645 [0,1,0,0,0,0|3,0,0]=4 41 B9R1.1 c1cc(ccc1CCl)Br AS00646 [0,1,0,0,0,0|3,0,0]=4 42 B9R1.1 c1cc(ccc1CCl)F AS00660 [0,1,0,0,0,0|3,0,0]=4 43 B9R1.1 c1cc(ccc1CCl)F AS02054 [0,1,0,0,0,0|3,0,0]=4 44 B9R1.1 c1cc(ccc1CN)Br AS02268 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 c1cc(ccc1CN)Br AS03103 [0,1,0,0,0,0|3,0,0]=4 46 B9R1.1 c1cc(ccc1CN)Br AS06970 [0,1,0,0,0,0|3,0,0]=4 47 B9R1.1 c1cc(ccc1CN)Cl AS00379 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 c1cc(ccc1CN)Cl AS02689 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 c1cc(ccc1CN)F AS00834 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 c1cc(ccc1CN)F AS01938 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 c1cc(ccc1CN)I AS02223 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 c1cc(ccc1CN)I AS02301 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 c1cc(ccc1CO)Br AS03954 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 c1cc(ccc1CO)Cl AS03965 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 c1cc(ccc1CO)F AS03978 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 c1cc(ccc1CO)I AS00604 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 c1cc(ccc1CO)I AS03987 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 c1cc(ccc1CO)N AS00548 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 c1cc(ccc1CO)O AS00576 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 c1cc(ncc1Br)C#N AS04632 [0,1,0,0,0,0|2,0,1]=4 61 B9R1.1 c1cc(ncc1C#N)Br AS04910 [0,1,0,0,0,0|2,0,1]=4 62 B9R1.1 c1cc(ncc1C=O)Br AS06180 [0,1,0,0,0,0|2,0,1]=4 63 B9R1.2 CCc1cccc(c1)Br AS03253 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.2 CCc1cccc(c1)N AS00465 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.2 CCc1cccc(c1)O AS04468 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.2 CNc1cccc(c1)O AS06505 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 COc1cc(ccn1)Br AS04921 [0,1,0,0,0,0|2,0,0]=3 68 B9R1.2 COc1cccc(c1)Br AS04314 [0,1,0,0,0,0|3,0,0]=4 69 B9R1.2 COc1cccc(c1)Cl AS02677 [0,1,0,0,0,0|3,0,0]=4 70 B9R1.2 COc1cccc(c1)F AS02585 [0,1,0,0,0,0|3,0,0]=4 71 B9R1.2 COc1cccc(c1)I AS02207 [0,1,0,0,0,0|3,0,0]=4 72 B9R1.2 COc1cccc(c1)N AS01512 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.2 COc1cccc(c1)O AS00218 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.2 COc1cccc(c1)S AS00080 [0,1,0,0,0,0|3,0,0]=4 75 B9R1.2 COc1cccc(n1)Br AS04908 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.2 CSc1cccc(c1)Br AS04292 [0,1,0,0,0,0|3,0,0]=4 77 B9R1.2 CSc1cccc(c1)Cl AS04288 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.2 CSc1cccc(c1)F AS04285 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.2 CSc1cccc(c1)I AS04300 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.2 CSc1cccc(c1)N AS04282 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.2 Cc1cccc(c1)CCl AS00628 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.2 Cc1cccc(c1)CF AS05991 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.2 Cc1cccc(c1)CN AS00385 [0,1,0,0,0,0|3,0,0]=4 84 B9R1.2 Cc1cccc(c1)OC AS01016 [0,1,0,0,0,0|3,0,0]=4 85 B9R1.2 Cc1cccc(c1)SC AS04308 [0,1,0,0,0,0|3,0,0]=4 86 B9R1.2 c1c(cncc1Cl)C#N AS04711 [0,1,0,0,0,0|2,0,1]=4 87 B9R1.2 c1cc(cc(c1)Br)CBr AS00624 [0,1,0,0,0,0|3,0,0]=4 88 B9R1.2 c1cc(cc(c1)Br)CN AS02267 [0,1,0,0,0,0|3,0,0]=4 89 B9R1.2 c1cc(cc(c1)Br)CN AS03102 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.2 c1cc(cc(c1)Br)CO AS03953 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.2 c1cc(cc(c1)Cl)CBr AS00001 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 c1cc(cc(c1)Cl)CCl AS02066 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 c1cc(cc(c1)Cl)CN AS00386 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 c1cc(cc(c1)Cl)CN AS02688 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 c1cc(cc(c1)Cl)CO AS03964 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.2 c1cc(cc(c1)F)CBr AS00663 [0,1,0,0,0,0|3,0,0]=4 97 B9R1.2 c1cc(cc(c1)F)CCl AS00661 [0,1,0,0,0,0|3,0,0]=4 98 B9R1.2 c1cc(cc(c1)F)CF AS05720 [0,1,0,0,0,0|3,0,0]=4 99 B9R1.2 c1cc(cc(c1)F)CN AS00833 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 c1cc(cc(c1)F)CN AS01937 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.2 c1cc(cc(c1)F)CO AS03977 [0,1,0,0,0,0|3,0,0]=4 102 B9R1.2 c1cc(cc(c1)I)CBr AS00643 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.2 c1cc(cc(c1)I)CN AS02222 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.2 c1cc(cc(c1)I)CN AS02300 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.2 c1cc(cc(c1)I)CO AS03986 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.2 c1cc(cc(c1)N)CO AS00403 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.2 c1cc(cc(c1)O)CO AS00159 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.6 c1cc(cnc1)C(=N)N AS06178 [0,1,0,0,0,0|2,0,1]=4 110 B9R1.6 c1ccnc(c1)C(=N)N AS06177 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.8 c1ccc(cc1)CC#N AS01366 [0,1,0,0,0,0|2,0,1]=4 112 B9R1.8 c1ccc(cc1)CCCl AS00650 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.8 c1ccc(cc1)CCN AS00484 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.8 c1ccc(cc1)CCO AS00558 [0,1,0,0,0,0|2,0,0]=3 115 B9R1.8 c1ccc(cc1)CON AS04494 [0,1,0,0,0,0|3,0,0]=4 116 B9R1.8 c1ccnc(c1)CCCl AS04932 [0,1,0,0,0,0|1,0,0]=2 117 B9R1.15 CCc1ccccc1Br AS03252 [0,1,0,0,0,0|2,0,0]=3 118 B9R1.15 CCc1ccccc1I AS02158 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.15 CNc1ccccc1N AS04592 [0,1,0,0,0,0|3,0,0]=4 120 B9R1.15 COc1c(cccn1)Br AS04919 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.15 COc1c(cccn1)I AS04954 [0,1,0,0,0,0|2,0,0]=3 122 B9R1.15 COc1ccccc1Br AS02357 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.15 COc1ccccc1Cl AS02676 [0,1,0,0,0,0|3,0,0]=4 124 B9R1.15 COc1ccccc1F AS01803 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.15 COc1ccccc1I AS02206 [0,1,0,0,0,0|3,0,0]=4 126 B9R1.15 COc1ccccc1N AS01503 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.15 CSc1ccccc1Br AS04291 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.15 CSc1ccccc1Cl AS04287 [0,1,0,0,0,0|3,0,0]=4 129 B9R1.15 CSc1ccccc1F AS04284 [0,1,0,0,0,0|3,0,0]=4 130 B9R1.15 CSc1ccccc1I AS04299 [0,1,0,0,0,0|3,0,0]=4 131 B9R1.15 CSc1ccccc1N AS04281 [0,1,0,0,0,0|3,0,0]=4 132 B9R1.15 CSc1ccccc1O AS04298 [0,1,0,0,0,0|3,0,0]=4 133 B9R1.15 Cc1ccccc1CBr AS02052 [0,1,0,0,0,0|3,0,0]=4 134 B9R1.15 Cc1ccccc1CCl AS03843 [0,1,0,0,0,0|3,0,0]=4 135 B9R1.15 Cc1ccccc1CN AS00380 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.15 Cc1ccccc1OC AS01015 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.15 Cc1ccccc1SC AS04306 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.15 Cc1ccncc1C#N AS04710 [0,1,0,0,0,0|2,0,1]=4 139 B9R1.15 c1cc(c(nc1)C#N)F AS04724 [0,1,0,0,0,0|2,0,1]=4 140 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [0,1,0,0,0,0|3,0,0]=4 141 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [0,1,0,0,0,0|3,0,0]=4 142 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [0,1,0,0,0,0|3,0,0]=4 145 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [0,1,0,0,0,0|3,0,0]=4 147 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [0,1,0,0,0,0|3,0,0]=4 148 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [0,1,0,0,0,0|3,0,0]=4 149 B9R1.15 c1ccc(c(c1)CN)F AS00832 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.15 c1ccc(c(c1)CN)F AS01936 [0,1,0,0,0,0|3,0,0]=4 151 B9R1.15 c1ccc(c(c1)CN)I AS02221 [0,1,0,0,0,0|3,0,0]=4 152 B9R1.15 c1ccc(c(c1)CN)I AS02299 [0,1,0,0,0,0|3,0,0]=4 153 B9R1.15 c1ccc(c(c1)CN)N AS06598 [0,1,0,0,0,0|3,0,0]=4 154 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.15 c1ccc(c(c1)CO)F AS03976 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.15 c1ccc(c(c1)CO)I AS03985 [0,1,0,0,0,0|3,0,0]=4 158 B9R1.15 c1ccc(c(c1)CO)N AS00575 [0,1,0,0,0,0|3,0,0]=4 159 B9R1.15 c1ccc(c(c1)CO)O AS00547 [0,1,0,0,0,0|3,0,0]=4 160 B7R1.1 c1cc([nH]c1)C=O AS06197 [0,0,0,0,1,0|1,0,2]=4 161 B8R1.3 Cc1ccc(cc1)C AS00254 [1,1,0,0,0,0|2,0,0]=4 162 B8R1.3 Cc1ccc(cc1)F AS00305 [1,1,0,0,0,0|2,0,0]=4 163 B8R1.3 Cc1ccc(cc1)I AS02294 [1,1,0,0,0,0|2,0,0]=4 164 B8R1.3 Cc1ccc(cc1)N AS06931 [1,1,0,0,0,0|2,0,0]=4 165 B8R1.3 Cc1ccc(cn1)F AS04876 [1,1,0,0,0,0|1,0,0]=3 166 B8R1.3 Cc1ccc(nc1)Br AS04906 [1,1,0,0,0,0|1,0,0]=3 167 B8R1.3 Cc1ccc(nc1)F AS04850 [1,1,0,0,0,0|1,0,0]=3 168 B8R1.3 c1cc(ncc1Br)Cl AS04922 [1,1,0,0,0,0|2,0,0]=4 169 B8R1.3 c1cc(ncc1Br)F AS04801 [1,1,0,0,0,0|2,0,0]=4 170 B8R1.3 c1cc(ncc1Br)I AS04928 [1,1,0,0,0,0|2,0,0]=4 171 B8R1.3 c1cc(ncc1Br)N AS04888 [1,1,0,0,0,0|2,0,0]=4 172 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [1,1,0,0,0,0|2,0,0]=4 173 B8R1.3 c1cc(ncc1Cl)F AS04821 [1,1,0,0,0,0|2,0,0]=4 174 B8R1.3 c1cc(ncc1Cl)N AS04770 [1,1,0,0,0,0|2,0,0]=4 175 B8R1.3 c1cc(ncc1Cl)O AS04939 [1,1,0,0,0,0|2,0,0]=4 176 B8R1.3 c1cc(ncc1F)Br AS04782 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.3 c1cc(ncc1F)F AS04727 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.3 c1cc(ncc1F)N AS04771 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.3 c1cc(ncc1F)O AS04872 [1,1,0,0,0,0|2,0,0]=4 180 B8R1.3 c1cc(ncc1I)F AS04841 [1,1,0,0,0,0|2,0,0]=4 181 B8R1.3 c1cc(ncc1I)N AS02984 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.3 c1cc(ncc1N)Cl AS04902 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.3 c1cc(ncc1N)F AS04778 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.3 c1cc(ncc1N)N AS04945 [1,1,0,0,0,0|2,0,0]=4 185 B8R1.3 c1cc(ncc1O)F AS04834 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.4 Cc1cc(cnc1)Br AS04920 [1,1,0,0,0,0|1,0,0]=3 187 B8R1.4 Cc1cccc(c1)Br AS03472 [1,1,0,0,0,0|2,0,0]=4 188 B8R1.4 Cc1cccc(c1)Cl AS02842 [1,1,0,0,0,0|2,0,0]=4 189 B8R1.4 Cc1cccc(c1)F AS06924 [1,1,0,0,0,0|2,0,0]=4 190 B8R1.4 Cc1cccc(c1)I AS02293 [1,1,0,0,0,0|2,0,0]=4 191 B8R1.4 Cc1cccc(c1)N AS06930 [1,1,0,0,0,0|2,0,0]=4 192 B8R1.4 Cc1cccc(c1)S AS00077 [1,1,0,0,0,0|2,0,0]=4 193 B8R1.4 Cc1cccc(n1)Br AS04907 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.4 Cc1cccc(n1)C AS04947 [1,1,0,0,0,0|1,0,0]=3 195 B8R1.4 Cc1cccc(n1)F AS04851 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.4 Cc1ccnc(c1)Br AS04905 [1,1,0,0,0,0|2,0,0]=4 197 B8R1.4 Cc1ccnc(c1)Cl AS04706 [1,1,0,0,0,0|2,0,0]=4 198 B8R1.4 Cc1ccnc(c1)F AS04730 [1,1,0,0,0,0|2,0,0]=4 199 B8R1.4 c1c(cncc1Br)Cl AS04916 [1,1,0,0,0,0|2,0,0]=4 200 B8R1.4 c1c(cncc1Br)F AS04794 [1,1,0,0,0,0|2,0,0]=4 201 B8R1.4 c1c(cncc1Cl)F AS04819 [1,1,0,0,0,0|2,0,0]=4 202 B8R1.4 c1c(cncc1F)F AS04885 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.4 c1cc(nc(c1)Br)Cl AS04699 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.4 c1cc(nc(c1)Br)F AS04787 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 c1cc(nc(c1)Br)O AS04913 [1,1,0,0,0,0|2,0,0]=4 206 B8R1.4 c1cc(nc(c1)Cl)F AS04818 [1,1,0,0,0,0|2,0,0]=4 207 B8R1.4 c1cc(nc(c1)F)F AS04884 [1,1,0,0,0,0|2,0,0]=4 208 B8R1.4 c1cnc(cc1Br)F AS04796 [1,1,0,0,0,0|2,0,0]=4 209 B8R1.4 c1cnc(cc1F)Br AS04781 [1,1,0,0,0,0|2,0,0]=4 210 B8R1.4 c1cnc(cc1I)Cl AS04707 [1,1,0,0,0,0|2,0,0]=4 211 B8R1.4 c1cnc(cc1N)F AS04716 [1,1,0,0,0,0|2,0,0]=4 212 B8R1.5 Cc1c(cccn1)Br AS04917 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.5 Cc1c(cccn1)N AS04896 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.5 Cc1ccccc1Br AS03471 [1,1,0,0,0,0|2,0,0]=4 215 B8R1.5 Cc1ccccc1F AS00300 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.5 Cc1ccccc1I AS02292 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.5 Cc1ccccc1N AS01510 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.5 Cc1ccccc1O AS00217 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.5 Cc1cccnc1Cl AS06186 [1,1,0,0,0,0|1,0,0]=3 220 B8R1.5 Cc1cccnc1F AS04849 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.5 Cc1ccncc1F AS04731 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.5 Cc1cnccc1F AS04869 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.5 c1cc(c(nc1)Br)Cl AS06964 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.5 c1cc(c(nc1)Br)F AS04780 [1,1,0,0,0,0|2,0,0]=4 225 B8R1.5 c1cc(c(nc1)Br)N AS04696 [1,1,0,0,0,0|2,0,0]=4 226 B8R1.5 c1cc(c(nc1)Cl)Br AS04700 [1,1,0,0,0,0|2,0,0]=4 227 B8R1.5 c1cc(c(nc1)Cl)F AS04804 [1,1,0,0,0,0|2,0,0]=4 228 B8R1.5 c1cc(c(nc1)Cl)N AS04895 [1,1,0,0,0,0|2,0,0]=4 229 B8R1.5 c1cc(c(nc1)F)Br AS04791 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.5 c1cc(c(nc1)F)F AS04883 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.5 c1cc(c(nc1)F)I AS04835 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.5 c1cc(c(nc1)F)N AS04774 [1,1,0,0,0,0|2,0,0]=4 233 B8R1.5 c1cc(c(nc1)F)O AS04833 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.5 c1cc(c(nc1)I)F AS04864 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.5 c1cc(c(nc1)O)Br AS04918 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.5 c1cncc(c1Br)F AS04797 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.5 c1cncc(c1Cl)Br AS04702 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.5 c1cncc(c1Cl)F AS04820 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.5 c1cncc(c1I)Cl AS04936 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.5 c1cncc(c1I)F AS04865 [1,1,0,0,0,0|2,0,0]=4 241 B8R1.5 c1cncc(c1N)F AS04775 [1,1,0,0,0,0|2,0,0]=4 242 B8R1.7 CC(C)c1cnc[nH]1 AS07134 [0,1,0,0,1,0|0,0,1]=3 243 B8R1.11 c1csc(c1CO)Br AS06498 [0,1,0,0,1,0|2,0,0]=4 244 B10R1.1 CCOc1ccc(cc1)Br AS03448 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.1 CCOc1ccc(cc1)F AS02638 [0,2,0,0,0,0|2,0,0]=4 246 B10R1.1 CCOc1ccc(cc1)I AS02282 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.1 Cc1ccc(cc1)CCBr AS06761 [0,2,0,0,0,0|2,0,0]=4 248 B10R1.1 Cc1ccc(cc1)CCN AS00487 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.1 Cc1ccc(cc1)CCO AS00590 [0,2,0,0,0,0|2,0,0]=4 250 B10R1.1 c1cc(ccc1CCBr)Cl AS06011 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.1 c1cc(ccc1CCBr)F AS00126 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.1 c1cc(ccc1CCBr)F AS01797 [0,2,0,0,0,0|2,0,0]=4 253 B10R1.1 c1cc(ccc1CCCl)Cl AS06010 [0,2,0,0,0,0|2,0,0]=4 254 B10R1.1 c1cc(ccc1CCN)Br AS06806 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.1 c1cc(ccc1CCN)Cl AS00485 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.1 c1cc(ccc1CCN)F AS00493 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.1 c1cc(ccc1CCO)Br AS00568 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.1 c1cc(ccc1CCO)Cl AS06008 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.1 c1cc(ccc1CCO)F AS00589 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.1 c1cc(ccc1CCO)N AS00567 [0,2,0,0,0,0|2,0,0]=4 261 B10R1.1 c1cc(ccc1CCO)O AS00553 [0,2,0,0,0,0|2,0,0]=4 262 B10R1.3 CCc1ccc(cc1)OC AS02574 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.13 CC(=O)c1ccc(nc1)Cl AS05261 [0,2,0,0,0,0|1,0,1]=4 264 B10R1.13 CC(=O)c1ccc(nc1)O AS04944 [0,2,0,0,0,0|1,0,1]=4 265 B10R1.13 CC(C)c1ccc(cc1)I AS02289 [0,2,0,0,0,0|2,0,0]=4 266 B10R1.13 CC(C)c1ccc(cc1)S AS00078 [0,2,0,0,0,0|2,0,0]=4 267 B10R1.13 CC(c1ccc(cc1)Br)N AS03462 [0,2,0,0,0,0|2,0,0]=4 268 B10R1.13 CC(c1ccc(cc1)Br)O AS03465 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.13 CC(c1ccc(cc1)Cl)Br AS06898 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.13 CC(c1ccc(cc1)Cl)N AS02836 [0,2,0,0,0,0|2,0,0]=4 271 B10R1.13 CC(c1ccc(cc1)Cl)O AS02839 [0,2,0,0,0,0|2,0,0]=4 272 B10R1.13 CC(c1ccc(cc1)F)O AS00895 [0,2,0,0,0,0|2,0,0]=4 273 B10R1.25 COc1c(cc(cn1)F)Br AS04795 [0,2,0,0,0,0|2,0,0]=4 274 B10R1.25 COc1c(cc(cn1)F)O AS04881 [0,2,0,0,0,0|2,0,0]=4 275 B10R1.25 COc1c(cc(cn1)N)Br AS04900 [0,2,0,0,0,0|2,0,0]=4 276 B10R1.176 CCc1ccc(c(c1)Br)Br AS03544 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.176 CCc1ccc(c(c1)Br)Cl AS03141 [0,2,0,0,0,0|2,0,0]=4 278 B10R1.176 CCc1ccc(c(c1)Br)I AS03255 [0,2,0,0,0,0|2,0,0]=4 279 B10R1.176 CCc1ccc(c(c1)Br)N AS03249 [0,2,0,0,0,0|2,0,0]=4 280 B10R1.176 CCc1ccc(c(c1)Br)N AS03250 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.176 CCc1ccc(c(c1)N)O AS06527 [0,2,0,0,0,0|2,0,0]=4 282 B10R1.176 CCc1ccc(c(c1)O)Cl AS02714 [0,2,0,0,0,0|2,0,0]=4 283 B10R1.176 CCc1ccc(c(c1)O)O AS06481 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.176 COc1cc(c(cn1)F)Br AS04799 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.176 COc1cc(c(cn1)F)I AS04873 [0,2,0,0,0,0|2,0,0]=4 286 B10R1.176 Cc1c(ccc(n1)OC)Br AS04927 [0,2,0,0,0,0|2,0,0]=4 287 B10R1.176 Cc1c(ccc(n1)OC)F AS04875 [0,2,0,0,0,0|2,0,0]=4 288 B10R1.2 CCc1cccc(c1F)O AS06529 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.2 CCc1cccc(c1O)Cl AS06547 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.8 CCc1cc(cc(c1)F)F AS04513 [0,2,0,0,0,0|2,0,0]=4 291 B10R1.10 CCNc1cccc(c1)Cl AS02454 [0,2,0,0,0,0|2,0,0]=4 292 B10R1.10 CCOc1cccc(c1)Br AS03447 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.10 CCOc1cccc(c1)Cl AS02832 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.10 CCOc1cccc(c1)F AS02637 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.10 CCOc1cccc(c1)I AS02281 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.10 CNCc1cccc(c1)Br AS06618 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.10 COCc1cccc(c1)Br AS03401 [0,2,0,0,0,0|2,0,0]=4 298 B10R1.10 Cc1cccc(c1)CCO AS00588 [0,2,0,0,0,0|2,0,0]=4 299 B10R1.10 c1cc(cc(c1)Br)CCO AS04438 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.10 c1cc(cc(c1)Cl)CCO AS00585 [0,2,0,0,0,0|2,0,0]=4 301 B10R1.10 c1cc(cc(c1)F)CCBr AS01798 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.10 c1cc(cc(c1)F)CCN AS00492 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.10 c1cc(cc(c1)F)CCO AS01801 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.10 c1cc(cc(c1)O)CCO AS06800 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.30 CCc1cc(ccc1Br)Br AS03545 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.30 CCc1cc(ccc1Cl)Br AS03142 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.30 CCc1cc(ccc1Cl)O AS02715 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.30 CCc1cc(ccc1F)O AS06528 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.30 CCc1cc(ccc1I)Br AS03256 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.30 CCc1cc(ccc1N)Br AS03251 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.30 CCc1cc(ccc1N)Br AS05294 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.30 Cc1ccc(c(n1)OC)F AS04867 [0,2,0,0,0,0|2,0,0]=4 313 B10R1.113 CC(C)c1cccc(c1)Br AS05658 [0,2,0,0,0,0|2,0,0]=4 314 B10R1.113 CC(C)c1cccc(n1)Br AS06182 [0,2,0,0,0,0|1,0,0]=3 315 B10R1.113 CC(c1cccc(c1)Br)N AS03461 [0,2,0,0,0,0|2,0,0]=4 316 B10R1.113 CC(c1cccc(c1)Br)O AS03464 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.113 CC(c1cccc(c1)Cl)O AS02838 [0,2,0,0,0,0|2,0,0]=4 318 B10R1.113 CC(c1cccc(c1)F)N AS00853 [0,2,0,0,0,0|2,0,0]=4 319 B10R1.113 CC(c1cccc(c1)F)N AS06027 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.113 CC(c1cccc(c1)F)O AS00894 [0,2,0,0,0,0|2,0,0]=4 321 B10R1.172 CCc1cccc(c1)C#N AS05846 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.172 COc1cccc(n1)OC AS04949 [0,2,0,0,0,0|2,0,0]=4 323 B10R1.15 CC(CBr)c1ccccc1 AS03467 [0,2,0,0,0,0|2,0,0]=4 324 B10R1.15 CCC(=O)c1ccccc1 AS01141 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.15 CCC(C)c1ccccc1 AS05667 [0,2,0,0,0,0|2,0,0]=4 326 B10R1.61 CC(=O)c1c(cccn1)F AS04769 [0,2,0,0,0,0|1,0,1]=4 327 B10R1.61 CC(C)c1ccccc1Br AS05661 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.61 CC(c1ccccc1Br)N AS03460 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.61 CC(c1ccccc1Br)O AS03463 [0,2,0,0,0,0|2,0,0]=4 330 B10R1.61 CC(c1ccccc1Cl)N AS02835 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.61 CC(c1ccccc1Cl)O AS02837 [0,2,0,0,0,0|2,0,0]=4 332 B10R1.61 CC(c1ccccc1F)N AS00852 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.61 CC(c1ccccc1F)O AS00893 [0,2,0,0,0,0|2,0,0]=4 334 B10R1.61 C[C@H](c1ccccc1O)N AS06796 [0,2,0,0,0,0|2,0,0]=4 335 B10R1.4 CCOc1ccccc1Br AS03446 [0,2,0,0,0,0|2,0,0]=4 336 B10R1.4 CCOc1ccccc1C AS07155 [0,2,0,0,0,0|2,0,0]=4 337 B10R1.4 CCOc1ccccc1F AS02636 [0,2,0,0,0,0|2,0,0]=4 338 B10R1.4 CCOc1ccccc1N AS01513 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.4 COCc1ccccc1Br AS03400 [0,2,0,0,0,0|2,0,0]=4 340 B10R1.4 COCc1ccccc1Br AS03402 [0,2,0,0,0,0|2,0,0]=4 341 B10R1.4 c1ccc(c(c1)CCBr)F AS02432 [0,2,0,0,0,0|2,0,0]=4 342 B10R1.4 c1ccc(c(c1)CCN)F AS00483 [0,2,0,0,0,0|2,0,0]=4 343 B10R1.4 c1ccc(c(c1)CCO)Br AS06007 [0,2,0,0,0,0|2,0,0]=4 344 B10R1.4 c1ccc(c(c1)CCO)Cl AS00582 [0,2,0,0,0,0|2,0,0]=4 345 B10R1.4 c1ccc(c(c1)CCO)F AS00577 [0,2,0,0,0,0|2,0,0]=4 346 B10R1.17 CCCOc1ccccc1 AS01111 [0,2,0,0,0,0|2,0,0]=4 347 B10R1.17 c1ccc(cc1)CCCBr AS03468 [0,2,0,0,0,0|2,0,0]=4 348 B10R1.17 c1ccc(cc1)NCCO AS00460 [0,2,0,0,0,0|2,0,0]=4 349 B10R1.17 c1ccc(cc1)OCCBr AS03452 [0,2,0,0,0,0|2,0,0]=4 350 B10R1.18 CC(Cc1ccccc1)O AS07220 [0,2,0,0,0,0|2,0,0]=4 351 B10R1.20 CCc1ccccc1C=O AS04433 [0,2,0,0,0,0|2,0,0]=4 352 B10R1.20 CCc1ccccc1OC AS02573 [0,2,0,0,0,0|2,0,0]=4 353 B10R1.245 CCc1c(cccc1O)N AS06592 [0,2,0,0,0,0|2,0,0]=4 354 B10R1.245 c1cnc(c(c1I)CO)F AS04840 [0,2,0,0,0,0|2,0,0]=4