0 B8R1.2 COc1ccccc1 AS04310 [0,0,0,1,0,0|2,0,0]=3 1 B8R1.2 COc1ccccc1 AS06877 [0,0,0,1,0,0|2,0,0]=3 2 B8R1.2 COc1ccccn1 AS01009 [0,0,0,1,0,0|2,0,0]=3 3 B8R1.2 COc1cccnc1 AS01010 [0,0,0,1,0,0|3,0,0]=4 4 B8R1.2 COc1ccncc1 AS04953 [0,0,0,1,0,0|3,0,0]=4 5 B8R1.2 CSc1ccccc1 AS04279 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.2 c1ccc(cc1)C#N AS02370 [0,0,0,1,0,0|2,0,1]=4 7 B8R1.2 c1ccc(cc1)CBr AS02048 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.2 c1ccc(cc1)CO AS04466 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.2 c1ccc(cc1)N=O AS01444 [0,0,0,1,0,0|1,0,2]=4 10 B8R1.5 Cc1c(cccn1)Br AS04917 [0,0,0,1,0,0|2,0,1]=4 11 B8R1.5 Cc1c(cccn1)N AS04896 [0,0,0,1,0,0|2,0,1]=4 12 B8R1.5 Cc1ccccc1Br AS03471 [0,0,0,1,0,0|1,0,1]=3 13 B8R1.5 Cc1ccccc1F AS00300 [0,0,0,1,0,0|1,0,1]=3 14 B8R1.5 Cc1ccccc1I AS02292 [0,0,0,1,0,0|1,0,1]=3 15 B8R1.5 Cc1ccccc1N AS01510 [0,0,0,1,0,0|1,0,1]=3 16 B8R1.5 Cc1ccccc1O AS00217 [0,0,0,1,0,0|0,0,2]=3 17 B8R1.5 Cc1cccnc1Cl AS06186 [0,0,0,1,0,0|2,0,1]=4 18 B8R1.5 Cc1cccnc1F AS04849 [0,0,0,1,0,0|2,0,1]=4 19 B8R1.5 Cc1ccncc1F AS04731 [0,0,0,1,0,0|2,0,1]=4 20 B8R1.5 Cc1cnccc1F AS04869 [0,0,0,1,0,0|2,0,1]=4 21 B8R1.5 c1ccc(c(c1)Br)Br AS03512 [0,0,0,1,0,0|2,0,1]=4 22 B8R1.5 c1ccc(c(c1)Br)I AS03360 [0,0,0,1,0,0|2,0,1]=4 23 B8R1.5 c1ccc(c(c1)Cl)Br AS03126 [0,0,0,1,0,0|2,0,1]=4 24 B8R1.5 c1ccc(c(c1)Cl)Cl AS00250 [0,0,0,1,0,0|2,0,1]=4 25 B8R1.5 c1ccc(c(c1)Cl)I AS03061 [0,0,0,1,0,0|2,0,1]=4 26 B8R1.5 c1ccc(c(c1)F)Br AS03287 [0,0,0,1,0,0|2,0,1]=4 27 B8R1.5 c1ccc(c(c1)F)Cl AS02728 [0,0,0,1,0,0|2,0,1]=4 28 B8R1.5 c1ccc(c(c1)F)F AS00252 [0,0,0,1,0,0|2,0,1]=4 29 B8R1.5 c1ccc(c(c1)F)I AS02178 [0,0,0,1,0,0|2,0,1]=4 30 B8R1.5 c1ccc(c(c1)F)S AS04132 [0,0,0,1,0,0|1,1,1]=4 31 B8R1.5 c1ccc(c(c1)I)I AS02129 [0,0,0,1,0,0|2,0,1]=4 32 B8R1.5 c1ccc(c(c1)N)Br AS00913 [0,0,0,1,0,0|2,0,1]=4 33 B8R1.5 c1ccc(c(c1)N)F AS00827 [0,0,0,1,0,0|2,0,1]=4 34 B8R1.5 c1ccc(c(c1)N)F AS01506 [0,0,0,1,0,0|2,0,1]=4 35 B8R1.5 c1ccc(c(c1)N)I AS00404 [0,0,0,1,0,0|2,0,1]=4 36 B8R1.5 c1ccc(c(c1)N)O AS00211 [0,0,0,1,0,0|1,0,2]=4 37 B8R1.5 c1ccc(c(c1)O)Br AS03449 [0,0,0,1,0,0|1,0,2]=4 38 B8R1.5 c1ccc(c(c1)O)F AS00891 [0,0,0,1,0,0|1,0,2]=4 39 B8R1.5 c1ccc(c(c1)O)I AS02283 [0,0,0,1,0,0|1,0,2]=4 40 B8R1.5 c1ccc(c(c1)S)Cl AS04136 [0,0,0,1,0,0|1,1,1]=4 41 B8R1.8 c1cc(sc1)C=NO AS06778 [0,0,0,1,0,0|2,1,0]=4 42 B8R1.11 c1csc(c1C=O)Br AS06533 [0,0,0,1,0,0|2,0,1]=4 43 B8R1.11 c1csc(c1CO)Br AS06498 [0,0,0,1,0,0|3,0,0]=4 44 B7R1.1 c1cc([nH]c1)C=O AS06197 [1,0,0,1,0,0|1,0,0]=3 45 B7R1.3 c1ccc(cc1)I AS02214 [1,0,0,1,0,0|1,0,1]=4 46 B7R1.3 c1ccc(cc1)I AS04509 [1,0,0,1,0,0|1,0,1]=4 47 B7R1.3 c1ccc(cc1)S AS04135 [1,0,0,1,0,0|0,1,1]=4 48 B7R1.3 c1ccnc(c1)Cl AS06184 [1,0,0,1,0,0|2,0,0]=4 49 B7R1.3 c1ccnc(c1)F AS04826 [1,0,0,1,0,0|2,0,0]=4 50 B7R1.4 Cc1cscc1Br AS06573 [1,0,0,1,0,0|2,0,0]=4 51 B9R1.2 CCc1cccc(c1)Br AS03253 [0,1,0,1,0,0|1,0,0]=3 52 B9R1.2 CCc1cccc(c1)N AS00465 [0,1,0,1,0,0|1,0,0]=3 53 B9R1.2 CCc1cccc(c1)O AS04468 [0,1,0,1,0,0|0,0,1]=3 54 B9R1.2 CNc1cccc(c1)O AS06505 [0,1,0,1,0,0|1,0,1]=4 55 B9R1.2 COc1cc(ccn1)Br AS04921 [0,1,0,1,0,0|2,0,0]=4 56 B9R1.2 COc1cccc(c1)Br AS04314 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.2 COc1cccc(c1)Cl AS02677 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.2 COc1cccc(c1)F AS02585 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.2 COc1cccc(c1)I AS02207 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.2 COc1cccc(c1)N AS01512 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.2 COc1cccc(c1)O AS00218 [0,1,0,1,0,0|1,0,1]=4 62 B9R1.2 COc1cccc(c1)S AS00080 [0,1,0,1,0,0|1,1,0]=4 63 B9R1.2 COc1cccc(n1)Br AS04908 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.2 CSc1cccc(c1)Br AS04292 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.2 CSc1cccc(c1)Cl AS04288 [0,1,0,1,0,0|2,0,0]=4 66 B9R1.2 CSc1cccc(c1)F AS04285 [0,1,0,1,0,0|2,0,0]=4 67 B9R1.2 CSc1cccc(c1)I AS04300 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.2 CSc1cccc(c1)N AS04282 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.2 Cc1cccc(c1)C=O AS02785 [0,1,0,1,0,0|0,0,1]=3 70 B9R1.2 Cc1cccc(c1)CCl AS00628 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.2 Cc1cccc(c1)CF AS05991 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.2 Cc1cccc(c1)CN AS00385 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.2 Cc1cccc(c1)OC AS01016 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.2 Cc1cccc(c1)SC AS04308 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.2 c1cc(cc(c1)Br)C=O AS02864 [0,1,0,1,0,0|0,0,2]=4 76 B9R1.2 c1cc(cc(c1)Br)CBr AS00624 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.2 c1cc(cc(c1)Br)CN AS02267 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.2 c1cc(cc(c1)Br)CN AS03102 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.2 c1cc(cc(c1)Br)CO AS03953 [0,1,0,1,0,0|2,0,0]=4 80 B9R1.2 c1cc(cc(c1)Cl)C=O AS02776 [0,1,0,1,0,0|0,0,2]=4 81 B9R1.2 c1cc(cc(c1)Cl)CBr AS00001 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.2 c1cc(cc(c1)Cl)CCl AS02066 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.2 c1cc(cc(c1)Cl)CN AS00386 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.2 c1cc(cc(c1)Cl)CN AS02688 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.2 c1cc(cc(c1)Cl)CO AS03964 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.2 c1cc(cc(c1)F)C=O AS03000 [0,1,0,1,0,0|0,0,2]=4 87 B9R1.2 c1cc(cc(c1)F)CBr AS00663 [0,1,0,1,0,0|2,0,0]=4 88 B9R1.2 c1cc(cc(c1)F)CCl AS00661 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.2 c1cc(cc(c1)F)CF AS05720 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.2 c1cc(cc(c1)F)CN AS00833 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.2 c1cc(cc(c1)F)CN AS01937 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.2 c1cc(cc(c1)F)CO AS03977 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.2 c1cc(cc(c1)I)C=O AS03915 [0,1,0,1,0,0|0,0,2]=4 94 B9R1.2 c1cc(cc(c1)I)CBr AS00643 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 c1cc(cc(c1)I)CN AS02222 [0,1,0,1,0,0|2,0,0]=4 96 B9R1.2 c1cc(cc(c1)I)CN AS02300 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.2 c1cc(cc(c1)I)CO AS03986 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.2 c1cc(cc(c1)N)CO AS00403 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.2 c1cc(cc(c1)O)CO AS00159 [0,1,0,1,0,0|1,0,1]=4 100 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [0,1,0,1,0,0|2,0,0]=4 101 B9R1.8 c1ccc(cc1)CC#N AS01366 [0,1,0,1,0,0|1,0,1]=4 102 B9R1.8 c1ccc(cc1)CCCl AS00650 [0,1,0,1,0,0|1,0,0]=3 103 B9R1.8 c1ccc(cc1)CCN AS00484 [0,1,0,1,0,0|1,0,0]=3 104 B9R1.8 c1ccc(cc1)CCO AS00558 [0,1,0,1,0,0|1,0,0]=3 105 B9R1.8 c1ccc(cc1)CON AS04494 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.8 c1ccnc(c1)CCCl AS04932 [0,1,0,1,0,0|1,0,0]=3 107 B9R1.15 CCc1ccccc1Br AS03252 [0,1,0,1,0,0|1,0,0]=3 108 B9R1.15 CCc1ccccc1I AS02158 [0,1,0,1,0,0|1,0,0]=3 109 B9R1.15 CNc1ccccc1N AS04592 [0,1,0,1,0,0|1,0,1]=4 110 B9R1.15 COc1c(cccn1)Br AS04919 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.15 COc1c(cccn1)I AS04954 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.15 COc1ccccc1Br AS02357 [0,1,0,1,0,0|1,0,1]=4 113 B9R1.15 COc1ccccc1Cl AS02676 [0,1,0,1,0,0|1,0,1]=4 114 B9R1.15 COc1ccccc1F AS01803 [0,1,0,1,0,0|1,0,1]=4 115 B9R1.15 COc1ccccc1I AS02206 [0,1,0,1,0,0|1,0,1]=4 116 B9R1.15 COc1ccccc1N AS01503 [0,1,0,1,0,0|1,0,1]=4 117 B9R1.15 COc1ccncc1Br AS04703 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.15 COc1ccncc1Cl AS04708 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.15 CSc1ccccc1Br AS04291 [0,1,0,1,0,0|1,0,1]=4 120 B9R1.15 CSc1ccccc1Cl AS04287 [0,1,0,1,0,0|1,0,1]=4 121 B9R1.15 CSc1ccccc1F AS04284 [0,1,0,1,0,0|1,0,1]=4 122 B9R1.15 CSc1ccccc1I AS04299 [0,1,0,1,0,0|1,0,1]=4 123 B9R1.15 CSc1ccccc1N AS04281 [0,1,0,1,0,0|1,0,1]=4 124 B9R1.15 CSc1ccccc1O AS04298 [0,1,0,1,0,0|0,0,2]=4 125 B9R1.15 Cc1ccccc1C=O AS02777 [0,1,0,1,0,0|0,0,1]=3 126 B9R1.15 Cc1ccccc1CBr AS02052 [0,1,0,1,0,0|1,0,1]=4 127 B9R1.15 Cc1ccccc1CCl AS03843 [0,1,0,1,0,0|1,0,1]=4 128 B9R1.15 Cc1ccccc1CN AS00380 [0,1,0,1,0,0|1,0,1]=4 129 B9R1.15 Cc1ccccc1NN AS02962 [0,1,0,1,0,0|1,0,1]=4 130 B9R1.15 Cc1ccccc1OC AS01015 [0,1,0,1,0,0|0,0,2]=4 131 B9R1.15 Cc1ccccc1SC AS04306 [0,1,0,1,0,0|0,1,1]=4 132 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [0,1,0,1,0,0|0,0,2]=4 133 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [0,1,0,1,0,0|0,0,2]=4 134 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [0,1,0,1,0,0|0,0,2]=4 135 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [0,1,0,1,0,0|0,0,2]=4 136 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [0,1,0,1,0,0|0,0,2]=4 137 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [0,1,0,1,0,0|0,0,2]=4 138 B9R1.15 c1ccc(c(c1)CBr)Br AS02057 [0,1,0,1,0,0|1,0,1]=4 139 B9R1.15 c1ccc(c(c1)CBr)Cl AS02065 [0,1,0,1,0,0|1,0,1]=4 140 B9R1.15 c1ccc(c(c1)CBr)F AS00662 [0,1,0,1,0,0|1,0,1]=4 141 B9R1.15 c1ccc(c(c1)CBr)I AS00633 [0,1,0,1,0,0|1,0,1]=4 142 B9R1.15 c1ccc(c(c1)CCl)F AS00659 [0,1,0,1,0,0|1,0,1]=4 143 B9R1.15 c1ccc(c(c1)CN)Br AS02252 [0,1,0,1,0,0|1,0,1]=4 144 B9R1.15 c1ccc(c(c1)CN)Br AS03101 [0,1,0,1,0,0|1,0,1]=4 145 B9R1.15 c1ccc(c(c1)CN)Cl AS00369 [0,1,0,1,0,0|1,0,1]=4 146 B9R1.15 c1ccc(c(c1)CN)Cl AS02687 [0,1,0,1,0,0|1,0,1]=4 147 B9R1.15 c1ccc(c(c1)CN)F AS00832 [0,1,0,1,0,0|1,0,1]=4 148 B9R1.15 c1ccc(c(c1)CN)F AS01936 [0,1,0,1,0,0|1,0,1]=4 149 B9R1.15 c1ccc(c(c1)CN)I AS02221 [0,1,0,1,0,0|1,0,1]=4 150 B9R1.15 c1ccc(c(c1)CN)I AS02299 [0,1,0,1,0,0|1,0,1]=4 151 B9R1.15 c1ccc(c(c1)CN)N AS06598 [0,1,0,1,0,0|1,0,1]=4 152 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [0,1,0,1,0,0|1,0,1]=4 153 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [0,1,0,1,0,0|1,0,1]=4 154 B9R1.15 c1ccc(c(c1)CO)F AS03976 [0,1,0,1,0,0|1,0,1]=4 155 B9R1.15 c1ccc(c(c1)CO)I AS03985 [0,1,0,1,0,0|1,0,1]=4 156 B9R1.15 c1ccc(c(c1)CO)N AS00575 [0,1,0,1,0,0|1,0,1]=4 157 B9R1.15 c1ccc(c(c1)CO)O AS00547 [0,1,0,1,0,0|0,0,2]=4 158 B9R1.69 Cc1cc(ccc1Br)Br AS00106 [0,1,0,1,0,0|1,0,1]=4 159 B9R1.69 Cc1cc(ccc1Br)Cl AS03173 [0,1,0,1,0,0|1,0,1]=4 160 B9R1.69 Cc1cc(ccc1Br)F AS01019 [0,1,0,1,0,0|1,0,1]=4 161 B9R1.69 Cc1cc(ccc1Br)I AS03372 [0,1,0,1,0,0|1,0,1]=4 162 B9R1.69 Cc1cc(ccc1Br)N AS03419 [0,1,0,1,0,0|1,0,1]=4 163 B9R1.69 Cc1cc(ccc1Br)N AS04116 [0,1,0,1,0,0|1,0,1]=4 164 B9R1.69 Cc1cc(ccc1Br)N AS06933 [0,1,0,1,0,0|1,0,1]=4 165 B9R1.69 Cc1cc(ccc1Br)O AS06856 [0,1,0,1,0,0|1,0,1]=4 166 B9R1.69 Cc1cc(ccc1Cl)Br AS00100 [0,1,0,1,0,0|1,0,1]=4 167 B9R1.69 Cc1cc(ccc1Cl)Cl AS02895 [0,1,0,1,0,0|1,0,1]=4 168 B9R1.69 Cc1cc(ccc1Cl)F AS02757 [0,1,0,1,0,0|1,0,1]=4 169 B9R1.69 Cc1cc(ccc1Cl)I AS03077 [0,1,0,1,0,0|1,0,1]=4 170 B9R1.69 Cc1cc(ccc1Cl)N AS02804 [0,1,0,1,0,0|1,0,1]=4 171 B9R1.69 Cc1cc(ccc1Cl)N AS02805 [0,1,0,1,0,0|1,0,1]=4 172 B9R1.69 Cc1cc(ccc1F)Br AS03336 [0,1,0,1,0,0|1,0,1]=4 173 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [0,1,0,1,0,0|1,0,1]=4 174 B9R1.69 Cc1cc(ccc1F)F AS02070 [0,1,0,1,0,0|1,0,1]=4 175 B9R1.69 Cc1cc(ccc1F)I AS02074 [0,1,0,1,0,0|1,0,1]=4 176 B9R1.69 Cc1cc(ccc1F)N AS03242 [0,1,0,1,0,0|1,0,1]=4 177 B9R1.69 Cc1cc(ccc1F)O AS01400 [0,1,0,1,0,0|1,0,1]=4 178 B9R1.69 Cc1cc(ccc1I)Br AS03379 [0,1,0,1,0,0|1,0,1]=4 179 B9R1.69 Cc1cc(ccc1I)Cl AS00124 [0,1,0,1,0,0|1,0,1]=4 180 B9R1.69 Cc1cc(ccc1I)F AS02194 [0,1,0,1,0,0|1,0,1]=4 181 B9R1.69 Cc1cc(ccc1I)I AS02148 [0,1,0,1,0,0|1,0,1]=4 182 B9R1.69 Cc1cc(ccc1I)O AS04647 [0,1,0,1,0,0|1,0,1]=4 183 B9R1.69 Cc1cc(ccc1N)Br AS00449 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.69 Cc1cc(ccc1N)Br AS03418 [0,1,0,1,0,0|1,0,1]=4 185 B9R1.69 Cc1cc(ccc1N)Cl AS00413 [0,1,0,1,0,0|1,0,1]=4 186 B9R1.69 Cc1cc(ccc1N)F AS04091 [0,1,0,1,0,0|1,0,1]=4 187 B9R1.69 Cc1cc(ccc1N)I AS02257 [0,1,0,1,0,0|1,0,1]=4 188 B9R1.69 Cc1cc(ccc1O)Br AS00228 [0,1,0,1,0,0|0,0,2]=4 189 B9R1.69 Cc1cc(ccc1O)Br AS06250 [0,1,0,1,0,0|0,0,2]=4 190 B9R1.69 Cc1cc(ccc1O)Cl AS02822 [0,1,0,1,0,0|0,0,2]=4 191 B9R1.69 Cc1cc(ccc1O)F AS01399 [0,1,0,1,0,0|0,0,2]=4 192 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [0,1,0,1,0,0|1,0,1]=4 193 B9R1.69 Cc1ccc(c(c1)C)Br AS03232 [0,1,0,1,0,0|1,0,1]=4 194 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.69 Cc1ccc(c(c1)C)Cl AS02702 [0,1,0,1,0,0|1,0,1]=4 196 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [0,1,0,1,0,0|1,0,1]=4 197 B9R1.69 Cc1ccc(c(c1)C)I AS02153 [0,1,0,1,0,0|1,0,1]=4 198 B9R1.69 Cc1ccc(c(c1)C)N AS01548 [0,1,0,1,0,0|1,0,1]=4 199 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [0,1,0,1,0,0|1,0,1]=4 200 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [0,1,0,1,0,0|1,0,1]=4 201 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [0,1,0,1,0,0|0,0,2]=4 202 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [0,1,0,1,0,0|0,1,1]=4 203 B9R1.69 Cc1ccc(cc1Br)Br AS00135 [0,1,0,1,0,0|1,0,1]=4 204 B9R1.69 Cc1ccc(cc1Br)Cl AS00104 [0,1,0,1,0,0|1,0,1]=4 205 B9R1.69 Cc1ccc(cc1Br)F AS01018 [0,1,0,1,0,0|1,0,1]=4 206 B9R1.69 Cc1ccc(cc1Br)I AS03371 [0,1,0,1,0,0|1,0,1]=4 207 B9R1.69 Cc1ccc(cc1Br)N AS04061 [0,1,0,1,0,0|1,0,1]=4 208 B9R1.69 Cc1ccc(cc1Br)O AS06517 [0,1,0,1,0,0|1,0,1]=4 209 B9R1.69 Cc1ccc(cc1C)Br AS03659 [0,1,0,1,0,0|1,0,1]=4 210 B9R1.69 Cc1ccc(cc1C)Cl AS02704 [0,1,0,1,0,0|1,0,1]=4 211 B9R1.69 Cc1ccc(cc1C)F AS00280 [0,1,0,1,0,0|1,0,1]=4 212 B9R1.69 Cc1ccc(cc1C)I AS02151 [0,1,0,1,0,0|1,0,1]=4 213 B9R1.69 Cc1ccc(cc1C)N AS07069 [0,1,0,1,0,0|1,0,1]=4 214 B9R1.69 Cc1ccc(cc1Cl)Br AS00171 [0,1,0,1,0,0|1,0,1]=4 215 B9R1.69 Cc1ccc(cc1Cl)F AS01022 [0,1,0,1,0,0|1,0,1]=4 216 B9R1.69 Cc1ccc(cc1Cl)I AS03076 [0,1,0,1,0,0|1,0,1]=4 217 B9R1.69 Cc1ccc(cc1Cl)N AS03227 [0,1,0,1,0,0|1,0,1]=4 218 B9R1.69 Cc1ccc(cc1Cl)O AS00234 [0,1,0,1,0,0|1,0,1]=4 219 B9R1.69 Cc1ccc(cc1F)Br AS00241 [0,1,0,1,0,0|1,0,1]=4 220 B9R1.69 Cc1ccc(cc1F)Cl AS02759 [0,1,0,1,0,0|1,0,1]=4 221 B9R1.69 Cc1ccc(cc1F)F AS02069 [0,1,0,1,0,0|1,0,1]=4 222 B9R1.69 Cc1ccc(cc1F)I AS02189 [0,1,0,1,0,0|1,0,1]=4 223 B9R1.69 Cc1ccc(cc1F)N AS00436 [0,1,0,1,0,0|1,0,1]=4 224 B9R1.69 Cc1ccc(cc1F)O AS01398 [0,1,0,1,0,0|1,0,1]=4 225 B9R1.69 Cc1ccc(cc1I)Br AS03377 [0,1,0,1,0,0|1,0,1]=4 226 B9R1.69 Cc1ccc(cc1I)Cl AS03079 [0,1,0,1,0,0|1,0,1]=4 227 B9R1.69 Cc1ccc(cc1I)F AS02192 [0,1,0,1,0,0|1,0,1]=4 228 B9R1.69 Cc1ccc(cc1I)I AS02147 [0,1,0,1,0,0|1,0,1]=4 229 B9R1.69 Cc1ccc(cc1I)N AS02256 [0,1,0,1,0,0|1,0,1]=4 230 B9R1.69 Cc1ccc(cc1N)Br AS00457 [0,1,0,1,0,0|1,0,1]=4 231 B9R1.69 Cc1ccc(cc1N)Cl AS04751 [0,1,0,1,0,0|1,0,1]=4 232 B9R1.69 Cc1ccc(cc1N)F AS00350 [0,1,0,1,0,0|1,0,1]=4 233 B9R1.69 Cc1ccc(cc1N)I AS02328 [0,1,0,1,0,0|1,0,1]=4 234 B9R1.69 Cc1ccc(cc1N)O AS01352 [0,1,0,1,0,0|1,0,1]=4 235 B9R1.69 Cc1ccc(cc1N)O AS02087 [0,1,0,1,0,0|1,0,1]=4 236 B9R1.69 Cc1ccc(cc1O)Br AS04653 [0,1,0,1,0,0|0,0,2]=4 237 B9R1.69 Cc1ccc(cc1O)Cl AS02823 [0,1,0,1,0,0|0,0,2]=4 238 B9R1.69 Cc1ccc(cc1O)F AS00890 [0,1,0,1,0,0|0,0,2]=4 239 B9R1.69 Cc1ccc(cc1O)N AS05434 [0,1,0,1,0,0|0,0,2]=4 240 B9R1.69 Cc1ccc(cc1O)O AS06296 [0,1,0,1,0,0|0,0,2]=4 241 B9R1.14 c1csc(c1C=O)C=O AS06747 [0,1,0,1,0,0|1,0,1]=4 242 B9R1.1 CCc1ccc(cc1)Br AS03254 [0,1,0,1,0,0|1,0,0]=3 243 B9R1.1 CCc1ccc(cc1)F AS04424 [0,1,0,1,0,0|1,0,0]=3 244 B9R1.1 CCc1ccc(cc1)I AS02159 [0,1,0,1,0,0|1,0,0]=3 245 B9R1.1 CNc1ccc(cc1)I AS05390 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.1 COc1ccc(cc1)Br AS02358 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.1 COc1ccc(cc1)Cl AS01802 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.1 COc1ccc(cc1)F AS02586 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.1 COc1ccc(cc1)I AS02208 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.1 COc1ccc(cc1)O AS04576 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.1 COc1ccc(cn1)Br AS03404 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.1 COc1ccc(cn1)F AS04877 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.1 CSc1ccc(cc1)Br AS04293 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.1 CSc1ccc(cc1)Cl AS04289 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.1 CSc1ccc(cc1)F AS04286 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.1 CSc1ccc(cc1)N AS04283 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.1 Cc1ccc(cc1)C=O AS02824 [0,1,0,1,0,0|0,0,2]=4 258 B9R1.1 Cc1ccc(cc1)CCl AS00637 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.1 Cc1ccc(cc1)SC AS04302 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.1 c1cc(ccc1C=O)Br AS02893 [0,1,0,1,0,0|0,0,2]=4 261 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [0,1,0,1,0,0|0,0,2]=4 262 B9R1.1 c1cc(ccc1C=O)F AS02846 [0,1,0,1,0,0|0,0,2]=4 263 B9R1.1 c1cc(ccc1C=O)F AS03001 [0,1,0,1,0,0|0,0,2]=4 264 B9R1.1 c1cc(ccc1C=O)I AS03916 [0,1,0,1,0,0|0,0,2]=4 265 B9R1.1 c1cc(ccc1C=O)N AS06990 [0,1,0,1,0,0|0,0,2]=4 266 B9R1.1 c1cc(ccc1C=O)O AS02994 [0,1,0,1,0,0|0,0,2]=4 267 B9R1.1 c1cc(ccc1CBr)Br AS02044 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.1 c1cc(ccc1CBr)F AS00664 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.1 c1cc(ccc1CBr)I AS00645 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.1 c1cc(ccc1CCl)Br AS00646 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.1 c1cc(ccc1CCl)F AS00660 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.1 c1cc(ccc1CCl)F AS02054 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.1 c1cc(ccc1CN)Br AS02268 [0,1,0,1,0,0|2,0,0]=4 275 B9R1.1 c1cc(ccc1CN)Br AS03103 [0,1,0,1,0,0|2,0,0]=4 276 B9R1.1 c1cc(ccc1CN)Br AS06970 [0,1,0,1,0,0|2,0,0]=4 277 B9R1.1 c1cc(ccc1CN)Cl AS00379 [0,1,0,1,0,0|2,0,0]=4 278 B9R1.1 c1cc(ccc1CN)Cl AS02689 [0,1,0,1,0,0|2,0,0]=4 279 B9R1.1 c1cc(ccc1CN)F AS00834 [0,1,0,1,0,0|2,0,0]=4 280 B9R1.1 c1cc(ccc1CN)F AS01938 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.1 c1cc(ccc1CN)I AS02223 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.1 c1cc(ccc1CN)I AS02301 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.1 c1cc(ccc1CO)Br AS03954 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.1 c1cc(ccc1CO)Cl AS03965 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.1 c1cc(ccc1CO)F AS03978 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.1 c1cc(ccc1CO)I AS00604 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.1 c1cc(ccc1CO)I AS03987 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.1 c1cc(ccc1CO)N AS00548 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.1 c1cc(ccc1CO)O AS00576 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.1 c1cc(ncc1C=O)Br AS06180 [0,1,0,1,0,0|1,0,1]=4 291 B9R1.3 Cc1c(cccc1Br)Br AS03583 [0,1,0,1,0,0|1,0,1]=4 292 B9R1.3 Cc1c(cccc1Br)Cl AS00103 [0,1,0,1,0,0|1,0,1]=4 293 B9R1.3 Cc1c(cccc1Br)F AS03334 [0,1,0,1,0,0|1,0,1]=4 294 B9R1.3 Cc1c(cccc1Br)N AS04060 [0,1,0,1,0,0|1,0,1]=4 295 B9R1.3 Cc1c(cccc1Cl)Cl AS02896 [0,1,0,1,0,0|1,0,1]=4 296 B9R1.3 Cc1c(cccc1Cl)F AS00105 [0,1,0,1,0,0|1,0,1]=4 297 B9R1.3 Cc1c(cccc1Cl)N AS05331 [0,1,0,1,0,0|1,0,1]=4 298 B9R1.3 Cc1c(cccc1Cl)O AS02821 [0,1,0,1,0,0|0,0,2]=4 299 B9R1.3 Cc1c(cccc1F)F AS00141 [0,1,0,1,0,0|1,0,1]=4 300 B9R1.3 Cc1c(cccc1F)N AS04090 [0,1,0,1,0,0|1,0,1]=4 301 B9R1.3 Cc1c(cccc1F)O AS01397 [0,1,0,1,0,0|0,0,2]=4 302 B9R1.3 Cc1c(cccc1I)Br AS03373 [0,1,0,1,0,0|1,0,1]=4 303 B9R1.3 Cc1c(cccc1I)Cl AS01025 [0,1,0,1,0,0|1,0,1]=4 304 B9R1.3 Cc1c(cccc1I)F AS02190 [0,1,0,1,0,0|1,0,1]=4 305 B9R1.3 Cc1cccc(c1Br)Br AS03582 [0,1,0,1,0,0|1,0,1]=4 306 B9R1.3 Cc1cccc(c1Br)C AS00265 [0,1,0,1,0,0|1,0,1]=4 307 B9R1.3 Cc1cccc(c1Br)F AS02047 [0,1,0,1,0,0|1,0,1]=4 308 B9R1.3 Cc1cccc(c1Br)I AS03370 [0,1,0,1,0,0|1,0,1]=4 309 B9R1.3 Cc1cccc(c1Br)N AS03411 [0,1,0,1,0,0|1,0,1]=4 310 B9R1.3 Cc1cccc(c1C)Br AS00263 [0,1,0,1,0,0|1,0,1]=4 311 B9R1.3 Cc1cccc(c1C)Cl AS02701 [0,1,0,1,0,0|1,0,1]=4 312 B9R1.3 Cc1cccc(c1C)F AS01577 [0,1,0,1,0,0|1,0,1]=4 313 B9R1.3 Cc1cccc(c1C)I AS02150 [0,1,0,1,0,0|1,0,1]=4 314 B9R1.3 Cc1cccc(c1C)N AS01547 [0,1,0,1,0,0|1,0,1]=4 315 B9R1.3 Cc1cccc(c1C)O AS00199 [0,1,0,1,0,0|0,0,2]=4 316 B9R1.3 Cc1cccc(c1Cl)Br AS03174 [0,1,0,1,0,0|1,0,1]=4 317 B9R1.3 Cc1cccc(c1Cl)C AS02706 [0,1,0,1,0,0|1,0,1]=4 318 B9R1.3 Cc1cccc(c1Cl)Cl AS02894 [0,1,0,1,0,0|1,0,1]=4 319 B9R1.3 Cc1cccc(c1Cl)I AS03075 [0,1,0,1,0,0|1,0,1]=4 320 B9R1.3 Cc1cccc(c1Cl)N AS02803 [0,1,0,1,0,0|1,0,1]=4 321 B9R1.3 Cc1cccc(c1F)Br AS02051 [0,1,0,1,0,0|1,0,1]=4 322 B9R1.3 Cc1cccc(c1F)C AS01578 [0,1,0,1,0,0|1,0,1]=4 323 B9R1.3 Cc1cccc(c1F)Cl AS02063 [0,1,0,1,0,0|1,0,1]=4 324 B9R1.3 Cc1cccc(c1F)F AS02068 [0,1,0,1,0,0|1,0,1]=4 325 B9R1.3 Cc1cccc(c1F)I AS02073 [0,1,0,1,0,0|1,0,1]=4 326 B9R1.3 Cc1cccc(c1F)N AS04088 [0,1,0,1,0,0|1,0,1]=4 327 B9R1.3 Cc1cccc(c1F)O AS01396 [0,1,0,1,0,0|1,0,1]=4 328 B9R1.3 Cc1cccc(c1I)Br AS03374 [0,1,0,1,0,0|1,0,1]=4 329 B9R1.3 Cc1cccc(c1I)C AS02152 [0,1,0,1,0,0|1,0,1]=4 330 B9R1.3 Cc1cccc(c1I)Cl AS03078 [0,1,0,1,0,0|1,0,1]=4 331 B9R1.3 Cc1cccc(c1I)F AS02032 [0,1,0,1,0,0|1,0,1]=4 332 B9R1.3 Cc1cccc(c1I)F AS05019 [0,1,0,1,0,0|1,0,1]=4 333 B9R1.3 Cc1cccc(c1I)I AS02146 [0,1,0,1,0,0|1,0,1]=4 334 B9R1.3 Cc1cccc(c1I)N AS02254 [0,1,0,1,0,0|1,0,1]=4 335 B9R1.3 Cc1cccc(c1I)O AS06519 [0,1,0,1,0,0|1,0,1]=4 336 B9R1.3 Cc1cccc(c1N)Br AS05299 [0,1,0,1,0,0|1,0,1]=4 337 B9R1.3 Cc1cccc(c1N)C AS01550 [0,1,0,1,0,0|1,0,1]=4 338 B9R1.3 Cc1cccc(c1N)Cl AS06940 [0,1,0,1,0,0|1,0,1]=4 339 B9R1.3 Cc1cccc(c1N)F AS04089 [0,1,0,1,0,0|1,0,1]=4 340 B9R1.3 Cc1cccc(c1N)N AS00446 [0,1,0,1,0,0|1,0,1]=4 341 B9R1.3 Cc1cccc(c1N)O AS05432 [0,1,0,1,0,0|1,0,1]=4 342 B9R1.3 Cc1cccc(c1O)C AS00179 [0,1,0,1,0,0|0,0,2]=4 343 B9R1.3 Cc1cccc(c1O)Cl AS04496 [0,1,0,1,0,0|0,0,2]=4 344 B9R1.3 Cc1cccc(c1O)F AS05495 [0,1,0,1,0,0|0,0,2]=4 345 B9R1.6 C1C[C@@H](CC=C1)C(=O)O AS04442 [0,1,0,1,0,0|0,0,2]=4 346 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [0,1,0,1,0,0|0,0,2]=4 347 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [0,1,0,1,0,0|0,0,2]=4 348 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [0,1,0,1,0,0|0,0,2]=4