0 B8R1.4 Cc1cc(cnc1)Br AS04920 [0,0,0,1,0,0|3,0,0]=4 1 B8R1.4 Cc1cccc(c1)Br AS03472 [0,0,0,1,0,0|2,0,0]=3 2 B8R1.4 Cc1cccc(c1)Cl AS02842 [0,0,0,1,0,0|2,0,0]=3 3 B8R1.4 Cc1cccc(c1)F AS06924 [0,0,0,1,0,0|2,0,0]=3 4 B8R1.4 Cc1cccc(c1)I AS02293 [0,0,0,1,0,0|2,0,0]=3 5 B8R1.4 Cc1cccc(c1)N AS06930 [0,0,0,1,0,0|2,0,0]=3 6 B8R1.4 Cc1cccc(c1)S AS00077 [0,0,0,1,0,0|1,1,0]=3 7 B8R1.4 Cc1cccc(n1)Br AS04907 [0,0,0,1,0,0|2,0,0]=3 8 B8R1.4 Cc1cccc(n1)C AS04947 [0,0,0,1,0,0|2,0,0]=3 9 B8R1.4 Cc1cccc(n1)F AS04851 [0,0,0,1,0,0|2,0,0]=3 10 B8R1.4 Cc1ccnc(c1)Br AS04905 [0,0,0,1,0,0|3,0,0]=4 11 B8R1.4 Cc1ccnc(c1)Cl AS04706 [0,0,0,1,0,0|3,0,0]=4 12 B8R1.4 Cc1ccnc(c1)F AS04730 [0,0,0,1,0,0|3,0,0]=4 13 B8R1.4 c1cc(cc(c1)Br)Br AS03513 [0,0,0,1,0,0|3,0,0]=4 14 B8R1.4 c1cc(cc(c1)Br)Cl AS03127 [0,0,0,1,0,0|3,0,0]=4 15 B8R1.4 c1cc(cc(c1)Br)F AS03288 [0,0,0,1,0,0|3,0,0]=4 16 B8R1.4 c1cc(cc(c1)Br)N AS00407 [0,0,0,1,0,0|3,0,0]=4 17 B8R1.4 c1cc(cc(c1)Br)O AS00214 [0,0,0,1,0,0|2,0,0]=3 18 B8R1.4 c1cc(cc(c1)Cl)Cl AS00251 [0,0,0,1,0,0|3,0,0]=4 19 B8R1.4 c1cc(cc(c1)Cl)F AS00258 [0,0,0,1,0,0|3,0,0]=4 20 B8R1.4 c1cc(cc(c1)Cl)N AS04638 [0,0,0,1,0,0|3,0,0]=4 21 B8R1.4 c1cc(cc(c1)Cl)O AS02833 [0,0,0,1,0,0|2,0,0]=3 22 B8R1.4 c1cc(cc(c1)F)F AS00253 [0,0,0,1,0,0|3,0,0]=4 23 B8R1.4 c1cc(cc(c1)F)N AS00826 [0,0,0,1,0,0|3,0,0]=4 24 B8R1.4 c1cc(cc(c1)F)N AS06739 [0,0,0,1,0,0|3,0,0]=4 25 B8R1.4 c1cc(cc(c1)F)O AS00206 [0,0,0,1,0,0|2,0,0]=3 26 B8R1.4 c1cc(cc(c1)F)O AS00892 [0,0,0,1,0,0|2,0,0]=3 27 B8R1.4 c1cc(cc(c1)I)Br AS03361 [0,0,0,1,0,0|3,0,0]=4 28 B8R1.4 c1cc(cc(c1)I)Cl AS03062 [0,0,0,1,0,0|3,0,0]=4 29 B8R1.4 c1cc(cc(c1)I)F AS02179 [0,0,0,1,0,0|3,0,0]=4 30 B8R1.4 c1cc(cc(c1)I)I AS02130 [0,0,0,1,0,0|3,0,0]=4 31 B8R1.4 c1cc(cc(c1)I)N AS00421 [0,0,0,1,0,0|3,0,0]=4 32 B8R1.4 c1cc(cc(c1)I)O AS02284 [0,0,0,1,0,0|2,0,0]=3 33 B8R1.4 c1cc(cc(c1)N)N AS06865 [0,0,0,1,0,0|3,0,0]=4 34 B8R1.4 c1cc(cc(c1)O)N AS00213 [0,0,0,1,0,0|2,0,0]=3 35 B8R1.4 c1cc(nc(c1)Br)Cl AS04699 [0,0,0,1,0,0|3,0,0]=4 36 B8R1.4 c1cc(nc(c1)Br)F AS04787 [0,0,0,1,0,0|3,0,0]=4 37 B8R1.4 c1cc(nc(c1)Br)O AS04913 [0,0,0,1,0,0|2,0,0]=3 38 B8R1.4 c1cc(nc(c1)Cl)F AS04818 [0,0,0,1,0,0|3,0,0]=4 39 B8R1.4 c1cc(nc(c1)F)F AS04884 [0,0,0,1,0,0|3,0,0]=4 40 B8R1.7 B(c1cccs1)(O)O AS06041 [0,0,0,1,0,0|2,0,1]=4 41 B8R1.7 c1nc([nH]n1)C(=O)O AS00569 [0,0,0,1,0,0|3,0,0]=4 42 B9R0.24 COC(=O)C=CC(=O)OC AS01220 [0,2,0,0,0,0|1,0,0]=3 43 B7R1.3 c1ccc(cc1)I AS02214 [1,0,0,1,0,0|2,0,0]=4 44 B7R1.3 c1ccc(cc1)I AS04509 [1,0,0,1,0,0|2,0,0]=4 45 B7R1.3 c1ccc(cc1)S AS04135 [1,0,0,1,0,0|1,1,0]=4 46 B7R1.3 c1ccnc(c1)Cl AS06184 [1,0,0,1,0,0|2,0,0]=4 47 B7R1.3 c1ccnc(c1)F AS04826 [1,0,0,1,0,0|2,0,0]=4 48 B7R1.1 c1cc([nH]c1)C=O AS06197 [1,0,0,1,0,0|1,0,0]=3 49 B7R1.4 Cc1cscc1Br AS06573 [1,0,0,1,0,0|2,0,0]=4 50 B9R1.34 Cc1cc(cc(c1)Br)Br AS00125 [0,1,0,1,0,0|2,0,0]=4 51 B9R1.34 Cc1cc(cc(c1)Br)C AS03234 [0,1,0,1,0,0|2,0,0]=4 52 B9R1.34 Cc1cc(cc(c1)Br)Cl AS03664 [0,1,0,1,0,0|2,0,0]=4 53 B9R1.34 Cc1cc(cc(c1)Br)F AS01020 [0,1,0,1,0,0|2,0,0]=4 54 B9R1.34 Cc1cc(cc(c1)Br)N AS03667 [0,1,0,1,0,0|2,0,0]=4 55 B9R1.34 Cc1cc(cc(c1)Br)O AS05454 [0,1,0,1,0,0|1,0,0]=3 56 B9R1.34 Cc1cc(cc(c1)Cl)C AS02705 [0,1,0,1,0,0|2,0,0]=4 57 B9R1.34 Cc1cc(cc(c1)Cl)Cl AS06320 [0,1,0,1,0,0|2,0,0]=4 58 B9R1.34 Cc1cc(cc(c1)Cl)N AS06942 [0,1,0,1,0,0|2,0,0]=4 59 B9R1.34 Cc1cc(cc(c1)F)C AS01579 [0,1,0,1,0,0|2,0,0]=4 60 B9R1.34 Cc1cc(cc(c1)F)F AS02072 [0,1,0,1,0,0|2,0,0]=4 61 B9R1.34 Cc1cc(cc(c1)F)N AS03243 [0,1,0,1,0,0|2,0,0]=4 62 B9R1.34 Cc1cc(cc(c1)I)Br AS03376 [0,1,0,1,0,0|2,0,0]=4 63 B9R1.34 Cc1cc(cc(c1)I)C AS02154 [0,1,0,1,0,0|2,0,0]=4 64 B9R1.34 Cc1cc(cc(c1)I)F AS02075 [0,1,0,1,0,0|2,0,0]=4 65 B9R1.34 Cc1cc(cc(c1)O)C AS00190 [0,1,0,1,0,0|1,0,0]=3 66 B9R1.34 Cc1cc(cc(c1)S)C AS04133 [0,1,0,1,0,0|1,1,0]=4 67 B9R1.34 c1c(cc(cc1Br)Br)O AS00158 [0,1,0,1,0,0|2,0,0]=4 68 B9R1.34 c1c(cc(cc1Cl)Br)O AS03168 [0,1,0,1,0,0|2,0,0]=4 69 B9R1.34 c1c(cc(cc1Cl)Cl)O AS00184 [0,1,0,1,0,0|2,0,0]=4 70 B9R1.34 c1c(cc(cc1F)Br)O AS01363 [0,1,0,1,0,0|2,0,0]=4 71 B9R1.34 c1c(cc(cc1F)Cl)O AS00393 [0,1,0,1,0,0|2,0,0]=4 72 B9R1.34 c1c(cc(cc1F)F)O AS00208 [0,1,0,1,0,0|2,0,0]=4 73 B9R1.34 c1c(cc(cc1O)Br)O AS05459 [0,1,0,1,0,0|2,0,0]=4 74 B9R1.34 c1c(cc(cc1O)O)O AS04650 [0,1,0,1,0,0|2,0,0]=4 75 B9R1.1 COc1ccc(cc1)O AS04576 [0,1,0,1,0,0|2,0,0]=4 76 B9R1.1 c1cc(ccc1C=O)O AS02994 [0,1,0,1,0,0|2,0,0]=4 77 B9R1.2 CCc1cccc(c1)Br AS03253 [0,1,0,1,0,0|2,0,0]=4 78 B9R1.2 CCc1cccc(c1)N AS00465 [0,1,0,1,0,0|2,0,0]=4 79 B9R1.2 CCc1cccc(c1)O AS04468 [0,1,0,1,0,0|1,0,0]=3 80 B9R1.2 CNc1cccc(c1)O AS06505 [0,1,0,1,0,0|1,0,0]=3 81 B9R1.2 COc1cccc(c1)Br AS04314 [0,1,0,1,0,0|2,0,0]=4 82 B9R1.2 COc1cccc(c1)Cl AS02677 [0,1,0,1,0,0|2,0,0]=4 83 B9R1.2 COc1cccc(c1)F AS02585 [0,1,0,1,0,0|2,0,0]=4 84 B9R1.2 COc1cccc(c1)I AS02207 [0,1,0,1,0,0|2,0,0]=4 85 B9R1.2 COc1cccc(c1)N AS01512 [0,1,0,1,0,0|2,0,0]=4 86 B9R1.2 COc1cccc(c1)O AS00218 [0,1,0,1,0,0|1,0,0]=3 87 B9R1.2 COc1cccc(c1)S AS00080 [0,1,0,1,0,0|1,1,0]=4 88 B9R1.2 COc1cccc(n1)Br AS04908 [0,1,0,1,0,0|2,0,0]=4 89 B9R1.2 CSc1cccc(c1)Br AS04292 [0,1,0,1,0,0|2,0,0]=4 90 B9R1.2 CSc1cccc(c1)Cl AS04288 [0,1,0,1,0,0|2,0,0]=4 91 B9R1.2 CSc1cccc(c1)F AS04285 [0,1,0,1,0,0|2,0,0]=4 92 B9R1.2 CSc1cccc(c1)I AS04300 [0,1,0,1,0,0|2,0,0]=4 93 B9R1.2 CSc1cccc(c1)N AS04282 [0,1,0,1,0,0|2,0,0]=4 94 B9R1.2 Cc1cccc(c1)C#N AS02590 [0,1,0,1,0,0|2,0,0]=4 95 B9R1.2 Cc1cccc(c1)C=O AS02785 [0,1,0,1,0,0|1,0,0]=3 96 B9R1.2 Cc1cccc(c1)CCl AS00628 [0,1,0,1,0,0|2,0,0]=4 97 B9R1.2 Cc1cccc(c1)CF AS05991 [0,1,0,1,0,0|2,0,0]=4 98 B9R1.2 Cc1cccc(c1)CN AS00385 [0,1,0,1,0,0|2,0,0]=4 99 B9R1.2 Cc1cccc(c1)OC AS01016 [0,1,0,1,0,0|1,0,0]=3 100 B9R1.2 Cc1cccc(c1)SC AS04308 [0,1,0,1,0,0|1,1,0]=4 101 B9R1.2 c1cc(cc(c1)Br)C=O AS02864 [0,1,0,1,0,0|2,0,0]=4 102 B9R1.2 c1cc(cc(c1)Br)CBr AS00624 [0,1,0,1,0,0|2,0,0]=4 103 B9R1.2 c1cc(cc(c1)Br)CN AS02267 [0,1,0,1,0,0|2,0,0]=4 104 B9R1.2 c1cc(cc(c1)Br)CN AS03102 [0,1,0,1,0,0|2,0,0]=4 105 B9R1.2 c1cc(cc(c1)Br)CO AS03953 [0,1,0,1,0,0|2,0,0]=4 106 B9R1.2 c1cc(cc(c1)Cl)C=O AS02776 [0,1,0,1,0,0|2,0,0]=4 107 B9R1.2 c1cc(cc(c1)Cl)CBr AS00001 [0,1,0,1,0,0|2,0,0]=4 108 B9R1.2 c1cc(cc(c1)Cl)CCl AS02066 [0,1,0,1,0,0|2,0,0]=4 109 B9R1.2 c1cc(cc(c1)Cl)CN AS00386 [0,1,0,1,0,0|2,0,0]=4 110 B9R1.2 c1cc(cc(c1)Cl)CN AS02688 [0,1,0,1,0,0|2,0,0]=4 111 B9R1.2 c1cc(cc(c1)Cl)CO AS03964 [0,1,0,1,0,0|2,0,0]=4 112 B9R1.2 c1cc(cc(c1)F)C=O AS03000 [0,1,0,1,0,0|2,0,0]=4 113 B9R1.2 c1cc(cc(c1)F)CBr AS00663 [0,1,0,1,0,0|2,0,0]=4 114 B9R1.2 c1cc(cc(c1)F)CCl AS00661 [0,1,0,1,0,0|2,0,0]=4 115 B9R1.2 c1cc(cc(c1)F)CF AS05720 [0,1,0,1,0,0|2,0,0]=4 116 B9R1.2 c1cc(cc(c1)F)CN AS00833 [0,1,0,1,0,0|2,0,0]=4 117 B9R1.2 c1cc(cc(c1)F)CN AS01937 [0,1,0,1,0,0|2,0,0]=4 118 B9R1.2 c1cc(cc(c1)F)CO AS03977 [0,1,0,1,0,0|2,0,0]=4 119 B9R1.2 c1cc(cc(c1)I)C=O AS03915 [0,1,0,1,0,0|2,0,0]=4 120 B9R1.2 c1cc(cc(c1)I)CBr AS00643 [0,1,0,1,0,0|2,0,0]=4 121 B9R1.2 c1cc(cc(c1)I)CN AS02222 [0,1,0,1,0,0|2,0,0]=4 122 B9R1.2 c1cc(cc(c1)I)CN AS02300 [0,1,0,1,0,0|2,0,0]=4 123 B9R1.2 c1cc(cc(c1)I)CO AS03986 [0,1,0,1,0,0|2,0,0]=4 124 B9R1.2 c1cc(cc(c1)N)CO AS00403 [0,1,0,1,0,0|2,0,0]=4 125 B9R1.2 c1cc(cc(c1)O)C#N AS02649 [0,1,0,1,0,0|1,0,1]=4 126 B9R1.2 c1cc(cc(c1)O)CO AS00159 [0,1,0,1,0,0|1,0,0]=3 127 B9R1.2 c1cc(nc(c1)Br)CO AS04914 [0,1,0,1,0,0|2,0,0]=4 128 B9R1.3 Cc1c(cccc1Cl)O AS02821 [0,1,0,1,0,0|2,0,0]=4 129 B9R1.3 Cc1c(cccc1F)O AS01397 [0,1,0,1,0,0|2,0,0]=4 130 B9R1.3 Cc1cccc(c1Br)Br AS03582 [0,1,0,1,0,0|2,0,0]=4 131 B9R1.3 Cc1cccc(c1Br)C AS00265 [0,1,0,1,0,0|2,0,0]=4 132 B9R1.3 Cc1cccc(c1Br)F AS02047 [0,1,0,1,0,0|2,0,0]=4 133 B9R1.3 Cc1cccc(c1Br)I AS03370 [0,1,0,1,0,0|2,0,0]=4 134 B9R1.3 Cc1cccc(c1Br)N AS03411 [0,1,0,1,0,0|2,0,0]=4 135 B9R1.3 Cc1cccc(c1C)Br AS00263 [0,1,0,1,0,0|2,0,0]=4 136 B9R1.3 Cc1cccc(c1C)Cl AS02701 [0,1,0,1,0,0|2,0,0]=4 137 B9R1.3 Cc1cccc(c1C)F AS01577 [0,1,0,1,0,0|2,0,0]=4 138 B9R1.3 Cc1cccc(c1C)I AS02150 [0,1,0,1,0,0|2,0,0]=4 139 B9R1.3 Cc1cccc(c1C)N AS01547 [0,1,0,1,0,0|2,0,0]=4 140 B9R1.3 Cc1cccc(c1C)O AS00199 [0,1,0,1,0,0|1,0,0]=3 141 B9R1.3 Cc1cccc(c1Cl)Br AS03174 [0,1,0,1,0,0|2,0,0]=4 142 B9R1.3 Cc1cccc(c1Cl)C AS02706 [0,1,0,1,0,0|2,0,0]=4 143 B9R1.3 Cc1cccc(c1Cl)Cl AS02894 [0,1,0,1,0,0|2,0,0]=4 144 B9R1.3 Cc1cccc(c1Cl)I AS03075 [0,1,0,1,0,0|2,0,0]=4 145 B9R1.3 Cc1cccc(c1Cl)N AS02803 [0,1,0,1,0,0|2,0,0]=4 146 B9R1.3 Cc1cccc(c1F)Br AS02051 [0,1,0,1,0,0|2,0,0]=4 147 B9R1.3 Cc1cccc(c1F)C AS01578 [0,1,0,1,0,0|2,0,0]=4 148 B9R1.3 Cc1cccc(c1F)Cl AS02063 [0,1,0,1,0,0|2,0,0]=4 149 B9R1.3 Cc1cccc(c1F)F AS02068 [0,1,0,1,0,0|2,0,0]=4 150 B9R1.3 Cc1cccc(c1F)I AS02073 [0,1,0,1,0,0|2,0,0]=4 151 B9R1.3 Cc1cccc(c1F)N AS04088 [0,1,0,1,0,0|2,0,0]=4 152 B9R1.3 Cc1cccc(c1F)O AS01396 [0,1,0,1,0,0|1,0,0]=3 153 B9R1.3 Cc1cccc(c1I)Br AS03374 [0,1,0,1,0,0|2,0,0]=4 154 B9R1.3 Cc1cccc(c1I)C AS02152 [0,1,0,1,0,0|2,0,0]=4 155 B9R1.3 Cc1cccc(c1I)Cl AS03078 [0,1,0,1,0,0|2,0,0]=4 156 B9R1.3 Cc1cccc(c1I)F AS02032 [0,1,0,1,0,0|2,0,0]=4 157 B9R1.3 Cc1cccc(c1I)F AS05019 [0,1,0,1,0,0|2,0,0]=4 158 B9R1.3 Cc1cccc(c1I)I AS02146 [0,1,0,1,0,0|2,0,0]=4 159 B9R1.3 Cc1cccc(c1I)N AS02254 [0,1,0,1,0,0|2,0,0]=4 160 B9R1.3 Cc1cccc(c1I)O AS06519 [0,1,0,1,0,0|1,0,0]=3 161 B9R1.3 Cc1cccc(c1N)Br AS05299 [0,1,0,1,0,0|2,0,0]=4 162 B9R1.3 Cc1cccc(c1N)C AS01550 [0,1,0,1,0,0|2,0,0]=4 163 B9R1.3 Cc1cccc(c1N)Cl AS06940 [0,1,0,1,0,0|2,0,0]=4 164 B9R1.3 Cc1cccc(c1N)F AS04089 [0,1,0,1,0,0|2,0,0]=4 165 B9R1.3 Cc1cccc(c1N)N AS00446 [0,1,0,1,0,0|2,0,0]=4 166 B9R1.3 Cc1cccc(c1N)O AS05432 [0,1,0,1,0,0|1,0,0]=3 167 B9R1.3 Cc1cccc(c1O)C AS00179 [0,1,0,1,0,0|1,0,0]=3 168 B9R1.3 Cc1cccc(c1O)Cl AS04496 [0,1,0,1,0,0|1,0,0]=3 169 B9R1.3 Cc1cccc(c1O)F AS05495 [0,1,0,1,0,0|1,0,0]=3 170 B9R1.3 c1cc(c(c(c1)Br)Br)O AS05478 [0,1,0,1,0,0|2,0,0]=4 171 B9R1.3 c1cc(c(c(c1)Br)Cl)O AS06539 [0,1,0,1,0,0|2,0,0]=4 172 B9R1.3 c1cc(c(c(c1)Br)F)O AS05444 [0,1,0,1,0,0|2,0,0]=4 173 B9R1.3 c1cc(c(c(c1)Br)I)O AS05449 [0,1,0,1,0,0|2,0,0]=4 174 B9R1.3 c1cc(c(c(c1)Br)N)O AS05407 [0,1,0,1,0,0|2,0,0]=4 175 B9R1.3 c1cc(c(c(c1)Br)O)Br AS06977 [0,1,0,1,0,0|2,0,0]=4 176 B9R1.3 c1cc(c(c(c1)Br)O)Cl AS06586 [0,1,0,1,0,0|2,0,0]=4 177 B9R1.3 c1cc(c(c(c1)Br)O)F AS00388 [0,1,0,1,0,0|2,0,0]=4 178 B9R1.3 c1cc(c(c(c1)Br)O)N AS04649 [0,1,0,1,0,0|2,0,0]=4 179 B9R1.3 c1cc(c(c(c1)Cl)F)O AS01377 [0,1,0,1,0,0|2,0,0]=4 180 B9R1.3 c1cc(c(c(c1)Cl)I)O AS05467 [0,1,0,1,0,0|2,0,0]=4 181 B9R1.3 c1cc(c(c(c1)Cl)O)Cl AS04577 [0,1,0,1,0,0|2,0,0]=4 182 B9R1.3 c1cc(c(c(c1)Cl)O)F AS00394 [0,1,0,1,0,0|2,0,0]=4 183 B9R1.3 c1cc(c(c(c1)Cl)O)O AS06480 [0,1,0,1,0,0|1,0,1]=4 184 B9R1.3 c1cc(c(c(c1)F)Br)O AS00201 [0,1,0,1,0,0|2,0,0]=4 185 B9R1.3 c1cc(c(c(c1)F)Cl)O AS05465 [0,1,0,1,0,0|2,0,0]=4 186 B9R1.3 c1cc(c(c(c1)F)F)O AS00198 [0,1,0,1,0,0|2,0,0]=4 187 B9R1.3 c1cc(c(c(c1)F)O)F AS00191 [0,1,0,1,0,0|2,0,0]=4 188 B9R1.3 c1cc(c(c(c1)F)O)O AS01419 [0,1,0,1,0,0|1,0,1]=4 189 B9R1.3 c1cc(c(c(c1)I)O)Br AS06566 [0,1,0,1,0,0|2,0,0]=4 190 B9R1.3 c1cc(c(c(c1)I)O)Cl AS06544 [0,1,0,1,0,0|2,0,0]=4 191 B9R1.3 c1cc(c(c(c1)O)Cl)O AS06479 [0,1,0,1,0,0|2,0,0]=4 192 B9R1.3 c1cc(c(c(c1)O)F)O AS01418 [0,1,0,1,0,0|2,0,0]=4 193 B9R1.6 C1C[C@@H](CC=C1)C(=O)O AS04442 [0,1,0,1,0,0|0,0,2]=4 194 B9R1.6 c1ccc(cc1)C(=O)Cl AS00010 [0,1,0,1,0,0|1,0,1]=4 195 B9R1.6 c1ccc(cc1)C(=O)O AS04617 [0,1,0,1,0,0|0,0,1]=3 196 B9R1.6 c1ccc(cc1)C(=O)[O-] AS01250 [0,1,0,1,0,0|0,0,2]=4 197 B9R1.69 Cc1c(ccc(n1)Br)Br AS04946 [0,1,0,1,0,0|2,0,0]=4 198 B9R1.69 Cc1c(ccc(n1)Br)F AS04785 [0,1,0,1,0,0|2,0,0]=4 199 B9R1.69 Cc1c(ccc(n1)Cl)F AS04817 [0,1,0,1,0,0|2,0,0]=4 200 B9R1.69 Cc1c(ccc(n1)Cl)N AS04899 [0,1,0,1,0,0|2,0,0]=4 201 B9R1.69 Cc1c(ccc(n1)F)Br AS04802 [0,1,0,1,0,0|2,0,0]=4 202 B9R1.69 Cc1c(ccc(n1)N)Br AS04889 [0,1,0,1,0,0|2,0,0]=4 203 B9R1.69 Cc1c(ccc(n1)N)Cl AS04695 [0,1,0,1,0,0|2,0,0]=4 204 B9R1.69 Cc1cc(ccc1Br)Br AS00106 [0,1,0,1,0,0|2,0,0]=4 205 B9R1.69 Cc1cc(ccc1Br)Cl AS03173 [0,1,0,1,0,0|2,0,0]=4 206 B9R1.69 Cc1cc(ccc1Br)F AS01019 [0,1,0,1,0,0|2,0,0]=4 207 B9R1.69 Cc1cc(ccc1Br)I AS03372 [0,1,0,1,0,0|2,0,0]=4 208 B9R1.69 Cc1cc(ccc1Br)N AS03419 [0,1,0,1,0,0|2,0,0]=4 209 B9R1.69 Cc1cc(ccc1Br)N AS04116 [0,1,0,1,0,0|2,0,0]=4 210 B9R1.69 Cc1cc(ccc1Br)N AS06933 [0,1,0,1,0,0|2,0,0]=4 211 B9R1.69 Cc1cc(ccc1Br)O AS06856 [0,1,0,1,0,0|1,0,0]=3 212 B9R1.69 Cc1cc(ccc1Cl)Br AS00100 [0,1,0,1,0,0|2,0,0]=4 213 B9R1.69 Cc1cc(ccc1Cl)Cl AS02895 [0,1,0,1,0,0|2,0,0]=4 214 B9R1.69 Cc1cc(ccc1Cl)F AS02757 [0,1,0,1,0,0|2,0,0]=4 215 B9R1.69 Cc1cc(ccc1Cl)I AS03077 [0,1,0,1,0,0|2,0,0]=4 216 B9R1.69 Cc1cc(ccc1Cl)N AS02804 [0,1,0,1,0,0|2,0,0]=4 217 B9R1.69 Cc1cc(ccc1Cl)N AS02805 [0,1,0,1,0,0|2,0,0]=4 218 B9R1.69 Cc1cc(ccc1F)Br AS03336 [0,1,0,1,0,0|2,0,0]=4 219 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [0,1,0,1,0,0|2,0,0]=4 220 B9R1.69 Cc1cc(ccc1F)F AS02070 [0,1,0,1,0,0|2,0,0]=4 221 B9R1.69 Cc1cc(ccc1F)I AS02074 [0,1,0,1,0,0|2,0,0]=4 222 B9R1.69 Cc1cc(ccc1F)N AS03242 [0,1,0,1,0,0|2,0,0]=4 223 B9R1.69 Cc1cc(ccc1F)O AS01400 [0,1,0,1,0,0|1,0,0]=3 224 B9R1.69 Cc1cc(ccc1I)Br AS03379 [0,1,0,1,0,0|2,0,0]=4 225 B9R1.69 Cc1cc(ccc1I)Cl AS00124 [0,1,0,1,0,0|2,0,0]=4 226 B9R1.69 Cc1cc(ccc1I)F AS02194 [0,1,0,1,0,0|2,0,0]=4 227 B9R1.69 Cc1cc(ccc1I)I AS02148 [0,1,0,1,0,0|2,0,0]=4 228 B9R1.69 Cc1cc(ccc1I)O AS04647 [0,1,0,1,0,0|1,0,0]=3 229 B9R1.69 Cc1cc(ccc1N)Br AS00449 [0,1,0,1,0,0|2,0,0]=4 230 B9R1.69 Cc1cc(ccc1N)Br AS03418 [0,1,0,1,0,0|2,0,0]=4 231 B9R1.69 Cc1cc(ccc1N)Cl AS00413 [0,1,0,1,0,0|2,0,0]=4 232 B9R1.69 Cc1cc(ccc1N)F AS04091 [0,1,0,1,0,0|2,0,0]=4 233 B9R1.69 Cc1cc(ccc1N)I AS02257 [0,1,0,1,0,0|2,0,0]=4 234 B9R1.69 Cc1cc(ccc1O)Br AS00228 [0,1,0,1,0,0|2,0,0]=4 235 B9R1.69 Cc1cc(ccc1O)Br AS06250 [0,1,0,1,0,0|2,0,0]=4 236 B9R1.69 Cc1cc(ccc1O)Cl AS02822 [0,1,0,1,0,0|2,0,0]=4 237 B9R1.69 Cc1cc(ccc1O)F AS01399 [0,1,0,1,0,0|2,0,0]=4 238 B9R1.69 Cc1ccc(c(c1)Br)Br AS00240 [0,1,0,1,0,0|2,0,0]=4 239 B9R1.69 Cc1ccc(c(c1)Br)Br AS02027 [0,1,0,1,0,0|2,0,0]=4 240 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [0,1,0,1,0,0|2,0,0]=4 241 B9R1.69 Cc1ccc(c(c1)Br)Cl AS00084 [0,1,0,1,0,0|2,0,0]=4 242 B9R1.69 Cc1ccc(c(c1)Br)F AS03335 [0,1,0,1,0,0|2,0,0]=4 243 B9R1.69 Cc1ccc(c(c1)Br)I AS03375 [0,1,0,1,0,0|2,0,0]=4 244 B9R1.69 Cc1ccc(c(c1)Br)N AS03412 [0,1,0,1,0,0|2,0,0]=4 245 B9R1.69 Cc1ccc(c(c1)Br)N AS03417 [0,1,0,1,0,0|2,0,0]=4 246 B9R1.69 Cc1ccc(c(c1)C)Br AS03232 [0,1,0,1,0,0|2,0,0]=4 247 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [0,1,0,1,0,0|2,0,0]=4 248 B9R1.69 Cc1ccc(c(c1)C)Cl AS02702 [0,1,0,1,0,0|2,0,0]=4 249 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [0,1,0,1,0,0|2,0,0]=4 250 B9R1.69 Cc1ccc(c(c1)C)I AS02153 [0,1,0,1,0,0|2,0,0]=4 251 B9R1.69 Cc1ccc(c(c1)C)N AS01548 [0,1,0,1,0,0|2,0,0]=4 252 B9R1.69 Cc1ccc(c(c1)Cl)Br AS03175 [0,1,0,1,0,0|2,0,0]=4 253 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [0,1,0,1,0,0|2,0,0]=4 254 B9R1.69 Cc1ccc(c(c1)Cl)F AS02758 [0,1,0,1,0,0|2,0,0]=4 255 B9R1.69 Cc1ccc(c(c1)Cl)I AS00145 [0,1,0,1,0,0|2,0,0]=4 256 B9R1.69 Cc1ccc(c(c1)Cl)N AS05330 [0,1,0,1,0,0|2,0,0]=4 257 B9R1.69 Cc1ccc(c(c1)Cl)O AS02819 [0,1,0,1,0,0|2,0,0]=4 258 B9R1.69 Cc1ccc(c(c1)F)Br AS00304 [0,1,0,1,0,0|2,0,0]=4 259 B9R1.69 Cc1ccc(c(c1)F)Cl AS02760 [0,1,0,1,0,0|2,0,0]=4 260 B9R1.69 Cc1ccc(c(c1)F)F AS02071 [0,1,0,1,0,0|2,0,0]=4 261 B9R1.69 Cc1ccc(c(c1)F)I AS02191 [0,1,0,1,0,0|2,0,0]=4 262 B9R1.69 Cc1ccc(c(c1)F)N AS00425 [0,1,0,1,0,0|2,0,0]=4 263 B9R1.69 Cc1ccc(c(c1)I)Br AS03378 [0,1,0,1,0,0|2,0,0]=4 264 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [0,1,0,1,0,0|2,0,0]=4 265 B9R1.69 Cc1ccc(c(c1)I)F AS02193 [0,1,0,1,0,0|2,0,0]=4 266 B9R1.69 Cc1ccc(c(c1)I)I AS02149 [0,1,0,1,0,0|2,0,0]=4 267 B9R1.69 Cc1ccc(c(c1)I)N AS02255 [0,1,0,1,0,0|2,0,0]=4 268 B9R1.69 Cc1ccc(c(c1)N)Br AS06846 [0,1,0,1,0,0|2,0,0]=4 269 B9R1.69 Cc1ccc(c(c1)N)Br AS06967 [0,1,0,1,0,0|2,0,0]=4 270 B9R1.69 Cc1ccc(c(c1)N)Cl AS04682 [0,1,0,1,0,0|2,0,0]=4 271 B9R1.69 Cc1ccc(c(c1)N)Cl AS06932 [0,1,0,1,0,0|2,0,0]=4 272 B9R1.69 Cc1ccc(c(c1)N)F AS03240 [0,1,0,1,0,0|2,0,0]=4 273 B9R1.69 Cc1ccc(c(c1)N)I AS04099 [0,1,0,1,0,0|2,0,0]=4 274 B9R1.69 Cc1ccc(c(c1)O)Br AS00227 [0,1,0,1,0,0|1,0,0]=3 275 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [0,1,0,1,0,0|1,0,0]=3 276 B9R1.69 Cc1ccc(c(c1)O)Cl AS02820 [0,1,0,1,0,0|1,0,0]=3 277 B9R1.69 Cc1ccc(c(c1)O)F AS00182 [0,1,0,1,0,0|1,0,0]=3 278 B9R1.69 Cc1ccc(c(c1)O)O AS07054 [0,1,0,1,0,0|1,0,0]=3 279 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [0,1,0,1,0,0|1,1,0]=4 280 B9R1.69 Cc1ccc(c(n1)Br)F AS04789 [0,1,0,1,0,0|2,0,0]=4 281 B9R1.69 Cc1ccc(c(n1)Br)N AS04697 [0,1,0,1,0,0|2,0,0]=4 282 B9R1.69 Cc1ccc(c(n1)C)Br AS06965 [0,1,0,1,0,0|2,0,0]=4 283 B9R1.69 Cc1ccc(c(n1)Cl)Br AS04915 [0,1,0,1,0,0|2,0,0]=4 284 B9R1.69 Cc1ccc(c(n1)Cl)F AS04723 [0,1,0,1,0,0|2,0,0]=4 285 B9R1.69 Cc1ccc(c(n1)F)I AS04836 [0,1,0,1,0,0|2,0,0]=4 286 B9R1.69 Cc1ccc(c(n1)F)O AS04857 [0,1,0,1,0,0|2,0,0]=4 287 B9R1.69 Cc1ccc(c(n1)N)Br AS04887 [0,1,0,1,0,0|2,0,0]=4 288 B9R1.69 Cc1ccc(cc1Br)O AS06517 [0,1,0,1,0,0|2,0,0]=4 289 B9R1.69 Cc1ccc(cc1C)Br AS03659 [0,1,0,1,0,0|2,0,0]=4 290 B9R1.69 Cc1ccc(cc1C)Cl AS02704 [0,1,0,1,0,0|2,0,0]=4 291 B9R1.69 Cc1ccc(cc1C)F AS00280 [0,1,0,1,0,0|2,0,0]=4 292 B9R1.69 Cc1ccc(cc1C)I AS02151 [0,1,0,1,0,0|2,0,0]=4 293 B9R1.69 Cc1ccc(cc1C)N AS07069 [0,1,0,1,0,0|2,0,0]=4 294 B9R1.69 Cc1ccc(cc1Cl)O AS00234 [0,1,0,1,0,0|2,0,0]=4 295 B9R1.69 Cc1ccc(cc1F)O AS01398 [0,1,0,1,0,0|2,0,0]=4 296 B9R1.69 Cc1ccc(cc1N)O AS01352 [0,1,0,1,0,0|2,0,0]=4 297 B9R1.69 Cc1ccc(cc1N)O AS02087 [0,1,0,1,0,0|2,0,0]=4 298 B9R1.69 Cc1ccc(cc1O)Br AS04653 [0,1,0,1,0,0|2,0,0]=4 299 B9R1.69 Cc1ccc(cc1O)Cl AS02823 [0,1,0,1,0,0|2,0,0]=4 300 B9R1.69 Cc1ccc(cc1O)F AS00890 [0,1,0,1,0,0|2,0,0]=4 301 B9R1.69 Cc1ccc(cc1O)N AS05434 [0,1,0,1,0,0|2,0,0]=4 302 B9R1.69 Cc1ccc(cc1O)O AS06296 [0,1,0,1,0,0|2,0,0]=4 303 B9R1.69 c1cc(c(cc1Br)O)Br AS04420 [0,1,0,1,0,0|2,0,0]=4 304 B9R1.69 c1cc(c(cc1Br)O)Cl AS00161 [0,1,0,1,0,0|2,0,0]=4 305 B9R1.69 c1cc(c(cc1Br)O)F AS00226 [0,1,0,1,0,0|2,0,0]=4 306 B9R1.69 c1cc(c(cc1Br)O)N AS05408 [0,1,0,1,0,0|2,0,0]=4 307 B9R1.69 c1cc(c(cc1Cl)O)Cl AS02889 [0,1,0,1,0,0|2,0,0]=4 308 B9R1.69 c1cc(c(cc1Cl)O)F AS01380 [0,1,0,1,0,0|2,0,0]=4 309 B9R1.69 c1cc(c(cc1Cl)O)I AS03074 [0,1,0,1,0,0|2,0,0]=4 310 B9R1.69 c1cc(c(cc1F)O)Br AS00222 [0,1,0,1,0,0|2,0,0]=4 311 B9R1.69 c1cc(c(cc1F)O)Cl AS00194 [0,1,0,1,0,0|2,0,0]=4 312 B9R1.69 c1cc(c(cc1F)O)F AS00183 [0,1,0,1,0,0|2,0,0]=4 313 B9R1.69 c1cc(c(cc1F)O)I AS06580 [0,1,0,1,0,0|2,0,0]=4 314 B9R1.69 c1cc(c(cc1F)O)N AS01348 [0,1,0,1,0,0|2,0,0]=4 315 B9R1.69 c1cc(c(cc1F)O)O AS01420 [0,1,0,1,0,0|2,0,0]=4 316 B9R1.69 c1cc(c(cc1I)O)Cl AS03072 [0,1,0,1,0,0|2,0,0]=4 317 B9R1.69 c1cc(c(cc1I)O)I AS06590 [0,1,0,1,0,0|2,0,0]=4 318 B9R1.69 c1cc(c(cc1N)O)Cl AS05416 [0,1,0,1,0,0|2,0,0]=4 319 B9R1.69 c1cc(c(cc1O)Br)Br AS03581 [0,1,0,1,0,0|2,0,0]=4 320 B9R1.69 c1cc(c(cc1O)Br)Cl AS03167 [0,1,0,1,0,0|2,0,0]=4 321 B9R1.69 c1cc(c(cc1O)Br)F AS00390 [0,1,0,1,0,0|2,0,0]=4 322 B9R1.69 c1cc(c(cc1O)Cl)Br AS00225 [0,1,0,1,0,0|2,0,0]=4 323 B9R1.69 c1cc(c(cc1O)Cl)Cl AS00195 [0,1,0,1,0,0|2,0,0]=4 324 B9R1.69 c1cc(c(cc1O)Cl)F AS00392 [0,1,0,1,0,0|2,0,0]=4 325 B9R1.69 c1cc(c(cc1O)Cl)I AS06504 [0,1,0,1,0,0|2,0,0]=4 326 B9R1.69 c1cc(c(cc1O)Cl)N AS05415 [0,1,0,1,0,0|2,0,0]=4 327 B9R1.69 c1cc(c(cc1O)Cl)N AS06974 [0,1,0,1,0,0|2,0,0]=4 328 B9R1.69 c1cc(c(cc1O)Cl)O AS02779 [0,1,0,1,0,0|2,0,0]=4 329 B9R1.69 c1cc(c(cc1O)F)Br AS00389 [0,1,0,1,0,0|2,0,0]=4 330 B9R1.69 c1cc(c(cc1O)F)Cl AS00396 [0,1,0,1,0,0|2,0,0]=4 331 B9R1.69 c1cc(c(cc1O)F)F AS00210 [0,1,0,1,0,0|2,0,0]=4 332 B9R1.69 c1cc(c(cc1O)F)I AS06570 [0,1,0,1,0,0|2,0,0]=4 333 B9R1.69 c1cc(c(cc1O)F)N AS01351 [0,1,0,1,0,0|2,0,0]=4 334 B9R1.69 c1cc(c(cc1O)I)Cl AS03073 [0,1,0,1,0,0|2,0,0]=4 335 B9R1.69 c1cc(c(cc1O)I)Cl AS05469 [0,1,0,1,0,0|2,0,0]=4 336 B9R1.69 c1cc(c(cc1O)N)F AS01349 [0,1,0,1,0,0|2,0,0]=4 337 B9R1.69 c1cc(c(cc1O)O)F AS05497 [0,1,0,1,0,0|2,0,0]=4 338 B9R1.69 c1cc(c(cc1O)O)N AS05427 [0,1,0,1,0,0|2,0,0]=4 339 B9R1.69 c1cc(c(cc1O)O)O AS00200 [0,1,0,1,0,0|2,0,0]=4