0 B9R1.69 Cc1cc(c(nc1)Br)F AS04783 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.69 Cc1cc(c(nc1)Cl)F AS04806 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.69 Cc1cc(c(nc1)F)Br AS04792 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.69 Cc1cc(c(nc1)F)I AS04837 [0,0,0,0,0,0|2,0,1]=3 4 B9R1.69 Cc1cc(ccc1Br)Br AS00106 [0,0,0,0,0,0|4,0,0]=4 5 B9R1.69 Cc1cc(ccc1Br)Cl AS03173 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1cc(ccc1Br)F AS01019 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 Cc1cc(ccc1Br)I AS03372 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.69 Cc1cc(ccc1Br)N AS03419 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 Cc1cc(ccc1Br)N AS04116 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 Cc1cc(ccc1Br)N AS06933 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 Cc1cc(ccc1Br)O AS06856 [0,0,0,0,0,0|4,0,0]=4 12 B9R1.69 Cc1cc(ccc1Cl)Br AS00100 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.69 Cc1cc(ccc1Cl)Cl AS02895 [0,0,0,0,0,0|4,0,0]=4 14 B9R1.69 Cc1cc(ccc1Cl)F AS02757 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.69 Cc1cc(ccc1Cl)I AS03077 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.69 Cc1cc(ccc1Cl)N AS02804 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.69 Cc1cc(ccc1Cl)N AS02805 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.69 Cc1cc(ccc1F)Br AS03336 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.69 Cc1cc(ccc1F)Cl AS04754 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.69 Cc1cc(ccc1F)F AS02070 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.69 Cc1cc(ccc1F)I AS02074 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.69 Cc1cc(ccc1F)N AS03242 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.69 Cc1cc(ccc1F)O AS01400 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.69 Cc1cc(ccc1I)Br AS03379 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.69 Cc1cc(ccc1I)Cl AS00124 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.69 Cc1cc(ccc1I)F AS02194 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 Cc1cc(ccc1I)I AS02148 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 Cc1cc(ccc1I)O AS04647 [0,0,0,0,0,0|4,0,0]=4 29 B9R1.69 Cc1cc(ccc1N)Br AS00449 [0,0,0,0,0,0|4,0,0]=4 30 B9R1.69 Cc1cc(ccc1N)Br AS03418 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.69 Cc1cc(ccc1N)Cl AS00413 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.69 Cc1cc(ccc1N)F AS04091 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.69 Cc1cc(ccc1N)I AS02257 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.69 Cc1cc(ccc1O)Br AS00228 [0,0,0,0,0,0|3,0,1]=4 35 B9R1.69 Cc1cc(ccc1O)Br AS06250 [0,0,0,0,0,0|3,0,1]=4 36 B9R1.69 Cc1cc(ccc1O)Cl AS02822 [0,0,0,0,0,0|3,0,1]=4 37 B9R1.69 Cc1cc(ccc1O)F AS01399 [0,0,0,0,0,0|3,0,1]=4 38 B9R1.69 Cc1cc(cnc1Br)F AS04784 [0,0,0,0,0,0|3,0,1]=4 39 B9R1.69 Cc1cc(cnc1Cl)Br AS04923 [0,0,0,0,0,0|3,0,1]=4 40 B9R1.69 Cc1cc(cnc1F)N AS04779 [0,0,0,0,0,0|3,0,1]=4 41 B9R1.69 Cc1cc(cnc1N)Br AS00905 [0,0,0,0,0,0|3,0,1]=4 42 B9R1.69 Cc1ccc(c(c1)Br)Br AS00240 [0,0,0,0,0,0|3,0,0]=3 43 B9R1.69 Cc1ccc(c(c1)Br)Br AS02027 [0,0,0,0,0,0|3,0,0]=3 44 B9R1.69 Cc1ccc(c(c1)Br)C AS00264 [0,0,0,0,0,0|3,0,0]=3 45 B9R1.69 Cc1ccc(c(c1)Br)Cl AS00084 [0,0,0,0,0,0|3,0,0]=3 46 B9R1.69 Cc1ccc(c(c1)Br)F AS03335 [0,0,0,0,0,0|3,0,0]=3 47 B9R1.69 Cc1ccc(c(c1)Br)I AS03375 [0,0,0,0,0,0|3,0,0]=3 48 B9R1.69 Cc1ccc(c(c1)Br)N AS03412 [0,0,0,0,0,0|3,0,0]=3 49 B9R1.69 Cc1ccc(c(c1)Br)N AS03417 [0,0,0,0,0,0|3,0,0]=3 50 B9R1.69 Cc1ccc(c(c1)C)Br AS03232 [0,0,0,0,0,0|3,0,0]=3 51 B9R1.69 Cc1ccc(c(c1)C)C AS00262 [0,0,0,0,0,0|3,0,0]=3 52 B9R1.69 Cc1ccc(c(c1)C)Cl AS02702 [0,0,0,0,0,0|3,0,0]=3 53 B9R1.69 Cc1ccc(c(c1)C)F AS00279 [0,0,0,0,0,0|3,0,0]=3 54 B9R1.69 Cc1ccc(c(c1)C)I AS02153 [0,0,0,0,0,0|3,0,0]=3 55 B9R1.69 Cc1ccc(c(c1)C)N AS01548 [0,0,0,0,0,0|3,0,0]=3 56 B9R1.69 Cc1ccc(c(c1)Cl)Br AS03175 [0,0,0,0,0,0|3,0,0]=3 57 B9R1.69 Cc1ccc(c(c1)Cl)C AS02703 [0,0,0,0,0,0|3,0,0]=3 58 B9R1.69 Cc1ccc(c(c1)Cl)F AS02758 [0,0,0,0,0,0|3,0,0]=3 59 B9R1.69 Cc1ccc(c(c1)Cl)I AS00145 [0,0,0,0,0,0|3,0,0]=3 60 B9R1.69 Cc1ccc(c(c1)Cl)N AS05330 [0,0,0,0,0,0|3,0,0]=3 61 B9R1.69 Cc1ccc(c(c1)Cl)O AS02819 [0,0,0,0,0,0|2,0,1]=3 62 B9R1.69 Cc1ccc(c(c1)F)Br AS00304 [0,0,0,0,0,0|3,0,0]=3 63 B9R1.69 Cc1ccc(c(c1)F)Cl AS02760 [0,0,0,0,0,0|3,0,0]=3 64 B9R1.69 Cc1ccc(c(c1)F)F AS02071 [0,0,0,0,0,0|3,0,0]=3 65 B9R1.69 Cc1ccc(c(c1)F)I AS02191 [0,0,0,0,0,0|3,0,0]=3 66 B9R1.69 Cc1ccc(c(c1)F)N AS00425 [0,0,0,0,0,0|3,0,0]=3 67 B9R1.69 Cc1ccc(c(c1)I)Br AS03378 [0,0,0,0,0,0|3,0,0]=3 68 B9R1.69 Cc1ccc(c(c1)I)C AS02155 [0,0,0,0,0,0|3,0,0]=3 69 B9R1.69 Cc1ccc(c(c1)I)F AS02193 [0,0,0,0,0,0|3,0,0]=3 70 B9R1.69 Cc1ccc(c(c1)I)I AS02149 [0,0,0,0,0,0|3,0,0]=3 71 B9R1.69 Cc1ccc(c(c1)I)N AS02255 [0,0,0,0,0,0|3,0,0]=3 72 B9R1.69 Cc1ccc(c(c1)N)Br AS06846 [0,0,0,0,0,0|3,0,0]=3 73 B9R1.69 Cc1ccc(c(c1)N)Br AS06967 [0,0,0,0,0,0|3,0,0]=3 74 B9R1.69 Cc1ccc(c(c1)N)Cl AS04682 [0,0,0,0,0,0|3,0,0]=3 75 B9R1.69 Cc1ccc(c(c1)N)Cl AS06932 [0,0,0,0,0,0|3,0,0]=3 76 B9R1.69 Cc1ccc(c(c1)N)F AS03240 [0,0,0,0,0,0|3,0,0]=3 77 B9R1.69 Cc1ccc(c(c1)N)I AS04099 [0,0,0,0,0,0|3,0,0]=3 78 B9R1.69 Cc1ccc(c(c1)O)Br AS00227 [0,0,0,0,0,0|2,0,0]=2 79 B9R1.69 Cc1ccc(c(c1)O)C AS00223 [0,0,0,0,0,0|2,0,0]=2 80 B9R1.69 Cc1ccc(c(c1)O)Cl AS02820 [0,0,0,0,0,0|2,0,0]=2 81 B9R1.69 Cc1ccc(c(c1)O)F AS00182 [0,0,0,0,0,0|2,0,0]=2 82 B9R1.69 Cc1ccc(c(c1)O)O AS07054 [0,0,0,0,0,0|1,0,1]=2 83 B9R1.69 Cc1ccc(c(c1)S)C AS00079 [0,0,0,0,0,0|2,1,0]=3 84 B9R1.69 Cc1ccc(c(n1)Br)F AS04789 [0,0,0,0,0,0|4,0,0]=4 85 B9R1.69 Cc1ccc(c(n1)Br)N AS04697 [0,0,0,0,0,0|4,0,0]=4 86 B9R1.69 Cc1ccc(c(n1)C)Br AS06965 [0,0,0,0,0,0|4,0,0]=4 87 B9R1.69 Cc1ccc(c(n1)Cl)Br AS04915 [0,0,0,0,0,0|4,0,0]=4 88 B9R1.69 Cc1ccc(c(n1)Cl)F AS04723 [0,0,0,0,0,0|4,0,0]=4 89 B9R1.69 Cc1ccc(c(n1)F)I AS04836 [0,0,0,0,0,0|4,0,0]=4 90 B9R1.69 Cc1ccc(c(n1)F)O AS04857 [0,0,0,0,0,0|3,0,1]=4 91 B9R1.69 Cc1ccc(c(n1)N)Br AS04887 [0,0,0,0,0,0|4,0,0]=4 92 B9R1.69 Cc1ccc(cc1Br)Br AS00135 [0,0,0,0,0,0|4,0,0]=4 93 B9R1.69 Cc1ccc(cc1Br)Cl AS00104 [0,0,0,0,0,0|4,0,0]=4 94 B9R1.69 Cc1ccc(cc1Br)F AS01018 [0,0,0,0,0,0|4,0,0]=4 95 B9R1.69 Cc1ccc(cc1Br)I AS03371 [0,0,0,0,0,0|4,0,0]=4 96 B9R1.69 Cc1ccc(cc1Br)N AS04061 [0,0,0,0,0,0|4,0,0]=4 97 B9R1.69 Cc1ccc(cc1Br)O AS06517 [0,0,0,0,0,0|4,0,0]=4 98 B9R1.69 Cc1ccc(cc1C)Br AS03659 [0,0,0,0,0,0|4,0,0]=4 99 B9R1.69 Cc1ccc(cc1C)Cl AS02704 [0,0,0,0,0,0|4,0,0]=4 100 B9R1.69 Cc1ccc(cc1C)F AS00280 [0,0,0,0,0,0|4,0,0]=4 101 B9R1.69 Cc1ccc(cc1C)I AS02151 [0,0,0,0,0,0|4,0,0]=4 102 B9R1.69 Cc1ccc(cc1C)N AS07069 [0,0,0,0,0,0|4,0,0]=4 103 B9R1.69 Cc1ccc(cc1Cl)Br AS00171 [0,0,0,0,0,0|4,0,0]=4 104 B9R1.69 Cc1ccc(cc1Cl)F AS01022 [0,0,0,0,0,0|4,0,0]=4 105 B9R1.69 Cc1ccc(cc1Cl)I AS03076 [0,0,0,0,0,0|4,0,0]=4 106 B9R1.69 Cc1ccc(cc1Cl)N AS03227 [0,0,0,0,0,0|4,0,0]=4 107 B9R1.69 Cc1ccc(cc1Cl)O AS00234 [0,0,0,0,0,0|4,0,0]=4 108 B9R1.69 Cc1ccc(cc1F)Br AS00241 [0,0,0,0,0,0|4,0,0]=4 109 B9R1.69 Cc1ccc(cc1F)Cl AS02759 [0,0,0,0,0,0|4,0,0]=4 110 B9R1.69 Cc1ccc(cc1F)F AS02069 [0,0,0,0,0,0|4,0,0]=4 111 B9R1.69 Cc1ccc(cc1F)I AS02189 [0,0,0,0,0,0|4,0,0]=4 112 B9R1.69 Cc1ccc(cc1F)N AS00436 [0,0,0,0,0,0|4,0,0]=4 113 B9R1.69 Cc1ccc(cc1F)O AS01398 [0,0,0,0,0,0|4,0,0]=4 114 B9R1.69 Cc1ccc(cc1I)Br AS03377 [0,0,0,0,0,0|4,0,0]=4 115 B9R1.69 Cc1ccc(cc1I)Cl AS03079 [0,0,0,0,0,0|4,0,0]=4 116 B9R1.69 Cc1ccc(cc1I)F AS02192 [0,0,0,0,0,0|4,0,0]=4 117 B9R1.69 Cc1ccc(cc1I)I AS02147 [0,0,0,0,0,0|4,0,0]=4 118 B9R1.69 Cc1ccc(cc1I)N AS02256 [0,0,0,0,0,0|4,0,0]=4 119 B9R1.69 Cc1ccc(cc1N)Br AS00457 [0,0,0,0,0,0|4,0,0]=4 120 B9R1.69 Cc1ccc(cc1N)Cl AS04751 [0,0,0,0,0,0|4,0,0]=4 121 B9R1.69 Cc1ccc(cc1N)F AS00350 [0,0,0,0,0,0|4,0,0]=4 122 B9R1.69 Cc1ccc(cc1N)I AS02328 [0,0,0,0,0,0|4,0,0]=4 123 B9R1.69 Cc1ccc(cc1N)O AS01352 [0,0,0,0,0,0|4,0,0]=4 124 B9R1.69 Cc1ccc(cc1N)O AS02087 [0,0,0,0,0,0|4,0,0]=4 125 B9R1.69 Cc1ccc(cc1O)Br AS04653 [0,0,0,0,0,0|3,0,0]=3 126 B9R1.69 Cc1ccc(cc1O)Cl AS02823 [0,0,0,0,0,0|3,0,0]=3 127 B9R1.69 Cc1ccc(cc1O)F AS00890 [0,0,0,0,0,0|3,0,0]=3 128 B9R1.69 Cc1ccc(cc1O)N AS05434 [0,0,0,0,0,0|3,0,0]=3 129 B9R1.69 Cc1ccc(cc1O)O AS06296 [0,0,0,0,0,0|3,0,0]=3 130 B9R1.69 c1c(cnc(c1Br)Br)F AS04726 [0,0,0,0,0,0|3,0,1]=4 131 B9R1.69 c1c(cnc(c1Br)N)Cl AS04694 [0,0,0,0,0,0|3,0,1]=4 132 B9R1.69 c1c(cnc(c1Cl)Br)Cl AS04911 [0,0,0,0,0,0|3,0,1]=4 133 B9R1.69 c1c(cnc(c1F)Br)F AS04717 [0,0,0,0,0,0|3,0,1]=4 134 B9R1.69 c1c(cnc(c1F)Cl)Br AS04720 [0,0,0,0,0,0|3,0,1]=4 135 B9R1.69 c1c(cnc(c1F)Cl)O AS04812 [0,0,0,0,0,0|3,0,1]=4 136 B9R1.69 c1c(cnc(c1N)Br)F AS04715 [0,0,0,0,0,0|3,0,1]=4 137 B9R1.69 c1c(cnc(c1N)N)Br AS06181 [0,0,0,0,0,0|3,0,1]=4 138 B9R1.69 c1cc(c(cc1Br)Br)Br AS03654 [0,0,0,0,0,0|4,0,0]=4 139 B9R1.69 c1cc(c(cc1Br)Br)Cl AS03480 [0,0,0,0,0,0|4,0,0]=4 140 B9R1.69 c1cc(c(cc1Br)Br)F AS03550 [0,0,0,0,0,0|4,0,0]=4 141 B9R1.69 c1cc(c(cc1Br)Br)I AS03563 [0,0,0,0,0,0|4,0,0]=4 142 B9R1.69 c1cc(c(cc1Br)Br)N AS00467 [0,0,0,0,0,0|4,0,0]=4 143 B9R1.69 c1cc(c(cc1Br)Cl)Br AS03481 [0,0,0,0,0,0|4,0,0]=4 144 B9R1.69 c1cc(c(cc1Br)Cl)Cl AS03185 [0,0,0,0,0,0|4,0,0]=4 145 B9R1.69 c1cc(c(cc1Br)Cl)F AS03144 [0,0,0,0,0,0|4,0,0]=4 146 B9R1.69 c1cc(c(cc1Br)Cl)I AS03153 [0,0,0,0,0,0|4,0,0]=4 147 B9R1.69 c1cc(c(cc1Br)Cl)N AS00435 [0,0,0,0,0,0|4,0,0]=4 148 B9R1.69 c1cc(c(cc1Br)Cl)O AS03169 [0,0,0,0,0,0|3,0,1]=4 149 B9R1.69 c1cc(c(cc1Br)F)Br AS03552 [0,0,0,0,0,0|4,0,0]=4 150 B9R1.69 c1cc(c(cc1Br)F)Cl AS01225 [0,0,0,0,0,0|4,0,0]=4 151 B9R1.69 c1cc(c(cc1Br)F)F AS03202 [0,0,0,0,0,0|4,0,0]=4 152 B9R1.69 c1cc(c(cc1Br)F)I AS03315 [0,0,0,0,0,0|4,0,0]=4 153 B9R1.69 c1cc(c(cc1Br)F)N AS03241 [0,0,0,0,0,0|4,0,0]=4 154 B9R1.69 c1cc(c(cc1Br)F)N AS03271 [0,0,0,0,0,0|4,0,0]=4 155 B9R1.69 c1cc(c(cc1Br)F)O AS00212 [0,0,0,0,0,0|3,0,1]=4 156 B9R1.69 c1cc(c(cc1Br)F)S AS05515 [0,0,0,0,0,0|3,1,0]=4 157 B9R1.69 c1cc(c(cc1Br)I)Br AS03564 [0,0,0,0,0,0|4,0,0]=4 158 B9R1.69 c1cc(c(cc1Br)I)Cl AS03156 [0,0,0,0,0,0|4,0,0]=4 159 B9R1.69 c1cc(c(cc1Br)I)I AS03212 [0,0,0,0,0,0|4,0,0]=4 160 B9R1.69 c1cc(c(cc1Br)I)N AS03351 [0,0,0,0,0,0|4,0,0]=4 161 B9R1.69 c1cc(c(cc1Br)I)O AS05450 [0,0,0,0,0,0|3,0,1]=4 162 B9R1.69 c1cc(c(cc1Br)N)Br AS00471 [0,0,0,0,0,0|4,0,0]=4 163 B9R1.69 c1cc(c(cc1Br)N)Cl AS00433 [0,0,0,0,0,0|4,0,0]=4 164 B9R1.69 c1cc(c(cc1Br)N)F AS03273 [0,0,0,0,0,0|4,0,0]=4 165 B9R1.69 c1cc(c(cc1Br)N)F AS04054 [0,0,0,0,0,0|4,0,0]=4 166 B9R1.69 c1cc(c(cc1Br)N)F AS05296 [0,0,0,0,0,0|4,0,0]=4 167 B9R1.69 c1cc(c(cc1Br)N)I AS03352 [0,0,0,0,0,0|4,0,0]=4 168 B9R1.69 c1cc(c(cc1Br)N)N AS00456 [0,0,0,0,0,0|4,0,0]=4 169 B9R1.69 c1cc(c(cc1Br)N)O AS00170 [0,0,0,0,0,0|3,0,1]=4 170 B9R1.69 c1cc(c(cc1Br)O)Br AS04420 [0,0,0,0,0,0|3,0,0]=3 171 B9R1.69 c1cc(c(cc1Br)O)Cl AS00161 [0,0,0,0,0,0|3,0,0]=3 172 B9R1.69 c1cc(c(cc1Br)O)F AS00226 [0,0,0,0,0,0|3,0,0]=3 173 B9R1.69 c1cc(c(cc1Br)O)N AS05408 [0,0,0,0,0,0|3,0,0]=3 174 B9R1.69 c1cc(c(cc1Cl)Br)Br AS03482 [0,0,0,0,0,0|4,0,0]=4 175 B9R1.69 c1cc(c(cc1Cl)Br)Br AS06883 [0,0,0,0,0,0|4,0,0]=4 176 B9R1.69 c1cc(c(cc1Cl)Br)Cl AS03183 [0,0,0,0,0,0|4,0,0]=4 177 B9R1.69 c1cc(c(cc1Cl)Br)F AS03148 [0,0,0,0,0,0|4,0,0]=4 178 B9R1.69 c1cc(c(cc1Cl)Br)I AS03155 [0,0,0,0,0,0|4,0,0]=4 179 B9R1.69 c1cc(c(cc1Cl)Br)N AS01555 [0,0,0,0,0,0|4,0,0]=4 180 B9R1.69 c1cc(c(cc1Cl)Br)O AS03166 [0,0,0,0,0,0|3,0,1]=4 181 B9R1.69 c1cc(c(cc1Cl)Cl)Br AS03182 [0,0,0,0,0,0|4,0,0]=4 182 B9R1.69 c1cc(c(cc1Cl)Cl)F AS02870 [0,0,0,0,0,0|4,0,0]=4 183 B9R1.69 c1cc(c(cc1Cl)Cl)I AS03086 [0,0,0,0,0,0|4,0,0]=4 184 B9R1.69 c1cc(c(cc1Cl)Cl)N AS01519 [0,0,0,0,0,0|4,0,0]=4 185 B9R1.69 c1cc(c(cc1Cl)F)Br AS03146 [0,0,0,0,0,0|4,0,0]=4 186 B9R1.69 c1cc(c(cc1Cl)F)Cl AS02871 [0,0,0,0,0,0|4,0,0]=4 187 B9R1.69 c1cc(c(cc1Cl)F)F AS02694 [0,0,0,0,0,0|4,0,0]=4 188 B9R1.69 c1cc(c(cc1Cl)F)I AS03049 [0,0,0,0,0,0|4,0,0]=4 189 B9R1.69 c1cc(c(cc1Cl)F)N AS00315 [0,0,0,0,0,0|4,0,0]=4 190 B9R1.69 c1cc(c(cc1Cl)F)O AS00395 [0,0,0,0,0,0|3,0,1]=4 191 B9R1.69 c1cc(c(cc1Cl)I)Br AS00283 [0,0,0,0,0,0|4,0,0]=4 192 B9R1.69 c1cc(c(cc1Cl)I)Cl AS03088 [0,0,0,0,0,0|4,0,0]=4 193 B9R1.69 c1cc(c(cc1Cl)I)I AS03040 [0,0,0,0,0,0|4,0,0]=4 194 B9R1.69 c1cc(c(cc1Cl)I)N AS00455 [0,0,0,0,0,0|4,0,0]=4 195 B9R1.69 c1cc(c(cc1Cl)I)O AS05468 [0,0,0,0,0,0|3,0,1]=4 196 B9R1.69 c1cc(c(cc1Cl)N)Br AS03115 [0,0,0,0,0,0|4,0,0]=4 197 B9R1.69 c1cc(c(cc1Cl)N)F AS00333 [0,0,0,0,0,0|4,0,0]=4 198 B9R1.69 c1cc(c(cc1Cl)N)I AS01557 [0,0,0,0,0,0|4,0,0]=4 199 B9R1.69 c1cc(c(cc1Cl)N)N AS01542 [0,0,0,0,0,0|4,0,0]=4 200 B9R1.69 c1cc(c(cc1Cl)N)O AS04639 [0,0,0,0,0,0|3,0,1]=4 201 B9R1.69 c1cc(c(cc1Cl)O)Cl AS02889 [0,0,0,0,0,0|3,0,0]=3 202 B9R1.69 c1cc(c(cc1Cl)O)F AS01380 [0,0,0,0,0,0|3,0,0]=3 203 B9R1.69 c1cc(c(cc1Cl)O)I AS03074 [0,0,0,0,0,0|3,0,0]=3 204 B9R1.69 c1cc(c(cc1F)Br)Br AS03549 [0,0,0,0,0,0|4,0,0]=4 205 B9R1.69 c1cc(c(cc1F)Br)Cl AS03147 [0,0,0,0,0,0|4,0,0]=4 206 B9R1.69 c1cc(c(cc1F)Br)F AS03201 [0,0,0,0,0,0|4,0,0]=4 207 B9R1.69 c1cc(c(cc1F)Br)I AS03318 [0,0,0,0,0,0|4,0,0]=4 208 B9R1.69 c1cc(c(cc1F)Br)N AS00050 [0,0,0,0,0,0|4,0,0]=4 209 B9R1.69 c1cc(c(cc1F)Br)O AS00231 [0,0,0,0,0,0|3,0,1]=4 210 B9R1.69 c1cc(c(cc1F)Cl)Br AS03143 [0,0,0,0,0,0|4,0,0]=4 211 B9R1.69 c1cc(c(cc1F)Cl)Cl AS02869 [0,0,0,0,0,0|4,0,0]=4 212 B9R1.69 c1cc(c(cc1F)Cl)I AS03048 [0,0,0,0,0,0|4,0,0]=4 213 B9R1.69 c1cc(c(cc1F)Cl)N AS00325 [0,0,0,0,0,0|4,0,0]=4 214 B9R1.69 c1cc(c(cc1F)Cl)N AS02721 [0,0,0,0,0,0|4,0,0]=4 215 B9R1.69 c1cc(c(cc1F)Cl)N AS05323 [0,0,0,0,0,0|4,0,0]=4 216 B9R1.69 c1cc(c(cc1F)Cl)O AS00391 [0,0,0,0,0,0|3,0,1]=4 217 B9R1.69 c1cc(c(cc1F)Cl)S AS05517 [0,0,0,0,0,0|3,1,0]=4 218 B9R1.69 c1cc(c(cc1F)F)Br AS03200 [0,0,0,0,0,0|4,0,0]=4 219 B9R1.69 c1cc(c(cc1F)F)Cl AS00268 [0,0,0,0,0,0|4,0,0]=4 220 B9R1.69 c1cc(c(cc1F)F)F AS01587 [0,0,0,0,0,0|4,0,0]=4 221 B9R1.69 c1cc(c(cc1F)F)I AS03093 [0,0,0,0,0,0|4,0,0]=4 222 B9R1.69 c1cc(c(cc1F)F)N AS01534 [0,0,0,0,0,0|4,0,0]=4 223 B9R1.69 c1cc(c(cc1F)F)O AS00157 [0,0,0,0,0,0|3,0,1]=4 224 B9R1.69 c1cc(c(cc1F)F)S AS05520 [0,0,0,0,0,0|3,1,0]=4 225 B9R1.69 c1cc(c(cc1F)I)Br AS03316 [0,0,0,0,0,0|4,0,0]=4 226 B9R1.69 c1cc(c(cc1F)I)Cl AS03046 [0,0,0,0,0,0|4,0,0]=4 227 B9R1.69 c1cc(c(cc1F)I)F AS02127 [0,0,0,0,0,0|4,0,0]=4 228 B9R1.69 c1cc(c(cc1F)I)I AS02136 [0,0,0,0,0,0|4,0,0]=4 229 B9R1.69 c1cc(c(cc1F)I)N AS04081 [0,0,0,0,0,0|4,0,0]=4 230 B9R1.69 c1cc(c(cc1F)I)O AS06581 [0,0,0,0,0,0|3,0,1]=4 231 B9R1.69 c1cc(c(cc1F)N)Br AS00051 [0,0,0,0,0,0|4,0,0]=4 232 B9R1.69 c1cc(c(cc1F)N)Cl AS00334 [0,0,0,0,0,0|4,0,0]=4 233 B9R1.69 c1cc(c(cc1F)N)F AS01535 [0,0,0,0,0,0|4,0,0]=4 234 B9R1.69 c1cc(c(cc1F)N)I AS03197 [0,0,0,0,0,0|4,0,0]=4 235 B9R1.69 c1cc(c(cc1F)N)N AS01545 [0,0,0,0,0,0|4,0,0]=4 236 B9R1.69 c1cc(c(cc1F)N)O AS00224 [0,0,0,0,0,0|3,0,1]=4 237 B9R1.69 c1cc(c(cc1F)O)Br AS00222 [0,0,0,0,0,0|3,0,0]=3 238 B9R1.69 c1cc(c(cc1F)O)Cl AS00194 [0,0,0,0,0,0|3,0,0]=3 239 B9R1.69 c1cc(c(cc1F)O)F AS00183 [0,0,0,0,0,0|3,0,0]=3 240 B9R1.69 c1cc(c(cc1F)O)I AS06580 [0,0,0,0,0,0|3,0,0]=3 241 B9R1.69 c1cc(c(cc1F)O)N AS01348 [0,0,0,0,0,0|3,0,0]=3 242 B9R1.69 c1cc(c(cc1F)O)O AS01420 [0,0,0,0,0,0|2,0,1]=3 243 B9R1.69 c1cc(c(cc1I)Br)Br AS03562 [0,0,0,0,0,0|4,0,0]=4 244 B9R1.69 c1cc(c(cc1I)Br)Cl AS03154 [0,0,0,0,0,0|4,0,0]=4 245 B9R1.69 c1cc(c(cc1I)Br)Cl AS04633 [0,0,0,0,0,0|4,0,0]=4 246 B9R1.69 c1cc(c(cc1I)Br)F AS00284 [0,0,0,0,0,0|4,0,0]=4 247 B9R1.69 c1cc(c(cc1I)Br)F AS03317 [0,0,0,0,0,0|4,0,0]=4 248 B9R1.69 c1cc(c(cc1I)Br)I AS03211 [0,0,0,0,0,0|4,0,0]=4 249 B9R1.69 c1cc(c(cc1I)Br)N AS03349 [0,0,0,0,0,0|4,0,0]=4 250 B9R1.69 c1cc(c(cc1I)Br)N AS05298 [0,0,0,0,0,0|4,0,0]=4 251 B9R1.69 c1cc(c(cc1I)Br)O AS06568 [0,0,0,0,0,0|3,0,1]=4 252 B9R1.69 c1cc(c(cc1I)Cl)Br AS03152 [0,0,0,0,0,0|4,0,0]=4 253 B9R1.69 c1cc(c(cc1I)Cl)Cl AS03085 [0,0,0,0,0,0|4,0,0]=4 254 B9R1.69 c1cc(c(cc1I)Cl)F AS03047 [0,0,0,0,0,0|4,0,0]=4 255 B9R1.69 c1cc(c(cc1I)Cl)I AS03039 [0,0,0,0,0,0|4,0,0]=4 256 B9R1.69 c1cc(c(cc1I)Cl)N AS00468 [0,0,0,0,0,0|4,0,0]=4 257 B9R1.69 c1cc(c(cc1I)F)Br AS00285 [0,0,0,0,0,0|4,0,0]=4 258 B9R1.69 c1cc(c(cc1I)F)Cl AS03045 [0,0,0,0,0,0|4,0,0]=4 259 B9R1.69 c1cc(c(cc1I)F)F AS03091 [0,0,0,0,0,0|4,0,0]=4 260 B9R1.69 c1cc(c(cc1I)F)I AS02137 [0,0,0,0,0,0|4,0,0]=4 261 B9R1.69 c1cc(c(cc1I)F)N AS00439 [0,0,0,0,0,0|4,0,0]=4 262 B9R1.69 c1cc(c(cc1I)F)O AS05492 [0,0,0,0,0,0|3,0,1]=4 263 B9R1.69 c1cc(c(cc1I)N)N AS05687 [0,0,0,0,0,0|4,0,0]=4 264 B9R1.69 c1cc(c(cc1I)O)Cl AS03072 [0,0,0,0,0,0|3,0,0]=3 265 B9R1.69 c1cc(c(cc1I)O)I AS06590 [0,0,0,0,0,0|3,0,0]=3 266 B9R1.69 c1cc(c(cc1N)Br)Cl AS03116 [0,0,0,0,0,0|4,0,0]=4 267 B9R1.69 c1cc(c(cc1N)Br)Cl AS03684 [0,0,0,0,0,0|4,0,0]=4 268 B9R1.69 c1cc(c(cc1N)Br)F AS03266 [0,0,0,0,0,0|4,0,0]=4 269 B9R1.69 c1cc(c(cc1N)Br)F AS03685 [0,0,0,0,0,0|4,0,0]=4 270 B9R1.69 c1cc(c(cc1N)Br)I AS03350 [0,0,0,0,0,0|4,0,0]=4 271 B9R1.69 c1cc(c(cc1N)Br)N AS05681 [0,0,0,0,0,0|4,0,0]=4 272 B9R1.69 c1cc(c(cc1N)Cl)Br AS01554 [0,0,0,0,0,0|4,0,0]=4 273 B9R1.69 c1cc(c(cc1N)Cl)Cl AS01525 [0,0,0,0,0,0|4,0,0]=4 274 B9R1.69 c1cc(c(cc1N)Cl)F AS00440 [0,0,0,0,0,0|4,0,0]=4 275 B9R1.69 c1cc(c(cc1N)Cl)I AS03051 [0,0,0,0,0,0|4,0,0]=4 276 B9R1.69 c1cc(c(cc1N)Cl)O AS06870 [0,0,0,0,0,0|3,0,1]=4 277 B9R1.69 c1cc(c(cc1N)F)Br AS03869 [0,0,0,0,0,0|4,0,0]=4 278 B9R1.69 c1cc(c(cc1N)F)Cl AS00336 [0,0,0,0,0,0|4,0,0]=4 279 B9R1.69 c1cc(c(cc1N)F)F AS00794 [0,0,0,0,0,0|4,0,0]=4 280 B9R1.69 c1cc(c(cc1N)F)F AS01536 [0,0,0,0,0,0|4,0,0]=4 281 B9R1.69 c1cc(c(cc1N)F)F AS04472 [0,0,0,0,0,0|4,0,0]=4 282 B9R1.69 c1cc(c(cc1N)F)F AS05352 [0,0,0,0,0,0|4,0,0]=4 283 B9R1.69 c1cc(c(cc1N)F)I AS04079 [0,0,0,0,0,0|4,0,0]=4 284 B9R1.69 c1cc(c(cc1N)F)O AS01350 [0,0,0,0,0,0|3,0,1]=4 285 B9R1.69 c1cc(c(cc1N)N)Br AS05680 [0,0,0,0,0,0|4,0,0]=4 286 B9R1.69 c1cc(c(cc1N)N)F AS01546 [0,0,0,0,0,0|4,0,0]=4 287 B9R1.69 c1cc(c(cc1N)O)Cl AS05416 [0,0,0,0,0,0|3,0,0]=3 288 B9R1.69 c1cc(c(cc1O)Br)Br AS03581 [0,0,0,0,0,0|4,0,0]=4 289 B9R1.69 c1cc(c(cc1O)Br)Cl AS03167 [0,0,0,0,0,0|4,0,0]=4 290 B9R1.69 c1cc(c(cc1O)Br)F AS00390 [0,0,0,0,0,0|4,0,0]=4 291 B9R1.69 c1cc(c(cc1O)Cl)Br AS00225 [0,0,0,0,0,0|4,0,0]=4 292 B9R1.69 c1cc(c(cc1O)Cl)Cl AS00195 [0,0,0,0,0,0|4,0,0]=4 293 B9R1.69 c1cc(c(cc1O)Cl)F AS00392 [0,0,0,0,0,0|4,0,0]=4 294 B9R1.69 c1cc(c(cc1O)Cl)I AS06504 [0,0,0,0,0,0|4,0,0]=4 295 B9R1.69 c1cc(c(cc1O)Cl)N AS05415 [0,0,0,0,0,0|4,0,0]=4 296 B9R1.69 c1cc(c(cc1O)Cl)N AS06974 [0,0,0,0,0,0|4,0,0]=4 297 B9R1.69 c1cc(c(cc1O)Cl)O AS02779 [0,0,0,0,0,0|3,0,1]=4 298 B9R1.69 c1cc(c(cc1O)F)Br AS00389 [0,0,0,0,0,0|4,0,0]=4 299 B9R1.69 c1cc(c(cc1O)F)Cl AS00396 [0,0,0,0,0,0|4,0,0]=4 300 B9R1.69 c1cc(c(cc1O)F)F AS00210 [0,0,0,0,0,0|4,0,0]=4 301 B9R1.69 c1cc(c(cc1O)F)I AS06570 [0,0,0,0,0,0|4,0,0]=4 302 B9R1.69 c1cc(c(cc1O)F)N AS01351 [0,0,0,0,0,0|4,0,0]=4 303 B9R1.69 c1cc(c(cc1O)I)Cl AS03073 [0,0,0,0,0,0|4,0,0]=4 304 B9R1.69 c1cc(c(cc1O)I)Cl AS05469 [0,0,0,0,0,0|4,0,0]=4 305 B9R1.69 c1cc(c(cc1O)N)F AS01349 [0,0,0,0,0,0|4,0,0]=4 306 B9R1.69 c1cc(c(cc1O)O)F AS05497 [0,0,0,0,0,0|3,0,0]=3 307 B9R1.69 c1cc(c(cc1O)O)N AS05427 [0,0,0,0,0,0|3,0,0]=3 308 B9R1.69 c1cc(c(cc1O)O)O AS00200 [0,0,0,0,0,0|2,0,1]=3 309 B9R1.69 c1cc(c(cc1S)Cl)F AS05518 [0,0,0,0,0,0|4,0,0]=4 310 B9R1.69 c1cc(c(cc1S)F)F AS05521 [0,0,0,0,0,0|4,0,0]=4 311 B8R1.3 Cc1ccc(cc1)C AS00254 [1,0,0,0,0,0|2,0,0]=3 312 B8R1.3 Cc1ccc(cc1)F AS00305 [1,0,0,0,0,0|2,0,0]=3 313 B8R1.3 Cc1ccc(cc1)I AS02294 [1,0,0,0,0,0|2,0,0]=3 314 B8R1.3 Cc1ccc(cc1)N AS06931 [1,0,0,0,0,0|2,0,0]=3 315 B8R1.3 Cc1ccc(cn1)F AS04876 [1,0,0,0,0,0|2,0,1]=4 316 B8R1.3 Cc1ccc(nc1)Br AS04906 [1,0,0,0,0,0|1,0,1]=3 317 B8R1.3 Cc1ccc(nc1)F AS04850 [1,0,0,0,0,0|1,0,1]=3 318 B8R1.3 c1cc(ccc1Br)Br AS05688 [1,0,0,0,0,0|3,0,0]=4 319 B8R1.3 c1cc(ccc1Br)I AS03362 [1,0,0,0,0,0|3,0,0]=4 320 B8R1.3 c1cc(ccc1Cl)Br AS06959 [1,0,0,0,0,0|3,0,0]=4 321 B8R1.3 c1cc(ccc1Cl)Cl AS06944 [1,0,0,0,0,0|3,0,0]=4 322 B8R1.3 c1cc(ccc1Cl)I AS03063 [1,0,0,0,0,0|3,0,0]=4 323 B8R1.3 c1cc(ccc1F)Br AS00255 [1,0,0,0,0,0|3,0,0]=4 324 B8R1.3 c1cc(ccc1F)Cl AS02729 [1,0,0,0,0,0|3,0,0]=4 325 B8R1.3 c1cc(ccc1F)F AS00245 [1,0,0,0,0,0|3,0,0]=4 326 B8R1.3 c1cc(ccc1F)I AS02180 [1,0,0,0,0,0|3,0,0]=4 327 B8R1.3 c1cc(ccc1F)S AS04129 [1,0,0,0,0,0|2,1,0]=4 328 B8R1.3 c1cc(ccc1I)I AS00081 [1,0,0,0,0,0|3,0,0]=4 329 B8R1.3 c1cc(ccc1N)Br AS00914 [1,0,0,0,0,0|3,0,0]=4 330 B8R1.3 c1cc(ccc1N)Cl AS02971 [1,0,0,0,0,0|3,0,0]=4 331 B8R1.3 c1cc(ccc1N)Cl AS06958 [1,0,0,0,0,0|3,0,0]=4 332 B8R1.3 c1cc(ccc1N)F AS00828 [1,0,0,0,0,0|3,0,0]=4 333 B8R1.3 c1cc(ccc1N)F AS01509 [1,0,0,0,0,0|3,0,0]=4 334 B8R1.3 c1cc(ccc1N)I AS00432 [1,0,0,0,0,0|3,0,0]=4 335 B8R1.3 c1cc(ccc1N)N AS00466 [1,0,0,0,0,0|3,0,0]=4 336 B8R1.3 c1cc(ccc1N)O AS04549 [1,0,0,0,0,0|2,0,1]=4 337 B8R1.3 c1cc(ccc1N)S AS04134 [1,0,0,0,0,0|2,1,0]=4 338 B8R1.3 c1cc(ccc1O)Cl AS00215 [1,0,0,0,0,0|2,0,1]=4 339 B8R1.3 c1cc(ccc1O)F AS00216 [1,0,0,0,0,0|2,0,1]=4 340 B8R1.3 c1cc(ccc1O)O AS00174 [1,0,0,0,0,0|2,0,1]=4 341 B8R1.3 c1cc(ccc1S)Cl AS04130 [1,0,0,0,0,0|2,1,0]=4 342 B8R1.3 c1cc(ncc1Br)Cl AS04922 [1,0,0,0,0,0|2,0,1]=4 343 B8R1.3 c1cc(ncc1Br)F AS04801 [1,0,0,0,0,0|2,0,1]=4 344 B8R1.3 c1cc(ncc1Br)I AS04928 [1,0,0,0,0,0|2,0,1]=4 345 B8R1.3 c1cc(ncc1Br)N AS04888 [1,0,0,0,0,0|2,0,1]=4 346 B8R1.3 c1cc(ncc1Cl)Cl AS04941 [1,0,0,0,0,0|2,0,1]=4 347 B8R1.3 c1cc(ncc1Cl)F AS04821 [1,0,0,0,0,0|2,0,1]=4 348 B8R1.3 c1cc(ncc1Cl)N AS04770 [1,0,0,0,0,0|2,0,1]=4 349 B8R1.3 c1cc(ncc1Cl)O AS04939 [1,0,0,0,0,0|1,0,2]=4 350 B8R1.3 c1cc(ncc1F)Br AS04782 [1,0,0,0,0,0|2,0,1]=4 351 B8R1.3 c1cc(ncc1F)F AS04727 [1,0,0,0,0,0|2,0,1]=4 352 B8R1.3 c1cc(ncc1F)N AS04771 [1,0,0,0,0,0|2,0,1]=4 353 B8R1.3 c1cc(ncc1F)O AS04872 [1,0,0,0,0,0|1,0,2]=4 354 B8R1.3 c1cc(ncc1I)F AS04841 [1,0,0,0,0,0|2,0,1]=4 355 B8R1.3 c1cc(ncc1I)N AS02984 [1,0,0,0,0,0|2,0,1]=4 356 B8R1.3 c1cc(ncc1N)Cl AS04902 [1,0,0,0,0,0|2,0,1]=4 357 B8R1.3 c1cc(ncc1N)F AS04778 [1,0,0,0,0,0|2,0,1]=4 358 B8R1.3 c1cc(ncc1N)N AS04945 [1,0,0,0,0,0|2,0,1]=4 359 B8R1.3 c1cc(ncc1O)F AS04834 [1,0,0,0,0,0|2,0,1]=4 360 B8R1.4 Cc1cc(cnc1)Br AS04920 [1,0,0,0,0,0|1,0,1]=3 361 B8R1.4 Cc1cccc(c1)Br AS03472 [1,0,0,0,0,0|2,0,0]=3 362 B8R1.4 Cc1cccc(c1)Cl AS02842 [1,0,0,0,0,0|2,0,0]=3 363 B8R1.4 Cc1cccc(c1)F AS06924 [1,0,0,0,0,0|2,0,0]=3 364 B8R1.4 Cc1cccc(c1)I AS02293 [1,0,0,0,0,0|2,0,0]=3 365 B8R1.4 Cc1cccc(c1)N AS06930 [1,0,0,0,0,0|2,0,0]=3 366 B8R1.4 Cc1cccc(c1)S AS00077 [1,0,0,0,0,0|1,1,0]=3 367 B8R1.4 Cc1cccc(n1)Br AS04907 [1,0,0,0,0,0|3,0,0]=4 368 B8R1.4 Cc1cccc(n1)C AS04947 [1,0,0,0,0,0|3,0,0]=4 369 B8R1.4 Cc1cccc(n1)F AS04851 [1,0,0,0,0,0|3,0,0]=4 370 B8R1.4 Cc1ccnc(c1)Br AS04905 [1,0,0,0,0,0|3,0,0]=4 371 B8R1.4 Cc1ccnc(c1)Cl AS04706 [1,0,0,0,0,0|3,0,0]=4 372 B8R1.4 Cc1ccnc(c1)F AS04730 [1,0,0,0,0,0|3,0,0]=4 373 B8R1.4 c1c(cncc1Br)Cl AS04916 [1,0,0,0,0,0|2,0,1]=4 374 B8R1.4 c1c(cncc1Br)F AS04794 [1,0,0,0,0,0|2,0,1]=4 375 B8R1.4 c1c(cncc1Cl)F AS04819 [1,0,0,0,0,0|2,0,1]=4 376 B8R1.4 c1c(cncc1F)F AS04885 [1,0,0,0,0,0|2,0,1]=4 377 B8R1.4 c1cc(cc(c1)Br)Br AS03513 [1,0,0,0,0,0|3,0,0]=4 378 B8R1.4 c1cc(cc(c1)Br)Cl AS03127 [1,0,0,0,0,0|3,0,0]=4 379 B8R1.4 c1cc(cc(c1)Br)F AS03288 [1,0,0,0,0,0|3,0,0]=4 380 B8R1.4 c1cc(cc(c1)Br)N AS00407 [1,0,0,0,0,0|3,0,0]=4 381 B8R1.4 c1cc(cc(c1)Br)O AS00214 [1,0,0,0,0,0|2,0,0]=3 382 B8R1.4 c1cc(cc(c1)Cl)Cl AS00251 [1,0,0,0,0,0|3,0,0]=4 383 B8R1.4 c1cc(cc(c1)Cl)F AS00258 [1,0,0,0,0,0|3,0,0]=4 384 B8R1.4 c1cc(cc(c1)Cl)N AS04638 [1,0,0,0,0,0|3,0,0]=4 385 B8R1.4 c1cc(cc(c1)Cl)O AS02833 [1,0,0,0,0,0|2,0,0]=3 386 B8R1.4 c1cc(cc(c1)F)F AS00253 [1,0,0,0,0,0|3,0,0]=4 387 B8R1.4 c1cc(cc(c1)F)N AS00826 [1,0,0,0,0,0|3,0,0]=4 388 B8R1.4 c1cc(cc(c1)F)N AS06739 [1,0,0,0,0,0|3,0,0]=4 389 B8R1.4 c1cc(cc(c1)F)O AS00206 [1,0,0,0,0,0|2,0,0]=3 390 B8R1.4 c1cc(cc(c1)F)O AS00892 [1,0,0,0,0,0|2,0,0]=3 391 B8R1.4 c1cc(cc(c1)I)Br AS03361 [1,0,0,0,0,0|3,0,0]=4 392 B8R1.4 c1cc(cc(c1)I)Cl AS03062 [1,0,0,0,0,0|3,0,0]=4 393 B8R1.4 c1cc(cc(c1)I)F AS02179 [1,0,0,0,0,0|3,0,0]=4 394 B8R1.4 c1cc(cc(c1)I)I AS02130 [1,0,0,0,0,0|3,0,0]=4 395 B8R1.4 c1cc(cc(c1)I)N AS00421 [1,0,0,0,0,0|3,0,0]=4 396 B8R1.4 c1cc(cc(c1)I)O AS02284 [1,0,0,0,0,0|2,0,0]=3 397 B8R1.4 c1cc(cc(c1)N)N AS06865 [1,0,0,0,0,0|3,0,0]=4 398 B8R1.4 c1cc(cc(c1)O)N AS00213 [1,0,0,0,0,0|2,0,0]=3 399 B8R1.4 c1cc(nc(c1)Br)O AS04913 [1,0,0,0,0,0|3,0,0]=4 400 B8R1.5 Cc1c(cccn1)Br AS04917 [1,0,0,0,0,0|2,0,1]=4 401 B8R1.5 Cc1c(cccn1)N AS04896 [1,0,0,0,0,0|2,0,1]=4 402 B8R1.5 Cc1ccccc1Br AS03471 [1,0,0,0,0,0|3,0,0]=4 403 B8R1.5 Cc1ccccc1F AS00300 [1,0,0,0,0,0|3,0,0]=4 404 B8R1.5 Cc1ccccc1I AS02292 [1,0,0,0,0,0|3,0,0]=4 405 B8R1.5 Cc1ccccc1N AS01510 [1,0,0,0,0,0|3,0,0]=4 406 B8R1.5 Cc1ccccc1O AS00217 [1,0,0,0,0,0|2,0,0]=3 407 B8R1.5 Cc1cccnc1Cl AS06186 [1,0,0,0,0,0|2,0,1]=4 408 B8R1.5 Cc1cccnc1F AS04849 [1,0,0,0,0,0|2,0,1]=4 409 B8R1.5 c1cc(c(nc1)Br)Cl AS06964 [1,0,0,0,0,0|2,0,1]=4 410 B8R1.5 c1cc(c(nc1)Br)F AS04780 [1,0,0,0,0,0|2,0,1]=4 411 B8R1.5 c1cc(c(nc1)Br)N AS04696 [1,0,0,0,0,0|2,0,1]=4 412 B8R1.5 c1cc(c(nc1)Cl)Br AS04700 [1,0,0,0,0,0|2,0,1]=4 413 B8R1.5 c1cc(c(nc1)Cl)F AS04804 [1,0,0,0,0,0|2,0,1]=4 414 B8R1.5 c1cc(c(nc1)Cl)N AS04895 [1,0,0,0,0,0|2,0,1]=4 415 B8R1.5 c1cc(c(nc1)F)Br AS04791 [1,0,0,0,0,0|2,0,1]=4 416 B8R1.5 c1cc(c(nc1)F)F AS04883 [1,0,0,0,0,0|2,0,1]=4 417 B8R1.5 c1cc(c(nc1)F)I AS04835 [1,0,0,0,0,0|2,0,1]=4 418 B8R1.5 c1cc(c(nc1)F)N AS04774 [1,0,0,0,0,0|2,0,1]=4 419 B8R1.5 c1cc(c(nc1)F)O AS04833 [1,0,0,0,0,0|1,0,1]=3 420 B8R1.5 c1cc(c(nc1)I)F AS04864 [1,0,0,0,0,0|2,0,1]=4 421 B8R1.5 c1cc(c(nc1)O)Br AS04918 [1,0,0,0,0,0|1,0,2]=4 422 B8R1.5 c1ccc(c(c1)Br)Br AS03512 [1,0,0,0,0,0|3,0,0]=4 423 B8R1.5 c1ccc(c(c1)Br)I AS03360 [1,0,0,0,0,0|3,0,0]=4 424 B8R1.5 c1ccc(c(c1)Cl)Br AS03126 [1,0,0,0,0,0|3,0,0]=4 425 B8R1.5 c1ccc(c(c1)Cl)Cl AS00250 [1,0,0,0,0,0|3,0,0]=4 426 B8R1.5 c1ccc(c(c1)Cl)I AS03061 [1,0,0,0,0,0|3,0,0]=4 427 B8R1.5 c1ccc(c(c1)F)Br AS03287 [1,0,0,0,0,0|3,0,0]=4 428 B8R1.5 c1ccc(c(c1)F)Cl AS02728 [1,0,0,0,0,0|3,0,0]=4 429 B8R1.5 c1ccc(c(c1)F)F AS00252 [1,0,0,0,0,0|3,0,0]=4 430 B8R1.5 c1ccc(c(c1)F)I AS02178 [1,0,0,0,0,0|3,0,0]=4 431 B8R1.5 c1ccc(c(c1)F)S AS04132 [1,0,0,0,0,0|2,1,0]=4 432 B8R1.5 c1ccc(c(c1)I)I AS02129 [1,0,0,0,0,0|3,0,0]=4 433 B8R1.5 c1ccc(c(c1)N)Br AS00913 [1,0,0,0,0,0|3,0,0]=4 434 B8R1.5 c1ccc(c(c1)N)F AS00827 [1,0,0,0,0,0|3,0,0]=4 435 B8R1.5 c1ccc(c(c1)N)F AS01506 [1,0,0,0,0,0|3,0,0]=4 436 B8R1.5 c1ccc(c(c1)N)I AS00404 [1,0,0,0,0,0|3,0,0]=4 437 B8R1.5 c1ccc(c(c1)N)O AS00211 [1,0,0,0,0,0|2,0,0]=3 438 B8R1.5 c1ccc(c(c1)O)Br AS03449 [1,0,0,0,0,0|2,0,0]=3 439 B8R1.5 c1ccc(c(c1)O)F AS00891 [1,0,0,0,0,0|2,0,0]=3 440 B8R1.5 c1ccc(c(c1)O)I AS02283 [1,0,0,0,0,0|2,0,0]=3 441 B8R1.5 c1ccc(c(c1)S)Cl AS04136 [1,0,0,0,0,0|2,1,0]=4 442 B10R1.22 Cc1cc(c(c(c1)Br)Br)Br AS03656 [0,1,0,0,0,0|3,0,0]=4 443 B10R1.22 Cc1cc(c(c(c1)Br)Br)C AS03540 [0,1,0,0,0,0|3,0,0]=4 444 B10R1.22 Cc1cc(c(c(c1)Br)Cl)C AS03138 [0,1,0,0,0,0|3,0,0]=4 445 B10R1.22 Cc1cc(c(c(c1)Br)F)C AS00293 [0,1,0,0,0,0|3,0,0]=4 446 B10R1.22 Cc1cc(c(c(c1)Br)I)Br AS03568 [0,1,0,0,0,0|3,0,0]=4 447 B10R1.22 Cc1cc(c(c(c1)Br)I)C AS03237 [0,1,0,0,0,0|3,0,0]=4 448 B10R1.22 Cc1cc(c(c(c1)Br)N)Br AS03570 [0,1,0,0,0,0|3,0,0]=4 449 B10R1.22 Cc1cc(c(c(c1)Br)N)C AS03225 [0,1,0,0,0,0|3,0,0]=4 450 B10R1.22 Cc1cc(c(c(c1)Br)N)F AS03323 [0,1,0,0,0,0|3,0,0]=4 451 B10R1.22 Cc1cc(c(c(c1)Br)O)Br AS03561 [0,1,0,0,0,0|2,0,1]=4 452 B10R1.22 Cc1cc(c(c(c1)C)Br)C AS03672 [0,1,0,0,0,0|3,0,0]=4 453 B10R1.22 Cc1cc(c(c(c1)C)Br)C AS05754 [0,1,0,0,0,0|3,0,0]=4 454 B10R1.22 Cc1cc(c(c(c1)C)F)C AS05756 [0,1,0,0,0,0|3,0,0]=4 455 B10R1.22 Cc1cc(c(c(c1)C)N)C AS00416 [0,1,0,0,0,0|3,0,0]=4 456 B10R1.22 Cc1cc(c(c(c1)C)N)C AS05406 [0,1,0,0,0,0|3,0,0]=4 457 B10R1.22 Cc1cc(c(c(c1)C)O)C AS04588 [0,1,0,0,0,0|2,0,1]=4 458 B10R1.22 Cc1cc(c(c(c1)Cl)N)C AS00352 [0,1,0,0,0,0|3,0,0]=4 459 B10R1.22 Cc1cc(c(c(c1)Cl)N)Cl AS05346 [0,1,0,0,0,0|3,0,0]=4 460 B10R1.22 Cc1cc(c(c(c1)Cl)O)Cl AS00402 [0,1,0,0,0,0|2,0,1]=4 461 B10R1.22 Cc1cc(c(c(c1)F)F)F AS02084 [0,1,0,0,0,0|3,0,0]=4 462 B10R1.22 Cc1cc(c(c(c1)I)Br)Br AS03567 [0,1,0,0,0,0|3,0,0]=4 463 B10R1.22 Cc1cc(c(c(c1)I)Cl)Br AS03161 [0,1,0,0,0,0|3,0,0]=4 464 B10R1.22 Cc1cc(c(c(c1)I)I)Br AS03216 [0,1,0,0,0,0|3,0,0]=4 465 B10R1.22 Cc1cc(c(c(c1)I)N)Br AS03367 [0,1,0,0,0,0|3,0,0]=4 466 B10R1.22 Cc1cc(c(c(c1)N)N)C AS05684 [0,1,0,0,0,0|3,0,0]=4 467 B10R1.22 Cc1cc(c(c(c1)N)O)C AS05421 [0,1,0,0,0,0|2,0,1]=4 468 B10R1.22 Cc1cc(c(c(c1)O)Cl)C AS00203 [0,1,0,0,0,0|2,0,0]=3 469 B10R1.22 c1c(cc(c(c1O)Cl)F)F AS05461 [0,1,0,0,0,0|3,0,0]=4 470 B10R1.22 c1c(cc(c(c1O)F)F)Br AS00397 [0,1,0,0,0,0|3,0,0]=4 471 B10R1.22 c1c(cc(c(c1O)F)F)F AS05513 [0,1,0,0,0,0|3,0,0]=4 472 B10R1.22 c1c(cc(c(c1O)N)F)F AS00173 [0,1,0,0,0,0|3,0,0]=4 473 B10R1.22 c1c(cc(c(c1O)O)F)Cl AS05466 [0,1,0,0,0,0|2,0,1]=4 474 B10R1.25 COc1c(cc(cn1)F)O AS04881 [0,1,0,0,0,0|1,0,2]=4 475 B10R1.25 COc1ccc(cc1O)F AS00192 [0,1,0,0,0,0|2,0,1]=4 476 B10R1.25 Cc1cc(ccc1C=O)Br AS03007 [0,1,0,0,0,0|3,0,0]=4 477 B10R1.25 Cc1cc(ccc1C=O)Cl AS06678 [0,1,0,0,0,0|3,0,0]=4 478 B10R1.25 Cc1cc(ccc1C=O)F AS01471 [0,1,0,0,0,0|3,0,0]=4 479 B10R1.25 Cc1cc(ccc1C=O)O AS05602 [0,1,0,0,0,0|3,0,0]=4 480 B10R1.25 Cc1ccc(c(c1)Br)C=O AS06927 [0,1,0,0,0,0|2,0,0]=3 481 B10R1.25 Cc1ccc(c(c1)Br)OC AS03405 [0,1,0,0,0,0|2,0,1]=4 482 B10R1.25 Cc1ccc(c(c1)C)CCl AS00710 [0,1,0,0,0,0|3,0,0]=4 483 B10R1.25 Cc1ccc(c(c1)C)NN AS03280 [0,1,0,0,0,0|3,0,0]=4 484 B10R1.25 Cc1ccc(c(c1)C)OC AS02541 [0,1,0,0,0,0|2,0,1]=4 485 B10R1.25 Cc1ccc(c(c1)Cl)C#N AS01650 [0,1,0,0,0,0|3,0,0]=4 486 B10R1.25 Cc1ccc(c(c1)Cl)C=O AS06929 [0,1,0,0,0,0|2,0,0]=3 487 B10R1.25 Cc1ccc(c(c1)Cl)NN AS01996 [0,1,0,0,0,0|3,0,0]=4 488 B10R1.25 Cc1ccc(c(c1)Cl)OC AS02799 [0,1,0,0,0,0|2,0,1]=4 489 B10R1.25 Cc1ccc(c(c1)F)C#N AS01680 [0,1,0,0,0,0|3,0,0]=4 490 B10R1.25 Cc1ccc(c(c1)F)C=O AS01466 [0,1,0,0,0,0|2,0,0]=3 491 B10R1.25 Cc1ccc(c(c1)I)OC AS02092 [0,1,0,0,0,0|2,0,1]=4 492 B10R1.25 Cc1ccc(c(c1)N)C#N AS01609 [0,1,0,0,0,0|3,0,0]=4 493 B10R1.25 c1cc(c(cc1Br)Br)C=O AS03856 [0,1,0,0,0,0|3,0,0]=4 494 B10R1.25 c1cc(c(cc1Br)Cl)C=O AS02873 [0,1,0,0,0,0|3,0,0]=4 495 B10R1.25 c1cc(c(cc1Br)F)C=O AS03801 [0,1,0,0,0,0|3,0,0]=4 496 B10R1.25 c1cc(c(cc1Br)N)C=O AS06833 [0,1,0,0,0,0|3,0,0]=4 497 B10R1.25 c1cc(c(cc1Br)O)C#N AS03703 [0,1,0,0,0,0|3,0,0]=4 498 B10R1.25 c1cc(c(cc1Br)O)C=O AS04630 [0,1,0,0,0,0|2,0,0]=3 499 B10R1.25 c1cc(c(cc1Br)O)CO AS05949 [0,1,0,0,0,0|2,0,1]=4 500 B10R1.25 c1cc(c(cc1Cl)Br)C=O AS03789 [0,1,0,0,0,0|3,0,0]=4 501 B10R1.25 c1cc(c(cc1Cl)F)C=O AS03836 [0,1,0,0,0,0|3,0,0]=4 502 B10R1.25 c1cc(c(cc1Cl)O)C#N AS05818 [0,1,0,0,0,0|3,0,0]=4 503 B10R1.25 c1cc(c(cc1Cl)O)C=O AS05554 [0,1,0,0,0,0|2,0,0]=3 504 B10R1.25 c1cc(c(cc1F)Br)C=O AS03017 [0,1,0,0,0,0|3,0,0]=4 505 B10R1.25 c1cc(c(cc1F)Cl)C=O AS03023 [0,1,0,0,0,0|3,0,0]=4 506 B10R1.25 c1cc(c(cc1F)F)C=O AS01451 [0,1,0,0,0,0|3,0,0]=4 507 B10R1.25 c1cc(c(cc1F)N)C=O AS05525 [0,1,0,0,0,0|3,0,0]=4 508 B10R1.25 c1cc(c(cc1F)O)C=O AS03068 [0,1,0,0,0,0|2,0,0]=3 509 B10R1.25 c1cc(c(cc1I)F)C=O AS03883 [0,1,0,0,0,0|3,0,0]=4 510 B10R1.25 c1cc(c(cc1N)O)C#N AS06282 [0,1,0,0,0,0|3,0,0]=4 511 B10R1.25 c1cc(c(cc1O)Br)C=O AS06475 [0,1,0,0,0,0|3,0,0]=4 512 B10R1.25 c1cc(c(cc1O)Cl)C=O AS02997 [0,1,0,0,0,0|3,0,0]=4 513 B10R1.25 c1cc(c(cc1O)F)C=O AS03069 [0,1,0,0,0,0|3,0,0]=4 514 B10R1.25 c1cc(c(cc1O)I)C=O AS06474 [0,1,0,0,0,0|3,0,0]=4 515 B10R1.25 c1cc(c(cc1O)O)C#N AS07229 [0,1,0,0,0,0|3,0,0]=4 516 B10R1.25 c1cc(c(cc1O)O)C=O AS02995 [0,1,0,0,0,0|2,0,0]=3 517 B10R1.30 COc1cc(ccc1Br)Br AS04244 [0,1,0,0,0,0|3,0,0]=4 518 B10R1.30 COc1cc(ccc1Br)Cl AS03119 [0,1,0,0,0,0|3,0,0]=4 519 B10R1.30 COc1cc(ccc1Br)F AS01361 [0,1,0,0,0,0|3,0,0]=4 520 B10R1.30 COc1cc(ccc1Br)I AS02406 [0,1,0,0,0,0|3,0,0]=4 521 B10R1.30 COc1cc(ccc1Br)N AS03268 [0,1,0,0,0,0|3,0,0]=4 522 B10R1.30 COc1cc(ccc1Br)O AS06704 [0,1,0,0,0,0|3,0,0]=4 523 B10R1.30 COc1cc(ccc1Cl)Br AS03122 [0,1,0,0,0,0|3,0,0]=4 524 B10R1.30 COc1cc(ccc1Cl)Cl AS02855 [0,1,0,0,0,0|3,0,0]=4 525 B10R1.30 COc1cc(ccc1Cl)F AS02723 [0,1,0,0,0,0|3,0,0]=4 526 B10R1.30 COc1cc(ccc1Cl)I AS03055 [0,1,0,0,0,0|3,0,0]=4 527 B10R1.30 COc1cc(ccc1Cl)N AS04122 [0,1,0,0,0,0|3,0,0]=4 528 B10R1.30 COc1cc(ccc1Cl)O AS06584 [0,1,0,0,0,0|3,0,0]=4 529 B10R1.30 COc1cc(ccc1F)Br AS01809 [0,1,0,0,0,0|3,0,0]=4 530 B10R1.30 COc1cc(ccc1F)F AS02416 [0,1,0,0,0,0|3,0,0]=4 531 B10R1.30 COc1cc(ccc1F)N AS04086 [0,1,0,0,0,0|3,0,0]=4 532 B10R1.30 COc1cc(ccc1F)O AS05494 [0,1,0,0,0,0|3,0,0]=4 533 B10R1.30 COc1cc(ccc1I)Br AS05451 [0,1,0,0,0,0|3,0,0]=4 534 B10R1.30 COc1cc(ccc1I)Cl AS01817 [0,1,0,0,0,0|3,0,0]=4 535 B10R1.30 COc1cc(ccc1I)I AS06497 [0,1,0,0,0,0|3,0,0]=4 536 B10R1.30 COc1cc(ccc1I)N AS02236 [0,1,0,0,0,0|3,0,0]=4 537 B10R1.30 COc1cc(ccc1N)Br AS03265 [0,1,0,0,0,0|3,0,0]=4 538 B10R1.30 COc1cc(ccc1N)F AS01443 [0,1,0,0,0,0|3,0,0]=4 539 B10R1.30 COc1cc(ccc1N)F AS05422 [0,1,0,0,0,0|3,0,0]=4 540 B10R1.30 COc1cc(ccc1N)I AS05429 [0,1,0,0,0,0|3,0,0]=4 541 B10R1.30 COc1cc(ccc1O)Cl AS02798 [0,1,0,0,0,0|2,0,1]=4 542 B10R1.30 COc1cc(ccc1O)F AS00164 [0,1,0,0,0,0|2,0,1]=4 543 B10R1.30 COc1cc(ccc1O)N AS06520 [0,1,0,0,0,0|2,0,1]=4 544 B10R1.30 Cc1ccc(c(c1)C#N)F AS02719 [0,1,0,0,0,0|3,0,0]=4 545 B10R1.30 Cc1ccc(c(c1)C#N)O AS06290 [0,1,0,0,0,0|2,0,1]=4 546 B10R1.30 Cc1ccc(c(c1)C=O)F AS01467 [0,1,0,0,0,0|2,0,1]=4 547 B10R1.30 Cc1ccc(c(c1)CCl)C AS00714 [0,1,0,0,0,0|3,0,0]=4 548 B10R1.30 Cc1ccc(c(c1)CO)F AS00597 [0,1,0,0,0,0|2,0,0]=3 549 B10R1.30 Cc1ccc(c(c1)OC)Br AS04221 [0,1,0,0,0,0|2,0,0]=3 550 B10R1.30 Cc1ccc(c(c1)OC)C AS02542 [0,1,0,0,0,0|2,0,0]=3 551 B10R1.30 Cc1ccc(c(c1)OC)Cl AS02806 [0,1,0,0,0,0|2,0,0]=3 552 B10R1.30 Cc1ccc(c(c1)OC)Cl AS04239 [0,1,0,0,0,0|2,0,0]=3 553 B10R1.30 Cc1ccc(c(c1)OC)F AS04269 [0,1,0,0,0,0|2,0,0]=3 554 B10R1.30 Cc1ccc(c(n1)OC)F AS04867 [0,1,0,0,0,0|3,0,0]=4 555 B10R1.30 Cc1ccc(cc1OC)Br AS03406 [0,1,0,0,0,0|3,0,0]=4 556 B10R1.30 Cc1ccc(cc1OC)Cl AS02811 [0,1,0,0,0,0|3,0,0]=4 557 B10R1.30 Cc1ccc(cc1OC)F AS02628 [0,1,0,0,0,0|3,0,0]=4 558 B10R1.30 Cc1ccc(cc1OC)I AS02250 [0,1,0,0,0,0|3,0,0]=4 559 B10R1.30 Cc1ccc(cc1OC)N AS00997 [0,1,0,0,0,0|3,0,0]=4 560 B10R1.30 c1cc(c(cc1Br)CO)Cl AS04004 [0,1,0,0,0,0|3,0,0]=4 561 B10R1.30 c1cc(c(cc1Br)CO)O AS00554 [0,1,0,0,0,0|2,0,1]=4 562 B10R1.30 c1cc(c(cc1Cl)CO)Br AS00550 [0,1,0,0,0,0|3,0,0]=4 563 B10R1.30 c1cc(c(cc1Cl)CO)Cl AS00609 [0,1,0,0,0,0|3,0,0]=4 564 B10R1.30 c1cc(c(cc1Cl)CO)F AS00564 [0,1,0,0,0,0|3,0,0]=4 565 B10R1.30 c1cc(c(cc1F)CO)Br AS00552 [0,1,0,0,0,0|3,0,0]=4 566 B10R1.30 c1cc(c(cc1F)CO)F AS00616 [0,1,0,0,0,0|3,0,0]=4 567 B10R1.30 c1cc(c(cc1I)CO)Br AS05950 [0,1,0,0,0,0|3,0,0]=4 568 B10R1.30 c1cc(c(cc1N)CO)Cl AS05936 [0,1,0,0,0,0|3,0,0]=4 569 B10R1.118 Cc1cc(c(cc1Br)Br)Br AS00109 [0,1,0,0,0,0|3,0,0]=4 570 B10R1.118 Cc1cc(c(cc1Br)Br)C AS05695 [0,1,0,0,0,0|3,0,0]=4 571 B10R1.118 Cc1cc(c(cc1Br)C)Cl AS03139 [0,1,0,0,0,0|3,0,0]=4 572 B10R1.118 Cc1cc(c(cc1Br)C)N AS03226 [0,1,0,0,0,0|3,0,0]=4 573 B10R1.118 Cc1cc(c(cc1Br)C)N AS03229 [0,1,0,0,0,0|3,0,0]=4 574 B10R1.118 Cc1cc(c(cc1Br)C)O AS07207 [0,1,0,0,0,0|2,0,0]=3 575 B10R1.118 Cc1cc(c(cc1Br)F)N AS04057 [0,1,0,0,0,0|3,0,0]=4 576 B10R1.118 Cc1cc(c(cc1Br)N)F AS00121 [0,1,0,0,0,0|3,0,0]=4 577 B10R1.118 Cc1cc(c(cc1C)Br)N AS06829 [0,1,0,0,0,0|3,0,0]=4 578 B10R1.118 Cc1cc(c(cc1C)Cl)N AS05321 [0,1,0,0,0,0|3,0,0]=4 579 B10R1.118 Cc1cc(c(cc1C)F)C AS05755 [0,1,0,0,0,0|3,0,0]=4 580 B10R1.118 Cc1cc(c(cc1C)N)N AS05685 [0,1,0,0,0,0|3,0,0]=4 581 B10R1.118 Cc1cc(c(cc1Cl)C)Cl AS00297 [0,1,0,0,0,0|3,0,0]=4 582 B10R1.118 Cc1cc(c(cc1Cl)C)N AS00316 [0,1,0,0,0,0|3,0,0]=4 583 B10R1.118 Cc1cc(c(cc1Cl)Cl)S AS05519 [0,1,0,0,0,0|2,1,0]=4 584 B10R1.118 Cc1cc(c(cc1Cl)F)F AS04753 [0,1,0,0,0,0|3,0,0]=4 585 B10R1.118 Cc1cc(c(cc1Cl)F)N AS05326 [0,1,0,0,0,0|3,0,0]=4 586 B10R1.118 Cc1cc(c(cc1F)Br)Br AS00123 [0,1,0,0,0,0|3,0,0]=4 587 B10R1.118 Cc1cc(c(cc1F)Br)Cl AS01026 [0,1,0,0,0,0|3,0,0]=4 588 B10R1.118 Cc1cc(c(cc1F)Br)I AS03319 [0,1,0,0,0,0|3,0,0]=4 589 B10R1.118 Cc1cc(c(cc1F)Br)N AS05297 [0,1,0,0,0,0|3,0,0]=4 590 B10R1.118 Cc1cc(c(cc1F)Cl)Br AS03151 [0,1,0,0,0,0|3,0,0]=4 591 B10R1.118 Cc1cc(c(cc1F)Cl)N AS02747 [0,1,0,0,0,0|3,0,0]=4 592 B10R1.118 Cc1cc(c(cc1F)F)Br AS04752 [0,1,0,0,0,0|3,0,0]=4 593 B10R1.118 Cc1cc(c(cc1F)F)F AS02097 [0,1,0,0,0,0|3,0,0]=4 594 B10R1.118 Cc1cc(c(cc1F)I)Br AS03320 [0,1,0,0,0,0|3,0,0]=4 595 B10R1.118 Cc1cc(c(cc1F)I)N AS05375 [0,1,0,0,0,0|3,0,0]=4 596 B10R1.118 Cc1cc(c(cc1F)N)Br AS04056 [0,1,0,0,0,0|3,0,0]=4 597 B10R1.118 Cc1cc(c(cc1F)N)N AS05782 [0,1,0,0,0,0|3,0,0]=4 598 B10R1.118 Cc1cc(c(cc1F)N)N AS06991 [0,1,0,0,0,0|3,0,0]=4 599 B10R1.118 Cc1cc(c(cc1I)C)Br AS03235 [0,1,0,0,0,0|3,0,0]=4 600 B10R1.118 Cc1cc(c(cc1N)Br)F AS04058 [0,1,0,0,0,0|3,0,0]=4 601 B10R1.118 Cc1cc(c(cc1N)Cl)Br AS00437 [0,1,0,0,0,0|3,0,0]=4 602 B10R1.118 Cc1cc(c(cc1N)F)F AS06838 [0,1,0,0,0,0|3,0,0]=4 603 B10R1.118 Cc1cc(c(cc1O)C)N AS00209 [0,1,0,0,0,0|2,0,0]=3 604 B10R1.118 Cc1cc(c(cc1O)F)F AS05483 [0,1,0,0,0,0|3,0,0]=4 605 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)O AS05511 [0,1,0,0,0,0|3,0,0]=4 606 B10R1.118 c1c(c(cc(c1Cl)Cl)O)N AS07179 [0,1,0,0,0,0|3,0,0]=4 607 B10R1.118 c1c(c(cc(c1F)F)Br)O AS00399 [0,1,0,0,0,0|3,0,0]=4 608 B10R1.118 c1c(c(cc(c1F)F)F)O AS00169 [0,1,0,0,0,0|3,0,0]=4 609 B10R1.118 c1c(c(cc(c1F)F)O)N AS06828 [0,1,0,0,0,0|3,0,0]=4 610 B10R1.118 c1c(c(cc(c1N)O)O)N AS06860 [0,1,0,0,0,0|3,0,0]=4 611 B10R1.118 c1c(c(cc(c1O)Cl)F)N AS05417 [0,1,0,0,0,0|3,0,0]=4 612 B10R1.119 CC1=C(C(=O)C=CC1=O)C AS00236 [0,1,0,0,0,0|3,0,0]=4 613 B10R1.119 Cc1ccc(c(c1Br)C)Br AS00112 [0,1,0,0,0,0|3,0,0]=4 614 B10R1.119 Cc1ccc(c(c1Br)C)N AS05292 [0,1,0,0,0,0|3,0,0]=4 615 B10R1.119 Cc1ccc(c(c1Cl)F)Br AS02090 [0,1,0,0,0,0|3,0,0]=4 616 B10R1.119 Cc1ccc(c(c1F)F)F AS02082 [0,1,0,0,0,0|3,0,0]=4 617 B10R1.119 Cc1ccc(c(c1N)C)Br AS05293 [0,1,0,0,0,0|3,0,0]=4 618 B10R1.119 Cc1ccc(c(c1N)C)Cl AS00314 [0,1,0,0,0,0|3,0,0]=4 619 B10R1.119 Cc1ccc(c(c1N)C)Cl AS02698 [0,1,0,0,0,0|3,0,0]=4 620 B10R1.176 CCc1ccc(c(c1)Br)Br AS03544 [0,1,0,0,0,0|3,0,0]=4 621 B10R1.176 CCc1ccc(c(c1)Br)Cl AS03141 [0,1,0,0,0,0|3,0,0]=4 622 B10R1.176 CCc1ccc(c(c1)Br)I AS03255 [0,1,0,0,0,0|3,0,0]=4 623 B10R1.176 CCc1ccc(c(c1)Br)N AS03249 [0,1,0,0,0,0|3,0,0]=4 624 B10R1.176 CCc1ccc(c(c1)Br)N AS03250 [0,1,0,0,0,0|3,0,0]=4 625 B10R1.176 CCc1ccc(c(c1)N)O AS06527 [0,1,0,0,0,0|2,0,1]=4 626 B10R1.176 CCc1ccc(c(c1)O)Cl AS02714 [0,1,0,0,0,0|2,0,0]=3 627 B10R1.176 CCc1ccc(c(c1)O)O AS06481 [0,1,0,0,0,0|1,0,1]=3 628 B10R1.176 CNc1ccc(c(c1)Cl)Cl AS05344 [0,1,0,0,0,0|3,0,0]=4 629 B10R1.176 COc1ccc(c(c1)Br)Br AS03504 [0,1,0,0,0,0|3,0,0]=4 630 B10R1.176 COc1ccc(c(c1)Br)Cl AS01807 [0,1,0,0,0,0|3,0,0]=4 631 B10R1.176 COc1ccc(c(c1)Br)F AS05445 [0,1,0,0,0,0|3,0,0]=4 632 B10R1.176 COc1ccc(c(c1)Br)N AS04059 [0,1,0,0,0,0|3,0,0]=4 633 B10R1.176 COc1ccc(c(c1)Br)O AS03403 [0,1,0,0,0,0|2,0,1]=4 634 B10R1.176 COc1ccc(c(c1)Cl)Br AS02951 [0,1,0,0,0,0|3,0,0]=4 635 B10R1.176 COc1ccc(c(c1)Cl)Cl AS02857 [0,1,0,0,0,0|3,0,0]=4 636 B10R1.176 COc1ccc(c(c1)Cl)F AS02724 [0,1,0,0,0,0|3,0,0]=4 637 B10R1.176 COc1ccc(c(c1)Cl)I AS06281 [0,1,0,0,0,0|3,0,0]=4 638 B10R1.176 COc1ccc(c(c1)Cl)N AS05414 [0,1,0,0,0,0|3,0,0]=4 639 B10R1.176 COc1ccc(c(c1)Cl)O AS00233 [0,1,0,0,0,0|2,0,1]=4 640 B10R1.176 COc1ccc(c(c1)F)Br AS01368 [0,1,0,0,0,0|3,0,0]=4 641 B10R1.176 COc1ccc(c(c1)F)Br AS04321 [0,1,0,0,0,0|3,0,0]=4 642 B10R1.176 COc1ccc(c(c1)F)Cl AS02727 [0,1,0,0,0,0|3,0,0]=4 643 B10R1.176 COc1ccc(c(c1)F)F AS02508 [0,1,0,0,0,0|3,0,0]=4 644 B10R1.176 COc1ccc(c(c1)F)O AS02618 [0,1,0,0,0,0|2,0,1]=4 645 B10R1.176 COc1ccc(c(c1)I)Br AS03357 [0,1,0,0,0,0|3,0,0]=4 646 B10R1.176 COc1ccc(c(c1)I)Cl AS03058 [0,1,0,0,0,0|3,0,0]=4 647 B10R1.176 COc1ccc(c(c1)I)N AS05431 [0,1,0,0,0,0|3,0,0]=4 648 B10R1.176 COc1ccc(c(c1)N)Br AS03386 [0,1,0,0,0,0|3,0,0]=4 649 B10R1.176 COc1ccc(c(c1)N)Br AS03666 [0,1,0,0,0,0|3,0,0]=4 650 B10R1.176 COc1ccc(c(c1)N)Br AS04115 [0,1,0,0,0,0|3,0,0]=4 651 B10R1.176 COc1ccc(c(c1)N)Cl AS02788 [0,1,0,0,0,0|3,0,0]=4 652 B10R1.176 COc1ccc(c(c1)N)Cl AS04068 [0,1,0,0,0,0|3,0,0]=4 653 B10R1.176 COc1ccc(c(c1)N)F AS05424 [0,1,0,0,0,0|3,0,0]=4 654 B10R1.176 COc1ccc(c(c1)N)N AS05476 [0,1,0,0,0,0|3,0,0]=4 655 B10R1.176 COc1ccc(c(c1)N)N AS05477 [0,1,0,0,0,0|3,0,0]=4 656 B10R1.176 Cc1cc(ccc1Br)OC AS01021 [0,1,0,0,0,0|3,0,0]=4 657 B10R1.176 Cc1cc(ccc1Cl)OC AS02810 [0,1,0,0,0,0|3,0,0]=4 658 B10R1.176 Cc1cc(ccc1F)CN AS01941 [0,1,0,0,0,0|3,0,0]=4 659 B10R1.176 Cc1cc(ccc1F)CN AS02008 [0,1,0,0,0,0|3,0,0]=4 660 B10R1.176 Cc1cc(ccc1F)OC AS02627 [0,1,0,0,0,0|3,0,0]=4 661 B10R1.176 Cc1cc(ccc1N)OC AS00349 [0,1,0,0,0,0|3,0,0]=4 662 B10R1.176 Cc1ccc(cc1Br)OC AS05453 [0,1,0,0,0,0|3,0,0]=4 663 B10R1.176 Cc1ccc(cc1C)CCl AS00712 [0,1,0,0,0,0|3,0,0]=4 664 B10R1.176 Cc1ccc(cc1C)CN AS06971 [0,1,0,0,0,0|3,0,0]=4 665 B10R1.176 Cc1ccc(cc1C)CO AS00594 [0,1,0,0,0,0|3,0,0]=4 666 B10R1.176 Cc1ccc(cc1C)OC AS02544 [0,1,0,0,0,0|3,0,0]=4 667 B10R1.176 Cc1ccc(cc1Cl)CN AS00381 [0,1,0,0,0,0|3,0,0]=4 668 B10R1.176 Cc1ccc(cc1Cl)OC AS02808 [0,1,0,0,0,0|3,0,0]=4 669 B10R1.176 Cc1ccc(cc1F)CN AS06972 [0,1,0,0,0,0|3,0,0]=4 670 B10R1.176 Cc1ccc(cc1F)OC AS02625 [0,1,0,0,0,0|3,0,0]=4 671 B10R1.176 Cc1ccc(cc1N)OC AS05433 [0,1,0,0,0,0|3,0,0]=4 672 B10R1.176 c1cc(c(cc1C#N)O)Cl AS06369 [0,1,0,0,0,0|2,0,1]=4 673 B10R1.176 c1cc(c(cc1C#N)O)F AS05849 [0,1,0,0,0,0|2,0,1]=4 674 B10R1.176 c1cc(c(cc1C#N)O)I AS05862 [0,1,0,0,0,0|2,0,1]=4 675 B10R1.176 c1cc(c(cc1C=O)O)Br AS05537 [0,1,0,0,0,0|2,0,1]=4 676 B10R1.176 c1cc(c(cc1CBr)Br)F AS00658 [0,1,0,0,0,0|3,0,0]=4 677 B10R1.176 c1cc(c(cc1CBr)Cl)Cl AS01830 [0,1,0,0,0,0|3,0,0]=4 678 B10R1.176 c1cc(c(cc1CBr)Cl)F AS00678 [0,1,0,0,0,0|3,0,0]=4 679 B10R1.176 c1cc(c(cc1CBr)F)Cl AS00677 [0,1,0,0,0,0|3,0,0]=4 680 B10R1.176 c1cc(c(cc1CBr)F)F AS00702 [0,1,0,0,0,0|3,0,0]=4 681 B10R1.176 c1cc(c(cc1CCl)Cl)Cl AS02061 [0,1,0,0,0,0|3,0,0]=4 682 B10R1.176 c1cc(c(cc1CCl)Cl)F AS00674 [0,1,0,0,0,0|3,0,0]=4 683 B10R1.176 c1cc(c(cc1CCl)F)Cl AS00673 [0,1,0,0,0,0|3,0,0]=4 684 B10R1.176 c1cc(c(cc1CCl)F)F AS00687 [0,1,0,0,0,0|3,0,0]=4 685 B10R1.176 c1cc(c(cc1CN)Br)F AS00377 [0,1,0,0,0,0|3,0,0]=4 686 B10R1.176 c1cc(c(cc1CN)Cl)Cl AS06021 [0,1,0,0,0,0|3,0,0]=4 687 B10R1.176 c1cc(c(cc1CN)Cl)F AS01931 [0,1,0,0,0,0|3,0,0]=4 688 B10R1.176 c1cc(c(cc1CN)Cl)F AS02952 [0,1,0,0,0,0|3,0,0]=4 689 B10R1.176 c1cc(c(cc1CN)F)Cl AS02305 [0,1,0,0,0,0|3,0,0]=4 690 B10R1.176 c1cc(c(cc1CN)F)Cl AS02740 [0,1,0,0,0,0|3,0,0]=4 691 B10R1.176 c1cc(c(cc1CN)F)F AS01934 [0,1,0,0,0,0|3,0,0]=4 692 B10R1.176 c1cc(c(cc1CO)Br)Br AS03972 [0,1,0,0,0,0|3,0,0]=4 693 B10R1.176 c1cc(c(cc1CO)Cl)Cl AS00608 [0,1,0,0,0,0|3,0,0]=4 694 B10R1.176 c1cc(c(cc1CO)F)Cl AS03968 [0,1,0,0,0,0|3,0,0]=4 695 B10R1.176 c1cc(c(cc1CO)F)F AS00612 [0,1,0,0,0,0|3,0,0]=4 696 B10R1.176 c1cc(c(cc1CO)O)I AS05984 [0,1,0,0,0,0|2,0,0]=3 697 B7R1.3 c1cc(cnc1)Br AS03469 [2,0,0,0,0,0|1,0,1]=4 698 B7R1.3 c1cc(cnc1)Cl AS02841 [2,0,0,0,0,0|1,0,1]=4 699 B7R1.3 c1cc(cnc1)F AS06189 [2,0,0,0,0,0|1,0,1]=4 700 B7R1.3 c1ccc(cc1)I AS02214 [2,0,0,0,0,0|2,0,0]=4 701 B7R1.3 c1ccc(cc1)I AS04509 [2,0,0,0,0,0|2,0,0]=4 702 B7R1.3 c1ccc(cc1)S AS04135 [2,0,0,0,0,0|1,1,0]=4 703 B7R1.3 c1ccnc(c1)Cl AS06184 [2,0,0,0,0,0|1,0,1]=4 704 B7R1.3 c1ccnc(c1)F AS04826 [2,0,0,0,0,0|1,0,1]=4 705 B9R1.1 CCc1ccc(cc1)Br AS03254 [1,1,0,0,0,0|2,0,0]=4 706 B9R1.1 CCc1ccc(cc1)F AS04424 [1,1,0,0,0,0|2,0,0]=4 707 B9R1.1 CCc1ccc(cc1)I AS02159 [1,1,0,0,0,0|2,0,0]=4 708 B9R1.1 CNc1ccc(cc1)I AS05390 [1,1,0,0,0,0|2,0,0]=4 709 B9R1.1 COc1ccc(cc1)Br AS02358 [1,1,0,0,0,0|2,0,0]=4 710 B9R1.1 COc1ccc(cc1)Cl AS01802 [1,1,0,0,0,0|2,0,0]=4 711 B9R1.1 COc1ccc(cc1)F AS02586 [1,1,0,0,0,0|2,0,0]=4 712 B9R1.1 COc1ccc(cc1)I AS02208 [1,1,0,0,0,0|2,0,0]=4 713 B9R1.1 COc1ccc(cc1)O AS04576 [1,1,0,0,0,0|1,0,1]=4 714 B9R1.1 COc1ccc(nc1)Br AS04912 [1,1,0,0,0,0|1,0,1]=4 715 B9R1.1 CSc1ccc(cc1)Br AS04293 [1,1,0,0,0,0|2,0,0]=4 716 B9R1.1 CSc1ccc(cc1)Cl AS04289 [1,1,0,0,0,0|2,0,0]=4 717 B9R1.1 CSc1ccc(cc1)F AS04286 [1,1,0,0,0,0|2,0,0]=4 718 B9R1.1 CSc1ccc(cc1)N AS04283 [1,1,0,0,0,0|2,0,0]=4 719 B9R1.1 Cc1ccc(cc1)C#N AS03761 [1,1,0,0,0,0|2,0,0]=4 720 B9R1.1 Cc1ccc(cc1)C=O AS02824 [1,1,0,0,0,0|1,0,0]=3 721 B9R1.1 Cc1ccc(cc1)CCl AS00637 [1,1,0,0,0,0|2,0,0]=4 722 B9R1.1 Cc1ccc(cc1)SC AS04302 [1,1,0,0,0,0|1,1,0]=4 723 B9R1.1 Cc1ccc(nc1)C#N AS04709 [1,1,0,0,0,0|1,0,1]=4 724 B9R1.1 c1cc(ccc1C=O)Br AS02893 [1,1,0,0,0,0|2,0,0]=4 725 B9R1.1 c1cc(ccc1C=O)Cl AS02986 [1,1,0,0,0,0|2,0,0]=4 726 B9R1.1 c1cc(ccc1C=O)F AS02846 [1,1,0,0,0,0|2,0,0]=4 727 B9R1.1 c1cc(ccc1C=O)F AS03001 [1,1,0,0,0,0|2,0,0]=4 728 B9R1.1 c1cc(ccc1C=O)I AS03916 [1,1,0,0,0,0|2,0,0]=4 729 B9R1.1 c1cc(ccc1C=O)N AS06990 [1,1,0,0,0,0|2,0,0]=4 730 B9R1.1 c1cc(ccc1C=O)O AS02994 [1,1,0,0,0,0|2,0,0]=4 731 B9R1.1 c1cc(ccc1CBr)Br AS02044 [1,1,0,0,0,0|2,0,0]=4 732 B9R1.1 c1cc(ccc1CBr)Cl AS02046 [1,1,0,0,0,0|2,0,0]=4 733 B9R1.1 c1cc(ccc1CBr)F AS00664 [1,1,0,0,0,0|2,0,0]=4 734 B9R1.1 c1cc(ccc1CBr)I AS00645 [1,1,0,0,0,0|2,0,0]=4 735 B9R1.1 c1cc(ccc1CCl)Br AS00646 [1,1,0,0,0,0|2,0,0]=4 736 B9R1.1 c1cc(ccc1CCl)F AS00660 [1,1,0,0,0,0|2,0,0]=4 737 B9R1.1 c1cc(ccc1CCl)F AS02054 [1,1,0,0,0,0|2,0,0]=4 738 B9R1.1 c1cc(ccc1CN)Br AS02268 [1,1,0,0,0,0|2,0,0]=4 739 B9R1.1 c1cc(ccc1CN)Br AS03103 [1,1,0,0,0,0|2,0,0]=4 740 B9R1.1 c1cc(ccc1CN)Br AS06970 [1,1,0,0,0,0|2,0,0]=4 741 B9R1.1 c1cc(ccc1CN)Cl AS00379 [1,1,0,0,0,0|2,0,0]=4 742 B9R1.1 c1cc(ccc1CN)Cl AS02689 [1,1,0,0,0,0|2,0,0]=4 743 B9R1.1 c1cc(ccc1CN)F AS00834 [1,1,0,0,0,0|2,0,0]=4 744 B9R1.1 c1cc(ccc1CN)F AS01938 [1,1,0,0,0,0|2,0,0]=4 745 B9R1.1 c1cc(ccc1CN)I AS02223 [1,1,0,0,0,0|2,0,0]=4 746 B9R1.1 c1cc(ccc1CN)I AS02301 [1,1,0,0,0,0|2,0,0]=4 747 B9R1.1 c1cc(ccc1CO)Br AS03954 [1,1,0,0,0,0|2,0,0]=4 748 B9R1.1 c1cc(ccc1CO)Cl AS03965 [1,1,0,0,0,0|2,0,0]=4 749 B9R1.1 c1cc(ccc1CO)F AS03978 [1,1,0,0,0,0|2,0,0]=4 750 B9R1.1 c1cc(ccc1CO)I AS00604 [1,1,0,0,0,0|2,0,0]=4 751 B9R1.1 c1cc(ccc1CO)I AS03987 [1,1,0,0,0,0|2,0,0]=4 752 B9R1.1 c1cc(ccc1CO)N AS00548 [1,1,0,0,0,0|2,0,0]=4 753 B9R1.1 c1cc(ccc1CO)O AS00576 [1,1,0,0,0,0|1,0,1]=4 754 B9R1.2 CCc1cccc(c1)Br AS03253 [1,1,0,0,0,0|2,0,0]=4 755 B9R1.2 CCc1cccc(c1)N AS00465 [1,1,0,0,0,0|2,0,0]=4 756 B9R1.2 CCc1cccc(c1)O AS04468 [1,1,0,0,0,0|1,0,0]=3 757 B9R1.2 CNc1cccc(c1)O AS06505 [1,1,0,0,0,0|1,0,0]=3 758 B9R1.2 COc1cccc(c1)Br AS04314 [1,1,0,0,0,0|2,0,0]=4 759 B9R1.2 COc1cccc(c1)Cl AS02677 [1,1,0,0,0,0|2,0,0]=4 760 B9R1.2 COc1cccc(c1)F AS02585 [1,1,0,0,0,0|2,0,0]=4 761 B9R1.2 COc1cccc(c1)I AS02207 [1,1,0,0,0,0|2,0,0]=4 762 B9R1.2 COc1cccc(c1)N AS01512 [1,1,0,0,0,0|2,0,0]=4 763 B9R1.2 COc1cccc(c1)O AS00218 [1,1,0,0,0,0|1,0,0]=3 764 B9R1.2 COc1cccc(c1)S AS00080 [1,1,0,0,0,0|1,1,0]=4 765 B9R1.2 CSc1cccc(c1)Br AS04292 [1,1,0,0,0,0|2,0,0]=4 766 B9R1.2 CSc1cccc(c1)Cl AS04288 [1,1,0,0,0,0|2,0,0]=4 767 B9R1.2 CSc1cccc(c1)F AS04285 [1,1,0,0,0,0|2,0,0]=4 768 B9R1.2 CSc1cccc(c1)I AS04300 [1,1,0,0,0,0|2,0,0]=4 769 B9R1.2 CSc1cccc(c1)N AS04282 [1,1,0,0,0,0|2,0,0]=4 770 B9R1.2 Cc1cccc(c1)C#N AS02590 [1,1,0,0,0,0|2,0,0]=4 771 B9R1.2 Cc1cccc(c1)C=O AS02785 [1,1,0,0,0,0|1,0,1]=4 772 B9R1.2 Cc1cccc(c1)CCl AS00628 [1,1,0,0,0,0|2,0,0]=4 773 B9R1.2 Cc1cccc(c1)CF AS05991 [1,1,0,0,0,0|2,0,0]=4 774 B9R1.2 Cc1cccc(c1)CN AS00385 [1,1,0,0,0,0|2,0,0]=4 775 B9R1.2 Cc1cccc(c1)OC AS01016 [1,1,0,0,0,0|1,0,0]=3 776 B9R1.2 Cc1cccc(c1)SC AS04308 [1,1,0,0,0,0|1,1,0]=4 777 B9R1.2 c1cc(cc(c1)Br)CBr AS00624 [1,1,0,0,0,0|2,0,0]=4 778 B9R1.2 c1cc(cc(c1)Br)CN AS02267 [1,1,0,0,0,0|2,0,0]=4 779 B9R1.2 c1cc(cc(c1)Br)CN AS03102 [1,1,0,0,0,0|2,0,0]=4 780 B9R1.2 c1cc(cc(c1)Br)CO AS03953 [1,1,0,0,0,0|2,0,0]=4 781 B9R1.2 c1cc(cc(c1)Cl)CBr AS00001 [1,1,0,0,0,0|2,0,0]=4 782 B9R1.2 c1cc(cc(c1)Cl)CCl AS02066 [1,1,0,0,0,0|2,0,0]=4 783 B9R1.2 c1cc(cc(c1)Cl)CN AS00386 [1,1,0,0,0,0|2,0,0]=4 784 B9R1.2 c1cc(cc(c1)Cl)CN AS02688 [1,1,0,0,0,0|2,0,0]=4 785 B9R1.2 c1cc(cc(c1)Cl)CO AS03964 [1,1,0,0,0,0|2,0,0]=4 786 B9R1.2 c1cc(cc(c1)F)CBr AS00663 [1,1,0,0,0,0|2,0,0]=4 787 B9R1.2 c1cc(cc(c1)F)CCl AS00661 [1,1,0,0,0,0|2,0,0]=4 788 B9R1.2 c1cc(cc(c1)F)CF AS05720 [1,1,0,0,0,0|2,0,0]=4 789 B9R1.2 c1cc(cc(c1)F)CN AS00833 [1,1,0,0,0,0|2,0,0]=4 790 B9R1.2 c1cc(cc(c1)F)CN AS01937 [1,1,0,0,0,0|2,0,0]=4 791 B9R1.2 c1cc(cc(c1)F)CO AS03977 [1,1,0,0,0,0|2,0,0]=4 792 B9R1.2 c1cc(cc(c1)I)CBr AS00643 [1,1,0,0,0,0|2,0,0]=4 793 B9R1.2 c1cc(cc(c1)I)CN AS02222 [1,1,0,0,0,0|2,0,0]=4 794 B9R1.2 c1cc(cc(c1)I)CN AS02300 [1,1,0,0,0,0|2,0,0]=4 795 B9R1.2 c1cc(cc(c1)I)CO AS03986 [1,1,0,0,0,0|2,0,0]=4 796 B9R1.2 c1cc(cc(c1)N)CO AS00403 [1,1,0,0,0,0|2,0,0]=4 797 B9R1.2 c1cc(cc(c1)O)C#N AS02649 [1,1,0,0,0,0|1,0,1]=4 798 B9R1.2 c1cc(cc(c1)O)CO AS00159 [1,1,0,0,0,0|1,0,0]=3 799 B9R1.3 Cc1c(cccc1Cl)O AS02821 [1,1,0,0,0,0|2,0,0]=4 800 B9R1.3 Cc1c(cccc1F)O AS01397 [1,1,0,0,0,0|2,0,0]=4 801 B9R1.3 Cc1cccc(c1Br)Br AS03582 [1,1,0,0,0,0|2,0,0]=4 802 B9R1.3 Cc1cccc(c1Br)C AS00265 [1,1,0,0,0,0|2,0,0]=4 803 B9R1.3 Cc1cccc(c1Br)F AS02047 [1,1,0,0,0,0|2,0,0]=4 804 B9R1.3 Cc1cccc(c1Br)I AS03370 [1,1,0,0,0,0|2,0,0]=4 805 B9R1.3 Cc1cccc(c1Br)N AS03411 [1,1,0,0,0,0|2,0,0]=4 806 B9R1.3 Cc1cccc(c1C)Br AS00263 [1,1,0,0,0,0|2,0,0]=4 807 B9R1.3 Cc1cccc(c1C)Cl AS02701 [1,1,0,0,0,0|2,0,0]=4 808 B9R1.3 Cc1cccc(c1C)F AS01577 [1,1,0,0,0,0|2,0,0]=4 809 B9R1.3 Cc1cccc(c1C)I AS02150 [1,1,0,0,0,0|2,0,0]=4 810 B9R1.3 Cc1cccc(c1C)N AS01547 [1,1,0,0,0,0|2,0,0]=4 811 B9R1.3 Cc1cccc(c1C)O AS00199 [1,1,0,0,0,0|1,0,0]=3 812 B9R1.3 Cc1cccc(c1Cl)Br AS03174 [1,1,0,0,0,0|2,0,0]=4 813 B9R1.3 Cc1cccc(c1Cl)C AS02706 [1,1,0,0,0,0|2,0,0]=4 814 B9R1.3 Cc1cccc(c1Cl)Cl AS02894 [1,1,0,0,0,0|2,0,0]=4 815 B9R1.3 Cc1cccc(c1Cl)I AS03075 [1,1,0,0,0,0|2,0,0]=4 816 B9R1.3 Cc1cccc(c1Cl)N AS02803 [1,1,0,0,0,0|2,0,0]=4 817 B9R1.3 Cc1cccc(c1F)Br AS02051 [1,1,0,0,0,0|2,0,0]=4 818 B9R1.3 Cc1cccc(c1F)C AS01578 [1,1,0,0,0,0|2,0,0]=4 819 B9R1.3 Cc1cccc(c1F)Cl AS02063 [1,1,0,0,0,0|2,0,0]=4 820 B9R1.3 Cc1cccc(c1F)F AS02068 [1,1,0,0,0,0|2,0,0]=4 821 B9R1.3 Cc1cccc(c1F)I AS02073 [1,1,0,0,0,0|2,0,0]=4 822 B9R1.3 Cc1cccc(c1F)N AS04088 [1,1,0,0,0,0|2,0,0]=4 823 B9R1.3 Cc1cccc(c1F)O AS01396 [1,1,0,0,0,0|1,0,0]=3 824 B9R1.3 Cc1cccc(c1I)Br AS03374 [1,1,0,0,0,0|2,0,0]=4 825 B9R1.3 Cc1cccc(c1I)C AS02152 [1,1,0,0,0,0|2,0,0]=4 826 B9R1.3 Cc1cccc(c1I)Cl AS03078 [1,1,0,0,0,0|2,0,0]=4 827 B9R1.3 Cc1cccc(c1I)F AS02032 [1,1,0,0,0,0|2,0,0]=4 828 B9R1.3 Cc1cccc(c1I)F AS05019 [1,1,0,0,0,0|2,0,0]=4 829 B9R1.3 Cc1cccc(c1I)I AS02146 [1,1,0,0,0,0|2,0,0]=4 830 B9R1.3 Cc1cccc(c1I)N AS02254 [1,1,0,0,0,0|2,0,0]=4 831 B9R1.3 Cc1cccc(c1I)O AS06519 [1,1,0,0,0,0|1,0,0]=3 832 B9R1.3 Cc1cccc(c1N)Br AS05299 [1,1,0,0,0,0|2,0,0]=4 833 B9R1.3 Cc1cccc(c1N)C AS01550 [1,1,0,0,0,0|2,0,0]=4 834 B9R1.3 Cc1cccc(c1N)Cl AS06940 [1,1,0,0,0,0|2,0,0]=4 835 B9R1.3 Cc1cccc(c1N)F AS04089 [1,1,0,0,0,0|2,0,0]=4 836 B9R1.3 Cc1cccc(c1N)N AS00446 [1,1,0,0,0,0|2,0,0]=4 837 B9R1.3 Cc1cccc(c1N)O AS05432 [1,1,0,0,0,0|1,0,0]=3 838 B9R1.3 Cc1cccc(c1O)C AS00179 [1,1,0,0,0,0|2,0,0]=4 839 B9R1.3 Cc1cccc(c1O)Cl AS04496 [1,1,0,0,0,0|2,0,0]=4 840 B9R1.3 Cc1cccc(c1O)F AS05495 [1,1,0,0,0,0|2,0,0]=4 841 B9R1.3 c1cc(c(c(c1)Br)Br)O AS05478 [1,1,0,0,0,0|2,0,0]=4 842 B9R1.3 c1cc(c(c(c1)Br)Cl)O AS06539 [1,1,0,0,0,0|2,0,0]=4 843 B9R1.3 c1cc(c(c(c1)Br)F)O AS05444 [1,1,0,0,0,0|2,0,0]=4 844 B9R1.3 c1cc(c(c(c1)Br)I)O AS05449 [1,1,0,0,0,0|2,0,0]=4 845 B9R1.3 c1cc(c(c(c1)Br)N)O AS05407 [1,1,0,0,0,0|2,0,0]=4 846 B9R1.3 c1cc(c(c(c1)Cl)F)O AS01377 [1,1,0,0,0,0|2,0,0]=4 847 B9R1.3 c1cc(c(c(c1)Cl)I)O AS05467 [1,1,0,0,0,0|2,0,0]=4 848 B9R1.3 c1cc(c(c(c1)Cl)O)O AS06480 [1,1,0,0,0,0|2,0,0]=4 849 B9R1.3 c1cc(c(c(c1)F)Br)O AS00201 [1,1,0,0,0,0|2,0,0]=4 850 B9R1.3 c1cc(c(c(c1)F)Cl)O AS05465 [1,1,0,0,0,0|2,0,0]=4 851 B9R1.3 c1cc(c(c(c1)F)F)O AS00198 [1,1,0,0,0,0|2,0,0]=4 852 B9R1.3 c1cc(c(c(c1)F)O)O AS01419 [1,1,0,0,0,0|2,0,0]=4 853 B9R1.3 c1cc(c(c(c1)O)Cl)O AS06479 [1,1,0,0,0,0|2,0,0]=4 854 B9R1.3 c1cc(c(c(c1)O)F)O AS01418 [1,1,0,0,0,0|2,0,0]=4 855 B9R1.34 Cc1cc(cc(c1)Br)Br AS00125 [1,1,0,0,0,0|2,0,0]=4 856 B9R1.34 Cc1cc(cc(c1)Br)C AS03234 [1,1,0,0,0,0|2,0,0]=4 857 B9R1.34 Cc1cc(cc(c1)Br)Cl AS03664 [1,1,0,0,0,0|2,0,0]=4 858 B9R1.34 Cc1cc(cc(c1)Br)F AS01020 [1,1,0,0,0,0|2,0,0]=4 859 B9R1.34 Cc1cc(cc(c1)Br)N AS03667 [1,1,0,0,0,0|2,0,0]=4 860 B9R1.34 Cc1cc(cc(c1)Br)O AS05454 [1,1,0,0,0,0|1,0,0]=3 861 B9R1.34 Cc1cc(cc(c1)Cl)C AS02705 [1,1,0,0,0,0|2,0,0]=4 862 B9R1.34 Cc1cc(cc(c1)Cl)Cl AS06320 [1,1,0,0,0,0|2,0,0]=4 863 B9R1.34 Cc1cc(cc(c1)Cl)N AS06942 [1,1,0,0,0,0|2,0,0]=4 864 B9R1.34 Cc1cc(cc(c1)F)C AS01579 [1,1,0,0,0,0|2,0,0]=4 865 B9R1.34 Cc1cc(cc(c1)F)F AS02072 [1,1,0,0,0,0|2,0,0]=4 866 B9R1.34 Cc1cc(cc(c1)F)N AS03243 [1,1,0,0,0,0|2,0,0]=4 867 B9R1.34 Cc1cc(cc(c1)I)Br AS03376 [1,1,0,0,0,0|2,0,0]=4 868 B9R1.34 Cc1cc(cc(c1)I)C AS02154 [1,1,0,0,0,0|2,0,0]=4 869 B9R1.34 Cc1cc(cc(c1)I)F AS02075 [1,1,0,0,0,0|2,0,0]=4 870 B9R1.34 Cc1cc(cc(c1)O)C AS00190 [1,1,0,0,0,0|1,0,0]=3 871 B9R1.34 Cc1cc(cc(c1)S)C AS04133 [1,1,0,0,0,0|1,1,0]=4 872 B9R1.34 c1c(cc(cc1Br)Br)O AS00158 [1,1,0,0,0,0|2,0,0]=4 873 B9R1.34 c1c(cc(cc1Cl)Br)O AS03168 [1,1,0,0,0,0|2,0,0]=4 874 B9R1.34 c1c(cc(cc1Cl)Cl)O AS00184 [1,1,0,0,0,0|2,0,0]=4 875 B9R1.34 c1c(cc(cc1F)Br)O AS01363 [1,1,0,0,0,0|2,0,0]=4 876 B9R1.34 c1c(cc(cc1F)Cl)O AS00393 [1,1,0,0,0,0|2,0,0]=4 877 B9R1.34 c1c(cc(cc1F)F)O AS00208 [1,1,0,0,0,0|2,0,0]=4 878 B9R1.34 c1c(cc(cc1O)Br)O AS05459 [1,1,0,0,0,0|2,0,0]=4 879 B9R1.34 c1c(cc(cc1O)O)O AS04650 [1,1,0,0,0,0|2,0,0]=4 880 B9R1.15 COc1ccccc1Br AS02357 [1,1,0,0,0,0|2,0,0]=4 881 B9R1.15 COc1ccccc1Cl AS02676 [1,1,0,0,0,0|2,0,0]=4 882 B9R1.15 COc1ccccc1F AS01803 [1,1,0,0,0,0|2,0,0]=4 883 B9R1.15 COc1ccccc1I AS02206 [1,1,0,0,0,0|2,0,0]=4 884 B9R1.15 COc1ccccc1N AS01503 [1,1,0,0,0,0|2,0,0]=4 885 B9R1.15 CSc1ccccc1O AS04298 [1,1,0,0,0,0|1,1,0]=4 886 B9R1.15 Cc1ccccc1C=O AS02777 [1,1,0,0,0,0|2,0,0]=4 887 B9R1.15 Cc1ccccc1OC AS01015 [1,1,0,0,0,0|2,0,0]=4 888 B9R1.15 c1ccc(c(c1)C#N)O AS02648 [1,1,0,0,0,0|2,0,0]=4 889 B9R1.15 c1ccc(c(c1)C=O)Br AS03776 [1,1,0,0,0,0|2,0,0]=4 890 B9R1.15 c1ccc(c(c1)C=O)F AS02999 [1,1,0,0,0,0|2,0,0]=4 891 B9R1.15 c1ccc(c(c1)C=O)I AS03914 [1,1,0,0,0,0|2,0,0]=4 892 B9R1.15 c1ccc(c(c1)C=O)N AS04430 [1,1,0,0,0,0|2,0,0]=4 893 B9R1.15 c1ccc(c(c1)C=O)O AS03003 [1,1,0,0,0,0|1,0,0]=3 894 B9R1.15 c1ccc(c(c1)C=O)O AS07244 [1,1,0,0,0,0|1,0,0]=3 895 B9R1.15 c1ccc(c(c1)CO)Br AS03952 [1,1,0,0,0,0|2,0,0]=4 896 B9R1.15 c1ccc(c(c1)CO)Cl AS03963 [1,1,0,0,0,0|2,0,0]=4 897 B9R1.15 c1ccc(c(c1)CO)F AS03976 [1,1,0,0,0,0|2,0,0]=4 898 B9R1.15 c1ccc(c(c1)CO)I AS03985 [1,1,0,0,0,0|2,0,0]=4 899 B9R1.15 c1ccc(c(c1)CO)N AS00575 [1,1,0,0,0,0|2,0,0]=4 900 B9R1.15 c1ccc(c(c1)CO)O AS00547 [1,1,0,0,0,0|1,0,1]=4 901 B11R1.8 Cc1cc(c(c(c1)OC)C)C AS01077 [0,2,0,0,0,0|2,0,0]=4 902 B11R1.464 Cc1cc(c(c(c1)Cl)C=O)Cl AS04591 [0,2,0,0,0,0|2,0,0]=4 903 B11R1.464 Cc1cc(c(c(c1)O)C=O)C AS05593 [0,2,0,0,0,0|1,0,0]=3 904 B11R1.37 COc1cc(ccc1C=O)Br AS02782 [0,2,0,0,0,0|2,0,0]=4 905 B11R1.37 COc1cc(ccc1C=O)Cl AS03934 [0,2,0,0,0,0|2,0,0]=4 906 B11R1.37 COc1cc(ccc1C=O)Cl AS05560 [0,2,0,0,0,0|2,0,0]=4 907 B11R1.37 COc1cc(ccc1C=O)F AS03036 [0,2,0,0,0,0|2,0,0]=4 908 B11R1.37 COc1cc(ccc1C=O)O AS06309 [0,2,0,0,0,0|2,0,0]=4 909 B11R1.37 Cc1ccc(c(c1)C#N)C=O AS06373 [0,2,0,0,0,0|2,0,0]=4 910 B11R1.37 Cc1ccc(c(c1)OC)C#N AS05867 [0,2,0,0,0,0|2,0,0]=4 911 B11R1.37 Cc1ccc(c(c1)OC)OC AS02540 [0,2,0,0,0,0|1,0,1]=4 912 B11R1.166 CC(=O)c1ccc(cc1O)Cl AS05146 [0,2,0,0,0,0|2,0,0]=4 913 B11R1.166 CC(=O)c1ccc(cc1O)F AS01201 [0,2,0,0,0,0|2,0,0]=4 914 B11R1.166 CC(=O)c1ccc(cc1O)N AS05250 [0,2,0,0,0,0|2,0,0]=4 915 B11R1.166 CC(=O)c1ccc(cc1O)O AS01140 [0,2,0,0,0,0|2,0,0]=4 916 B11R1.166 Cc1ccc(c(c1)Br)C(=O)O AS00875 [0,2,0,0,0,0|2,0,0]=4 917 B11R1.166 Cc1ccc(c(c1)C)C(=O)Cl AS00021 [0,2,0,0,0,0|2,0,0]=4 918 B11R1.166 Cc1ccc(c(c1)C)C(=O)O AS03894 [0,2,0,0,0,0|2,0,0]=4 919 B11R1.166 Cc1ccc(c(c1)Cl)C(=O)O AS00152 [0,2,0,0,0,0|2,0,0]=4 920 B11R1.166 Cc1ccc(c(c1)Cl)[N+](=O)[O-] AS02916 [0,2,0,0,0,0|2,0,0]=4 921 B11R1.166 Cc1ccc(c(c1)F)C(=O)O AS00764 [0,2,0,0,0,0|2,0,0]=4 922 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] AS02078 [0,2,0,0,0,0|2,0,0]=4 923 B11R1.166 Cc1ccc(c(c1)I)[N+](=O)[O-] AS02093 [0,2,0,0,0,0|2,0,0]=4 924 B11R1.166 Cc1ccc(c(c1)N)C(=O)O AS00771 [0,2,0,0,0,0|2,0,0]=4 925 B11R1.166 Cc1ccc(c(c1)N)[N+](=O)[O-] AS02089 [0,2,0,0,0,0|2,0,0]=4 926 B11R1.166 Cc1ccc(c(c1)O)C(=O)C AS05195 [0,2,0,0,0,0|1,0,0]=3 927 B11R1.166 Cc1ccc(c(n1)O)[N+](=O)[O-] AS04943 [0,2,0,0,0,0|2,0,0]=4 928 B11R1.166 c1cc(c(cc1Br)O)C(=O)N AS03343 [0,2,0,0,0,0|2,0,0]=4 929 B11R1.166 c1cc(c(cc1Br)O)C(=O)O AS00769 [0,2,0,0,0,0|2,0,0]=4 930 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] AS05458 [0,2,0,0,0,0|2,0,0]=4 931 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O AS02762 [0,2,0,0,0,0|2,0,0]=4 932 B11R1.166 c1cc(c(cc1F)O)C(=O)O AS01858 [0,2,0,0,0,0|2,0,0]=4 933 B11R1.166 c1cc(c(cc1F)O)[N+](=O)[O-] AS01405 [0,2,0,0,0,0|2,0,0]=4 934 B11R1.166 c1cc(c(cc1I)O)C(=O)O AS02196 [0,2,0,0,0,0|2,0,0]=4 935 B11R1.166 c1cc(c(cc1O)O)C(=O)O AS00962 [0,2,0,0,0,0|2,0,0]=4 936 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] AS06332 [0,2,0,0,0,0|2,0,0]=4 937 B11R1.277 Cc1cc(c(cc1Br)C=O)F AS04973 [0,2,0,0,0,0|2,0,0]=4 938 B11R1.277 Cc1cc(c(cc1Cl)C=O)O AS06664 [0,2,0,0,0,0|1,0,0]=3 939 B11R1.277 Cc1cc(c(cc1F)C=O)Br AS05536 [0,2,0,0,0,0|2,0,0]=4 940 B11R1.277 Cc1cc(c(cc1F)C=O)O AS07166 [0,2,0,0,0,0|1,0,0]=3 941 B11R1.277 Cc1cc(c(cc1O)C)C#N AS02575 [0,2,0,0,0,0|2,0,0]=4 942 B11R1.277 Cc1cc(c(cc1O)C)C=O AS04410 [0,2,0,0,0,0|2,0,0]=4 943 B11R1.277 c1c(c(cc(c1F)F)O)C=O AS05585 [0,2,0,0,0,0|2,0,0]=4 944 B11R1.279 COc1ccc(c(c1)Br)C=O AS05539 [0,2,0,0,0,0|2,0,0]=4 945 B11R1.279 COc1ccc(c(c1)Cl)C=O AS05556 [0,2,0,0,0,0|2,0,0]=4 946 B11R1.279 COc1ccc(c(c1)F)C=O AS03035 [0,2,0,0,0,0|2,0,0]=4 947 B11R1.279 COc1ccc(c(c1)O)C#N AS06261 [0,2,0,0,0,0|2,0,0]=4 948 B11R1.279 COc1ccc(c(c1)O)OC AS06540 [0,2,0,0,0,0|1,0,1]=4 949 B11R1.279 Cc1cc(ccc1C=O)OC AS02210 [0,2,0,0,0,0|2,0,0]=4 950 B11R1.279 Cc1cc(ccc1C=O)OC AS07028 [0,2,0,0,0,0|2,0,0]=4 951 B11R1.72 Cc1ccc(c(c1Cl)OC)F AS04266 [0,2,0,0,0,0|2,0,0]=4 952 B11R1.72 Cc1ccc(c(c1F)OC)Cl AS04267 [0,2,0,0,0,0|2,0,0]=4 953 B11R1.72 Cc1ccc(c(c1F)OC)F AS04253 [0,2,0,0,0,0|2,0,0]=4 954 B11R1.167 Cc1ccc(c(c1)C(=O)O)Br AS03425 [0,2,0,0,0,0|2,0,0]=4 955 B11R1.167 Cc1ccc(c(c1)C(=O)O)C AS00745 [0,2,0,0,0,0|2,0,0]=4 956 B11R1.167 Cc1ccc(c(c1)C(=O)O)Cl AS00923 [0,2,0,0,0,0|2,0,0]=4 957 B11R1.167 Cc1ccc(c(c1)C(=O)O)F AS01871 [0,2,0,0,0,0|2,0,0]=4 958 B11R1.167 Cc1ccc(c(c1)C(=O)O)I AS02262 [0,2,0,0,0,0|2,0,0]=4 959 B11R1.167 Cc1ccc(c(c1)C(=O)O)N AS00870 [0,2,0,0,0,0|2,0,0]=4 960 B11R1.182 Cc1ccc(c(c1)CCO)C AS00587 [0,2,0,0,0,0|2,0,0]=4 961 B11R1.280 CCc1ccc(c(c1)OC)Cl AS02712 [0,2,0,0,0,0|2,0,0]=4 962 B11R1.280 CCc1ccc(c(c1)OC)Cl AS04234 [0,2,0,0,0,0|2,0,0]=4 963 B11R1.280 COc1cc(ccc1F)CBr AS05974 [0,2,0,0,0,0|2,0,0]=4 964 B11R1.280 COc1cc(ccc1F)CCl AS00668 [0,2,0,0,0,0|2,0,0]=4 965 B11R1.280 COc1cc(ccc1F)CN AS02610 [0,2,0,0,0,0|2,0,0]=4 966 B11R1.280 COc1cc(ccc1F)CO AS03983 [0,2,0,0,0,0|2,0,0]=4 967 B11R1.280 COc1ccc(c(c1)CO)F AS03981 [0,2,0,0,0,0|2,0,0]=4 968 B11R1.280 COc1ccc(c(c1)OC)Br AS03217 [0,2,0,0,0,0|2,0,0]=4 969 B11R1.280 COc1ccc(c(c1)OC)Cl AS02696 [0,2,0,0,0,0|2,0,0]=4 970 B11R1.280 COc1ccc(c(c1)OC)F AS05712 [0,2,0,0,0,0|2,0,0]=4 971 B11R1.280 COc1ccc(c(c1)OC)I AS02535 [0,2,0,0,0,0|2,0,0]=4 972 B11R1.280 Cc1ccc(cc1OC)CN AS00998 [0,2,0,0,0,0|2,0,0]=4 973 B11R1.280 Cc1ccc(cc1OC)CO AS03990 [0,2,0,0,0,0|2,0,0]=4 974 B11R1.280 Cc1ccc(cc1OC)OC AS02539 [0,2,0,0,0,0|2,0,0]=4 975 B11R1.21 CC(=O)c1ccc(c(c1)O)F AS03881 [0,2,0,0,0,0|2,0,0]=4 976 B11R1.21 Cc1ccc(cc1O)C(=O)C AS05196 [0,2,0,0,0,0|2,0,0]=4 977 B11R1.21 Cc1ccc(cc1O)C(C)C AS07190 [0,2,0,0,0,0|2,0,0]=4 978 B11R2.36 Cc1ccc2c(c1)OCO2 AS01485 [0,1,0,1,0,0|1,0,1]=4 979 B7R1.4 Cc1cscc1Br AS06573 [1,0,0,0,1,0|2,0,0]=4