0 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,0,0,0,0,0|4,0,0]=4 1 B10R1.25 COc1ccc(cc1F)N LS10107 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.25 COc1ccc(cc1F)O LS10467 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.25 COc1ccc(cc1I)N LS10132 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,0,0,0,0,0|3,0,1]=4 5 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,0,0,0,0,0|2,0,0]=2 7 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,0,0,0,0,0|2,0,2]=4 8 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,0,0,0,0,0|3,0,1]=4 9 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,0,0,0,0,0|1,0,0]=1 12 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,0,0,0,0,0|2,0,0]=2 13 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,0,0,0,0,0|3,0,1]=4 14 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,0,0,0,0,0|2,0,0]=2 15 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,0,0,0,0,0|3,0,1]=4 16 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,0,0,0,0,0|1,0,0]=1 17 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,0,0,0,0,0|2,0,0]=2 18 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,0,0,0,0,0|3,0,1]=4 19 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,0,0,0,0,0|2,0,0]=2 20 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,0,0,0,0,0|1,0,0]=1 21 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,0,0,0,0,0|3,0,1]=4 22 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,0,0,0,0,0|3,0,1]=4 23 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,0,0,0,0,0|3,0,1]=4 24 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,0,0,0,0,0|2,0,0]=3 26 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 CCc1ccc(cc1)F LS11765 [1,0,0,0,0,0|2,0,1]=4 28 B9R1.1 COc1ccc(cc1)O LS10474 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 COc1ccc(cc1)S LS11831 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 Cc1ccc(cc1)C#C LS10578 [1,0,0,0,0,0|1,0,1]=3 31 B9R1.1 Cc1ccc(cc1)CBr LS11264 [1,0,0,0,0,0|1,0,1]=3 32 B9R1.1 Cc1ccc(cc1)CN LS11220 [1,0,0,0,0,0|1,0,1]=3 33 B9R1.1 Cc1ccc(cc1)CO LS11273 [1,0,0,0,0,0|0,0,2]=3 34 B9R1.1 Cc1ccc(nc1)C#N LS20218 [1,0,0,0,0,0|2,0,1]=4 35 B9R1.1 Cc1ccc(nc1)OC LS20323 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.1 c1cc(ccc1C#N)Br LS11574 [1,0,0,0,0,0|2,0,1]=4 37 B9R1.1 c1cc(ccc1C#N)F LS10440 [1,0,0,0,0,0|2,0,1]=4 38 B9R1.1 c1cc(ccc1C#N)N LS10115 [1,0,0,0,0,0|2,0,1]=4 39 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.1 c1cc(ccc1CBr)Br LS11427 [1,0,0,0,0,0|2,0,1]=4 41 B9R1.1 c1cc(ccc1CBr)F LS10228 [1,0,0,0,0,0|2,0,1]=4 42 B9R1.1 c1cc(ccc1CBr)I LS11269 [1,0,0,0,0,0|2,0,1]=4 43 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [1,0,0,0,0,0|2,0,1]=4 44 B9R1.1 c1cc(ccc1CO)I LS11275 [1,0,0,0,0,0|1,0,2]=4 45 B9R1.1 c1cc(ccc1CO)N LS10779 [1,0,0,0,0,0|1,0,2]=4 46 B9R1.1 c1cc(ccc1NN)F LS10358 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.1 c1cc(ncc1Br)C=O LS20518 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.1 c1cc(ncc1C=O)Br LS20544 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.1 c1cc(ncc1C=O)Cl LS20242 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.1 c1cc(ncc1Cl)C=O LS20775 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,0,0,0,0|2,0,0]=3 52 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.15 CNc1ccccc1Br LS11478 [1,0,0,0,0,0|3,0,0]=4 55 B9R1.15 CNc1ccccc1F LS10646 [1,0,0,0,0,0|3,0,0]=4 56 B9R1.15 CSc1ccccc1Br LS11369 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.15 Cc1ccccc1C#C LS11393 [1,0,0,0,0,0|2,0,1]=4 58 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.15 Cc1ccccc1CBr LS11262 [1,0,0,0,0,0|2,0,1]=4 60 B9R1.15 Cc1ccccc1CN LS11218 [1,0,0,0,0,0|2,0,1]=4 61 B9R1.15 Cc1ccccc1CO LS11274 [1,0,0,0,0,0|1,0,2]=4 62 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,0,0,0,0,0|1,0,0]=2 63 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,0,0,0,0,0|1,0,2]=4 64 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [1,0,0,0,0,0|2,0,0]=3 65 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [1,0,0,0,0,0|2,0,0]=3 66 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [1,0,0,0,0,0|2,0,1]=4 67 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,0,0,0,0,0|1,0,0]=2 68 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [1,0,0,0,0,0|2,0,1]=4 69 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,0,0,0,0,0|1,0,1]=3 70 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,0,0,0,0|1,0,0]=2 71 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,0,0,0,0,0|2,0,1]=4 72 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,0,0,0,0,0|2,0,1]=4 73 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,0,0,0,0,0|2,0,1]=4 74 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,0,0,0,0,0|1,0,2]=4 75 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,0,0,0,0,0|1,0,2]=4 76 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,0,0,0,0,0|1,0,2]=4 77 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,0,0,0,0,0|3,0,0]=4 78 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,0,0,0,0,0|3,0,0]=4 79 B9R1.15 c1cncc(c1C=O)Br LS20109 [1,0,0,0,0,0|2,0,0]=3 80 B9R1.69 Cc1cc(c(=O)[nH]c1)N LS20003 [1,0,0,0,0,0|2,0,0]=3 81 B9R1.69 Cc1cc(c(nc1)Br)Br LS20386 [1,0,0,0,0,0|3,0,0]=4 82 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [1,0,0,0,0,0|3,0,0]=4 83 B9R1.69 Cc1cc(c(nc1)Br)N LS20369 [1,0,0,0,0,0|3,0,0]=4 84 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [1,0,0,0,0,0|2,0,1]=4 85 B9R1.69 Cc1cc(c(nc1)Cl)F LS20093 [1,0,0,0,0,0|3,0,0]=4 86 B9R1.69 Cc1cc(c(nc1)Cl)N LS20551 [1,0,0,0,0,0|3,0,0]=4 87 B9R1.69 Cc1cc(c(nc1)F)I LS20636 [1,0,0,0,0,0|3,0,0]=4 88 B9R1.69 Cc1cc(c(nc1)N)Br LS20448 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.69 Cc1cc(ccc1Br)F LS10433 [1,0,0,0,0,0|3,0,0]=4 90 B9R1.69 Cc1cc(ccc1Br)O LS10569 [1,0,0,0,0,0|3,0,0]=4 91 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [1,0,0,0,0,0|3,0,0]=4 92 B9R1.69 Cc1cc(ccc1F)N LS10454 [1,0,0,0,0,0|3,0,0]=4 93 B9R1.69 Cc1cc(ccc1O)Br LS10229 [1,0,0,0,0,0|2,0,1]=4 94 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [1,0,0,0,0,0|2,0,1]=4 95 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [1,0,0,0,0,0|2,0,0]=3 96 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [1,0,0,0,0,0|1,0,1]=3 97 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [1,0,0,0,0,0|1,0,1]=3 98 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [1,0,0,0,0,0|2,0,0]=3 99 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [1,0,0,0,0,0|2,0,0]=3 100 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [1,0,0,0,0,0|2,0,0]=3 101 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [1,0,0,0,0,0|2,0,0]=3 102 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [1,0,0,0,0,0|1,0,0]=2 103 B9R1.69 Cc1ccc(c(n1)Br)F LS20415 [1,0,0,0,0,0|3,0,0]=4 104 B9R1.69 Cc1ccc(c(n1)Cl)Br LS20497 [1,0,0,0,0,0|3,0,0]=4 105 B9R1.69 Cc1ccc(c(n1)Cl)N LS20511 [1,0,0,0,0,0|3,0,0]=4 106 B9R1.69 Cc1ccc(c(n1)F)Br LS20349 [1,0,0,0,0,0|3,0,0]=4 107 B9R1.69 Cc1ccc(c(n1)N)Br LS20734 [1,0,0,0,0,0|3,0,0]=4 108 B9R1.69 Cc1ccc(c(n1)N)I LS21037 [1,0,0,0,0,0|3,0,0]=4 109 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [1,0,0,0,0,0|2,0,1]=4 110 B9R1.69 Cc1ccc(cc1Br)F LS10434 [1,0,0,0,0,0|2,0,1]=4 111 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [1,0,0,0,0,0|2,0,1]=4 112 B9R1.69 Cc1ccc(cc1F)N LS10457 [1,0,0,0,0,0|2,0,1]=4 113 B9R1.69 Cc1ccc(cc1N)Br LS10331 [1,0,0,0,0,0|2,0,1]=4 114 B9R1.69 Cc1ccc(cc1N)F LS10455 [1,0,0,0,0,0|2,0,1]=4 115 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [1,0,0,0,0,0|3,0,0]=4 116 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [1,0,0,0,0,0|3,0,0]=4 117 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [1,0,0,0,0,0|2,0,1]=4 118 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [1,0,0,0,0,0|3,0,0]=4 119 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [1,0,0,0,0,0|3,0,0]=4 120 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [1,0,0,0,0,0|3,0,0]=4 121 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [1,0,0,0,0,0|3,0,0]=4 122 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [1,0,0,0,0,0|3,0,0]=4 123 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [1,0,0,0,0,0|3,0,0]=4 124 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [1,0,0,0,0,0|3,0,0]=4 125 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [1,0,0,0,0,0|3,0,0]=4 126 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [1,0,0,0,0,0|3,0,0]=4 127 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [1,0,0,0,0,0|2,0,1]=4 128 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [1,0,0,0,0,0|2,0,0]=3 129 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [1,0,0,0,0,0|2,0,0]=3 130 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [1,0,0,0,0,0|2,0,0]=3 131 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [1,0,0,0,0,0|2,0,1]=4 132 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [1,0,0,0,0,0|3,0,0]=4 133 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [1,0,0,0,0,0|3,0,0]=4 134 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [1,0,0,0,0,0|3,0,0]=4 135 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [1,0,0,0,0,0|3,0,0]=4 136 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [1,0,0,0,0,0|2,0,1]=4 137 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [1,0,0,0,0,0|2,0,0]=3 138 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [1,0,0,0,0,0|3,0,0]=4 139 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [1,0,0,0,0,0|2,0,1]=4 140 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [1,0,0,0,0,0|2,1,0]=4 141 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [1,0,0,0,0,0|3,0,0]=4 142 B9R1.69 c1cc(c(cc1F)N)O LS10399 [1,0,0,0,0,0|2,0,1]=4 143 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [1,0,0,0,0,0|2,0,0]=3 144 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [1,0,0,0,0,0|2,0,0]=3 145 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [1,0,0,0,0,0|3,0,0]=4 146 B9R1.69 c1cc(c(cc1I)F)N LS10451 [1,0,0,0,0,0|3,0,0]=4 147 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [1,0,0,0,0,0|3,0,0]=4 148 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [1,0,0,0,0,0|3,0,0]=4 149 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [1,0,0,0,0,0|3,0,0]=4 150 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [1,0,0,0,0,0|3,0,0]=4 151 B9R1.69 c1cc(c(cc1N)F)I LS10449 [1,0,0,0,0,0|3,0,0]=4 152 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [1,0,0,0,0,0|2,0,0]=3 153 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [1,0,0,0,0,0|3,0,0]=4 154 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [1,0,0,0,0,0|3,0,0]=4 155 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [1,0,0,0,0,0|2,0,1]=4 156 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [1,0,0,0,0,0|3,0,0]=4 157 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [1,0,0,0,0,0|3,0,0]=4 158 B9R1.69 c1cc(c(cc1O)F)N LS00146 [1,0,0,0,0,0|3,0,0]=4 159 B9R1.69 c1cc(c(cc1O)F)O LS00052 [1,0,0,0,0,0|2,0,1]=4 160 B9R1.69 c1cc(c(cc1O)N)F LS10007 [1,0,0,0,0,0|3,0,0]=4 161 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [1,0,0,0,0,0|2,0,0]=3 162 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [1,0,0,0,0,0|3,0,0]=4 163 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [0,1,0,0,0,0|2,0,1]=4 164 B11R1.37 COc1cc(ccc1C=O)F LS10599 [0,1,0,0,0,0|1,0,0]=2 165 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,1,0,0,0,0|2,0,1]=4 166 B11R1.166 B(c1ccc(cc1Cl)C)(O)O LS11410 [0,1,0,0,0,0|2,0,1]=4 167 B11R1.166 B(c1ccc(cc1F)C)(O)O LS10981 [0,1,0,0,0,0|2,0,1]=4 168 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,1,0,0,0,0|2,0,0]=3 169 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,1,0,0,0,0|2,0,0]=3 170 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,1,0,0,0,0|1,0,0]=2 171 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,1,0,0,0,0|2,0,0]=3 172 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F LS11421 [0,1,0,0,0,0|3,0,0]=4 173 B11R1.166 Cc1ccc(c(c1)F)C(=O)O LS10521 [0,1,0,0,0,0|1,0,0]=2 174 B11R1.166 Cc1ccc(c(c1)F)[N+](=O)[O-] LS10436 [0,1,0,0,0,0|2,0,0]=3 175 B11R1.166 Cc1ccc(c(n1)Cl)C(=O)O LS20787 [0,1,0,0,0,0|2,0,0]=3 176 B11R1.166 Cc1ccc(c(n1)Cl)[N+](=O)[O-] LS20358 [0,1,0,0,0,0|3,0,0]=4 177 B11R1.166 Cc1ccc(c(n1)N)[N+](=O)[O-] LS20502 [0,1,0,0,0,0|3,0,0]=4 178 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br LS20021 [0,1,0,0,0,0|3,0,0]=4 179 B11R1.166 c1cc(c(cc1Br)Br)C(=O)O LS10326 [0,1,0,0,0,0|2,0,0]=3 180 B11R1.166 c1cc(c(cc1Br)Cl)C(=O)O LS10346 [0,1,0,0,0,0|2,0,0]=3 181 B11R1.166 c1cc(c(cc1Br)F)C(=O)O LS10691 [0,1,0,0,0,0|2,0,0]=3 182 B11R1.166 c1cc(c(cc1Br)F)[N+](=O)[O-] LS10479 [0,1,0,0,0,0|3,0,0]=4 183 B11R1.166 c1cc(c(cc1Br)N)C(=O)O LS11470 [0,1,0,0,0,0|2,0,0]=3 184 B11R1.166 c1cc(c(cc1Cl)Cl)C(=O)O LS10673 [0,1,0,0,0,0|2,0,0]=3 185 B11R1.166 c1cc(c(cc1Cl)F)[N+](=O)[O-] LS00111 [0,1,0,0,0,0|3,0,0]=4 186 B11R1.166 c1cc(c(cc1Cl)N)C(=O)N LS10587 [0,1,0,0,0,0|2,0,0]=3 187 B11R1.166 c1cc(c(cc1Cl)N)C(=O)O LS11433 [0,1,0,0,0,0|2,0,0]=3 188 B11R1.166 c1cc(c(cc1Cl)O)C(=O)O LS10716 [0,1,0,0,0,0|1,0,0]=2 189 B11R1.166 c1cc(c(cc1F)Br)[N+](=O)[O-] LS10299 [0,1,0,0,0,0|3,0,0]=4 190 B11R1.166 c1cc(c(cc1F)Cl)[N+](=O)[O-] LS10294 [0,1,0,0,0,0|3,0,0]=4 191 B11R1.166 c1cc(c(cc1F)F)C(=O)[O-] LS11163 [0,1,0,0,0,0|2,0,0]=3 192 B11R1.166 c1cc(c(cc1F)N)C(=O)O LS10234 [0,1,0,0,0,0|2,0,0]=3 193 B11R1.166 c1cc(c(cc1F)N)[N+](=O)[O-] LS10279 [0,1,0,0,0,0|3,0,0]=4 194 B11R1.166 c1cc(c(cc1F)O)C(=O)O LS11396 [0,1,0,0,0,0|1,0,0]=2 195 B11R1.166 c1cc(c(cc1N)Br)[N+](=O)[O-] LS10292 [0,1,0,0,0,0|3,0,0]=4 196 B11R1.166 c1cc(c(cc1N)Cl)C(=O)O LS10725 [0,1,0,0,0,0|2,0,0]=3 197 B11R1.166 c1cc(c(cc1N)F)[N+](=O)[O-] LS10280 [0,1,0,0,0,0|3,0,0]=4 198 B11R1.166 c1cc(c(cc1O)Cl)C(=O)O LS11739 [0,1,0,0,0,0|2,0,0]=3 199 B11R1.166 c1cc(c(cc1O)F)[N+](=O)[O-] LS00120 [0,1,0,0,0,0|3,0,0]=4 200 B11R1.166 c1cc(c(cc1O)I)[N+](=O)[O-] LS10155 [0,1,0,0,0,0|3,0,0]=4 201 B11R1.166 c1cc(c(cc1O)O)C(=O)N LS10714 [0,1,0,0,0,0|1,0,0]=2 202 B11R1.166 c1cc(nc(c1C(=O)O)Cl)Cl LS20515 [0,1,0,0,0,0|3,0,0]=4 203 B11R1.166 c1cc(nc(c1[N+](=O)[O-])O)Cl LS20717 [0,1,0,0,0,0|3,0,0]=4 204 B11R1.277 Cc1cc(c(cc1Br)F)C=O LS10510 [0,1,0,0,0,0|2,0,0]=3 205 B11R1.277 Cc1cc(c(cc1F)Br)C=O LS10656 [0,1,0,0,0,0|2,0,0]=3 206 B11R1.277 Cc1cc(c(cc1O)C)C=O LS10195 [0,1,0,0,0,0|2,0,0]=3 207 B11R1.277 c1c(c(cc(c1F)Cl)Cl)C=O LS10389 [0,1,0,0,0,0|2,0,0]=3 208 B11R1.277 c1c(c(cc(c1F)F)F)C=O LS10496 [0,1,0,0,0,0|2,0,0]=3 209 B11R1.277 c1c(c(cc(c1F)F)O)C=O LS10186 [0,1,0,0,0,0|1,0,0]=2 210 B11R1.278 c1cc(c(c(c1C=O)F)F)Br LS10035 [0,1,0,0,0,0|2,0,0]=3 211 B11R1.279 COc1ccc(c(c1)F)C=O LS10504 [0,1,0,0,0,0|1,0,0]=2 212 B11R1.279 COc1ccc(c(c1)F)C=O LS11583 [0,1,0,0,0,0|1,0,0]=2 213 B11R1.279 COc1ccc(c(c1)F)NN LS10185 [0,1,0,0,0,0|3,0,0]=4 214 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [0,1,0,0,0,0|3,0,0]=4 215 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [0,1,0,0,0,0|3,0,0]=4 216 B11R1.279 COc1ccc(cc1O)C#N LS11706 [0,1,0,0,0,0|2,0,1]=4 217 B11R1.279 COc1ccc(cc1O)C=O LS10550 [0,1,0,0,0,0|2,0,1]=4 218 B11R1.279 c1cc(c(cc1C#N)O)C=O LS10079 [0,1,0,0,0,0|0,0,1]=2 219 B11R1.464 Cc1cc(c(c(c1)C)C=O)C LS10375 [0,1,0,0,0,0|1,0,0]=2 220 B11R1.464 Cc1cc(cc(c1C=O)Br)F LS10511 [0,1,0,0,0,0|2,0,0]=3 221 B11R1.464 Cc1cc(cc(c1C=O)C)O LS10368 [0,1,0,0,0,0|2,0,0]=3 222 B11R1.464 c1c(cc(c(c1F)C=O)F)Br LS10022 [0,1,0,0,0,0|2,0,0]=3 223 B11R1.464 c1c(cc(c(c1O)C=O)F)F LS10076 [0,1,0,0,0,0|1,0,0]=2 224 B11R2.36 Cc1ccc2c(c1)cn[nH]2 LS20968 [0,0,0,1,0,0|3,0,0]=4 225 B11R2.36 c1cc(cc2c1cc[nH]2)Br LS20434 [0,0,0,1,0,0|3,0,0]=4 226 B11R2.36 c1cc(cc2c1cc[nH]2)Cl LS20474 [0,0,0,1,0,0|3,0,0]=4 227 B11R2.36 c1cc(cc2c1cc[nH]2)O LS20137 [0,0,0,1,0,0|3,0,0]=4 228 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,0,0,1,0,0|2,1,0]=4 229 B11R2.36 c1cc2cn[nH]c2cc1I LS21119 [0,0,0,1,0,0|3,0,0]=4 230 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 231 B8R1.2 c1cc(cnc1)C=O LS20485 [2,0,0,0,0,0|1,0,0]=3 232 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|0,0,0]=2 233 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|0,0,2]=4 234 B8R1.2 c1cnccc1C=O LS20943 [2,0,0,0,0,0|1,0,0]=3 235 B8R1.3 C1=CC(=O)C=CC1=O LS41078 [2,0,0,0,0,0|1,0,0]=3 236 B8R1.3 Cc1ccc(cc1)Cl LS11416 [2,0,0,0,0,0|1,0,0]=3 237 B8R1.3 Cc1ccc(cn1)Br LS20399 [2,0,0,0,0,0|2,0,0]=4 238 B8R1.3 Cc1ccc(nc1)Br LS20538 [2,0,0,0,0,0|2,0,0]=4 239 B8R1.3 Cc1ccc(nc1)Cl LS20543 [2,0,0,0,0,0|2,0,0]=4 240 B8R1.3 c1cc(=O)[nH]cc1Br LS21018 [2,0,0,0,0,0|2,0,0]=4 241 B8R1.3 c1cc(ccc1Br)I LS11203 [2,0,0,0,0,0|2,0,0]=4 242 B8R1.3 c1cc(ccc1F)F LS11211 [2,0,0,0,0,0|2,0,0]=4 243 B8R1.3 c1cc(ccc1N)Br LS11446 [2,0,0,0,0,0|2,0,0]=4 244 B8R1.3 c1cc(ccc1N)I LS11481 [2,0,0,0,0,0|2,0,0]=4 245 B8R1.3 c1cc(ccc1O)Br LS11445 [2,0,0,0,0,0|1,0,1]=4 246 B8R1.3 c1cc(ccc1O)F LS10647 [2,0,0,0,0,0|1,0,1]=4 247 B8R1.3 c1cc(ccc1O)I LS10366 [2,0,0,0,0,0|1,0,1]=4 248 B8R1.5 Cc1c(cccn1)O LS20321 [2,0,0,0,0,0|1,0,1]=4 249 B8R1.5 Cc1ccccc1Cl LS11417 [2,0,0,0,0,0|1,0,1]=4 250 B8R1.5 Cc1cccnc1O LS20286 [2,0,0,0,0,0|1,0,1]=4 251 B8R1.5 Cn1ccccc1=O LS40391 [2,0,0,0,0,0|2,0,0]=4 252 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [2,0,0,0,0,0|2,0,0]=4 253 B8R1.5 c1ccc(c(c1)Br)I LS10473 [2,0,0,0,0,0|2,0,0]=4 254 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [2,0,0,0,0,0|2,0,0]=4 255 B8R1.5 c1ccc(c(c1)N)Br LS11448 [2,0,0,0,0,0|2,0,0]=4 256 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [2,0,0,0,0,0|2,0,0]=4 257 B8R1.5 c1ccc(c(c1)N)I LS10537 [2,0,0,0,0,0|2,0,0]=4 258 B8R1.5 c1ccc(c(c1)O)Br LS11447 [2,0,0,0,0,0|1,0,0]=3 259 B8R1.5 c1ccc(c(c1)O)F LS10471 [2,0,0,0,0,0|1,0,0]=3 260 B8R1.5 c1ccc(c(c1)O)I LS00004 [2,0,0,0,0,0|1,0,0]=3 261 B8R1.5 c1ccn(c(=O)c1)O LS21131 [2,0,0,0,0,0|1,0,0]=3 262 B8R1.4 Cc1cc(cnc1)Br LS20401 [2,0,0,0,0,0|2,0,0]=4 263 B8R1.4 Cc1cc(cnc1)C LS41253 [2,0,0,0,0,0|2,0,0]=4 264 B8R1.4 Cc1cccc(n1)Br LS20561 [2,0,0,0,0,0|2,0,0]=4 265 B8R1.4 Cc1cccc(n1)Cl LS20527 [2,0,0,0,0,0|2,0,0]=4 266 B8R1.4 Cc1ccnc(c1)Br LS20539 [2,0,0,0,0,0|2,0,0]=4 267 B8R1.4 Cc1ccnc(c1)Cl LS20535 [2,0,0,0,0,0|2,0,0]=4 268 B8R1.4 Cc1ccnc(c1)F LS20532 [2,0,0,0,0,0|2,0,0]=4 269 B8R1.4 Cc1ccnc(n1)O LS20077 [2,0,0,0,0,0|2,0,0]=4 270 B8R1.4 c1c(cncc1F)O LS20013 [2,0,0,0,0,0|2,0,0]=4 271 B8R1.4 c1cc(cc(c1)Br)N LS10546 [2,0,0,0,0,0|2,0,0]=4 272 B8R1.4 c1cc(cc(c1)F)F LS10472 [2,0,0,0,0,0|2,0,0]=4 273 B8R1.4 c1cc(cc(c1)F)O LS11397 [2,0,0,0,0,0|1,0,0]=3 274 B8R1.4 c1cc(cc(c1)I)Br LS11202 [2,0,0,0,0,0|2,0,0]=4 275 B8R1.4 c1cc(cc(c1)I)N LS10554 [2,0,0,0,0,0|2,0,0]=4 276 B8R1.4 c1cc(cc(c1)S)O LS11830 [2,0,0,0,0,0|1,0,0]=3 277 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [2,0,0,0,0,0|2,0,0]=4 278 B8R1.4 c1cnc(cc1Br)O LS20336 [2,0,0,0,0,0|2,0,0]=4 279 B8R1.4 c1cnc(cc1O)Cl LS20425 [2,0,0,0,0,0|2,0,0]=4 280 B8R1.4 c1cnc(cc1O)N LS20319 [2,0,0,0,0,0|2,0,0]=4 281 B10R1.1 Cc1ccc(cc1)CCN LS11229 [1,1,0,0,0,0|1,0,1]=4 282 B10R1.1 Cc1ccc(cc1)CCO LS11239 [1,1,0,0,0,0|0,0,2]=4 283 B10R1.3 c1cc(ccc1CCl)C#N LS11851 [1,1,0,0,0,0|1,0,1]=4 284 B10R1.3 c1cc(ccc1CCl)CCl LS11854 [1,1,0,0,0,0|1,0,1]=4 285 B10R1.13 B(c1ccc(cc1)C)(O)O LS00088 [1,1,0,0,0,0|1,0,1]=4 286 B10R1.13 CC(=O)c1ccc(cc1)Br LS11874 [1,1,0,0,0,0|1,0,0]=3 287 B10R1.13 CC(=O)c1ccc(cc1)F LS11575 [1,1,0,0,0,0|1,0,0]=3 288 B10R1.13 CC(=O)c1ccc(cc1)N LS10360 [1,1,0,0,0,0|1,0,0]=3 289 B10R1.13 CC(=O)c1ccc(cc1)O LS10359 [1,1,0,0,0,0|1,0,0]=3 290 B10R1.13 CC(=O)c1ccc(cn1)Br LS20859 [1,1,0,0,0,0|2,0,0]=4 291 B10R1.13 CC(=O)c1ccc(nc1)Br LS21178 [1,1,0,0,0,0|2,0,0]=4 292 B10R1.13 Cc1ccc(cn1)C(=O)O LS20541 [1,1,0,0,0,0|1,0,0]=3 293 B10R1.13 Cc1ncc(cn1)C(=O)C LS20101 [1,1,0,0,0,0|2,0,0]=4 294 B10R1.13 Cc1ncc(cn1)C(=O)O LS20220 [1,1,0,0,0,0|2,0,0]=4 295 B10R1.13 c1cc(ccc1C(=N)N)Br LS00131 [1,1,0,0,0,0|2,0,0]=4 296 B10R1.13 c1cc(ccc1C(=O)Cl)N LS11728 [1,1,0,0,0,0|1,0,0]=3 297 B10R1.13 c1cc(ccc1C(=O)O)Cl LS10674 [1,1,0,0,0,0|1,0,0]=3 298 B10R1.13 c1cc(ccc1N)[N+](=O)[O-] LS10622 [1,1,0,0,0,0|2,0,0]=4 299 B10R1.13 c1cc(ccc1[N+](=O)[O-])Cl LS10621 [1,1,0,0,0,0|2,0,0]=4 300 B10R1.13 c1cc(ncc1Br)C(=O)O LS20244 [1,1,0,0,0,0|2,0,0]=4 301 B10R1.13 c1cc(ncc1C(=O)O)Cl LS20664 [1,1,0,0,0,0|2,0,0]=4 302 B10R1.13 c1cc(ncc1C(=O)O)N LS20730 [1,1,0,0,0,0|2,0,0]=4 303 B10R1.13 c1cc(ncc1F)C(=O)O LS20092 [1,1,0,0,0,0|2,0,0]=4 304 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [1,1,0,0,0,0|0,0,0]=2 305 B10R1.176 Cc1ccc(cc1F)C#N LS10444 [1,1,0,0,0,0|1,0,1]=4 306 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [1,1,0,0,0,0|1,0,0]=3 307 B10R1.176 c1cc(c(cc1C=O)Cl)F LS10516 [1,1,0,0,0,0|1,0,0]=3 308 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [1,1,0,0,0,0|1,0,0]=3 309 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [1,1,0,0,0,0|1,0,0]=3 310 B10R1.176 c1cc(c(cc1C=O)I)F LS10241 [1,1,0,0,0,0|1,0,0]=3 311 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [1,1,0,0,0,0|1,0,0]=3 312 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [1,1,0,0,0,0|1,0,0]=3 313 B10R1.2 Cc1c(cccc1F)C=O LS10501 [1,1,0,0,0,0|1,0,0]=3 314 B10R1.2 Cc1cccc(c1F)C=O LS10502 [1,1,0,0,0,0|1,0,0]=3 315 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [1,1,0,0,0,0|1,0,0]=3 316 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [1,1,0,0,0,0|1,0,0]=3 317 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [1,1,0,0,0,0|0,0,0]=2 318 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [1,1,0,0,0,0|1,0,0]=3 319 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [1,1,0,0,0,0|1,0,0]=3 320 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [1,1,0,0,0,0|1,0,0]=3 321 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [1,1,0,0,0,0|1,0,0]=3 322 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [1,1,0,0,0,0|0,0,0]=2 323 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [1,1,0,0,0,0|0,0,0]=2 324 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|1,0,0]=3 325 B10R1.20 CCc1ccccc1C=O LS00084 [1,1,0,0,0,0|1,0,0]=3 326 B10R1.20 COc1c(cccn1)C=O LS21173 [1,1,0,0,0,0|1,0,0]=3 327 B10R1.20 COc1ccccc1CCl LS10029 [1,1,0,0,0,0|1,0,1]=4 328 B10R1.20 COc1ccccc1OC LS11385 [1,1,0,0,0,0|2,0,0]=4 329 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [1,1,0,0,0,0|0,0,1]=3 330 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,1,0,0,0,0|1,0,0]=3 331 B10R1.30 c1c(cnc(c1C=O)F)Br LS20854 [1,1,0,0,0,0|2,0,0]=4 332 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [1,1,0,0,0,0|1,0,0]=3 333 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [1,1,0,0,0,0|0,0,0]=2 334 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [1,1,0,0,0,0|1,0,0]=3 335 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [1,1,0,0,0,0|0,0,0]=2 336 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [1,1,0,0,0,0|1,0,0]=3 337 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,1,0,0,0,0|0,0,0]=2 338 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [1,1,0,0,0,0|0,0,0]=2 339 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [1,1,0,0,0,0|1,0,0]=3 340 B10R1.61 B(c1ccccc1O)(O)O LS10799 [1,1,0,0,0,0|1,0,1]=4 341 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|1,0,0]=3 342 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|0,0,0]=2 343 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [1,1,0,0,0,0|2,0,0]=4 344 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [1,1,0,0,0,0|2,0,0]=4 345 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [1,1,0,0,0,0|2,0,0]=4 346 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,1,0,0,0,0|1,0,0]=3 347 B10R1.61 Cc1cccnc1C(=O)O LS20983 [1,1,0,0,0,0|2,0,0]=4 348 B10R1.61 c1cc(c(nc1)Br)C(=O)O LS20396 [1,1,0,0,0,0|2,0,0]=4 349 B10R1.61 c1cc(c(nc1)C(=O)O)F LS20394 [1,1,0,0,0,0|2,0,0]=4 350 B10R1.61 c1cc(c(nc1)C(=O)O)N LS00020 [1,1,0,0,0,0|2,0,0]=4 351 B10R1.61 c1cc(c(nc1)Cl)C(=O)O LS20665 [1,1,0,0,0,0|2,0,0]=4 352 B10R1.61 c1cc(c(nc1)N)C(=O)O LS20530 [1,1,0,0,0,0|2,0,0]=4 353 B10R1.61 c1cc(c(nc1)O)C(=O)O LS20423 [1,1,0,0,0,0|1,0,0]=3 354 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [1,1,0,0,0,0|1,1,0]=4 355 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])O LS20836 [1,1,0,0,0,0|2,0,0]=4 356 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [1,1,0,0,0,0|1,0,0]=3 357 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [1,1,0,0,0,0|1,0,0]=3 358 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [1,1,0,0,0,0|1,0,0]=3 359 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [1,1,0,0,0,0|1,0,0]=3 360 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [1,1,0,0,0,0|2,0,0]=4 361 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [1,1,0,0,0,0|2,0,0]=4 362 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [1,1,0,0,0,0|2,0,0]=4 363 B10R1.61 c1cnc(c(n1)C(=O)O)O LS20287 [1,1,0,0,0,0|2,0,0]=4 364 B10R1.61 c1cncc(c1C(=O)O)Br LS20726 [1,1,0,0,0,0|2,0,0]=4 365 B10R1.61 c1cncc(c1C(=O)O)F LS20409 [1,1,0,0,0,0|2,0,0]=4 366 B10R1.61 c1cncc(c1C(=O)O)N LS20439 [1,1,0,0,0,0|2,0,0]=4 367 B10R1.61 c1cncc(c1C(=O)O)O LS20035 [1,1,0,0,0,0|1,0,0]=3 368 B10R1.61 c1cncc(c1Cl)C(=O)O LS20834 [1,1,0,0,0,0|2,0,0]=4 369 B10R1.245 c1c(c(c(cn1)Br)C=O)Br LS21174 [1,1,0,0,0,0|2,0,0]=4 370 B10R1.245 c1cc(c(c(c1)Br)C=O)F LS11299 [1,1,0,0,0,0|1,0,0]=3 371 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [1,1,0,0,0,0|0,0,0]=2 372 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [1,1,0,0,0,0|1,0,0]=3 373 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [1,1,0,0,0,0|0,0,0]=2 374 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [1,1,0,0,0,0|0,0,0]=2 375 B10R1.245 c1cnc(c(c1Cl)C=O)Cl LS21171 [1,1,0,0,0,0|2,0,0]=4 376 B10R1.22 c1c(cc(c(c1O)O)F)Cl LS10081 [1,1,0,0,0,0|1,0,1]=4 377 B10R1.118 Cc1cc(c(cc1Br)C)Cl LS10616 [1,1,0,0,0,0|1,0,1]=4 378 B10R1.118 Cc1cc(c(cc1Br)F)N LS10414 [1,1,0,0,0,0|2,0,0]=4 379 B10R1.118 Cc1cc(c(cc1Cl)F)N LS10381 [1,1,0,0,0,0|2,0,0]=4 380 B10R1.118 Cc1cc(c(cc1O)N)Cl LS11398 [1,1,0,0,0,0|1,0,1]=4 381 B10R1.118 c1c(c(cc(c1N)O)O)N LS40770 [1,1,0,0,0,0|2,0,0]=4 382 B10R1.119 Cc1ccc(c(c1O)Cl)N LS10462 [1,1,0,0,0,0|1,0,1]=4 383 B12R1.46 c1cc(c(cc1Br)[N+](=O)[O-])C=O LS10308 [0,2,0,0,0,0|1,0,1]=4 384 B12R1.46 c1cc(c(cc1Br)[N+](=O)[O-])C=O LS11386 [0,2,0,0,0,0|1,0,1]=4 385 B12R1.46 c1cc(c(cc1F)[N+](=O)[O-])C=O LS10117 [0,2,0,0,0,0|1,0,1]=4 386 B12R1.57 COc1cc(ccc1C(=O)O)F LS10248 [0,2,0,0,0,0|1,0,0]=3 387 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F LS10561 [0,2,0,0,0,0|2,0,0]=4 388 B12R1.57 c1cc(c(cc1Cl)CO)[N+](=O)[O-] LS10111 [0,2,0,0,0,0|2,0,0]=4 389 B12R1.78 COc1ccc(cc1OC)CO LS10643 [0,2,0,0,0,0|2,0,0]=4 390 B12R1.233 c1cc(c(cc1Br)F)CC(=O)O LS11529 [0,2,0,0,0,0|2,0,0]=4 391 B12R1.1703 COC(=O)c1ccc(cc1F)Br LS11210 [0,2,0,0,0,0|2,0,0]=4 392 B12R1.1703 COC(=O)c1ccc(cc1F)F LS11835 [0,2,0,0,0,0|2,0,0]=4 393 B12R1.1703 COC(=O)c1ccc(cc1O)O LS10726 [0,2,0,0,0,0|1,0,0]=3 394 B12R1.126 Cc1ccc(c(c1)F)S(=O)(=O)Cl LS11377 [0,2,0,0,0,0|2,0,0]=4 395 B12R1.232 Cc1cc(c(cc1Br)F)C(=O)O LS10525 [0,2,0,0,0,0|2,0,0]=4 396 B12R1.232 Cc1cc(c(cc1F)Br)C(=O)O LS10528 [0,2,0,0,0,0|2,0,0]=4 397 B12R1.232 Cc1cc(c(cc1F)C(=O)O)Br LS10526 [0,2,0,0,0,0|1,0,0]=3 398 B12R1.232 Cc1cc(c(cc1F)F)C(=O)O LS10201 [0,2,0,0,0,0|2,0,0]=4 399 B12R1.232 c1c(c(cc(c1Br)Cl)F)C(=O)O LS11501 [0,2,0,0,0,0|2,0,0]=4 400 B12R1.232 c1c(c(cc(c1Br)O)O)C(=O)O LS10163 [0,2,0,0,0,0|1,0,0]=3 401 B12R1.232 c1c(c(cc(c1Cl)Cl)N)C(=O)O LS10030 [0,2,0,0,0,0|2,0,0]=4 402 B12R1.232 c1c(c(cc(c1F)Br)Cl)C(=O)O LS10529 [0,2,0,0,0,0|2,0,0]=4 403 B12R1.232 c1c(c(cc(c1F)Cl)Cl)C(=O)O LS10531 [0,2,0,0,0,0|2,0,0]=4 404 B12R1.232 c1c(c(cc(c1F)F)F)C(=O)O LS11174 [0,2,0,0,0,0|2,0,0]=4 405 B12R1.452 CC(=O)c1ccc(cc1F)OC LS11613 [0,2,0,0,0,0|1,0,0]=3 406 B12R1.452 COc1ccc(c(c1)Cl)C(=O)O LS11741 [0,2,0,0,0,0|1,0,0]=3 407 B12R1.452 COc1ccc(c(c1)F)[N+](=O)[O-] LS10312 [0,2,0,0,0,0|2,0,0]=4 408 B12R1.452 COc1ccc(c(c1)N)C(=O)O LS10553 [0,2,0,0,0,0|1,0,0]=3 409 B12R1.452 c1cc(c(cc1C#N)F)C(=O)O LS11606 [0,2,0,0,0,0|1,0,1]=4 410 B12R1.893 c1cc(c(c(c1C(=O)O)Br)F)F LS10246 [0,2,0,0,0,0|2,0,0]=4 411 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)Br LS10244 [0,2,0,0,0,0|2,0,0]=4 412 B12R1.893 c1cc(c(c(c1C(=O)O)F)F)F LS11172 [0,2,0,0,0,0|2,0,0]=4 413 B12R1.893 c1cc(c(c(c1C(=O)O)F)O)F LS10250 [0,2,0,0,0,0|2,0,0]=4 414 B12R1.893 c1cc(c(c(c1C(=O)[O-])F)F)F LS11173 [0,2,0,0,0,0|2,0,0]=4 415 B12R1.1000 CC(=O)c1c(cc(cc1F)Br)F LS11309 [0,2,0,0,0,0|2,0,0]=4 416 B12R1.1000 Cc1cc(cc(c1C(=O)O)Br)F LS10527 [0,2,0,0,0,0|2,0,0]=4 417 B12R1.1000 c1c(cc(c(c1Cl)C(=O)Cl)Cl)Cl LS10131 [0,2,0,0,0,0|2,0,0]=4 418 B12R1.1000 c1c(cc(c(c1F)C(=O)O)Cl)Cl LS10075 [0,2,0,0,0,0|2,0,0]=4 419 B12R1.1000 c1c(cc(c(c1F)C(=O)O)F)Br LS10464 [0,2,0,0,0,0|2,0,0]=4 420 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O LS11467 [0,2,0,0,0,0|1,0,0]=3 421 B12R1.1000 c1c(cc(c(c1O)C(=O)O)O)O LS11468 [0,2,0,0,0,0|1,0,0]=3 422 B12R1.1000 c1c(cc(c(c1O)[N+](=O)[O-])F)F LS10677 [0,2,0,0,0,0|2,0,0]=4 423 B12R1.98 c1c(c(c(c(c1Br)F)F)C=O)F LS10033 [0,2,0,0,0,0|2,0,0]=4 424 B12R1.450 c1c(c(cc(c1O)C=O)O)C=O LS11381 [0,2,0,0,0,0|0,0,1]=3 425 B12R1.48 B(c1ccc(c(c1)F)C=O)(O)O LS11012 [0,2,0,0,0,0|2,0,0]=4 426 B12R1.288 CCOc1ccc(c(c1)O)C=O LS10684 [0,2,0,0,0,0|0,0,0]=2 427 B12R1.288 COc1ccc(cc1O)CCN LS10775 [0,2,0,0,0,0|2,0,0]=4 428 B12R1.301 c1c(cc(c(c1Cl)C=O)Cl)C#N LS10103 [0,2,0,0,0,0|1,0,1]=4 429 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|2,0,0]=4 430 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|2,0,0]=4 431 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [1,0,0,1,0,0|1,1,0]=4 432 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [1,0,0,1,0,0|2,0,0]=4 433 B12R2.24 Cc1ccc2c(c1)nccn2 LS20082 [0,1,0,1,0,0|2,0,0]=4 434 B12R2.612 c1cc2c(cc1Br)COC2=O LS40024 [0,1,0,1,0,0|1,0,0]=3 435 B12R2.612 c1cc2c(cc1Cl)CCC2=O LS00023 [0,1,0,1,0,0|2,0,0]=4 436 B12R2.612 c1cc2c(cc1Cl)onc2O LS40223 [0,1,0,1,0,0|1,0,1]=4 437 B12R2.612 c1cc2c(cc1F)CCC2=O LS20516 [0,1,0,1,0,0|2,0,0]=4 438 B12R2.612 c1cc2c(cc1O)CCC2=O LS40251 [0,1,0,1,0,0|2,0,0]=4 439 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,1,0,1,0,0|1,0,0]=3 440 B12R2.606 c1cc2c(cc1Br)NC(=O)C2 LS40256 [0,1,0,1,0,0|2,0,0]=4 441 B12R2.606 c1cc2c(cc1F)CC(=O)N2 LS20430 [0,1,0,1,0,0|2,0,0]=4 442 B12R2.606 c1cc2c(cc1F)NC(=O)C2 LS21155 [0,1,0,1,0,0|2,0,0]=4 443 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [0,1,0,1,0,0|2,0,0]=4 444 B12R2.44 c1cc2c(cc1CN)OCO2 LS40613 [0,1,0,1,0,0|2,0,0]=4 445 B8R1.1 Cc1ccc(s1)C=O LS20392 [1,0,0,0,1,0|1,0,0]=3 446 B8R1.1 c1c(coc1C=O)Br LS20868 [1,0,0,0,1,0|2,0,0]=4 447 B8R1.1 c1c(csc1C=O)Br LS20660 [1,0,0,0,1,0|2,0,0]=4 448 B8R1.11 Cc1ccsc1C=O LS20658 [1,0,0,0,1,0|2,0,0]=4