0 B11R1.280 CCc1cc(ccc1N)C#N LS10564 [0,0,0,0,0,0|3,0,1]=4 1 B11R1.280 COc1cc(ccc1F)C=O LS10503 [0,0,0,0,0,0|1,0,2]=3 2 B11R1.280 COc1cc(ccc1O)C#N LS11702 [0,0,0,0,0,0|1,0,1]=2 3 B11R1.280 COc1cc(ccc1O)CN LS11401 [0,0,0,0,0,0|1,0,0]=1 4 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [1,0,0,0,0,0|2,0,0]=3 5 B10R1.30 COc1cc(ccc1Br)Br LS10232 [1,0,0,0,0,0|2,0,0]=3 6 B10R1.30 COc1cc(ccc1Cl)I LS10238 [1,0,0,0,0,0|2,0,0]=3 7 B10R1.30 COc1cc(ccc1F)F LS11368 [1,0,0,0,0,0|2,0,0]=3 8 B10R1.30 COc1cc(ccc1F)N LS10127 [1,0,0,0,0,0|2,0,0]=3 9 B10R1.30 COc1cc(ccc1F)O LS10037 [1,0,0,0,0,0|1,0,0]=2 10 B10R1.30 COc1cc(ccc1I)Cl LS10237 [1,0,0,0,0,0|2,0,0]=3 11 B10R1.30 COc1cc(ccc1N)Br LS10476 [1,0,0,0,0,0|2,0,0]=3 12 B10R1.30 COc1cc(ccc1N)I LS10552 [1,0,0,0,0,0|2,0,0]=3 13 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [1,0,0,0,0,0|3,0,0]=4 14 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,0,0,0,0,0|3,0,0]=4 15 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [1,0,0,0,0,0|3,0,0]=4 16 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [1,0,0,0,0,0|1,0,0]=2 17 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [1,0,0,0,0,0|2,0,0]=3 18 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [1,0,0,0,0,0|3,0,0]=4 19 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [1,0,0,0,0,0|3,0,0]=4 20 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,0,0,0,0,0|3,0,0]=4 21 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [1,0,0,0,0,0|3,0,0]=4 22 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [1,0,0,0,0,0|3,0,0]=4 23 B10R1.172 CCc1cccc(c1)C=O LS10374 [1,0,0,0,0,0|1,0,2]=4 24 B10R1.172 CCc1cccc(n1)CC LS21232 [1,0,0,0,0,0|3,0,0]=4 25 B10R1.172 c1cc(cc(c1)C#N)CCl LS11850 [1,0,0,0,0,0|3,0,0]=4 26 B10R1.172 c1cc(cc(c1)CCl)CCl LS10008 [1,0,0,0,0,0|3,0,0]=4 27 B10R1.172 c1cc(cc(c1)CO)CO LS11278 [1,0,0,0,0,0|2,0,0]=3 28 B10R1.172 c1cc(nc(c1)CO)CO LS20526 [1,0,0,0,0,0|3,0,0]=4 29 B10R1.176 Cc1cc(ccc1Br)C#N LS00135 [1,0,0,0,0,0|2,0,1]=4 30 B10R1.176 Cc1cc(ccc1Cl)C#N LS10009 [1,0,0,0,0,0|2,0,1]=4 31 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [1,0,0,0,0,0|1,0,2]=4 32 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [1,0,0,0,0,0|1,0,1]=3 33 B10R1.176 c1cc(c(cc1C=O)Br)O LS10334 [1,0,0,0,0,0|1,0,2]=4 34 B10R1.176 c1cc(c(cc1C=O)Cl)O LS11734 [1,0,0,0,0,0|1,0,2]=4 35 B10R1.176 c1cc(c(cc1C=O)F)O LS10506 [1,0,0,0,0,0|1,0,2]=4 36 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [1,0,0,0,0,0|1,0,2]=4 37 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [1,0,0,0,0,0|0,0,2]=3 38 B10R1.176 c1cc(c(cc1CN)Cl)Cl LS11225 [1,0,0,0,0,0|3,0,0]=4 39 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O LS11021 [0,1,0,0,0,0|2,0,0]=3 40 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O LS11040 [0,1,0,0,0,0|2,0,0]=3 41 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] LS00026 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] LS10410 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.56 COc1cc(ccc1N)C(=O)O LS11388 [0,1,0,0,0,0|1,0,1]=3 44 B12R1.78 COc1ccc(cc1OC)CO LS10643 [0,1,0,0,0,0|0,0,0]=1 45 B12R1.300 COc1cc(c(c(c1)F)Br)OC LS10373 [0,1,0,0,0,0|3,0,0]=4 46 B12R2.44 c1cc2c(cc1C#N)OCO2 LS40634 [0,0,0,1,0,0|1,0,1]=3 47 B12R2.44 c1cc2c(cc1CN)OCO2 LS40613 [0,0,0,1,0,0|1,0,0]=2 48 B9R1.2 CNc1cccc(c1)Cl LS10187 [2,0,0,0,0,0|2,0,0]=4 49 B9R1.2 COc1cc(ccn1)Br LS21151 [2,0,0,0,0,0|2,0,0]=4 50 B9R1.2 COc1cc(ccn1)Cl LS20320 [2,0,0,0,0,0|2,0,0]=4 51 B9R1.2 COc1cc(ccn1)N LS20329 [2,0,0,0,0,0|2,0,0]=4 52 B9R1.2 COc1cccc(n1)Cl LS20709 [2,0,0,0,0,0|2,0,0]=4 53 B9R1.2 COc1cccc(n1)N LS20232 [2,0,0,0,0,0|2,0,0]=4 54 B9R1.2 Cc1cccc(c1)C=O LS11853 [2,0,0,0,0,0|0,0,2]=4 55 B9R1.2 Cc1cccc(c1)CBr LS11263 [2,0,0,0,0,0|1,0,0]=3 56 B9R1.2 Cc1cccc(c1)CCl LS11215 [2,0,0,0,0,0|1,0,0]=3 57 B9R1.2 Cc1cccc(c1)CN LS11219 [2,0,0,0,0,0|1,0,0]=3 58 B9R1.2 Cc1cccc(n1)CO LS20207 [2,0,0,0,0,0|1,0,0]=3 59 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [2,0,0,0,0,0|2,0,0]=4 60 B9R1.2 c1cc(cc(c1)F)CO LS11387 [2,0,0,0,0,0|1,0,0]=3 61 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [2,0,0,0,0,0|2,0,0]=4 62 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [2,0,0,0,0,0|0,0,2]=4 63 B9R1.2 c1cnc(cc1CO)N LS21015 [2,0,0,0,0,0|2,0,0]=4 64 B9R1.15 CNc1ccccc1Br LS11478 [2,0,0,0,0,0|2,0,0]=4 65 B9R1.15 CNc1ccccc1F LS10646 [2,0,0,0,0,0|2,0,0]=4 66 B9R1.15 COc1c(cccn1)I LS20331 [2,0,0,0,0,0|2,0,0]=4 67 B9R1.15 COc1cccnc1Br LS20368 [2,0,0,0,0,0|2,0,0]=4 68 B9R1.15 CSc1ccccc1Br LS11369 [2,0,0,0,0,0|1,1,0]=4 69 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [2,0,0,0,0,0|2,0,0]=4 70 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [2,0,0,0,0,0|2,0,0]=4 71 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [2,0,0,0,0,0|2,0,0]=4 72 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [2,0,0,0,0,0|2,0,0]=4 73 B9R1.69 Cc1cc(ccc1Br)F LS10433 [2,0,0,0,0,0|2,0,0]=4 74 B9R1.69 Cc1cc(ccc1Br)O LS10569 [2,0,0,0,0,0|1,0,0]=3 75 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [2,0,0,0,0,0|2,0,0]=4 76 B9R1.69 Cc1cc(ccc1F)N LS10454 [2,0,0,0,0,0|2,0,0]=4 77 B9R1.69 Cc1cc(ccc1O)Br LS10229 [2,0,0,0,0,0|1,0,0]=3 78 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [2,0,0,0,0,0|1,0,0]=3 79 B9R1.69 Cc1cc(cnc1F)O LS20344 [2,0,0,0,0,0|2,0,0]=4 80 B9R1.69 Cc1cc(cnc1O)Br LS20335 [2,0,0,0,0,0|2,0,0]=4 81 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [2,0,0,0,0,0|2,0,0]=4 82 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [2,0,0,0,0,0|1,0,0]=3 83 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [2,0,0,0,0,0|2,0,0]=4 84 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [2,0,0,0,0,0|2,0,0]=4 85 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [2,0,0,0,0,0|2,0,0]=4 86 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [2,0,0,0,0,0|2,0,0]=4 87 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [2,0,0,0,0,0|2,0,0]=4 88 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [2,0,0,0,0,0|1,0,0]=3 89 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [2,0,0,0,0,0|2,0,0]=4 90 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [2,0,0,0,0,0|2,0,0]=4 91 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [2,0,0,0,0,0|2,0,0]=4 92 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [2,0,0,0,0,0|2,0,0]=4 93 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [2,0,0,0,0,0|2,0,0]=4 94 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [2,0,0,0,0,0|2,0,0]=4 95 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [2,0,0,0,0,0|2,0,0]=4 96 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [2,0,0,0,0,0|2,0,0]=4 97 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [2,0,0,0,0,0|2,0,0]=4 98 B9R1.69 c1cc(c(cc1F)N)O LS10399 [2,0,0,0,0,0|2,0,0]=4 99 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [2,0,0,0,0,0|2,0,0]=4 100 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [2,0,0,0,0,0|2,0,0]=4 101 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [2,0,0,0,0,0|2,0,0]=4 103 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [2,0,0,0,0,0|2,0,0]=4 104 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [2,0,0,0,0,0|1,0,0]=3 105 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [2,0,0,0,0,0|2,0,0]=4 106 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [2,0,0,0,0,0|2,0,0]=4 107 B9R1.69 c1cc(c(cc1O)F)N LS00146 [2,0,0,0,0,0|2,0,0]=4 108 B9R1.69 c1cc(c(cc1O)F)O LS00052 [2,0,0,0,0,0|1,0,0]=3 109 B9R1.69 c1cc(c(cc1O)N)F LS10007 [2,0,0,0,0,0|2,0,0]=4 110 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [2,0,0,0,0,0|1,0,0]=3 111 B9R1.1 CCc1ccc(cc1)F LS11765 [2,0,0,0,0,0|2,0,0]=4 112 B9R1.1 COc1ccc(cc1)O LS10474 [2,0,0,0,0,0|2,0,0]=4 113 B9R1.1 Cc1ccc(cc1)CBr LS11264 [2,0,0,0,0,0|2,0,0]=4 114 B9R1.1 Cc1ccc(cc1)CN LS11220 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.1 Cc1ccc(cc1)CO LS11273 [2,0,0,0,0,0|1,0,0]=3 116 B9R1.1 c1cc(ccc1CBr)Br LS11427 [2,0,0,0,0,0|2,0,0]=4 117 B9R1.1 c1cc(ccc1CBr)F LS10228 [2,0,0,0,0,0|2,0,0]=4 118 B9R1.1 c1cc(ccc1CBr)I LS11269 [2,0,0,0,0,0|2,0,0]=4 119 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [2,0,0,0,0,0|2,0,0]=4 120 B9R1.1 c1cc(ccc1CO)I LS11275 [2,0,0,0,0,0|1,0,0]=3 121 B9R1.1 c1cc(ccc1CO)N LS10779 [2,0,0,0,0,0|1,0,0]=3 122 B9R1.1 c1cc(ncc1Br)CO LS20572 [2,0,0,0,0,0|2,0,0]=4 123 B9R1.1 c1cc(ncc1CO)N LS40930 [2,0,0,0,0,0|2,0,0]=4 124 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.37 COc1cc(ccc1C=O)F LS10599 [1,1,0,0,0,0|1,0,1]=4 126 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [1,1,0,0,0,0|1,0,0]=3 127 B11R1.277 COc1cc(c(cc1Cl)Cl)N LS10683 [1,1,0,0,0,0|2,0,0]=4 128 B11R1.9 COc1cc(cc(c1)OC)N LS10284 [1,1,0,0,0,0|2,0,0]=4 129 B11R1.9 Cc1cc(cc(c1)OC)OC LS11630 [1,1,0,0,0,0|2,0,0]=4 130 B11R1.266 B(c1cc(cnc1)OC)(O)O LS11108 [1,1,0,0,0,0|2,0,0]=4 131 B11R1.266 B(c1cccc(c1)CO)(O)O LS10838 [1,1,0,0,0,0|2,0,0]=4 132 B11R1.266 B(c1cccc(c1)OC)(O)O LS10845 [1,1,0,0,0,0|1,0,0]=3 133 B11R1.266 B(c1cccc(c1)SC)(O)O LS10849 [1,1,0,0,0,0|1,1,0]=4 134 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [1,1,0,0,0,0|0,0,1]=3 135 B11R1.266 c1cc(cc(c1)[N+](=O)[O-])CO LS11391 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.267 CCc1cccc(c1O)CC LS11742 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.267 COc1cccc(c1F)C#N LS10265 [1,1,0,0,0,0|1,0,1]=4 138 B11R1.267 COc1cccc(c1F)C=O LS10125 [1,1,0,0,0,0|0,0,2]=4 139 B11R1.14 c1c(cc(c(c1O)O)O)C=O LS10215 [1,1,0,0,0,0|0,0,2]=4 140 B11R1.14 c1c(cc(c(c1O)O)O)C=O LS10699 [1,1,0,0,0,0|0,0,2]=4 141 B11R1.21 B(c1ccc(c(c1)C)C)(O)O LS10947 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.21 B(c1ccc(c(c1)C)F)(O)O LS11041 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.21 B(c1ccc(c(c1)Cl)O)(O)O LS11002 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.192 c1cc(c(cc1CCO)Cl)Cl LS11246 [1,1,0,0,0,0|2,0,0]=4 145 B11R1.192 c1cc(c(cc1CCO)Cl)F LS11250 [1,1,0,0,0,0|2,0,0]=4 146 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [1,1,0,0,0,0|2,0,0]=4 147 B11R1.279 COc1ccc(cc1O)C#N LS11706 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.279 COc1ccc(cc1O)C=O LS10550 [1,1,0,0,0,0|0,0,2]=4 149 B13R1.49 COc1cc(ccc1Br)C(=O)OC LS10001 [0,2,0,0,0,0|1,0,1]=4 150 B13R1.3091 B(c1ccc(c(c1)OC)OC)(O)O LS10946 [0,2,0,0,0,0|1,0,0]=3 151 B13R1.99 B(c1ccc(cc1OC)OC)(O)O LS10932 [0,2,0,0,0,0|2,0,0]=4 152 B13R1.386 COc1ccc(cc1OC)CC#N LS10059 [0,2,0,0,0,0|1,0,0]=3 153 B13R1.2200 COc1cc(c(cc1OC)Br)C=O LS10202 [0,2,0,0,0,0|0,0,2]=4 154 B13R1.2431 COC(=O)c1cc(ccc1O)C=O LS10659 [0,2,0,0,0,0|0,0,2]=4 155 B13R1.52 COc1cc(ccc1O)CC(=O)O LS10753 [0,2,0,0,0,0|0,0,0]=2 156 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [1,0,0,1,0,0|2,0,0]=4 157 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [1,0,0,1,0,0|2,0,0]=4 158 B13R2.430 B(c1ccc2c(c1)CCO2)(O)O LS11322 [0,1,0,1,0,0|2,0,0]=4 159 B13R2.430 B(c1ccc2c(c1)OCO2)(O)O LS00113 [0,1,0,1,0,0|1,0,0]=3 160 B13R2.57 c1cc2c(cc1C=O)OCCO2 LS00032 [0,1,0,1,0,0|0,0,2]=4