0 B10R1.172 CCc1cccc(c1)C=O LS10374 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.172 CCc1cccc(n1)CC LS21232 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.172 c1cc(cc(c1)C#N)C=O LS11367 [0,0,0,0,0,0|4,0,0]=4 3 B10R1.172 c1cc(cc(c1)C#N)CCl LS11850 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.172 c1cc(cc(c1)C=O)C=O LS11856 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.172 c1cc(cc(c1)CCl)CCl LS10008 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.172 c1cc(cc(c1)CO)CO LS11278 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.2 C#Cc1cccc(c1)N LS10320 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.2 COc1cc(ccn1)Br LS21151 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.2 COc1cc(ccn1)Cl LS20320 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.2 COc1cc(ccn1)N LS20329 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.2 COc1cc(nnc1)Cl LS21025 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.2 COc1cccc(n1)Cl LS20709 [1,0,0,0,0,0|2,0,0]=3 17 B9R1.2 COc1cccc(n1)N LS20232 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.2 Cc1cccc(c1)CBr LS11263 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.2 Cc1cccc(c1)CCl LS11215 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.2 Cc1cccc(c1)CN LS11219 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.2 Cc1cccc(n1)CO LS20207 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.2 c1cc(cc(c1)F)CO LS11387 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,0,0,0,0,0|2,0,0]=3 28 B11R1.9 COc1cc(cc(c1)OC)N LS10284 [0,1,0,0,0,0|0,0,0]=1 29 B11R1.9 COc1cc(nc(n1)Cl)OC LS20307 [0,1,0,0,0,0|2,0,0]=3 30 B11R1.9 COc1cc(nc(n1)N)OC LS21238 [0,1,0,0,0,0|2,0,0]=3 31 B11R1.9 COc1nc(nc(n1)Cl)OC LS40339 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.9 Cc1cc(cc(c1)OC)OC LS11630 [0,1,0,0,0,0|0,0,0]=1 33 B11R1.266 B(c1cc(cnc1)OC)(O)O LS11108 [0,1,0,0,0,0|3,0,0]=4 34 B11R1.266 B(c1cccc(c1)OC)(O)O LS10845 [0,1,0,0,0,0|2,0,0]=3 35 B11R1.266 B(c1cccc(c1)SC)(O)O LS10849 [0,1,0,0,0,0|2,1,0]=4 36 B11R1.266 COc1cccc(c1)C(=O)O LS11528 [0,1,0,0,0,0|2,0,0]=3 37 B11R1.267 CCc1cccc(c1O)CC LS11742 [0,1,0,0,0,0|2,0,0]=3 38 B11R1.267 COc1cccc(c1F)C#N LS10265 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.267 COc1cccc(c1F)C=O LS10125 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.280 CCc1cc(ccc1N)C#N LS10564 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.280 COc1cc(ccc1F)C=O LS10503 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.280 COc1cc(ccc1O)C#N LS11702 [0,1,0,0,0,0|2,0,0]=3 43 B11R1.280 COc1cc(ccc1O)CN LS11401 [0,1,0,0,0,0|2,0,0]=3 44 B9R1.21 COC1C=CC(O1)OC LS40906 [0,0,0,0,1,0|1,0,2]=4 45 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 46 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 47 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|2,0,0]=4 48 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|2,0,0]=4 49 B8R1.4 Cc1cc(cnc1)Br LS20401 [2,0,0,0,0,0|2,0,0]=4 50 B8R1.4 Cc1cc(cnc1)C LS41253 [2,0,0,0,0,0|1,0,0]=3 51 B8R1.4 Cc1cccc(n1)Br LS20561 [2,0,0,0,0,0|2,0,0]=4 52 B8R1.4 Cc1cccc(n1)Cl LS20527 [2,0,0,0,0,0|2,0,0]=4 53 B8R1.4 Cc1ccnc(c1)Br LS20539 [2,0,0,0,0,0|2,0,0]=4 54 B8R1.4 Cc1ccnc(c1)Cl LS20535 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.4 Cc1ccnc(c1)F LS20532 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.4 Cc1ccnc(n1)O LS20077 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.4 c1c(cncc1F)O LS20013 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.4 c1cc(cc(c1)Br)N LS10546 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.4 c1cc(cc(c1)F)F LS10472 [2,0,0,0,0,0|2,0,0]=4 60 B8R1.4 c1cc(cc(c1)F)O LS11397 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.4 c1cc(cc(c1)I)Br LS11202 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.4 c1cc(cc(c1)I)N LS10554 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.4 c1cc(cc(c1)S)O LS11830 [2,0,0,0,0,0|0,1,0]=3 64 B8R1.4 c1cc(nc(c1)Cl)O LS20221 [2,0,0,0,0,0|2,0,0]=4 65 B8R1.4 c1cnc(cc1Br)O LS20336 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.4 c1cnc(cc1O)Cl LS20425 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.4 c1cnc(cc1O)N LS20319 [2,0,0,0,0,0|2,0,0]=4 68 B10R1.2 COc1cccc(c1Cl)N LS10071 [1,1,0,0,0,0|1,0,0]=3 69 B10R1.2 COc1cccc(c1F)Br LS10315 [1,1,0,0,0,0|1,0,0]=3 70 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [1,1,0,0,0,0|1,0,0]=3 71 B10R1.2 Cc1c(cccc1OC)N LS11795 [1,1,0,0,0,0|1,0,0]=3 72 B10R1.2 Cc1c(cccc1OC)N LS11803 [1,1,0,0,0,0|1,0,0]=3 73 B10R1.2 Cc1cccc(c1Cl)C#N LS10020 [1,1,0,0,0,0|2,0,0]=4 74 B10R1.2 Cc1cccc(c1F)C#N LS10264 [1,1,0,0,0,0|2,0,0]=4 75 B10R1.2 Cc1cccc(c1F)C=O LS10502 [1,1,0,0,0,0|2,0,0]=4 76 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [1,1,0,0,0,0|2,0,0]=4 77 B10R1.8 COc1cc(cc(c1)Br)Br LS10488 [1,1,0,0,0,0|1,0,0]=3 78 B10R1.8 COc1cc(cc(c1)Br)F LS10314 [1,1,0,0,0,0|1,0,0]=3 79 B10R1.8 COc1cc(cc(c1)Cl)Cl LS10338 [1,1,0,0,0,0|1,0,0]=3 80 B10R1.8 Cc1cc(cc(c1)Cl)C=O LS10080 [1,1,0,0,0,0|2,0,0]=4 81 B10R1.10 Cc1cccc(c1)CCO LS11238 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.10 c1cc(cc(c1)Br)CCN LS11227 [1,1,0,0,0,0|2,0,0]=4 83 B10R1.10 c1cc(cc(c1)Br)CCO LS11248 [1,1,0,0,0,0|2,0,0]=4 84 B10R1.10 c1cc(cc(c1)Cl)CCN LS11232 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [1,1,0,0,0,0|1,0,0]=3 86 B10R1.30 COc1cc(ccc1Br)Br LS10232 [1,1,0,0,0,0|1,0,0]=3 87 B10R1.30 COc1cc(ccc1Cl)I LS10238 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.30 COc1cc(ccc1F)F LS11368 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.30 COc1cc(ccc1F)N LS10127 [1,1,0,0,0,0|1,0,0]=3 90 B10R1.30 COc1cc(ccc1F)O LS10037 [1,1,0,0,0,0|0,0,0]=2 91 B10R1.30 COc1cc(ccc1I)Cl LS10237 [1,1,0,0,0,0|1,0,0]=3 92 B10R1.30 COc1cc(ccc1N)Br LS10476 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.30 COc1cc(ccc1N)I LS10552 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [1,1,0,0,0,0|0,0,0]=2 98 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.113 B(c1cccc(c1)C)(O)O LS10847 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.113 B(c1cccc(c1)O)(O)O LS10839 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 CC(=O)c1cccc(c1)N LS11527 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.113 CN(C)c1cccc(c1)O LS11214 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.113 Cc1ccnc(c1)C(=O)C LS21177 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.113 c1cc(cc(c1)O)[N+](=O)[O-] LS11800 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.176 COc1ccc(c(c1)Br)Cl LS11200 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.176 COc1ccc(c(c1)Br)N LS10024 [1,1,0,0,0,0|1,0,0]=3 108 B10R1.176 COc1ccc(c(c1)I)N LS10038 [1,1,0,0,0,0|1,0,0]=3 109 B10R1.176 COc1ccc(c(c1)N)Br LS11669 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.176 COc1ccc(c(c1)N)F LS10016 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.176 Cc1c(ccc(n1)OC)Br LS20326 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.176 Cc1c(ccc(n1)OC)F LS20325 [1,1,0,0,0,0|1,0,0]=3 113 B10R1.176 Cc1c(ccc(n1)OC)N LS20506 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.176 Cc1c(ccc(n1)OC)N LS20740 [1,1,0,0,0,0|1,0,0]=3 115 B10R1.176 Cc1cc(ccc1Br)C#N LS00135 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.176 Cc1cc(ccc1Cl)C#N LS10009 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.176 Cc1cc(ncc1Br)OC LS20327 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.176 Cc1cc(ncc1N)OC LS20328 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.176 Cc1ccc(cc1C)C=O LS11363 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.176 c1cc(c(cc1C#N)O)O LS11705 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.176 c1cc(c(cc1C=O)O)Br LS10136 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.176 c1cc(c(cc1C=O)O)O LS10200 [1,1,0,0,0,0|2,0,0]=4 123 B12R1.11 B(c1cc(cc(c1)Br)OC)(O)O LS10995 [0,2,0,0,0,0|2,0,0]=4 124 B12R1.58 COc1cc(cc(c1)OC)C=O LS11617 [0,2,0,0,0,0|0,0,0]=2 125 B12R1.58 COc1cc(nc(n1)CCl)OC LS20169 [0,2,0,0,0,0|2,0,0]=4 126 B12R1.58 COc1cc(nc(n1)SC)OC LS21254 [0,2,0,0,0,0|2,0,0]=4 127 B12R1.300 COc1cc(c(c(c1)F)Br)OC LS10373 [0,2,0,0,0,0|0,0,0]=2 128 B12R1.279 B(c1cccc(c1)OCC)(O)O LS10836 [0,2,0,0,0,0|2,0,0]=4 129 B12R1.438 c1cc(cc(c1)OC(F)F)C=O LS10388 [0,2,0,0,0,0|2,0,0]=4 130 B12R1.56 B(c1ccc(c(c1)OC)C)(O)O LS11021 [0,2,0,0,0,0|2,0,0]=4 131 B12R1.56 B(c1ccc(c(c1)OC)F)(O)O LS11040 [0,2,0,0,0,0|2,0,0]=4 132 B12R1.56 COc1cc(ccc1F)[N+](=O)[O-] LS00026 [0,2,0,0,0,0|2,0,0]=4 133 B12R1.56 COc1cc(ccc1I)[N+](=O)[O-] LS10410 [0,2,0,0,0,0|2,0,0]=4 134 B12R1.56 COc1cc(ccc1N)C(=O)O LS11388 [0,2,0,0,0,0|2,0,0]=4 135 B12R1.436 COc1cccc(c1)S(=O)(=O)Cl LS11498 [0,2,0,0,0,0|1,1,0]=4 136 B12R1.440 B(c1cccc(c1F)OC)(O)O LS10979 [0,2,0,0,0,0|2,0,0]=4 137 B12R1.440 COc1cccc(c1N)C(=O)O LS00056 [0,2,0,0,0,0|2,0,0]=4 138 B12R1.453 B(c1cc(ccc1Cl)OC)(O)O LS10976 [0,2,0,0,0,0|2,0,0]=4 139 B12R1.453 B(c1cc(ccc1F)OC)(O)O LS10982 [0,2,0,0,0,0|2,0,0]=4 140 B12R1.453 COc1ccc(c(c1)C(=O)O)N LS11463 [0,2,0,0,0,0|2,0,0]=4 141 B12R1.453 COc1ccc(c(c1)C(=O)O)O LS11288 [0,2,0,0,0,0|2,0,0]=4 142 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Br LS10762 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.453 COc1ccc(c(c1)[N+](=O)[O-])Cl LS10413 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.78 COc1ccc(cc1OC)CO LS10643 [0,2,0,0,0,0|2,0,0]=4 145 B10R2.7 c1c2c(cs1)OCCO2 LS11599 [0,0,0,1,1,0|1,0,0]=3 146 B12R2.44 COc1ccc2c(c1)NCC2 LS20156 [0,1,0,1,0,0|1,0,0]=3 147 B12R2.44 COc1ccc2c(c1)cc[nH]2 LS20135 [0,1,0,1,0,0|1,0,1]=4 148 B12R2.44 COc1ccc2cc[nH]c2c1 LS20429 [0,1,0,1,0,0|1,0,1]=4 149 B12R2.44 c1cc2c(cc1C#N)OCO2 LS40634 [0,1,0,1,0,0|2,0,0]=4 150 B12R2.44 c1cc2c(cc1CN)OCO2 LS40613 [0,1,0,1,0,0|2,0,0]=4 151 B12R2.315 COc1cccc2c1cc[nH]2 LS21192 [0,1,0,1,0,0|1,0,1]=4