0 B10R1.20 CCc1ccccc1C=O LS00084 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.20 COc1c(cccn1)C=O LS21173 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.20 COc1ccccc1CCl LS10029 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.20 COc1ccccc1OC LS11385 [0,0,0,0,0,0|0,0,0]=0 4 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.20 c1ccc(c(c1)CBr)C#N LS10612 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.20 c1ccc(c(c1)CCl)C#N LS11849 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.20 c1ccc(c(c1)CCl)CCl LS10651 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.15 C=Cc1ccccc1Br LS11653 [1,0,0,0,0,0|2,0,1]=4 9 B9R1.15 C=Cc1ccccc1Cl LS11654 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.15 C=Cc1ccccc1F LS11647 [1,0,0,0,0,0|2,0,1]=4 11 B9R1.15 CNc1ccccc1Br LS11478 [1,0,0,0,0,0|2,0,0]=3 12 B9R1.15 CNc1ccccc1F LS10646 [1,0,0,0,0,0|2,0,0]=3 13 B9R1.15 COc1c(cccn1)I LS20331 [1,0,0,0,0,0|2,0,0]=3 14 B9R1.15 COc1cccnc1Br LS20368 [1,0,0,0,0,0|2,0,0]=3 15 B9R1.15 COc1cncnc1N LS20720 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CSc1ccccc1Br LS11369 [1,0,0,0,0,0|1,1,0]=3 17 B9R1.15 Cc1ccccc1C#C LS11393 [1,0,0,0,0,0|1,0,1]=3 18 B9R1.15 Cc1ccccc1C=O LS11852 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.15 Cc1ccccc1CBr LS11262 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.15 Cc1ccccc1CN LS11218 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.15 Cc1ccccc1CO LS11274 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 Cc1ccncc1C#N LS20001 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [1,0,0,0,0,0|3,0,0]=4 24 B9R1.15 c1cc(c(nc1)CO)O LS20165 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [1,0,0,0,0,0|3,0,0]=4 31 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.15 c1ccc(c(c1)CO)F LS11270 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.15 c1ccc(c(c1)CO)I LS11276 [1,0,0,0,0,0|3,0,0]=4 35 B9R1.15 c1ccc(c(c1)CO)N LS10594 [1,0,0,0,0,0|3,0,0]=4 36 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [1,0,0,0,0,0|3,0,0]=4 37 B9R1.15 c1ccc(c(c1)NN)F LS11539 [1,0,0,0,0,0|3,0,0]=4 38 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.37 COc1cc(ccc1C=O)F LS10599 [0,1,0,0,0,0|2,0,0]=3 40 B11R1.37 COc1ccc(cc1C=O)Cl LS10412 [0,1,0,0,0,0|2,0,0]=3 41 B11R1.41 COc1ccccc1CCO LS11834 [0,1,0,0,0,0|1,0,0]=2 42 B11R1.53 B(c1ccccc1CC)(O)O LS10539 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.53 B(c1ccccc1OC)(O)O LS10801 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.53 B(c1ccccc1SC)(O)O LS00116 [0,1,0,0,0,0|2,1,0]=4 45 B11R1.53 B(c1cccnc1OC)(O)O LS20388 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,1,0,0,0,0|2,0,0]=3 47 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,1,0,0,0,0|2,0,0]=3 48 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,0,0,1,0,0|3,0,0]=4 49 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,0,0,1,0,0|3,0,0]=4 50 B11R2.20 c1cc2c(nc1)CCCC2 LS40266 [0,0,0,1,0,0|3,0,0]=4 51 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [0,0,0,1,0,0|2,0,0]=3 52 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,0,0,1,0,0|1,0,0]=2 53 B8R1.2 C#Cc1ccccc1 LS10701 [2,0,0,0,0,0|1,0,1]=4 54 B8R1.2 CNc1cccnc1 LS20470 [2,0,0,0,0,0|2,0,0]=4 55 B8R1.2 c1ccc(cc1)C=O LS41490 [2,0,0,0,0,0|2,0,0]=4 56 B8R1.2 c1ccc(cc1)CO LS41488 [2,0,0,0,0,0|2,0,0]=4 57 B8R1.5 Cc1c(cccn1)Br LS20529 [2,0,0,0,0,0|2,0,0]=4 58 B8R1.5 Cc1c(cccn1)F LS00100 [2,0,0,0,0,0|2,0,0]=4 59 B8R1.5 Cc1c(cccn1)O LS20321 [2,0,0,0,0,0|1,0,0]=3 60 B8R1.5 Cc1ccccc1Cl LS11417 [2,0,0,0,0,0|1,0,0]=3 61 B8R1.5 Cc1cccnc1Br LS20246 [2,0,0,0,0,0|2,0,0]=4 62 B8R1.5 Cc1cccnc1F LS20403 [2,0,0,0,0,0|2,0,0]=4 63 B8R1.5 Cc1cccnc1N LS20579 [2,0,0,0,0,0|2,0,0]=4 64 B8R1.5 Cc1cccnc1O LS20286 [2,0,0,0,0,0|1,0,0]=3 65 B8R1.5 Cc1ccncc1Br LS20222 [2,0,0,0,0,0|2,0,0]=4 66 B8R1.5 Cc1ccncc1F LS20260 [2,0,0,0,0,0|2,0,0]=4 67 B8R1.5 Cc1ccncc1N LS20500 [2,0,0,0,0,0|2,0,0]=4 68 B8R1.5 Cc1cnccc1Br LS20316 [2,0,0,0,0,0|2,0,0]=4 69 B8R1.5 Cc1cnccc1Cl LS20243 [2,0,0,0,0,0|2,0,0]=4 70 B8R1.5 Cn1ccccc1=O LS40391 [2,0,0,0,0,0|1,0,1]=4 71 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [2,0,0,0,0,0|2,0,0]=4 72 B8R1.5 c1ccc(c(c1)Br)I LS10473 [2,0,0,0,0,0|2,0,0]=4 73 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [2,0,0,0,0,0|2,0,0]=4 74 B8R1.5 c1ccc(c(c1)N)Br LS11448 [2,0,0,0,0,0|2,0,0]=4 75 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [2,0,0,0,0,0|2,0,0]=4 76 B8R1.5 c1ccc(c(c1)N)I LS10537 [2,0,0,0,0,0|2,0,0]=4 77 B8R1.5 c1ccc(c(c1)O)Br LS11447 [2,0,0,0,0,0|1,0,0]=3 78 B8R1.5 c1ccc(c(c1)O)F LS10471 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.5 c1ccc(c(c1)O)I LS00004 [2,0,0,0,0,0|1,0,0]=3 80 B8R1.5 c1ccn(c(=O)c1)O LS21131 [2,0,0,0,0,0|1,0,1]=4 81 B10R1.2 COc1cccc(c1Cl)N LS10071 [1,1,0,0,0,0|1,0,0]=3 82 B10R1.2 COc1cccc(c1F)Br LS10315 [1,1,0,0,0,0|1,0,0]=3 83 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [1,1,0,0,0,0|0,0,0]=2 84 B10R1.2 Cc1c(cccc1F)C#N LS10445 [1,1,0,0,0,0|2,0,0]=4 85 B10R1.2 Cc1c(cccc1F)C=O LS10501 [1,1,0,0,0,0|2,0,0]=4 86 B10R1.2 Cc1c(cccc1OC)N LS11795 [1,1,0,0,0,0|0,0,0]=2 87 B10R1.2 Cc1c(cccc1OC)N LS11803 [1,1,0,0,0,0|0,0,0]=2 88 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [1,1,0,0,0,0|2,0,0]=4 89 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.4 C=CCc1ccccc1O LS11683 [1,1,0,0,0,0|1,0,1]=4 92 B10R1.4 CCOc1ccccc1Br LS10370 [1,1,0,0,0,0|1,0,0]=3 93 B10R1.4 Cc1ccccc1CCO LS11237 [1,1,0,0,0,0|1,0,0]=3 94 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [1,1,0,0,0,0|2,0,0]=4 97 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [1,1,0,0,0,0|2,0,0]=4 98 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [1,1,0,0,0,0|2,0,0]=4 101 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [1,1,0,0,0,0|2,0,0]=4 103 B10R1.25 COc1ccc(cc1Br)N LS10092 [1,1,0,0,0,0|1,0,0]=3 104 B10R1.25 COc1ccc(cc1F)N LS10107 [1,1,0,0,0,0|1,0,0]=3 105 B10R1.25 COc1ccc(cc1F)O LS10467 [1,1,0,0,0,0|1,0,0]=3 106 B10R1.25 COc1ccc(cc1I)N LS10132 [1,1,0,0,0,0|1,0,0]=3 107 B10R1.25 COc1cnc(nc1O)O LS20708 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [1,1,0,0,0,0|2,0,0]=4 111 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.30 COc1cc(ccc1Br)Br LS10232 [1,1,0,0,0,0|1,0,0]=3 116 B10R1.30 COc1cc(ccc1Cl)I LS10238 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.30 COc1cc(ccc1F)F LS11368 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.30 COc1cc(ccc1F)N LS10127 [1,1,0,0,0,0|1,0,0]=3 119 B10R1.30 COc1cc(ccc1F)O LS10037 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.30 COc1cc(ccc1I)Cl LS10237 [1,1,0,0,0,0|1,0,0]=3 121 B10R1.30 COc1cc(ccc1N)Br LS10476 [1,1,0,0,0,0|1,0,0]=3 122 B10R1.30 COc1cc(ccc1N)I LS10552 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [1,1,0,0,0,0|1,0,0]=3 125 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [1,1,0,0,0,0|2,0,0]=4 128 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.61 B(c1ccccc1C)(O)O LS10802 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.61 B(c1ccccc1O)(O)O LS10799 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.61 CC(=O)c1ccccc1N LS10731 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.61 CC(=O)c1ccccc1O LS10607 [1,1,0,0,0,0|1,0,0]=3 134 B10R1.61 CN(C)c1ccccc1Br LS10558 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.61 CN(C)c1ccccc1Cl LS10168 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.61 CN(C)c1ccccc1F LS10242 [1,1,0,0,0,0|2,0,0]=4 137 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.61 Cc1ccccc1C(=O)O LS10119 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.245 COc1c(cccc1Br)Br LS11344 [1,1,0,0,0,0|1,0,0]=3 140 B10R1.245 COc1c(cccc1Br)F LS11343 [1,1,0,0,0,0|1,0,0]=3 141 B10R1.245 COc1c(cccc1Cl)F LS10027 [1,1,0,0,0,0|1,0,0]=3 142 B10R1.245 COc1c(cccc1F)N LS10380 [1,1,0,0,0,0|1,0,0]=3 143 B10R1.245 COc1c(cccc1I)F LS10378 [1,1,0,0,0,0|1,0,0]=3 144 B10R1.245 COc1c(ncnc1O)O LS20087 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.245 Cc1cccc(c1C#N)F LS10263 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.245 Cc1cccc(c1CCl)C LS10100 [1,1,0,0,0,0|2,0,0]=4 147 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [1,1,0,0,0,0|2,0,0]=4 148 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [1,1,0,0,0,0|2,0,0]=4 149 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [1,1,0,0,0,0|2,0,0]=4 150 B12R1.46 B(c1cc(ccc1OC)Cl)(O)O LS11050 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.46 B(c1cc(ccc1OC)F)(O)O LS11053 [0,2,0,0,0,0|2,0,0]=4 152 B12R1.46 COc1ccc(cc1C(=O)O)Cl LS10620 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.46 COc1ccc(cc1C(=O)O)F LS10409 [0,2,0,0,0,0|2,0,0]=4 154 B12R1.46 COc1ccc(cc1[N+](=O)[O-])O LS10060 [0,2,0,0,0,0|2,0,0]=4 155 B12R1.57 COc1cc(ccc1C(=O)O)F LS10248 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.57 COc1cc(ccc1[N+](=O)[O-])F LS10561 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.78 COc1ccc(cc1OC)CO LS10643 [0,2,0,0,0,0|0,0,0]=2 158 B12R1.652 COc1ccc(c(c1C#N)F)F LS10269 [0,2,0,0,0,0|2,0,0]=4 159 B12R1.77 COC(=O)c1ccccc1CBr LS10148 [0,2,0,0,0,0|2,0,0]=4 160 B12R1.283 B(c1ccccc1OCC)(O)O LS10796 [0,2,0,0,0,0|2,0,0]=4 161 B12R1.87 B(c1cccc(c1OC)Br)(O)O LS11342 [0,2,0,0,0,0|2,0,0]=4 162 B12R1.87 B(c1cccc(c1OC)F)(O)O LS10421 [0,2,0,0,0,0|2,0,0]=4 163 B12R1.87 COc1c(cccc1Br)[N+](=O)[O-] LS10743 [0,2,0,0,0,0|2,0,0]=4 164 B12R1.437 B(c1c(cccc1F)OC)(O)O LS10985 [0,2,0,0,0,0|2,0,0]=4 165 B12R1.437 Cc1cccc(c1C(=O)O)OC LS10746 [0,2,0,0,0,0|2,0,0]=4 166 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [1,0,0,1,0,0|2,0,0]=4 167 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [1,0,0,1,0,0|1,0,1]=4 168 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [1,0,0,1,0,0|2,0,0]=4 169 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [1,0,0,1,0,0|0,0,0]=2 170 B12R2.24 c1ccc2c(c1)NC(=O)CO2 LS40207 [0,1,0,1,0,0|1,0,1]=4 171 B12R2.612 c1cc2c(cc1O)OCC2=O LS21028 [0,1,0,1,0,0|2,0,0]=4 172 B12R2.315 COc1cccc2c1cc[nH]2 LS21192 [0,1,0,1,0,0|1,0,1]=4 173 B12R2.1081 CC1c2ccccc2CCN1 LS21138 [0,1,0,1,0,0|2,0,0]=4 174 B12R2.1081 c1ccc2c(c1)CCC[C@@H]2N LS30071 [0,1,0,1,0,0|2,0,0]=4