0 B9R1.15 C=Cc1ccccc1Br LS11653 [0,0,0,0,0,0|2,0,1]=3 1 B9R1.15 C=Cc1ccccc1Cl LS11654 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.15 C=Cc1ccccc1F LS11647 [0,0,0,0,0,0|2,0,1]=3 3 B9R1.15 CCc1c(cncn1)F LS20618 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.15 CNc1ccccc1Br LS11478 [0,0,0,0,0,0|2,0,0]=2 5 B9R1.15 CNc1ccccc1F LS10646 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.15 COc1c(cccn1)I LS20331 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.15 COc1cccnc1Br LS20368 [0,0,0,0,0,0|2,0,0]=2 8 B9R1.15 COc1cncnc1N LS20720 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.15 CSc1ccccc1Br LS11369 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.15 Cc1ccccc1C#C LS11393 [0,0,0,0,0,0|1,0,1]=2 11 B9R1.15 Cc1ccccc1C=O LS11852 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.15 Cc1ccccc1CBr LS11262 [0,0,0,0,0,0|2,0,0]=2 13 B9R1.15 Cc1ccccc1CN LS11218 [0,0,0,0,0,0|2,0,0]=2 14 B9R1.15 Cc1ccccc1CO LS11274 [0,0,0,0,0,0|2,0,0]=2 15 B9R1.15 Cc1ccncc1C#N LS20001 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.15 c1cc(c(nc1)C#N)Br LS20446 [0,0,0,0,0,0|4,0,0]=4 17 B9R1.15 c1cc(c(nc1)C#N)I LS20062 [0,0,0,0,0,0|4,0,0]=4 18 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.15 c1cc(c(nc1)CO)O LS20165 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.15 c1cc(c(nc1)N)C#N LS20375 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.15 c1cc(c(nc1)N)CO LS41435 [0,0,0,0,0,0|4,0,0]=4 25 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [0,0,0,0,0,0|4,0,0]=4 26 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [0,0,0,0,0,0|3,0,0]=3 28 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [0,0,0,0,0,0|3,0,0]=3 30 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [0,0,0,0,0,0|3,0,0]=3 31 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [0,0,0,0,0,0|3,0,0]=3 32 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [0,0,0,0,0,0|3,0,0]=3 33 B9R1.15 c1ccc(c(c1)CO)F LS11270 [0,0,0,0,0,0|3,0,0]=3 34 B9R1.15 c1ccc(c(c1)CO)I LS11276 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.15 c1ccc(c(c1)CO)N LS10594 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.15 c1ccc(c(c1)NN)Br LS11826 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.15 c1ccc(c(c1)NN)F LS11539 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.15 c1cncc(c1Br)C#N LS20628 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.15 c1cncc(c1C=O)Br LS20109 [0,0,0,0,0,0|4,0,0]=4 40 B8R1.2 C#Cc1ccccc1 LS10701 [1,0,0,0,0,0|1,0,1]=3 41 B8R1.2 CNc1cccnc1 LS20470 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 c1cc(cnc1)C=O LS20485 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.2 c1ccc(cc1)C=O LS41490 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.2 c1ccc(cc1)CO LS41488 [1,0,0,0,0,0|2,0,0]=3 45 B8R1.2 c1cnccc1C=O LS20943 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 c1cnccc1CN LS20857 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 c1cnccc1NN LS20045 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.5 Cc1c(cccn1)Br LS20529 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.5 Cc1c(cccn1)F LS00100 [1,0,0,0,0,0|2,0,0]=3 50 B8R1.5 Cc1c(cccn1)O LS20321 [1,0,0,0,0,0|1,0,0]=2 51 B8R1.5 Cc1c(cncn1)Br LS20023 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.5 Cc1c(cncn1)Cl LS21219 [1,0,0,0,0,0|3,0,0]=4 53 B8R1.5 Cc1c(nccn1)Cl LS20451 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 Cc1ccccc1Cl LS11417 [1,0,0,0,0,0|1,0,0]=2 55 B8R1.5 Cc1cccnc1Br LS20246 [1,0,0,0,0,0|2,0,0]=3 56 B8R1.5 Cc1cccnc1F LS20403 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 Cc1cccnc1N LS20579 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 Cc1cccnc1O LS20286 [1,0,0,0,0,0|1,0,0]=2 59 B8R1.5 Cc1ccncc1Br LS20222 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.5 Cc1ccncc1F LS20260 [1,0,0,0,0,0|2,0,0]=3 61 B8R1.5 Cc1ccncc1N LS20500 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.5 Cc1cnccc1Br LS20316 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.5 Cc1cnccc1Cl LS20243 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.5 Cc1cncnc1Cl LS20953 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.5 Cn1ccccc1=O LS40391 [1,0,0,0,0,0|1,0,1]=3 66 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.5 c1cc(c(nc1)Br)N LS20186 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.5 c1cc(c(nc1)F)Br LS20414 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.5 c1cc(c(nc1)I)N LS20187 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [1,0,0,0,0,0|2,0,1]=4 79 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [1,0,0,0,0,0|2,0,0]=3 80 B8R1.5 c1ccc(c(c1)Br)I LS10473 [1,0,0,0,0,0|2,0,0]=3 81 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.5 c1ccc(c(c1)O)Br LS11447 [1,0,0,0,0,0|1,0,0]=2 86 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,0,0,0,0,0|1,0,0]=2 87 B8R1.5 c1ccc(c(c1)O)I LS00004 [1,0,0,0,0,0|1,0,0]=2 88 B8R1.5 c1ccn(c(=O)c1)O LS21131 [1,0,0,0,0,0|2,0,0]=3 89 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,0,0,0,0,0|3,0,0]=4 90 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,0,0,0,0,0|3,0,0]=4 91 B8R1.5 c1cncc(c1N)F LS20317 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.5 c1cncc(c1N)N LS00018 [1,0,0,0,0,0|3,0,0]=4 93 B10R1.2 COc1cccc(c1Cl)N LS10071 [0,1,0,0,0,0|1,0,0]=2 94 B10R1.2 COc1cccc(c1F)Br LS10315 [0,1,0,0,0,0|1,0,0]=2 95 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [0,1,0,0,0,0|0,0,0]=1 96 B10R1.2 Cc1c(cccc1F)C#N LS10445 [0,1,0,0,0,0|2,0,0]=3 97 B10R1.2 Cc1c(cccc1F)C=O LS10501 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.2 Cc1c(cccc1OC)N LS11795 [0,1,0,0,0,0|0,0,0]=1 99 B10R1.2 Cc1c(cccc1OC)N LS11803 [0,1,0,0,0,0|0,0,0]=1 100 B10R1.2 Cc1cccc(c1Cl)C#N LS10020 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.2 Cc1cccc(c1F)C#N LS10264 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.2 Cc1cccc(c1F)C=O LS10502 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.2 c1cc(c(c(c1)Br)F)CO LS11308 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr LS11265 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN LS11222 [0,1,0,0,0,0|3,0,0]=4 107 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [0,1,0,0,0,0|3,0,0]=4 108 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [0,1,0,0,0,0|3,0,0]=4 109 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [0,1,0,0,0,0|3,0,0]=4 110 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [0,1,0,0,0,0|3,0,0]=4 115 B10R1.4 C=CCc1ccccc1O LS11683 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.4 CCOc1ccccc1Br LS10370 [0,1,0,0,0,0|1,0,0]=2 117 B10R1.4 Cc1ccccc1CCO LS11237 [0,1,0,0,0,0|1,0,0]=2 118 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [0,1,0,0,0,0|2,0,0]=3 119 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [0,1,0,0,0,0|2,0,0]=3 120 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [0,1,0,0,0,0|2,0,0]=3 121 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [0,1,0,0,0,0|2,0,0]=3 122 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [0,1,0,0,0,0|3,0,0]=4 123 B10R1.20 CCc1ccccc1C=O LS00084 [0,1,0,0,0,0|1,0,1]=3 124 B10R1.20 COc1c(cccn1)C=O LS21173 [0,1,0,0,0,0|1,0,1]=3 125 B10R1.20 COc1ccccc1CCl LS10029 [0,1,0,0,0,0|0,0,0]=1 126 B10R1.20 COc1ccccc1OC LS11385 [0,1,0,0,0,0|0,0,0]=1 127 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [0,1,0,0,0,0|2,0,1]=4 128 B10R1.20 c1ccc(c(c1)CBr)C#N LS10612 [0,1,0,0,0,0|2,0,0]=3 129 B10R1.20 c1ccc(c(c1)CCl)C#N LS11849 [0,1,0,0,0,0|2,0,0]=3 130 B10R1.20 c1ccc(c(c1)CCl)CCl LS10651 [0,1,0,0,0,0|2,0,0]=3 131 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [0,1,0,0,0,0|2,0,0]=3 132 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,1,0,0,0,0|1,0,0]=2 137 B10R1.25 COc1ccc(cc1F)N LS10107 [0,1,0,0,0,0|1,0,0]=2 138 B10R1.25 COc1ccc(cc1F)O LS10467 [0,1,0,0,0,0|1,0,0]=2 139 B10R1.25 COc1ccc(cc1I)N LS10132 [0,1,0,0,0,0|1,0,0]=2 140 B10R1.25 COc1cnc(nc1Cl)Cl LS20707 [0,1,0,0,0,0|3,0,0]=4 141 B10R1.25 COc1cnc(nc1N)Cl LS20721 [0,1,0,0,0,0|3,0,0]=4 142 B10R1.25 COc1cnc(nc1O)O LS20708 [0,1,0,0,0,0|3,0,0]=4 143 B10R1.25 Cc1c(ccc(n1)Br)C#N LS20364 [0,1,0,0,0,0|3,0,0]=4 144 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,1,0,0,0,0|2,0,0]=3 145 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,1,0,0,0,0|2,0,0]=3 146 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,1,0,0,0,0|2,0,0]=3 147 B10R1.25 Cc1cc(ncc1C#N)Br LS20365 [0,1,0,0,0,0|3,0,0]=4 148 B10R1.25 Cc1cc(ncc1C#N)N LS20370 [0,1,0,0,0,0|3,0,0]=4 149 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,1,0,0,0,0|3,0,0]=4 150 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,1,0,0,0,0|3,0,0]=4 159 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,1,0,0,0,0|3,0,0]=4 160 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,1,0,0,0,0|3,0,0]=4 161 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,1,0,0,0,0|3,0,0]=4 162 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,1,0,0,0,0|3,0,0]=4 163 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,1,0,0,0,0|3,0,0]=4 164 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,1,0,0,0,0|3,0,0]=4 165 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,1,0,0,0,0|3,0,0]=4 166 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.30 COc1cc(ccc1Br)Br LS10232 [0,1,0,0,0,0|1,0,0]=2 169 B10R1.30 COc1cc(ccc1Cl)I LS10238 [0,1,0,0,0,0|1,0,0]=2 170 B10R1.30 COc1cc(ccc1F)F LS11368 [0,1,0,0,0,0|1,0,0]=2 171 B10R1.30 COc1cc(ccc1F)N LS10127 [0,1,0,0,0,0|1,0,0]=2 172 B10R1.30 COc1cc(ccc1F)O LS10037 [0,1,0,0,0,0|1,0,0]=2 173 B10R1.30 COc1cc(ccc1I)Cl LS10237 [0,1,0,0,0,0|1,0,0]=2 174 B10R1.30 COc1cc(ccc1N)Br LS10476 [0,1,0,0,0,0|1,0,0]=2 175 B10R1.30 COc1cc(ccc1N)I LS10552 [0,1,0,0,0,0|1,0,0]=2 176 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [0,1,0,0,0,0|3,0,0]=4 177 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,1,0,0,0,0|3,0,0]=4 178 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [0,1,0,0,0,0|1,0,0]=2 180 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [0,1,0,0,0,0|2,0,0]=3 181 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,1,0,0,0,0|3,0,0]=4 182 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.30 c1cc(c(cc1Br)CCl)Cl LS10048 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.30 c1cc(c(cc1Br)NN)Br LS11316 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.30 c1cc(c(cc1Cl)C=O)N LS10227 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.30 c1cc(c(cc1Cl)NN)F LS10281 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.30 c1cc(c(cc1F)C#N)Br LS10364 [0,1,0,0,0,0|3,0,0]=4 189 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,1,0,0,0,0|3,0,0]=4 190 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,1,0,0,0,0|3,0,0]=4 191 B10R1.30 c1cc(c(cc1F)CBr)Br LS10492 [0,1,0,0,0,0|3,0,0]=4 192 B10R1.30 c1cc(c(cc1F)CCl)Br LS10493 [0,1,0,0,0,0|3,0,0]=4 193 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [0,1,0,0,0,0|3,0,0]=4 194 B10R1.30 c1cc(c(cc1I)C#N)Cl LS10438 [0,1,0,0,0,0|3,0,0]=4 195 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,1,0,0,0,0|3,0,0]=4 196 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.61 B(c1ccccc1Br)(O)O LS10792 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.61 B(c1ccccc1C)(O)O LS10802 [0,1,0,0,0,0|2,0,0]=3 199 B10R1.61 B(c1ccccc1Cl)(O)O LS00151 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.61 B(c1ccccc1F)(O)O LS10797 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.61 B(c1ccccc1N)(O)O LS10787 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.61 B(c1ccccc1O)(O)O LS10799 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.61 B(c1cnccc1C)(O)O LS11105 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,1,0,0,0,0|2,0,0]=3 205 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,1,0,0,0,0|2,0,0]=3 206 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,1,0,0,0,0|3,0,0]=4 207 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 CN(C)c1ccccc1F LS10242 [0,1,0,0,0,0|2,0,0]=3 210 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,1,0,0,0,0|2,0,0]=3 211 B10R1.61 Cc1c(cccn1)C(=O)N LS20770 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.61 Cc1c(cccn1)C(=O)O LS20435 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,1,0,0,0,0|2,0,0]=3 214 B10R1.61 Cc1cccnc1C(=O)O LS20983 [0,1,0,0,0,0|3,0,0]=4 215 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,1,0,0,0,0|3,0,0]=4 216 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [0,1,0,0,0,0|3,0,0]=4 220 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.245 COc1c(cccc1Br)Br LS11344 [0,1,0,0,0,0|1,0,0]=2 223 B10R1.245 COc1c(cccc1Br)F LS11343 [0,1,0,0,0,0|1,0,0]=2 224 B10R1.245 COc1c(cccc1Cl)F LS10027 [0,1,0,0,0,0|1,0,0]=2 225 B10R1.245 COc1c(cccc1F)N LS10380 [0,1,0,0,0,0|1,0,0]=2 226 B10R1.245 COc1c(cccc1I)F LS10378 [0,1,0,0,0,0|1,0,0]=2 227 B10R1.245 COc1c(ncnc1O)O LS20087 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.245 Cc1cccc(c1C#N)F LS10263 [0,1,0,0,0,0|2,0,0]=3 229 B10R1.245 Cc1cccc(c1CCl)C LS10100 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.245 Cc1ccnc(c1C#N)Cl LS20085 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.245 Cc1ccnc(c1C#N)O LS20086 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.245 c1cc(c(c(c1)Br)C#N)N LS10151 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.245 c1cc(c(c(c1)Br)C=O)F LS11299 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.245 c1cc(c(c(c1)Br)CO)F LS11306 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl LS11439 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.245 c1cc(c(c(c1)Cl)C#N)N LS11438 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl LS11221 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl LS11271 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.245 c1cc(c(c(c1)Cl)CO)F LS11277 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.245 c1cc(c(c(c1)F)C#N)F LS11440 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.245 c1cc(c(c(c1)F)CBr)F LS10251 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.245 c1cc(c(c(c1)F)CCl)F LS11266 [0,1,0,0,0,0|3,0,0]=4 247 B10R1.245 c1cc(c(c(c1)F)CN)F LS11224 [0,1,0,0,0,0|3,0,0]=4 248 B10R1.245 c1cc(c(c(c1)F)CO)F LS11272 [0,1,0,0,0,0|3,0,0]=4 249 B10R1.245 c1cc(c(c(c1)I)C#N)Cl LS10439 [0,1,0,0,0,0|3,0,0]=4 250 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [0,0,0,1,0,0|2,0,0]=3 251 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [0,0,0,1,0,0|1,0,1]=3 252 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [0,0,0,1,0,0|2,0,0]=3 253 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [0,0,0,1,0,0|1,0,0]=2 254 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [0,0,0,1,0,0|0,1,2]=4 255 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [0,0,0,1,0,0|2,0,1]=4 256 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [0,0,0,1,0,0|3,0,0]=4 257 B8R1.11 Cc1ccsc1C=O LS20658 [0,0,0,0,1,0|3,0,0]=4 258 B7R1.3 c1cc(cnc1)Br LS20426 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 c1cc(cnc1)F LS20779 [2,0,0,0,0,0|2,0,0]=4 260 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [2,0,0,0,0,0|1,0,1]=4 261 B7R1.3 c1ccnc(c1)Br LS20874 [2,0,0,0,0,0|2,0,0]=4 262 B7R1.3 c1ccnc(c1)F LS20778 [2,0,0,0,0,0|2,0,0]=4 263 B7R1.3 c1ccnc(c1)N LS20582 [2,0,0,0,0,0|2,0,0]=4 264 B7R1.3 c1cnccc1F LS40545 [2,0,0,0,0,0|2,0,0]=4 265 B7R1.3 c1cnccc1N LS20499 [2,0,0,0,0,0|2,0,0]=4 266 B7R1.3 c1cnccc1O LS21099 [2,0,0,0,0,0|1,0,0]=3 267 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,1,0,0,0,0|1,0,1]=4 268 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,1,0,0,0,0|1,0,1]=4 269 B9R1.1 CCc1ccc(cc1)F LS11765 [1,1,0,0,0,0|1,0,0]=3 270 B9R1.1 CCc1ccc(cn1)Br LS21179 [1,1,0,0,0,0|2,0,0]=4 271 B9R1.1 COc1ccc(cc1)O LS10474 [1,1,0,0,0,0|0,0,0]=2 272 B9R1.1 COc1ccc(cc1)S LS11831 [1,1,0,0,0,0|0,0,0]=2 273 B9R1.1 COc1ccc(cn1)Br LS21039 [1,1,0,0,0,0|1,0,0]=3 274 B9R1.1 COc1ccc(cn1)F LS20238 [1,1,0,0,0,0|1,0,0]=3 275 B9R1.1 COc1ccc(cn1)N LS20615 [1,1,0,0,0,0|1,0,0]=3 276 B9R1.1 COc1ccc(nc1)Cl LS20524 [1,1,0,0,0,0|1,0,0]=3 277 B9R1.1 COc1ncc(cn1)N LS21217 [1,1,0,0,0,0|2,0,0]=4 278 B9R1.1 Cc1ccc(cc1)C#C LS10578 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.1 Cc1ccc(cc1)CBr LS11264 [1,1,0,0,0,0|2,0,0]=4 280 B9R1.1 Cc1ccc(cc1)CN LS11220 [1,1,0,0,0,0|2,0,0]=4 281 B9R1.1 Cc1ccc(cc1)CO LS11273 [1,1,0,0,0,0|2,0,0]=4 282 B9R1.1 Cc1ccc(nc1)OC LS20323 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.1 c1cc(ccc1C#N)Br LS11574 [1,1,0,0,0,0|2,0,0]=4 284 B9R1.1 c1cc(ccc1C#N)F LS10440 [1,1,0,0,0,0|2,0,0]=4 285 B9R1.1 c1cc(ccc1C#N)N LS10115 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.1 c1cc(ccc1CBr)Br LS11427 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.1 c1cc(ccc1CBr)F LS10228 [1,1,0,0,0,0|2,0,0]=4 289 B9R1.1 c1cc(ccc1CBr)I LS11269 [1,1,0,0,0,0|2,0,0]=4 290 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [1,1,0,0,0,0|2,0,0]=4 291 B9R1.1 c1cc(ccc1CO)I LS11275 [1,1,0,0,0,0|2,0,0]=4 292 B9R1.1 c1cc(ccc1CO)N LS10779 [1,1,0,0,0,0|2,0,0]=4 293 B9R1.1 c1cc(ccc1NN)F LS10358 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 C#Cc1cccc(c1)N LS10320 [1,1,0,0,0,0|1,0,1]=4 295 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,1,0,0,0,0|1,0,1]=4 296 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,1,0,0,0,0|1,0,1]=4 297 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,1,0,0,0,0|1,0,1]=4 298 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,1,0,0,0,0|1,0,0]=3 299 B9R1.2 COc1cc(ccn1)Br LS21151 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.2 COc1cc(ccn1)Cl LS20320 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.2 COc1cc(ccn1)N LS20329 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.2 COc1cc(nnc1)Cl LS21025 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.2 COc1cccc(n1)Cl LS20709 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.2 COc1cccc(n1)N LS20232 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,1,0,0,0,0|2,0,0]=4 306 B9R1.2 Cc1cccc(c1)CBr LS11263 [1,1,0,0,0,0|2,0,0]=4 307 B9R1.2 Cc1cccc(c1)CCl LS11215 [1,1,0,0,0,0|2,0,0]=4 308 B9R1.2 Cc1cccc(c1)CN LS11219 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.2 c1cc(cc(c1)F)CO LS11387 [1,1,0,0,0,0|2,0,0]=4 311 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,1,0,0,0,0|2,0,0]=4 312 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [1,1,0,0,0,0|2,0,0]=4 313 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,1,0,0,0,0|2,0,0]=4 314 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,1,0,0,0,0|2,0,0]=4 315 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,1,0,0,0,0|2,0,0]=4 316 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,1,0,0,0,0|1,0,0]=3 318 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,1,0,0,0,0|2,0,0]=4 319 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,1,0,0,0,0|2,0,0]=4 320 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,1,0,0,0,0|2,0,0]=4 321 B9R1.8 CNNc1ccccc1 LS10173 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.8 c1ccc(cc1)CCN LS10634 [1,1,0,0,0,0|1,0,0]=3 323 B9R1.8 c1ccc(cc1)CCN LS10635 [1,1,0,0,0,0|1,0,0]=3 324 B9R1.8 c1ccc(cc1)CNO LS11836 [1,1,0,0,0,0|2,0,0]=4 325 B9R1.8 c1ccc(cc1)CNO LS40338 [1,1,0,0,0,0|2,0,0]=4 326 B9R1.8 c1ccc(cc1)CON LS40003 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,1,0,0,0,0|0,1,1]=4 328 B9R1.8 c1cnccc1CCN LS21103 [1,1,0,0,0,0|2,0,0]=4 329 B9R1.3 Cc1c(cccc1Br)F LS11797 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.3 Cc1c(cccc1Br)N LS00021 [1,1,0,0,0,0|1,0,0]=3 331 B9R1.3 Cc1c(cccc1Cl)N LS11413 [1,1,0,0,0,0|1,0,0]=3 332 B9R1.3 Cc1c(cccc1F)N LS10456 [1,1,0,0,0,0|1,0,0]=3 333 B9R1.3 Cc1c(cccc1F)O LS11582 [1,1,0,0,0,0|0,0,0]=2 334 B9R1.3 Cc1c(cccc1O)N LS11805 [1,1,0,0,0,0|0,0,0]=2 335 B9R1.3 Cc1c(cccc1O)O LS10121 [1,1,0,0,0,0|0,0,0]=2 336 B9R1.3 Cc1c(ccnc1Cl)I LS20852 [1,1,0,0,0,0|2,0,0]=4 337 B9R1.3 Cc1c(ccnc1F)I LS20345 [1,1,0,0,0,0|2,0,0]=4 338 B9R1.3 Cc1c(cncc1Cl)Cl LS20002 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.3 Cc1cccc(c1C)Br LS11762 [1,1,0,0,0,0|0,0,0]=2 340 B9R1.3 Cc1cccc(c1F)O LS10317 [1,1,0,0,0,0|1,0,0]=3 341 B9R1.3 Cc1cccc(c1I)F LS10535 [1,1,0,0,0,0|1,0,0]=3 342 B9R1.3 Cc1cccc(c1N)Cl LS10715 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.3 Cc1cccc(c1N)F LS10282 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.3 Cc1cccc(c1O)Cl LS10669 [1,1,0,0,0,0|0,0,0]=2 345 B9R1.3 Cc1ccnc(c1Br)Cl LS20496 [1,1,0,0,0,0|2,0,0]=4 346 B9R1.3 Cc1ccnc(c1N)Br LS20512 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl LS11372 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.3 c1cc(c(c(c1)Br)Cl)O LS10087 [1,1,0,0,0,0|1,0,0]=3 349 B9R1.3 c1cc(c(c(c1)Br)F)N LS10570 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.3 c1cc(c(c(c1)Br)N)Br LS11641 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.3 c1cc(c(c(c1)Br)O)Br LS11453 [1,1,0,0,0,0|1,0,0]=3 352 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl LS11199 [1,1,0,0,0,0|2,0,0]=4 353 B9R1.3 c1cc(c(c(c1)Cl)Cl)O LS11389 [1,1,0,0,0,0|1,0,0]=3 354 B9R1.3 c1cc(c(c(c1)Cl)F)F LS10287 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.3 c1cc(c(c(c1)Cl)F)O LS10395 [1,1,0,0,0,0|1,0,0]=3 356 B9R1.3 c1cc(c(c(c1)Cl)I)N LS10555 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.3 c1cc(c(c(c1)Cl)O)Cl LS10077 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.3 c1cc(c(c(c1)Cl)O)F LS10396 [1,1,0,0,0,0|1,0,0]=3 359 B9R1.3 c1cc(c(c(c1)F)Br)N LS10453 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.3 c1cc(c(c(c1)F)Cl)N LS11496 [1,1,0,0,0,0|2,0,0]=4 361 B9R1.3 c1cc(c(c(c1)F)Cl)O LS10193 [1,1,0,0,0,0|1,0,0]=3 362 B9R1.3 c1cc(c(c(c1)F)I)N LS10450 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.3 c1cc(c(c(c1)F)O)F LS11403 [1,1,0,0,0,0|1,0,0]=3 364 B9R1.3 c1cc(c(c(c1)F)O)O LS10021 [1,1,0,0,0,0|1,0,0]=3 365 B9R1.3 c1cc(c(c(c1)I)Cl)Cl LS11545 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.3 c1cc(c(c(c1)I)N)Cl LS00034 [1,1,0,0,0,0|2,0,0]=4 367 B9R1.3 c1cc(c(c(c1)I)O)O LS10698 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.3 c1cc(c(c(c1)O)F)O LS10311 [1,1,0,0,0,0|1,0,0]=3 369 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [1,1,0,0,0,0|1,0,0]=3 370 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [1,1,0,0,0,0|1,0,0]=3 371 B9R1.69 Cc1c(cc(cn1)Br)Br LS20041 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.69 Cc1c(ccc(n1)Br)Br LS20405 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.69 Cc1c(ccc(n1)Br)F LS20735 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.69 Cc1c(ccc(n1)Br)N LS20743 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.69 Cc1c(ccc(n1)Cl)Br LS20733 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.69 Cc1c(ccc(n1)Cl)F LS20355 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.69 Cc1c(ccc(n1)Cl)N LS20510 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.69 Cc1c(ccc(n1)N)Br LS20737 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [1,1,0,0,0,0|2,0,0]=4 381 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [1,1,0,0,0,0|2,0,0]=4 382 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.69 Cc1cc(ccc1Br)F LS10433 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.69 Cc1cc(ccc1Br)O LS10569 [1,1,0,0,0,0|1,0,0]=3 385 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [1,1,0,0,0,0|1,0,0]=3 386 B9R1.69 Cc1cc(ccc1F)N LS10454 [1,1,0,0,0,0|1,0,0]=3 387 B9R1.69 Cc1cc(ccc1O)Br LS10229 [1,1,0,0,0,0|0,0,0]=2 388 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [1,1,0,0,0,0|0,0,0]=2 389 B9R1.69 Cc1cc(cnc1Br)Br LS20558 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.69 Cc1cc(cnc1Br)Cl LS20774 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.69 Cc1cc(cnc1Br)F LS20363 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.69 Cc1cc(cnc1Cl)F LS20354 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.69 Cc1cc(cnc1F)N LS20741 [1,1,0,0,0,0|2,0,0]=4 394 B9R1.69 Cc1cc(cnc1F)O LS20344 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.69 Cc1cc(cnc1N)Br LS20513 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.69 Cc1cc(cnc1O)Br LS20335 [1,1,0,0,0,0|1,0,0]=3 397 B9R1.69 Cc1cc(ncc1Br)F LS20411 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.69 Cc1cc(ncc1Br)N LS20447 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.69 Cc1cc(ncc1Cl)N LS20372 [1,1,0,0,0,0|2,0,0]=4 400 B9R1.69 Cc1cc(ncc1N)Br LS20366 [1,1,0,0,0,0|2,0,0]=4 401 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [1,1,0,0,0,0|1,0,0]=3 403 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [1,1,0,0,0,0|1,0,0]=3 404 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [1,1,0,0,0,0|2,0,0]=4 406 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [1,1,0,0,0,0|2,0,0]=4 407 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [1,1,0,0,0,0|2,0,0]=4 408 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.69 Cc1ccc(cc1Br)F LS10434 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.69 Cc1ccc(cc1F)N LS10457 [1,1,0,0,0,0|1,0,0]=3 413 B9R1.69 Cc1ccc(cc1N)Br LS10331 [1,1,0,0,0,0|1,0,0]=3 414 B9R1.69 Cc1ccc(cc1N)F LS10455 [1,1,0,0,0,0|1,0,0]=3 415 B9R1.69 Cc1ccc(nc1Cl)Cl LS20613 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.69 Cc1cnc(cc1I)F LS20495 [1,1,0,0,0,0|2,0,0]=4 418 B9R1.69 c1c(cnc(c1Br)O)F LS20211 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.69 c1c(cnc(c1N)O)Br LS20340 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [1,1,0,0,0,0|1,0,0]=3 423 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [1,1,0,0,0,0|2,0,0]=4 428 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [1,1,0,0,0,0|2,0,0]=4 429 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [1,1,0,0,0,0|2,0,0]=4 430 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [1,1,0,0,0,0|2,0,0]=4 431 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [1,1,0,0,0,0|2,0,0]=4 432 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [1,1,0,0,0,0|1,0,0]=3 433 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [1,1,0,0,0,0|1,0,0]=3 434 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [1,1,0,0,0,0|1,0,0]=3 435 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [1,1,0,0,0,0|1,0,0]=3 436 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [1,1,0,0,0,0|1,0,0]=3 437 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [1,1,0,0,0,0|2,0,0]=4 438 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [1,1,0,0,0,0|2,0,0]=4 440 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [1,1,0,0,0,0|2,0,0]=4 441 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [1,1,0,0,0,0|1,0,0]=3 442 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [1,1,0,0,0,0|1,0,0]=3 443 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [1,1,0,0,0,0|2,0,0]=4 444 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [1,1,0,0,0,0|1,0,0]=3 445 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [1,1,0,0,0,0|1,1,0]=4 446 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.69 c1cc(c(cc1F)N)O LS10399 [1,1,0,0,0,0|1,0,0]=3 448 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [1,1,0,0,0,0|1,0,0]=3 449 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [1,1,0,0,0,0|1,0,0]=3 450 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.69 c1cc(c(cc1I)F)N LS10451 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [1,1,0,0,0,0|2,0,0]=4 453 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [1,1,0,0,0,0|2,0,0]=4 456 B9R1.69 c1cc(c(cc1N)F)I LS10449 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [1,1,0,0,0,0|1,0,0]=3 458 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [1,1,0,0,0,0|2,0,0]=4 460 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [1,1,0,0,0,0|1,0,0]=3 461 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [1,1,0,0,0,0|2,0,0]=4 462 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.69 c1cc(c(cc1O)F)N LS00146 [1,1,0,0,0,0|2,0,0]=4 464 B9R1.69 c1cc(c(cc1O)F)O LS00052 [1,1,0,0,0,0|1,0,0]=3 465 B9R1.69 c1cc(c(cc1O)N)F LS10007 [1,1,0,0,0,0|2,0,0]=4 466 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [1,1,0,0,0,0|1,0,0]=3 467 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [1,1,0,0,0,0|2,0,0]=4 468 B11R1.13 Cc1c(cccc1F)N=C=O LS10694 [0,2,0,0,0,0|1,0,1]=4 469 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO LS11243 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.159 B(c1cccc(c1C)C)(O)O LS10927 [0,2,0,0,0,0|2,0,0]=4 471 B11R1.159 B(c1cccc(c1C)F)(O)O LS11009 [0,2,0,0,0,0|2,0,0]=4 472 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,2,0,0,0,0|2,0,0]=4 473 B11R1.159 CC(c1cccc(c1F)Br)O LS11305 [0,2,0,0,0,0|2,0,0]=4 474 B11R1.159 Cc1c(cccc1F)C(=O)O LS10580 [0,2,0,0,0,0|2,0,0]=4 475 B11R1.159 Cc1c(cccc1I)C(=O)O LS10045 [0,2,0,0,0,0|2,0,0]=4 476 B11R1.159 Cc1c(cccc1O)[N+](=O)[O-] LS11806 [0,2,0,0,0,0|2,0,0]=4 477 B11R1.159 Cc1cccc(c1C)C(=O)O LS11825 [0,2,0,0,0,0|2,0,0]=4 478 B11R1.267 CCc1cccc(c1O)CC LS11742 [0,2,0,0,0,0|2,0,0]=4 479 B11R1.267 COc1cccc(c1F)C#N LS10265 [0,2,0,0,0,0|1,0,0]=3 480 B11R1.267 COc1cccc(c1F)C=O LS10125 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.41 COc1ccccc1CCO LS11834 [0,2,0,0,0,0|0,0,0]=2 482 B11R1.81 CCOc1ccc(cc1N)N LS11503 [0,2,0,0,0,0|1,0,0]=3 483 B11R1.81 CNCc1ccc(cc1Cl)Cl LS10751 [0,2,0,0,0,0|2,0,0]=4 484 B11R1.81 c1cc(c(cc1Cl)Cl)CCN LS11233 [0,2,0,0,0,0|2,0,0]=4 485 B11R1.81 c1cc(c(cc1Cl)Cl)CCO LS11244 [0,2,0,0,0,0|2,0,0]=4 486 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,2,0,0,0,0|2,0,0]=4 487 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,2,0,0,0,0|2,0,0]=4 488 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,2,0,0,0,0|2,0,0]=4 490 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,2,0,0,0,0|2,0,0]=4 491 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,2,0,0,0,0|1,0,0]=3 492 B11R1.222 COC(=O)c1cccnc1N LS20032 [0,2,0,0,0,0|2,0,0]=4 493 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,2,0,0,0,0|1,0,0]=3 494 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl LS11234 [0,2,0,0,0,0|2,0,0]=4 495 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl LS11242 [0,2,0,0,0,0|2,0,0]=4 496 B11R1.605 c1cc(c(c(c1)Cl)CCO)F LS11251 [0,2,0,0,0,0|2,0,0]=4 497 B11R1.605 c1cc(c(c(c1)F)CCN)F LS11235 [0,2,0,0,0,0|2,0,0]=4 498 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [0,2,0,0,0,0|0,0,1]=3 499 B11R1.37 COc1cc(ccc1C=O)F LS10599 [0,2,0,0,0,0|0,0,1]=3 500 B11R1.37 COc1ccc(cc1C=O)Cl LS10412 [0,2,0,0,0,0|0,0,1]=3 501 B11R1.53 B(c1ccccc1CBr)(O)O LS10791 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.53 B(c1ccccc1CC)(O)O LS10539 [0,2,0,0,0,0|2,0,0]=4 503 B11R1.53 B(c1ccccc1CO)(O)O LS10798 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.53 B(c1ccccc1OC)(O)O LS10801 [0,2,0,0,0,0|1,0,0]=3 505 B11R1.53 B(c1ccccc1SC)(O)O LS00116 [0,2,0,0,0,0|1,1,0]=4 506 B11R1.53 B(c1cccnc1OC)(O)O LS20388 [0,2,0,0,0,0|2,0,0]=4 507 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,2,0,0,0,0|0,0,1]=3 508 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,2,0,0,0,0|0,0,1]=3 509 B11R1.166 B(c1ccc(cc1C)C)(O)O LS10933 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.166 B(c1ccc(cc1C)Cl)(O)O LS11030 [0,2,0,0,0,0|2,0,0]=4 511 B11R1.166 B(c1ccc(cc1C)F)(O)O LS11036 [0,2,0,0,0,0|2,0,0]=4 512 B11R1.166 B(c1ccc(cc1C)O)(O)O LS11044 [0,2,0,0,0,0|2,0,0]=4 513 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,2,0,0,0,0|2,0,0]=4 514 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,2,0,0,0,0|2,0,0]=4 515 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,2,0,0,0,0|2,0,0]=4 516 B11R1.166 CN(C)c1ccc(cc1Cl)Br LS10231 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.166 Cc1cc(ccc1C(=O)O)F LS10581 [0,2,0,0,0,0|2,0,0]=4 518 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [0,2,0,0,0,0|1,0,0]=3 519 B11R1.166 Cc1cc(ccc1[N+](=O)[O-])F LS11421 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.277 COc1cc(c(cc1Cl)Cl)N LS10683 [0,2,0,0,0,0|1,0,0]=3 521 B11R1.277 Cc1cc(c(cc1O)C)C=O LS10195 [0,2,0,0,0,0|2,0,0]=4 522 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [0,2,0,0,0,0|1,0,0]=3 523 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [0,2,0,0,0,0|1,0,0]=3 524 B11R1.279 COc1ccc(cc1O)C#N LS11706 [0,2,0,0,0,0|1,0,0]=3 525 B11R1.279 COc1ccc(cc1O)C=O LS10550 [0,2,0,0,0,0|1,0,0]=3 526 B11R1.464 Cc1cc(c(c(c1)C)C=O)C LS10375 [0,2,0,0,0,0|2,0,0]=4 527 B11R1.464 Cc1cc(cc(c1C#N)C)O LS11717 [0,2,0,0,0,0|2,0,0]=4 528 B11R1.464 Cc1cc(cc(c1C#N)Cl)Cl LS11642 [0,2,0,0,0,0|2,0,0]=4 529 B11R1.464 Cc1cc(cc(c1C=O)Br)F LS10511 [0,2,0,0,0,0|2,0,0]=4 530 B11R1.464 Cc1cc(cc(c1C=O)C)O LS10368 [0,2,0,0,0,0|2,0,0]=4 531 B11R1.464 Cc1cc(cc(c1OC)C)Br LS10411 [0,2,0,0,0,0|0,0,0]=2 532 B11R1.167 B(c1cc(ccc1C)C)(O)O LS10937 [0,2,0,0,0,0|2,0,0]=4 533 B11R1.167 B(c1cc(ccc1C)Cl)(O)O LS11051 [0,2,0,0,0,0|2,0,0]=4 534 B11R1.167 B(c1cc(ccc1C)F)(O)O LS11054 [0,2,0,0,0,0|2,0,0]=4 535 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,2,0,0,0,0|2,0,0]=4 536 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,2,0,0,0,0|2,0,0]=4 537 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,2,0,0,0,0|2,0,0]=4 538 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,2,0,0,0,0|2,0,0]=4 539 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,2,0,0,0,0|2,0,0]=4 540 B11R1.167 Cc1ccc(cc1C(=O)O)Br LS10562 [0,2,0,0,0,0|2,0,0]=4 541 B11R1.167 Cc1ccc(cc1C(=O)O)F LS10582 [0,2,0,0,0,0|2,0,0]=4 542 B11R1.167 Cc1ccc(cc1C(=O)O)I LS11399 [0,2,0,0,0,0|2,0,0]=4 543 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])Cl LS10692 [0,2,0,0,0,0|2,0,0]=4 544 B11R1.167 Cc1ccc(cc1[N+](=O)[O-])O LS10704 [0,2,0,0,0,0|2,0,0]=4 545 B11R1.280 CCc1cc(ccc1N)C#N LS10564 [0,2,0,0,0,0|2,0,0]=4 546 B11R1.280 COc1cc(ccc1F)C=O LS10503 [0,2,0,0,0,0|1,0,0]=3 547 B11R1.280 COc1cc(ccc1O)C#N LS11702 [0,2,0,0,0,0|1,0,0]=3 548 B11R1.280 COc1cc(ccc1O)CN LS11401 [0,2,0,0,0,0|1,0,0]=3 549 B11R1.87 Cc1ccccc1C(F)(F)F LS10424 [0,2,0,0,0,0|2,0,0]=4 550 B11R1.87 Cc1ccccc1S(=O)(=O)N LS10653 [0,2,0,0,0,0|1,1,0]=4 551 B11R1.156 B(c1c(cccc1C)C)(O)O LS10942 [0,2,0,0,0,0|2,0,0]=4 552 B11R1.156 CC(=O)c1c(cccc1Br)F LS11304 [0,2,0,0,0,0|2,0,0]=4 553 B11R1.156 CC(=O)c1c(cccc1F)F LS11166 [0,2,0,0,0,0|2,0,0]=4 554 B11R1.156 Cc1cccc(c1C(=O)O)O LS10070 [0,2,0,0,0,0|2,0,0]=4 555 B9R1.11 COC(=O)c1ccc[nH]1 LS20248 [0,0,1,1,0,0|2,0,0]=4 556 B11R2.106 Cc1cccc2c1[nH]cc2 LS20946 [0,1,0,1,0,0|1,0,1]=4 557 B11R2.106 c1cc2c(c(c1)Br)CNC2 LS20869 [0,1,0,1,0,0|2,0,0]=4 558 B11R2.106 c1cc2c(c(c1)I)OCO2 LS40633 [0,1,0,1,0,0|1,0,0]=3 559 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,1,0,1,0,0|1,0,0]=3 560 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,1,0,1,0,0|0,0,1]=3 561 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [0,1,0,1,0,0|1,0,0]=3 562 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,1,0,1,0,0|1,0,0]=3 563 B11R2.10 c1ccc2c(c1)nc(o2)S LS40249 [0,1,0,1,0,0|1,0,1]=4 564 B11R2.20 c1cc2c(nc1)CCCC2 LS40266 [0,1,0,1,0,0|2,0,0]=4 565 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [0,1,0,1,0,0|1,0,0]=3 566 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,1,0,1,0,0|0,0,0]=2 567 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,1,0,1,0,0|1,0,0]=3 568 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,1,0,1,0,0|1,0,0]=3 569 B11R2.36 c1cc2c(cc1Br)CCN2 LS20952 [0,1,0,1,0,0|1,0,0]=3 570 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [0,1,0,1,0,0|0,0,0]=2 571 B11R2.36 c1cc2c(cc1Br)CNC2 LS20867 [0,1,0,1,0,0|2,0,0]=4 572 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [0,1,0,1,0,0|1,0,0]=3 573 B11R2.36 c1cc2c(cc1Cl)CCN2 LS20157 [0,1,0,1,0,0|1,0,0]=3 574 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [0,1,0,1,0,0|0,0,0]=2 575 B11R2.36 c1cc2c(cc1N)CNC2 LS40052 [0,1,0,1,0,0|2,0,0]=4 576 B7R1.4 Cc1c(nc[nH]1)C LS20271 [1,0,0,0,1,0|2,0,0]=4 577 B7R1.4 Cc1ccsc1Br LS20654 [1,0,0,0,1,0|2,0,0]=4 578 B7R1.4 Cc1ccsc1Cl LS20652 [1,0,0,0,1,0|2,0,0]=4