0 B9R1.15 C=Cc1ccccc1Br LS11653 [0,0,0,0,0,0|1,0,2]=3 1 B9R1.15 C=Cc1ccccc1Cl LS11654 [0,0,0,0,0,0|1,0,2]=3 2 B9R1.15 C=Cc1ccccc1F LS11647 [0,0,0,0,0,0|1,0,2]=3 3 B9R1.15 CCc1c(cncn1)F LS20618 [0,0,0,0,0,0|3,0,0]=3 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|3,0,0]=3 7 B9R1.15 COc1cccnc1Br LS20368 [0,0,0,0,0,0|3,0,0]=3 8 B9R1.15 COc1cncnc1N LS20720 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.15 CSc1ccccc1Br LS11369 [0,0,0,0,0,0|2,0,0]=2 10 B9R1.15 Cc1ccccc1C#C LS11393 [0,0,0,0,0,0|1,0,2]=3 11 B9R1.15 Cc1ccccc1C=O LS11852 [0,0,0,0,0,0|2,0,1]=3 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|3,0,1]=4 16 B9R1.15 c1cc(c(nc1)C#N)Br LS20446 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.15 c1cc(c(nc1)C#N)I LS20062 [0,0,0,0,0,0|3,0,1]=4 18 B9R1.15 c1cc(c(nc1)C=O)O LS20166 [0,0,0,0,0,0|2,1,1]=4 19 B9R1.15 c1cc(c(nc1)CO)O LS20165 [0,0,0,0,0,0|2,1,0]=3 20 B9R1.15 c1cc(c(nc1)Cl)C=O LS20395 [0,0,0,0,0,0|3,0,1]=4 21 B9R1.15 c1cc(c(nc1)Cl)CO LS20227 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.15 c1cc(c(nc1)N)C#N LS20375 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.15 c1cc(c(nc1)N)C=O LS41434 [0,0,0,0,0,0|3,0,1]=4 24 B9R1.15 c1cc(c(nc1)N)CO LS41435 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.15 c1cc(c(nc1)O)C#N LS20339 [0,0,0,0,0,0|2,1,1]=4 26 B9R1.15 c1cc(c(nc1)O)C=O LS21175 [0,0,0,0,0,0|2,1,1]=4 27 B9R1.15 c1ccc(c(c1)C#N)Br LS11428 [0,0,0,0,0,0|2,0,1]=3 28 B9R1.15 c1ccc(c(c1)C#N)O LS10639 [0,0,0,0,0,0|1,1,1]=3 29 B9R1.15 c1ccc(c(c1)C=O)N LS10114 [0,0,0,0,0,0|2,0,1]=3 30 B9R1.15 c1ccc(c(c1)CBr)F LS11504 [0,0,0,0,0,0|2,0,0]=2 31 B9R1.15 c1ccc(c(c1)CBr)I LS11268 [0,0,0,0,0,0|2,0,0]=2 32 B9R1.15 c1ccc(c(c1)CN)Br LS11216 [0,0,0,0,0,0|2,0,0]=2 33 B9R1.15 c1ccc(c(c1)CO)F LS11270 [0,0,0,0,0,0|2,0,0]=2 34 B9R1.15 c1ccc(c(c1)CO)I LS11276 [0,0,0,0,0,0|2,0,0]=2 35 B9R1.15 c1ccc(c(c1)CO)N LS10594 [0,0,0,0,0,0|2,0,0]=2 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|3,0,1]=4 39 B9R1.15 c1cncc(c1C=O)Br LS20109 [0,0,0,0,0,0|3,0,1]=4 40 B8R1.2 C#Cc1ccccc1 LS10701 [1,0,0,0,0,0|0,0,2]=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|2,0,1]=4 43 B8R1.2 c1ccc(cc1)C=O LS41490 [1,0,0,0,0,0|1,0,1]=3 44 B8R1.2 c1ccc(cc1)CO LS41488 [1,0,0,0,0,0|1,0,0]=2 45 B8R1.2 c1cnc(cn1)CN LS20127 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.2 c1cnc(cn1)CN LS20128 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.2 c1cnccc1C=O LS20943 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.2 c1cnccc1CN LS20857 [1,0,0,0,0,0|2,0,0]=3 49 B8R1.2 c1cnccc1NN LS20045 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.5 Cc1c(cccn1)Br LS20529 [1,0,0,0,0,0|2,0,0]=3 51 B8R1.5 Cc1c(cccn1)F LS00100 [1,0,0,0,0,0|2,0,0]=3 52 B8R1.5 Cc1c(cccn1)O LS20321 [1,0,0,0,0,0|1,1,0]=3 53 B8R1.5 Cc1c(cncn1)Br LS20023 [1,0,0,0,0,0|3,0,0]=4 54 B8R1.5 Cc1c(cncn1)Cl LS21219 [1,0,0,0,0,0|3,0,0]=4 55 B8R1.5 Cc1c(nccn1)Cl LS20451 [1,0,0,0,0,0|3,0,0]=4 56 B8R1.5 Cc1ccccc1Cl LS11417 [1,0,0,0,0,0|1,0,0]=2 57 B8R1.5 Cc1cccnc1Br LS20246 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.5 Cc1cccnc1F LS20403 [1,0,0,0,0,0|2,0,0]=3 59 B8R1.5 Cc1cccnc1N LS20579 [1,0,0,0,0,0|2,0,0]=3 60 B8R1.5 Cc1cccnc1O LS20286 [1,0,0,0,0,0|1,1,0]=3 61 B8R1.5 Cc1ccncc1Br LS20222 [1,0,0,0,0,0|2,0,0]=3 62 B8R1.5 Cc1ccncc1F LS20260 [1,0,0,0,0,0|2,0,0]=3 63 B8R1.5 Cc1ccncc1N LS20500 [1,0,0,0,0,0|2,0,0]=3 64 B8R1.5 Cc1cnccc1Br LS20316 [1,0,0,0,0,0|2,0,0]=3 65 B8R1.5 Cc1cnccc1Cl LS20243 [1,0,0,0,0,0|2,0,0]=3 66 B8R1.5 Cc1cncnc1Cl LS20953 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.5 Cn1ccccc1=O LS40391 [1,0,0,0,0,0|1,1,0]=3 68 B8R1.5 c1cc(c(nc1)Br)Br LS20191 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.5 c1cc(c(nc1)Br)F LS20948 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.5 c1cc(c(nc1)Br)N LS20186 [1,0,0,0,0,0|3,0,0]=4 71 B8R1.5 c1cc(c(nc1)Cl)Cl LS20542 [1,0,0,0,0,0|3,0,0]=4 72 B8R1.5 c1cc(c(nc1)Cl)F LS20427 [1,0,0,0,0,0|3,0,0]=4 73 B8R1.5 c1cc(c(nc1)Cl)I LS20536 [1,0,0,0,0,0|3,0,0]=4 74 B8R1.5 c1cc(c(nc1)F)Br LS20414 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.5 c1cc(c(nc1)F)F LS20846 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.5 c1cc(c(nc1)I)N LS20187 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.5 c1cc(c(nc1)N)Br LS20925 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.5 c1cc(c(nc1)N)F LS20418 [1,0,0,0,0,0|3,0,0]=4 79 B8R1.5 c1cc(c(nc1)N)N LS20494 [1,0,0,0,0,0|3,0,0]=4 80 B8R1.5 c1cc[n+](c(c1)Cl)[O-] LS21129 [1,0,0,0,0,0|2,1,0]=4 81 B8R1.5 c1ccc(c(c1)Br)Br LS11475 [1,0,0,0,0,0|2,0,0]=3 82 B8R1.5 c1ccc(c(c1)Br)I LS10473 [1,0,0,0,0,0|2,0,0]=3 83 B8R1.5 c1ccc(c(c1)Cl)I LS10577 [1,0,0,0,0,0|2,0,0]=3 84 B8R1.5 c1ccc(c(c1)N)Br LS11448 [1,0,0,0,0,0|2,0,0]=3 85 B8R1.5 c1ccc(c(c1)N)Cl LS11568 [1,0,0,0,0,0|2,0,0]=3 86 B8R1.5 c1ccc(c(c1)N)I LS10537 [1,0,0,0,0,0|2,0,0]=3 87 B8R1.5 c1ccc(c(c1)O)Br LS11447 [1,0,0,0,0,0|1,1,0]=3 88 B8R1.5 c1ccc(c(c1)O)F LS10471 [1,0,0,0,0,0|1,1,0]=3 89 B8R1.5 c1ccc(c(c1)O)I LS00004 [1,0,0,0,0,0|1,1,0]=3 90 B8R1.5 c1ccn(c(=O)c1)O LS21131 [1,0,0,0,0,0|2,1,0]=4 91 B8R1.5 c1cncc(c1Br)Cl LS20493 [1,0,0,0,0,0|3,0,0]=4 92 B8R1.5 c1cncc(c1Cl)Cl LS20322 [1,0,0,0,0,0|3,0,0]=4 93 B8R1.5 c1cncc(c1N)F LS20317 [1,0,0,0,0,0|3,0,0]=4 94 B8R1.5 c1cncc(c1N)N LS00018 [1,0,0,0,0,0|3,0,0]=4 95 B10R1.2 CCc1c(c(ncn1)Cl)F LS20306 [0,1,0,0,0,0|3,0,0]=4 96 B10R1.2 CCc1c(c(ncn1)O)F LS40589 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.2 COc1cccc(c1Cl)N LS10071 [0,1,0,0,0,0|2,0,0]=3 98 B10R1.2 COc1cccc(c1F)Br LS10315 [0,1,0,0,0,0|2,0,0]=3 99 B10R1.2 Cc1c(cccc1Cl)OC LS11764 [0,1,0,0,0,0|2,0,0]=3 100 B10R1.2 Cc1c(cccc1F)C#N LS10445 [0,1,0,0,0,0|2,0,1]=4 101 B10R1.2 Cc1c(cccc1F)C=O LS10501 [0,1,0,0,0,0|2,0,1]=4 102 B10R1.2 Cc1c(cccc1OC)N LS11795 [0,1,0,0,0,0|2,0,0]=3 103 B10R1.2 Cc1c(cccc1OC)N LS11803 [0,1,0,0,0,0|2,0,0]=3 104 B10R1.2 Cc1cccc(c1Cl)C#N LS10020 [0,1,0,0,0,0|2,0,1]=4 105 B10R1.2 Cc1cccc(c1F)C#N LS10264 [0,1,0,0,0,0|2,0,1]=4 106 B10R1.2 Cc1cccc(c1F)C=O LS10502 [0,1,0,0,0,0|2,0,1]=4 107 B10R1.2 c1cc(c(c(c1)Br)F)C=O LS11298 [0,1,0,0,0,0|2,0,1]=4 108 B10R1.2 c1cc(c(c(c1)Br)F)CO LS11308 [0,1,0,0,0,0|2,0,0]=3 109 B10R1.2 c1cc(c(c(c1)Cl)Cl)CBr LS11265 [0,1,0,0,0,0|2,0,0]=3 110 B10R1.2 c1cc(c(c(c1)Cl)Cl)CN LS11222 [0,1,0,0,0,0|2,0,0]=3 111 B10R1.2 c1cc(c(c(c1)Cl)F)C=O LS10517 [0,1,0,0,0,0|2,0,1]=4 112 B10R1.2 c1cc(c(c(c1)Cl)O)C=O LS10135 [0,1,0,0,0,0|1,1,1]=4 113 B10R1.2 c1cc(c(c(c1)F)Br)C=O LS10514 [0,1,0,0,0,0|2,0,1]=4 114 B10R1.2 c1cc(c(c(c1)F)Cl)C=O LS10544 [0,1,0,0,0,0|2,0,1]=4 115 B10R1.2 c1cc(c(c(c1)F)F)C=O LS10508 [0,1,0,0,0,0|2,0,1]=4 116 B10R1.2 c1cc(c(c(c1)F)I)C=O LS10507 [0,1,0,0,0,0|2,0,1]=4 117 B10R1.2 c1cc(c(c(c1)F)O)C=O LS10305 [0,1,0,0,0,0|1,1,1]=4 118 B10R1.2 c1cc(c(c(c1)O)O)C=O LS10648 [0,1,0,0,0,0|1,1,1]=4 119 B10R1.4 C=CCc1ccccc1O LS11683 [0,1,0,0,0,0|0,1,1]=3 120 B10R1.4 CCOc1ccccc1Br LS10370 [0,1,0,0,0,0|1,0,0]=2 121 B10R1.4 Cc1ccccc1CCO LS11237 [0,1,0,0,0,0|1,0,0]=2 122 B10R1.4 c1ccc(c(c1)CCN)Br LS11226 [0,1,0,0,0,0|1,0,0]=2 123 B10R1.4 c1ccc(c(c1)CCN)Cl LS11231 [0,1,0,0,0,0|1,0,0]=2 124 B10R1.4 c1ccc(c(c1)CCO)Br LS11247 [0,1,0,0,0,0|1,0,0]=2 125 B10R1.4 c1ccc(c(c1)CCO)F LS11240 [0,1,0,0,0,0|1,0,0]=2 126 B10R1.4 c1ccc(c(c1)CNN)F LS10154 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.20 CCc1ccccc1C=O LS00084 [0,1,0,0,0,0|0,1,0]=2 128 B10R1.20 COc1c(cccn1)C=O LS21173 [0,1,0,0,0,0|2,1,0]=4 129 B10R1.20 COc1ccccc1CCl LS10029 [0,1,0,0,0,0|1,1,0]=3 130 B10R1.20 COc1ccccc1OC LS11385 [0,1,0,0,0,0|1,1,0]=3 131 B10R1.20 c1ccc(c(c1)C=O)C=O LS11855 [0,1,0,0,0,0|1,1,1]=4 132 B10R1.20 c1ccc(c(c1)CBr)C#N LS10612 [0,1,0,0,0,0|2,0,0]=3 133 B10R1.20 c1ccc(c(c1)CCl)C#N LS11849 [0,1,0,0,0,0|2,0,0]=3 134 B10R1.20 c1ccc(c(c1)CCl)CCl LS10651 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.25 COc1c(cc(cn1)Br)Br LS20333 [0,1,0,0,0,0|3,0,0]=4 136 B10R1.25 COc1c(cc(cn1)Br)Cl LS00025 [0,1,0,0,0,0|3,0,0]=4 137 B10R1.25 COc1c(cc(cn1)Br)F LS20011 [0,1,0,0,0,0|3,0,0]=4 138 B10R1.25 COc1c(cc(cn1)Cl)Br LS20332 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.25 COc1c(cc(cn1)N)Br LS20553 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.25 COc1ccc(cc1Br)N LS10092 [0,1,0,0,0,0|2,0,0]=3 141 B10R1.25 COc1ccc(cc1F)N LS10107 [0,1,0,0,0,0|2,0,0]=3 142 B10R1.25 COc1ccc(cc1F)O LS10467 [0,1,0,0,0,0|2,0,0]=3 143 B10R1.25 COc1ccc(cc1I)N LS10132 [0,1,0,0,0,0|2,0,0]=3 144 B10R1.25 Cc1cc(ccc1C#N)Br LS10274 [0,1,0,0,0,0|2,0,1]=4 145 B10R1.25 Cc1cc(ccc1C=O)F LS10500 [0,1,0,0,0,0|2,0,1]=4 146 B10R1.25 Cc1cc(ccc1C=O)O LS11394 [0,1,0,0,0,0|2,0,1]=4 147 B10R1.25 c1cc(c(cc1Br)Br)CO LS11326 [0,1,0,0,0,0|2,0,0]=3 148 B10R1.25 c1cc(c(cc1Br)Cl)C#N LS11359 [0,1,0,0,0,0|2,0,1]=4 149 B10R1.25 c1cc(c(cc1Br)F)C#N LS11209 [0,1,0,0,0,0|2,0,1]=4 150 B10R1.25 c1cc(c(cc1Br)F)C=O LS10657 [0,1,0,0,0,0|2,0,1]=4 151 B10R1.25 c1cc(c(cc1Br)O)C=O LS10088 [0,1,0,0,0,0|1,1,1]=4 152 B10R1.25 c1cc(c(cc1Cl)Br)C=O LS10197 [0,1,0,0,0,0|2,0,1]=4 153 B10R1.25 c1cc(c(cc1Cl)Cl)CN LS11223 [0,1,0,0,0,0|2,0,0]=3 154 B10R1.25 c1cc(c(cc1Cl)F)C=O LS10509 [0,1,0,0,0,0|2,0,1]=4 155 B10R1.25 c1cc(c(cc1Cl)N)C#N LS11442 [0,1,0,0,0,0|2,0,1]=4 156 B10R1.25 c1cc(c(cc1Cl)O)C=O LS11382 [0,1,0,0,0,0|1,1,1]=4 157 B10R1.25 c1cc(c(cc1F)Br)C=O LS10393 [0,1,0,0,0,0|2,0,1]=4 158 B10R1.25 c1cc(c(cc1F)Cl)C#N LS10355 [0,1,0,0,0,0|2,0,1]=4 159 B10R1.25 c1cc(c(cc1F)Cl)C=O LS11829 [0,1,0,0,0,0|2,0,1]=4 160 B10R1.25 c1cc(c(cc1F)O)C=O LS10219 [0,1,0,0,0,0|1,1,1]=4 161 B10R1.25 c1cc(c(cc1I)F)C#N LS11208 [0,1,0,0,0,0|2,0,1]=4 162 B10R1.25 c1cc(c(cc1N)F)C#N LS11207 [0,1,0,0,0,0|2,0,1]=4 163 B10R1.25 c1cc(c(cc1O)Cl)C#N LS10262 [0,1,0,0,0,0|2,0,1]=4 164 B10R1.25 c1cc(c(cc1O)Cl)C=O LS11740 [0,1,0,0,0,0|2,0,1]=4 165 B10R1.30 CCc1cc(ccc1Cl)O LS10481 [0,1,0,0,0,0|1,0,0]=2 166 B10R1.30 CCc1cc(nnc1Cl)Cl LS20175 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.30 COc1cc(ccc1Br)Br LS10232 [0,1,0,0,0,0|2,0,0]=3 168 B10R1.30 COc1cc(ccc1Cl)I LS10238 [0,1,0,0,0,0|2,0,0]=3 169 B10R1.30 COc1cc(ccc1F)F LS11368 [0,1,0,0,0,0|2,0,0]=3 170 B10R1.30 COc1cc(ccc1F)N LS10127 [0,1,0,0,0,0|2,0,0]=3 171 B10R1.30 COc1cc(ccc1F)O LS10037 [0,1,0,0,0,0|2,0,0]=3 172 B10R1.30 COc1cc(ccc1I)Cl LS10237 [0,1,0,0,0,0|2,0,0]=3 173 B10R1.30 COc1cc(ccc1N)Br LS10476 [0,1,0,0,0,0|2,0,0]=3 174 B10R1.30 COc1cc(ccc1N)I LS10552 [0,1,0,0,0,0|2,0,0]=3 175 B10R1.30 Cc1ccc(c(c1)C#N)F LS10446 [0,1,0,0,0,0|2,0,1]=4 176 B10R1.30 Cc1ccc(c(c1)C=O)Br LS10095 [0,1,0,0,0,0|2,0,1]=4 177 B10R1.30 Cc1ccc(c(c1)CN)C LS10226 [0,1,0,0,0,0|2,0,0]=3 178 B10R1.30 Cc1ccc(c(c1)OC)Br LS10017 [0,1,0,0,0,0|2,0,0]=3 179 B10R1.30 Cc1ccc(c(n1)OC)Br LS20277 [0,1,0,0,0,0|3,0,0]=4 180 B10R1.30 c1c(cnc(c1CO)N)Br LS20257 [0,1,0,0,0,0|3,0,0]=4 181 B10R1.30 c1cc(c(cc1Br)C=O)F LS10392 [0,1,0,0,0,0|2,0,1]=4 182 B10R1.30 c1cc(c(cc1Br)C=O)O LS10727 [0,1,0,0,0,0|1,1,1]=4 183 B10R1.30 c1cc(c(cc1Br)CCl)Cl LS10048 [0,1,0,0,0,0|2,0,0]=3 184 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|2,0,1]=4 186 B10R1.30 c1cc(c(cc1Cl)C=O)O LS11289 [0,1,0,0,0,0|1,1,1]=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|2,0,1]=4 189 B10R1.30 c1cc(c(cc1F)C=O)Br LS10513 [0,1,0,0,0,0|2,0,1]=4 190 B10R1.30 c1cc(c(cc1F)C=O)O LS10505 [0,1,0,0,0,0|1,1,1]=4 191 B10R1.30 c1cc(c(cc1F)CBr)Br LS10492 [0,1,0,0,0,0|2,0,0]=3 192 B10R1.30 c1cc(c(cc1F)CCl)Br LS10493 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.30 c1cc(c(cc1F)CO)Br LS10490 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.30 c1cc(c(cc1I)C#N)Cl LS10438 [0,1,0,0,0,0|2,0,1]=4 195 B10R1.30 c1cc(c(cc1I)C=O)O LS11783 [0,1,0,0,0,0|1,1,1]=4 196 B10R1.30 c1cc(c(cc1O)C=O)F LS10101 [0,1,0,0,0,0|2,0,1]=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|3,0,0]=4 199 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|2,1,0]=4 203 B10R1.61 CC(=O)c1ccccc1N LS10731 [0,1,0,0,0,0|1,0,1]=3 204 B10R1.61 CC(=O)c1ccccc1O LS10607 [0,1,0,0,0,0|0,1,1]=3 205 B10R1.61 CC(=O)c1cccnc1Cl LS20570 [0,1,0,0,0,0|2,0,1]=4 206 B10R1.61 CN(C)c1ccccc1Br LS10558 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.61 CN(C)c1ccccc1Cl LS10168 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.61 CN(C)c1ccccc1F LS10242 [0,1,0,0,0,0|2,0,0]=3 209 B10R1.61 C[C@H](c1ccccc1Cl)O LS30121 [0,1,0,0,0,0|1,0,0]=2 210 B10R1.61 Cc1ccccc1C(=O)O LS10119 [0,1,0,0,0,0|2,0,1]=4 211 B10R1.61 c1cc(c(nc1)S)C(=O)O LS20725 [0,1,0,0,0,0|2,0,1]=4 212 B10R1.61 c1ccc(c(c1)C(=O)N)N LS11473 [0,1,0,0,0,0|2,0,1]=4 213 B10R1.61 c1ccc(c(c1)C(=O)O)Br LS10336 [0,1,0,0,0,0|2,0,1]=4 214 B10R1.61 c1ccc(c(c1)C(=O)O)Cl LS10675 [0,1,0,0,0,0|2,0,1]=4 215 B10R1.61 c1ccc(c(c1)C(=O)O)I LS00003 [0,1,0,0,0,0|2,0,1]=4 216 B10R1.61 c1ccc(c(c1)N)[N+](=O)[O-] LS11572 [0,1,0,0,0,0|3,0,0]=4 217 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])Br LS11477 [0,1,0,0,0,0|3,0,0]=4 218 B10R1.61 c1ccc(c(c1)[N+](=O)[O-])I LS11476 [0,1,0,0,0,0|3,0,0]=4 219 B10R1.245 COc1c(cccc1Br)Br LS11344 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.245 COc1c(cccc1Br)F LS11343 [0,1,0,0,0,0|2,0,0]=3 221 B10R1.245 COc1c(cccc1Cl)F LS10027 [0,1,0,0,0,0|2,0,0]=3 222 B10R1.245 COc1c(cccc1F)N LS10380 [0,1,0,0,0,0|2,0,0]=3 223 B10R1.245 COc1c(cccc1I)F LS10378 [0,1,0,0,0,0|2,0,0]=3 224 B10R1.245 Cc1cccc(c1C#N)F LS10263 [0,1,0,0,0,0|2,0,1]=4 225 B10R1.245 Cc1cccc(c1CCl)C LS10100 [0,1,0,0,0,0|2,0,0]=3 226 B10R1.245 c1cc(c(c(c1)Br)C#N)N LS10151 [0,1,0,0,0,0|2,0,1]=4 227 B10R1.245 c1cc(c(c(c1)Br)C=O)F LS11299 [0,1,0,0,0,0|2,0,1]=4 228 B10R1.245 c1cc(c(c(c1)Br)C=O)O LS11634 [0,1,0,0,0,0|1,1,1]=4 229 B10R1.245 c1cc(c(c(c1)Br)CO)F LS11306 [0,1,0,0,0,0|2,0,0]=3 230 B10R1.245 c1cc(c(c(c1)Cl)C#N)Cl LS11439 [0,1,0,0,0,0|2,0,1]=4 231 B10R1.245 c1cc(c(c(c1)Cl)C#N)N LS11438 [0,1,0,0,0,0|2,0,1]=4 232 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl LS11436 [0,1,0,0,0,0|2,0,1]=4 233 B10R1.245 c1cc(c(c(c1)Cl)C=O)O LS11631 [0,1,0,0,0,0|1,1,1]=4 234 B10R1.245 c1cc(c(c(c1)Cl)CN)Cl LS11221 [0,1,0,0,0,0|2,0,0]=3 235 B10R1.245 c1cc(c(c(c1)Cl)CO)Cl LS11271 [0,1,0,0,0,0|2,0,0]=3 236 B10R1.245 c1cc(c(c(c1)Cl)CO)F LS11277 [0,1,0,0,0,0|2,0,0]=3 237 B10R1.245 c1cc(c(c(c1)F)C#N)F LS11440 [0,1,0,0,0,0|2,0,1]=4 238 B10R1.245 c1cc(c(c(c1)F)C=O)O LS10645 [0,1,0,0,0,0|1,1,1]=4 239 B10R1.245 c1cc(c(c(c1)F)CBr)F LS10251 [0,1,0,0,0,0|2,0,0]=3 240 B10R1.245 c1cc(c(c(c1)F)CCl)F LS11266 [0,1,0,0,0,0|2,0,0]=3 241 B10R1.245 c1cc(c(c(c1)F)CN)F LS11224 [0,1,0,0,0,0|2,0,0]=3 242 B10R1.245 c1cc(c(c(c1)F)CO)F LS11272 [0,1,0,0,0,0|2,0,0]=3 243 B10R1.245 c1cc(c(c(c1)I)C#N)Cl LS10439 [0,1,0,0,0,0|2,0,1]=4 244 B10R2.7 c1cc2c(nc1)NCC2 LS40389 [0,0,0,1,0,0|2,0,0]=3 245 B10R2.7 c1ccc2c(c1)CC=C2 LS11754 [0,0,0,1,0,0|1,0,1]=3 246 B10R2.7 c1ccc2c(c1)CNC2 LS40329 [0,0,0,1,0,0|2,0,0]=3 247 B10R2.7 c1ccc2c(c1)OCO2 LS10418 [0,0,0,1,0,0|1,1,0]=3 248 B10R2.7 c1ccc2c(c1)ccs2 LS40109 [0,0,0,1,0,0|0,0,2]=3 249 B10R2.7 c1ccc2c(c1)cn[nH]2 LS20969 [0,0,0,1,0,0|2,0,1]=4 250 B10R2.7 c1ccc2c(c1)nsn2 LS41252 [0,0,0,1,0,0|3,0,0]=4 251 B7R1.3 c1cc(cnc1)Br LS20426 [2,0,0,0,0,0|2,0,0]=4 252 B7R1.3 c1cc(cnc1)F LS20779 [2,0,0,0,0,0|2,0,0]=4 253 B7R1.3 c1cc[nH]c(=O)c1 LS41474 [2,0,0,0,0,0|1,1,0]=4 254 B7R1.3 c1ccnc(c1)Br LS20874 [2,0,0,0,0,0|2,0,0]=4 255 B7R1.3 c1ccnc(c1)F LS20778 [2,0,0,0,0,0|2,0,0]=4 256 B7R1.3 c1ccnc(c1)N LS20582 [2,0,0,0,0,0|2,0,0]=4 257 B7R1.3 c1cnccc1F LS40545 [2,0,0,0,0,0|2,0,0]=4 258 B7R1.3 c1cnccc1N LS20499 [2,0,0,0,0,0|2,0,0]=4 259 B7R1.3 c1cnccc1O LS21099 [2,0,0,0,0,0|1,1,0]=4 260 B9R1.1 C=Cc1ccc(cc1)Br LS11650 [1,1,0,0,0,0|0,0,2]=4 261 B9R1.1 C=Cc1ccc(cc1)Cl LS11649 [1,1,0,0,0,0|0,0,2]=4 262 B9R1.1 CCc1ccc(cc1)F LS11765 [1,1,0,0,0,0|0,0,0]=2 263 B9R1.1 CCc1ccc(cn1)Br LS21179 [1,1,0,0,0,0|1,0,0]=3 264 B9R1.1 COc1ccc(cc1)O LS10474 [1,1,0,0,0,0|1,0,0]=3 265 B9R1.1 COc1ccc(cc1)S LS11831 [1,1,0,0,0,0|1,0,0]=3 266 B9R1.1 COc1ccc(cn1)Br LS21039 [1,1,0,0,0,0|2,0,0]=4 267 B9R1.1 COc1ccc(cn1)F LS20238 [1,1,0,0,0,0|2,0,0]=4 268 B9R1.1 COc1ccc(cn1)N LS20615 [1,1,0,0,0,0|2,0,0]=4 269 B9R1.1 COc1ccc(nc1)Cl LS20524 [1,1,0,0,0,0|2,0,0]=4 270 B9R1.1 Cc1ccc(cc1)C#C LS10578 [1,1,0,0,0,0|0,0,2]=4 271 B9R1.1 Cc1ccc(cc1)CBr LS11264 [1,1,0,0,0,0|1,0,0]=3 272 B9R1.1 Cc1ccc(cc1)CN LS11220 [1,1,0,0,0,0|1,0,0]=3 273 B9R1.1 Cc1ccc(cc1)CO LS11273 [1,1,0,0,0,0|1,0,0]=3 274 B9R1.1 Cc1ccc(nc1)OC LS20323 [1,1,0,0,0,0|2,0,0]=4 275 B9R1.1 c1cc(ccc1C#N)Br LS11574 [1,1,0,0,0,0|1,0,1]=4 276 B9R1.1 c1cc(ccc1C#N)F LS10440 [1,1,0,0,0,0|1,0,1]=4 277 B9R1.1 c1cc(ccc1C#N)N LS10115 [1,1,0,0,0,0|1,0,1]=4 278 B9R1.1 c1cc(ccc1C=O)Cl LS10198 [1,1,0,0,0,0|1,0,1]=4 279 B9R1.1 c1cc(ccc1CBr)Br LS11427 [1,1,0,0,0,0|1,0,0]=3 280 B9R1.1 c1cc(ccc1CBr)F LS10228 [1,1,0,0,0,0|1,0,0]=3 281 B9R1.1 c1cc(ccc1CBr)I LS11269 [1,1,0,0,0,0|1,0,0]=3 282 B9R1.1 c1cc(ccc1CCl)Cl LS11418 [1,1,0,0,0,0|1,0,0]=3 283 B9R1.1 c1cc(ccc1CO)I LS11275 [1,1,0,0,0,0|1,0,0]=3 284 B9R1.1 c1cc(ccc1CO)N LS10779 [1,1,0,0,0,0|1,0,0]=3 285 B9R1.1 c1cc(ccc1NN)F LS10358 [1,1,0,0,0,0|2,0,0]=4 286 B9R1.1 c1cc(ncc1Br)CO LS20572 [1,1,0,0,0,0|2,0,0]=4 287 B9R1.1 c1cc(ncc1CO)N LS40930 [1,1,0,0,0,0|2,0,0]=4 288 B9R1.2 C#Cc1cccc(c1)N LS10320 [1,1,0,0,0,0|0,0,2]=4 289 B9R1.2 C=Cc1cccc(c1)Br LS11651 [1,1,0,0,0,0|0,0,2]=4 290 B9R1.2 C=Cc1cccc(c1)Cl LS11652 [1,1,0,0,0,0|0,0,2]=4 291 B9R1.2 C=Cc1cccc(c1)F LS11648 [1,1,0,0,0,0|0,0,2]=4 292 B9R1.2 CNc1cccc(c1)Cl LS10187 [1,1,0,0,0,0|1,0,0]=3 293 B9R1.2 COc1cc(ccn1)Br LS21151 [1,1,0,0,0,0|2,0,0]=4 294 B9R1.2 COc1cc(ccn1)Cl LS20320 [1,1,0,0,0,0|2,0,0]=4 295 B9R1.2 COc1cc(ccn1)N LS20329 [1,1,0,0,0,0|2,0,0]=4 296 B9R1.2 COc1cccc(n1)Cl LS20709 [1,1,0,0,0,0|2,0,0]=4 297 B9R1.2 COc1cccc(n1)N LS20232 [1,1,0,0,0,0|2,0,0]=4 298 B9R1.2 Cc1cccc(c1)C=O LS11853 [1,1,0,0,0,0|1,0,1]=4 299 B9R1.2 Cc1cccc(c1)CBr LS11263 [1,1,0,0,0,0|1,0,0]=3 300 B9R1.2 Cc1cccc(c1)CCl LS11215 [1,1,0,0,0,0|1,0,0]=3 301 B9R1.2 Cc1cccc(c1)CN LS11219 [1,1,0,0,0,0|1,0,0]=3 302 B9R1.2 Cc1cccc(n1)CO LS20207 [1,1,0,0,0,0|2,0,0]=4 303 B9R1.2 c1cc(cc(c1)Br)CN LS11217 [1,1,0,0,0,0|1,0,0]=3 304 B9R1.2 c1cc(cc(c1)F)CO LS11387 [1,1,0,0,0,0|1,0,0]=3 305 B9R1.2 c1cc(cc(c1)I)C=O LS10324 [1,1,0,0,0,0|1,0,1]=4 306 B9R1.2 c1cc(cc(c1)I)CBr LS11267 [1,1,0,0,0,0|1,0,0]=3 307 B9R1.2 c1cc(cc(c1)O)C=O LS10593 [1,1,0,0,0,0|1,0,1]=4 308 B9R1.2 c1cnc(cc1CO)N LS21015 [1,1,0,0,0,0|2,0,0]=4 309 B9R1.6 B(c1ccccc1)(O)O LS00011 [1,1,0,0,0,0|2,0,0]=4 310 B9R1.6 CC(=O)c1cccnc1 LS20960 [1,1,0,0,0,0|1,0,1]=4 311 B9R1.6 C[C@@H](c1ccccc1)N LS30171 [1,1,0,0,0,0|0,0,0]=2 312 B9R1.6 C[C@H](c1ccccc1)N LS30099 [1,1,0,0,0,0|0,0,0]=2 313 B9R1.6 c1ccc(cc1)C(=N)N LS10719 [1,1,0,0,0,0|1,0,1]=4 314 B9R1.6 c1ccc(cc1)C(=O)O LS41489 [1,1,0,0,0,0|1,0,1]=4 315 B9R1.6 c1ccc(cc1)C(=S)N LS10766 [1,1,0,0,0,0|1,0,1]=4 316 B9R1.8 CNNc1ccccc1 LS10173 [1,1,0,0,0,0|1,0,0]=3 317 B9R1.8 c1cc(cnc1)CC=O LS21221 [1,1,0,0,0,0|1,0,1]=4 318 B9R1.8 c1ccc(cc1)CCN LS10634 [1,1,0,0,0,0|0,0,0]=2 319 B9R1.8 c1ccc(cc1)CCN LS10635 [1,1,0,0,0,0|0,0,0]=2 320 B9R1.8 c1ccc(cc1)CNO LS11836 [1,1,0,0,0,0|1,0,0]=3 321 B9R1.8 c1ccc(cc1)CNO LS40338 [1,1,0,0,0,0|1,0,0]=3 322 B9R1.8 c1ccc(cc1)CON LS40003 [1,1,0,0,0,0|1,0,0]=3 323 B9R1.8 c1ccc(cc1)[Se]C#N LS11775 [1,1,0,0,0,0|1,0,1]=4 324 B9R1.8 c1ccnc(c1)CC#N LS20875 [1,1,0,0,0,0|1,0,1]=4 325 B9R1.8 c1cnccc1CCN LS21103 [1,1,0,0,0,0|1,0,0]=3 326 B9R1.3 Cc1c(cccc1Br)F LS11797 [1,1,0,0,0,0|1,0,0]=3 327 B9R1.3 Cc1c(cccc1Br)N LS00021 [1,1,0,0,0,0|1,0,0]=3 328 B9R1.3 Cc1c(cccc1Cl)N LS11413 [1,1,0,0,0,0|1,0,0]=3 329 B9R1.3 Cc1c(cccc1F)N LS10456 [1,1,0,0,0,0|1,0,0]=3 330 B9R1.3 Cc1c(cccc1F)O LS11582 [1,1,0,0,0,0|0,1,0]=3 331 B9R1.3 Cc1c(cccc1O)N LS11805 [1,1,0,0,0,0|0,1,0]=3 332 B9R1.3 Cc1c(cccc1O)O LS10121 [1,1,0,0,0,0|0,1,0]=3 333 B9R1.3 Cc1c(ccnc1Cl)I LS20852 [1,1,0,0,0,0|2,0,0]=4 334 B9R1.3 Cc1c(ccnc1F)I LS20345 [1,1,0,0,0,0|2,0,0]=4 335 B9R1.3 Cc1c(cncc1Cl)Cl LS20002 [1,1,0,0,0,0|2,0,0]=4 336 B9R1.3 Cc1cccc(c1C)Br LS11762 [1,1,0,0,0,0|1,0,0]=3 337 B9R1.3 Cc1cccc(c1F)O LS10317 [1,1,0,0,0,0|1,0,0]=3 338 B9R1.3 Cc1cccc(c1I)F LS10535 [1,1,0,0,0,0|1,0,0]=3 339 B9R1.3 Cc1cccc(c1N)Cl LS10715 [1,1,0,0,0,0|1,0,0]=3 340 B9R1.3 Cc1cccc(c1N)F LS10282 [1,1,0,0,0,0|1,0,0]=3 341 B9R1.3 Cc1cccc(c1O)Cl LS10669 [1,1,0,0,0,0|0,1,0]=3 342 B9R1.3 Cc1ccnc(c1Br)Cl LS20496 [1,1,0,0,0,0|2,0,0]=4 343 B9R1.3 Cc1ccnc(c1N)Br LS20512 [1,1,0,0,0,0|2,0,0]=4 344 B9R1.3 c1cc(c(c(c1)Br)Cl)Cl LS11372 [1,1,0,0,0,0|2,0,0]=4 345 B9R1.3 c1cc(c(c(c1)Br)Cl)O LS10087 [1,1,0,0,0,0|1,1,0]=4 346 B9R1.3 c1cc(c(c(c1)Br)F)N LS10570 [1,1,0,0,0,0|2,0,0]=4 347 B9R1.3 c1cc(c(c(c1)Br)N)Br LS11641 [1,1,0,0,0,0|2,0,0]=4 348 B9R1.3 c1cc(c(c(c1)Br)O)Br LS11453 [1,1,0,0,0,0|1,1,0]=4 349 B9R1.3 c1cc(c(c(c1)Cl)Br)Cl LS11199 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.3 c1cc(c(c(c1)Cl)Cl)O LS11389 [1,1,0,0,0,0|1,1,0]=4 351 B9R1.3 c1cc(c(c(c1)Cl)F)F LS10287 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.3 c1cc(c(c(c1)Cl)F)O LS10395 [1,1,0,0,0,0|1,1,0]=4 353 B9R1.3 c1cc(c(c(c1)Cl)I)N LS10555 [1,1,0,0,0,0|2,0,0]=4 354 B9R1.3 c1cc(c(c(c1)Cl)O)Cl LS10077 [1,1,0,0,0,0|1,1,0]=4 355 B9R1.3 c1cc(c(c(c1)Cl)O)F LS10396 [1,1,0,0,0,0|1,1,0]=4 356 B9R1.3 c1cc(c(c(c1)F)Br)N LS10453 [1,1,0,0,0,0|2,0,0]=4 357 B9R1.3 c1cc(c(c(c1)F)Cl)N LS11496 [1,1,0,0,0,0|2,0,0]=4 358 B9R1.3 c1cc(c(c(c1)F)Cl)O LS10193 [1,1,0,0,0,0|1,1,0]=4 359 B9R1.3 c1cc(c(c(c1)F)I)N LS10450 [1,1,0,0,0,0|2,0,0]=4 360 B9R1.3 c1cc(c(c(c1)F)O)F LS11403 [1,1,0,0,0,0|1,1,0]=4 361 B9R1.3 c1cc(c(c(c1)F)O)O LS10021 [1,1,0,0,0,0|1,1,0]=4 362 B9R1.3 c1cc(c(c(c1)I)Cl)Cl LS11545 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.3 c1cc(c(c(c1)I)N)Cl LS00034 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.3 c1cc(c(c(c1)I)O)O LS10698 [1,1,0,0,0,0|1,1,0]=4 365 B9R1.3 c1cc(c(c(c1)O)F)O LS10311 [1,1,0,0,0,0|1,1,0]=4 366 B9R1.3 c1cc(c(c(c1)O)N)O LS11761 [1,1,0,0,0,0|1,1,0]=4 367 B9R1.3 c1cc(c(c(c1)O)N)O LS11782 [1,1,0,0,0,0|1,1,0]=4 368 B9R1.69 Cc1c(cc(cn1)Br)Br LS20041 [1,1,0,0,0,0|2,0,0]=4 369 B9R1.69 Cc1c(ccc(n1)Br)Br LS20405 [1,1,0,0,0,0|2,0,0]=4 370 B9R1.69 Cc1c(ccc(n1)Br)F LS20735 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.69 Cc1c(ccc(n1)Br)N LS20743 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.69 Cc1c(ccc(n1)Cl)Br LS20733 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.69 Cc1c(ccc(n1)Cl)F LS20355 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.69 Cc1c(ccc(n1)Cl)N LS20510 [1,1,0,0,0,0|2,0,0]=4 375 B9R1.69 Cc1c(ccc(n1)N)Br LS20737 [1,1,0,0,0,0|2,0,0]=4 376 B9R1.69 Cc1c(ccc(n1)N)F LS20851 [1,1,0,0,0,0|2,0,0]=4 377 B9R1.69 Cc1c(ccc(n1)O)Br LS20736 [1,1,0,0,0,0|2,0,0]=4 378 B9R1.69 Cc1cc(c(nc1)Br)C LS20029 [1,1,0,0,0,0|2,0,0]=4 379 B9R1.69 Cc1cc(c(nc1)C)C LS20056 [1,1,0,0,0,0|2,0,0]=4 380 B9R1.69 Cc1cc(ccc1Br)F LS10433 [1,1,0,0,0,0|1,0,0]=3 381 B9R1.69 Cc1cc(ccc1Br)O LS10569 [1,1,0,0,0,0|1,0,0]=3 382 B9R1.69 Cc1cc(ccc1Cl)I LS10339 [1,1,0,0,0,0|1,0,0]=3 383 B9R1.69 Cc1cc(ccc1F)N LS10454 [1,1,0,0,0,0|1,0,0]=3 384 B9R1.69 Cc1cc(ccc1O)Br LS10229 [1,1,0,0,0,0|0,1,0]=3 385 B9R1.69 Cc1cc(ccc1O)Cl LS10662 [1,1,0,0,0,0|0,1,0]=3 386 B9R1.69 Cc1cc(cnc1Br)Br LS20558 [1,1,0,0,0,0|2,0,0]=4 387 B9R1.69 Cc1cc(cnc1Br)Cl LS20774 [1,1,0,0,0,0|2,0,0]=4 388 B9R1.69 Cc1cc(cnc1Br)F LS20363 [1,1,0,0,0,0|2,0,0]=4 389 B9R1.69 Cc1cc(cnc1Cl)F LS20354 [1,1,0,0,0,0|2,0,0]=4 390 B9R1.69 Cc1cc(cnc1F)N LS20741 [1,1,0,0,0,0|2,0,0]=4 391 B9R1.69 Cc1cc(cnc1F)O LS20344 [1,1,0,0,0,0|2,0,0]=4 392 B9R1.69 Cc1cc(cnc1N)Br LS20513 [1,1,0,0,0,0|2,0,0]=4 393 B9R1.69 Cc1cc(cnc1O)Br LS20335 [1,1,0,0,0,0|1,1,0]=4 394 B9R1.69 Cc1cc(ncc1Br)F LS20411 [1,1,0,0,0,0|2,0,0]=4 395 B9R1.69 Cc1cc(ncc1Br)N LS20447 [1,1,0,0,0,0|2,0,0]=4 396 B9R1.69 Cc1cc(ncc1Cl)N LS20372 [1,1,0,0,0,0|2,0,0]=4 397 B9R1.69 Cc1cc(ncc1N)Br LS20366 [1,1,0,0,0,0|2,0,0]=4 398 B9R1.69 Cc1ccc(c(c1)Br)F LS10435 [1,1,0,0,0,0|2,0,0]=4 399 B9R1.69 Cc1ccc(c(c1)Br)O LS11738 [1,1,0,0,0,0|1,1,0]=4 400 B9R1.69 Cc1ccc(c(c1)Cl)C LS11676 [1,1,0,0,0,0|1,0,0]=3 401 B9R1.69 Cc1ccc(c(c1)F)Br LS10432 [1,1,0,0,0,0|2,0,0]=4 402 B9R1.69 Cc1ccc(c(c1)F)F LS10430 [1,1,0,0,0,0|2,0,0]=4 403 B9R1.69 Cc1ccc(c(c1)N)Br LS10019 [1,1,0,0,0,0|2,0,0]=4 404 B9R1.69 Cc1ccc(c(c1)N)I LS10064 [1,1,0,0,0,0|2,0,0]=4 405 B9R1.69 Cc1ccc(c(c1)O)Br LS11750 [1,1,0,0,0,0|1,1,0]=4 406 B9R1.69 Cc1ccc(cc1Br)Br LS10325 [1,1,0,0,0,0|1,0,0]=3 407 B9R1.69 Cc1ccc(cc1Br)F LS10434 [1,1,0,0,0,0|1,0,0]=3 408 B9R1.69 Cc1ccc(cc1Cl)F LS10431 [1,1,0,0,0,0|1,0,0]=3 409 B9R1.69 Cc1ccc(cc1F)N LS10457 [1,1,0,0,0,0|1,0,0]=3 410 B9R1.69 Cc1ccc(cc1N)Br LS10331 [1,1,0,0,0,0|1,0,0]=3 411 B9R1.69 Cc1ccc(cc1N)F LS10455 [1,1,0,0,0,0|1,0,0]=3 412 B9R1.69 Cc1ccc(nc1Cl)Cl LS20613 [1,1,0,0,0,0|2,0,0]=4 413 B9R1.69 Cc1cnc(cc1Cl)Cl LS21148 [1,1,0,0,0,0|2,0,0]=4 414 B9R1.69 Cc1cnc(cc1I)F LS20495 [1,1,0,0,0,0|2,0,0]=4 415 B9R1.69 c1cc(c(cc1Br)Br)F LS10353 [1,1,0,0,0,0|2,0,0]=4 416 B9R1.69 c1cc(c(cc1Br)Br)N LS11452 [1,1,0,0,0,0|2,0,0]=4 417 B9R1.69 c1cc(c(cc1Br)Br)O LS11451 [1,1,0,0,0,0|1,1,0]=4 418 B9R1.69 c1cc(c(cc1Br)Cl)Cl LS10687 [1,1,0,0,0,0|2,0,0]=4 419 B9R1.69 c1cc(c(cc1Br)Cl)N LS11838 [1,1,0,0,0,0|2,0,0]=4 420 B9R1.69 c1cc(c(cc1Br)F)Br LS11494 [1,1,0,0,0,0|2,0,0]=4 421 B9R1.69 c1cc(c(cc1Br)F)N LS11405 [1,1,0,0,0,0|2,0,0]=4 422 B9R1.69 c1cc(c(cc1Br)I)F LS11632 [1,1,0,0,0,0|2,0,0]=4 423 B9R1.69 c1cc(c(cc1Br)I)N LS10333 [1,1,0,0,0,0|2,0,0]=4 424 B9R1.69 c1cc(c(cc1Br)N)Br LS11325 [1,1,0,0,0,0|2,0,0]=4 425 B9R1.69 c1cc(c(cc1Br)N)Cl LS10371 [1,1,0,0,0,0|2,0,0]=4 426 B9R1.69 c1cc(c(cc1Br)N)N LS00002 [1,1,0,0,0,0|2,0,0]=4 427 B9R1.69 c1cc(c(cc1Br)N)O LS10615 [1,1,0,0,0,0|1,1,0]=4 428 B9R1.69 c1cc(c(cc1Br)O)Cl LS10495 [1,1,0,0,0,0|1,1,0]=4 429 B9R1.69 c1cc(c(cc1Br)O)F LS10459 [1,1,0,0,0,0|1,1,0]=4 430 B9R1.69 c1cc(c(cc1Br)O)N LS10644 [1,1,0,0,0,0|1,1,0]=4 431 B9R1.69 c1cc(c(cc1Cl)Br)O LS11737 [1,1,0,0,0,0|1,1,0]=4 432 B9R1.69 c1cc(c(cc1Cl)Cl)Br LS11198 [1,1,0,0,0,0|2,0,0]=4 433 B9R1.69 c1cc(c(cc1Cl)Cl)F LS11569 [1,1,0,0,0,0|2,0,0]=4 434 B9R1.69 c1cc(c(cc1Cl)I)N LS10340 [1,1,0,0,0,0|2,0,0]=4 435 B9R1.69 c1cc(c(cc1Cl)N)Br LS10347 [1,1,0,0,0,0|2,0,0]=4 436 B9R1.69 c1cc(c(cc1Cl)N)O LS10668 [1,1,0,0,0,0|1,1,0]=4 437 B9R1.69 c1cc(c(cc1Cl)O)I LS10194 [1,1,0,0,0,0|1,1,0]=4 438 B9R1.69 c1cc(c(cc1F)Br)N LS11175 [1,1,0,0,0,0|2,0,0]=4 439 B9R1.69 c1cc(c(cc1F)Br)O LS10461 [1,1,0,0,0,0|1,1,0]=4 440 B9R1.69 c1cc(c(cc1F)Cl)S LS10397 [1,1,0,0,0,0|1,0,0]=3 441 B9R1.69 c1cc(c(cc1F)N)Br LS10452 [1,1,0,0,0,0|2,0,0]=4 442 B9R1.69 c1cc(c(cc1F)N)O LS10399 [1,1,0,0,0,0|1,1,0]=4 443 B9R1.69 c1cc(c(cc1F)O)Br LS10489 [1,1,0,0,0,0|1,1,0]=4 444 B9R1.69 c1cc(c(cc1F)O)Cl LS10485 [1,1,0,0,0,0|1,1,0]=4 445 B9R1.69 c1cc(c(cc1I)Cl)Br LS10093 [1,1,0,0,0,0|2,0,0]=4 446 B9R1.69 c1cc(c(cc1I)F)N LS10451 [1,1,0,0,0,0|2,0,0]=4 447 B9R1.69 c1cc(c(cc1N)Br)Cl LS10236 [1,1,0,0,0,0|2,0,0]=4 448 B9R1.69 c1cc(c(cc1N)Br)F LS10387 [1,1,0,0,0,0|2,0,0]=4 449 B9R1.69 c1cc(c(cc1N)Cl)Cl LS11577 [1,1,0,0,0,0|2,0,0]=4 450 B9R1.69 c1cc(c(cc1N)Cl)F LS11518 [1,1,0,0,0,0|2,0,0]=4 451 B9R1.69 c1cc(c(cc1N)F)I LS10449 [1,1,0,0,0,0|2,0,0]=4 452 B9R1.69 c1cc(c(cc1N)O)Cl LS10724 [1,1,0,0,0,0|1,1,0]=4 453 B9R1.69 c1cc(c(cc1O)Br)Cl LS10344 [1,1,0,0,0,0|2,0,0]=4 454 B9R1.69 c1cc(c(cc1O)Br)F LS10460 [1,1,0,0,0,0|2,0,0]=4 455 B9R1.69 c1cc(c(cc1O)Br)O LS11757 [1,1,0,0,0,0|1,1,0]=4 456 B9R1.69 c1cc(c(cc1O)Cl)Br LS10343 [1,1,0,0,0,0|2,0,0]=4 457 B9R1.69 c1cc(c(cc1O)Cl)N LS11520 [1,1,0,0,0,0|2,0,0]=4 458 B9R1.69 c1cc(c(cc1O)F)N LS00146 [1,1,0,0,0,0|2,0,0]=4 459 B9R1.69 c1cc(c(cc1O)F)O LS00052 [1,1,0,0,0,0|1,1,0]=4 460 B9R1.69 c1cc(c(cc1O)N)F LS10007 [1,1,0,0,0,0|2,0,0]=4 461 B9R1.69 c1cc(c(cc1O)O)Br LS10165 [1,1,0,0,0,0|1,1,0]=4 462 B9R1.69 c1cc(c(cc1S)Cl)F LS10394 [1,1,0,0,0,0|2,0,0]=4 463 B9R1.27 CCN1C(=O)C=CC1=O LS41520 [0,1,0,0,1,0|1,1,0]=4 464 B11R1.13 c1cc(c(c(c1)Cl)Cl)CCO LS11243 [0,2,0,0,0,0|1,0,0]=3 465 B11R1.159 CC(=O)c1cccc(c1F)Br LS10318 [0,2,0,0,0,0|1,0,1]=4 466 B11R1.159 CC(c1cccc(c1F)Br)O LS11305 [0,2,0,0,0,0|1,0,0]=3 467 B11R1.267 CCc1cccc(c1O)CC LS11742 [0,2,0,0,0,0|0,1,0]=3 468 B11R1.267 COc1cccc(c1F)C#N LS10265 [0,2,0,0,0,0|2,0,0]=4 469 B11R1.267 COc1cccc(c1F)C=O LS10125 [0,2,0,0,0,0|2,0,0]=4 470 B11R1.41 COc1ccccc1CCO LS11834 [0,2,0,0,0,0|0,1,0]=3 471 B11R1.81 CCOc1ccc(cc1N)N LS11503 [0,2,0,0,0,0|1,0,0]=3 472 B11R1.81 CNCc1ccc(cc1Cl)Cl LS10751 [0,2,0,0,0,0|1,0,0]=3 473 B11R1.81 c1cc(c(cc1Cl)Cl)CCN LS11233 [0,2,0,0,0,0|1,0,0]=3 474 B11R1.81 c1cc(c(cc1Cl)Cl)CCO LS11244 [0,2,0,0,0,0|1,0,0]=3 475 B11R1.81 c1cc(c(cc1Cl)F)CC#N LS10623 [0,2,0,0,0,0|1,0,1]=4 476 B11R1.86 CC(=O)Cc1ccccc1Br LS11253 [0,2,0,0,0,0|1,0,0]=3 477 B11R1.86 CC(=O)Cc1ccccc1Cl LS11256 [0,2,0,0,0,0|1,0,0]=3 478 B11R1.86 CC(=O)Cc1ccccc1F LS11259 [0,2,0,0,0,0|1,0,0]=3 479 B11R1.86 c1ccc(c(c1)CC(=O)O)O LS10642 [0,2,0,0,0,0|0,1,1]=4 480 B11R1.222 CCC(=O)c1ccccc1Cl LS11338 [0,2,0,0,0,0|1,0,0]=3 481 B11R1.222 CNC(=O)c1ccccc1N LS11490 [0,2,0,0,0,0|1,0,1]=4 482 B11R1.222 COC(=O)c1ccccc1Cl LS10628 [0,2,0,0,0,0|1,0,1]=4 483 B11R1.222 Cc1ccccc1C(=O)CBr LS11319 [0,2,0,0,0,0|1,0,1]=4 484 B11R1.605 c1cc(c(c(c1)Cl)CCN)Cl LS11234 [0,2,0,0,0,0|1,0,0]=3 485 B11R1.605 c1cc(c(c(c1)Cl)CCO)Cl LS11242 [0,2,0,0,0,0|1,0,0]=3 486 B11R1.605 c1cc(c(c(c1)Cl)CCO)F LS11251 [0,2,0,0,0,0|1,0,0]=3 487 B11R1.605 c1cc(c(c(c1)F)CCN)F LS11235 [0,2,0,0,0,0|1,0,0]=3 488 B11R1.37 COc1cc(ccc1C#N)Br LS10144 [0,2,0,0,0,0|2,0,0]=4 489 B11R1.37 COc1cc(ccc1C=O)F LS10599 [0,2,0,0,0,0|1,1,0]=4 490 B11R1.37 COc1ccc(cc1C=O)Cl LS10412 [0,2,0,0,0,0|1,1,0]=4 491 B11R1.53 B(c1ccccc1CBr)(O)O LS10791 [0,2,0,0,0,0|1,1,0]=4 492 B11R1.53 B(c1ccccc1CC)(O)O LS10539 [0,2,0,0,0,0|0,1,0]=3 493 B11R1.53 B(c1ccccc1CO)(O)O LS10798 [0,2,0,0,0,0|1,1,0]=4 494 B11R1.53 B(c1ccccc1OC)(O)O LS10801 [0,2,0,0,0,0|1,1,0]=4 495 B11R1.53 B(c1ccccc1SC)(O)O LS00116 [0,2,0,0,0,0|1,1,0]=4 496 B11R1.53 COc1ccccc1C(=O)Cl LS11458 [0,2,0,0,0,0|1,1,0]=4 497 B11R1.53 COc1ccccc1C(=O)O LS11456 [0,2,0,0,0,0|1,1,0]=4 498 B11R1.166 CC(=O)c1ccc(cc1Cl)Br LS10361 [0,2,0,0,0,0|1,0,1]=4 499 B11R1.166 CC(=O)c1ccc(cc1F)Cl LS10306 [0,2,0,0,0,0|1,0,1]=4 500 B11R1.166 CC(=O)c1ccc(cc1O)F LS10126 [0,2,0,0,0,0|0,1,1]=4 501 B11R1.166 CN(C)c1ccc(cc1Cl)Br LS10231 [0,2,0,0,0,0|2,0,0]=4 502 B11R1.166 Cc1cc(ccc1C(C)C)O LS10720 [0,2,0,0,0,0|1,0,0]=3 503 B11R1.277 COc1cc(c(cc1Cl)Cl)N LS10683 [0,2,0,0,0,0|2,0,0]=4 504 B11R1.279 COc1ccc(c(c1)F)OC LS10379 [0,2,0,0,0,0|2,0,0]=4 505 B11R1.279 COc1ccc(cc1Cl)CN LS10670 [0,2,0,0,0,0|2,0,0]=4 506 B11R1.279 COc1ccc(cc1O)C#N LS11706 [0,2,0,0,0,0|1,1,0]=4 507 B11R1.279 COc1ccc(cc1O)C=O LS10550 [0,2,0,0,0,0|1,1,0]=4 508 B11R1.464 Cc1cc(cc(c1OC)C)Br LS10411 [0,2,0,0,0,0|2,0,0]=4 509 B11R1.464 c1c(cc(c(c1F)CO)F)Br LS11307 [0,2,0,0,0,0|2,0,0]=4 510 B11R1.167 CC(=O)c1cc(ccc1Br)Cl LS11579 [0,2,0,0,0,0|1,0,1]=4 511 B11R1.167 CC(=O)c1cc(ccc1Br)F LS10365 [0,2,0,0,0,0|1,0,1]=4 512 B11R1.167 CC(=O)c1cc(ccc1F)Br LS10106 [0,2,0,0,0,0|1,0,1]=4 513 B11R1.167 CC(=O)c1cc(ccc1I)F LS10113 [0,2,0,0,0,0|1,0,1]=4 514 B11R1.167 CC(=O)c1cc(ccc1O)O LS11715 [0,2,0,0,0,0|0,1,1]=4 515 B11R1.280 CCc1cc(ccc1N)C#N LS10564 [0,2,0,0,0,0|1,0,0]=3 516 B11R1.280 COc1cc(ccc1F)C=O LS10503 [0,2,0,0,0,0|2,0,0]=4 517 B11R1.280 COc1cc(ccc1O)C#N LS11702 [0,2,0,0,0,0|1,1,0]=4 518 B11R1.280 COc1cc(ccc1O)CN LS11401 [0,2,0,0,0,0|1,1,0]=4 519 B11R1.87 Cc1ccccc1C(F)(F)F LS10424 [0,2,0,0,0,0|2,0,0]=4 520 B11R1.156 CC(=O)c1c(cccc1Br)F LS11304 [0,2,0,0,0,0|1,0,1]=4 521 B11R1.156 CC(=O)c1c(cccc1F)F LS11166 [0,2,0,0,0,0|1,0,1]=4 522 B11R2.106 c1cc2c(c(c1)Br)CNC2 LS20869 [0,1,0,1,0,0|1,0,0]=3 523 B11R2.106 c1cc2c(c(c1)I)OCO2 LS40633 [0,1,0,1,0,0|1,1,0]=4 524 B11R2.106 c1cc2c(ccs2)c(c1)Br LS20825 [0,1,0,1,0,0|0,0,2]=4 525 B11R2.10 CC1=Cc2ccccc2C1 LS00050 [0,1,0,1,0,0|1,0,0]=3 526 B11R2.10 c1ccc2c(c1)CC(=O)O2 LS40288 [0,1,0,1,0,0|0,1,1]=4 527 B11R2.10 c1ccc2c(c1)CC(C2)N LS40608 [0,1,0,1,0,0|1,0,0]=3 528 B11R2.10 c1ccc2c(c1)CC(C2)O LS40651 [0,1,0,1,0,0|1,0,0]=3 529 B11R2.20 c1cc2c(nc1)CCCC2 LS40266 [0,1,0,1,0,0|2,0,0]=4 530 B11R2.20 c1ccc2c(c1)CCCC2 LS40429 [0,1,0,1,0,0|1,0,0]=3 531 B11R2.20 c1ccc2c(c1)NCCO2 LS40407 [0,1,0,1,0,0|0,1,0]=3 532 B11R2.1 c1ccc2c(c1)CCC2N LS40652 [0,1,0,1,0,0|1,0,0]=3 533 B11R2.1 c1ccc2c(c1)CC[C@H]2N LS30488 [0,1,0,1,0,0|1,0,0]=3 534 B11R2.36 c1cc(cc2c1ccs2)O LS21200 [0,1,0,1,0,0|0,0,2]=4 535 B11R2.36 c1cc2c(cc1Br)CCN2 LS20952 [0,1,0,1,0,0|1,0,0]=3 536 B11R2.36 c1cc2c(cc1Br)CCO2 LS40182 [0,1,0,1,0,0|0,1,0]=3 537 B11R2.36 c1cc2c(cc1Br)CNC2 LS20867 [0,1,0,1,0,0|2,0,0]=4 538 B11R2.36 c1cc2c(cc1Br)NCC2 LS20158 [0,1,0,1,0,0|1,0,0]=3 539 B11R2.36 c1cc2c(cc1Cl)CCN2 LS20157 [0,1,0,1,0,0|1,0,0]=3 540 B11R2.36 c1cc2c(cc1N)CCO2 LS40069 [0,1,0,1,0,0|0,1,0]=3 541 B11R2.36 c1cc2c(cc1N)CNC2 LS40052 [0,1,0,1,0,0|2,0,0]=4 542 B7R1.1 CCc1[nH]ccn1 LS20052 [1,0,0,0,1,0|2,0,0]=4 543 B7R1.1 c1cc(sc1)CO LS20642 [1,0,0,0,1,0|2,0,0]=4 544 B7R1.4 Cc1ccsc1Br LS20654 [1,0,0,0,1,0|2,0,0]=4 545 B7R1.4 Cc1ccsc1Cl LS20652 [1,0,0,0,1,0|2,0,0]=4