0 B9R1.8 c1c(cncn1)CC#N BC678765 [0,0,0,0,0,0|3,0,1]=4 1 B9R1.8 c1cc(cnc1)CCN BC226643 [0,0,0,0,0,0|2,0,1]=3 2 B9R1.8 c1ccc(cc1)CC=O BC250050 [0,0,0,0,0,0|0,0,0]=0 3 B9R1.8 c1ccc(cc1)CCBr BC203736 [0,0,0,0,0,0|1,0,1]=2 4 B9R1.8 c1ccc(cc1)CCO BC213746 [0,0,0,0,0,0|0,0,2]=2 5 B9R1.8 c1ccc(cc1)CNN BC652179 [0,0,0,0,0,0|2,0,0]=2 6 B9R1.8 c1ccc(cc1)CNN BC676720 [0,0,0,0,0,0|2,0,0]=2 7 B9R1.8 c1ccnc(c1)CCBr BC216605 [0,0,0,0,0,0|2,0,1]=3 8 B9R1.8 c1cnccc1CCBr BC683652 [0,0,0,0,0,0|2,0,1]=3 9 B9R1.8 c1cnccc1CCO BC201212 [0,0,0,0,0,0|1,0,2]=3 10 B8R1.2 C#Cc1ccccn1 BC225212 [1,0,0,0,0,0|1,0,2]=4 11 B8R1.2 C#Cc1ccncc1 BC677907 [1,0,0,0,0,0|1,0,2]=4 12 B8R1.2 C=Cc1cccnc1 BC675972 [1,0,0,0,0,0|1,0,1]=3 13 B8R1.2 CCc1cccnc1 BC223674 [1,0,0,0,0,0|1,0,1]=3 14 B8R1.2 COc1cccnc1 BC653137 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [1,0,0,0,0,0|1,0,1]=3 16 B8R1.2 c1c(cncn1)C=O BC200327 [1,0,0,0,0,0|2,0,0]=3 17 B8R1.2 c1c(cncn1)CBr BC678767 [1,0,0,0,0,0|3,0,0]=4 18 B8R1.2 c1c(cncn1)CCl BC678766 [1,0,0,0,0,0|3,0,0]=4 19 B8R1.2 c1c(cncn1)CO BC228080 [1,0,0,0,0,0|2,0,1]=4 20 B8R1.2 c1cc(cnc1)C=O BC221128 [1,0,0,0,0,0|1,0,0]=2 21 B8R1.2 c1cc(cnc1)CBr BC258182 [1,0,0,0,0,0|2,0,0]=3 22 B8R1.2 c1cc(cnc1)CBr BC281217 [1,0,0,0,0,0|2,0,0]=3 23 B8R1.2 c1cc(cnc1)CCl BC204269 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.2 c1cc(cnc1)CN BC205833 [1,0,0,0,0,0|2,0,0]=3 25 B8R1.2 c1cc(cnc1)CO BC209311 [1,0,0,0,0,0|1,0,1]=3 26 B8R1.2 c1cc(cnc1)NN BC231979 [1,0,0,0,0,0|3,0,0]=4 27 B8R1.2 c1cc(cnc1)NN BC686688 [1,0,0,0,0,0|3,0,0]=4 28 B8R1.2 c1cc(cnc1)NN BC686691 [1,0,0,0,0,0|3,0,0]=4 29 B8R1.2 c1cc(nnc1)C=O BC667339 [1,0,0,0,0,0|2,0,0]=3 30 B8R1.2 c1ccc(cc1)CBr BC220250 [1,0,0,0,0,0|1,0,0]=2 31 B8R1.2 c1ccc(cc1)CCl BC210975 [1,0,0,0,0,0|1,0,0]=2 32 B8R1.2 c1ccc(cc1)CO BC222892 [1,0,0,0,0,0|0,0,1]=2 33 B8R1.2 c1ccc(cc1)N=O BC684726 [1,0,0,0,0,0|1,0,0]=2 34 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.2 c1ccnc(c1)CCl BC213218 [1,0,0,0,0,0|2,0,0]=3 36 B8R1.2 c1ccnc(c1)CCl BC227992 [1,0,0,0,0,0|2,0,0]=3 37 B8R1.2 c1cnc(cn1)C=O BC681558 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.2 c1cnc(nc1)C=O BC228094 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.2 c1cnc(nc1)CCl BC212037 [1,0,0,0,0,0|3,0,0]=4 40 B8R1.2 c1cnc(nc1)CN BC671460 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.2 c1cncnc1C=O BC652156 [1,0,0,0,0,0|2,0,0]=3 42 B8R1.2 c1cncnc1CO BC228082 [1,0,0,0,0,0|2,0,1]=4 43 B10R1.1 COCc1ccc(cc1)O BC674868 [0,1,0,0,0,0|2,0,0]=3 44 B10R1.1 Cc1ccc(cc1)CC#N BC205621 [0,1,0,0,0,0|1,0,1]=3 45 B10R1.1 c1cc(ccc1CC#N)Br BC227508 [0,1,0,0,0,0|1,0,1]=3 46 B10R1.1 c1cc(ccc1CC#N)N BC676372 [0,1,0,0,0,0|1,0,1]=3 47 B10R1.1 c1cc(ccc1CCBr)Cl BC658954 [0,1,0,0,0,0|1,0,1]=3 48 B10R1.1 c1cc(ccc1CCN)Br BC205235 [0,1,0,0,0,0|1,0,1]=3 49 B10R1.1 c1cc(ccc1CCO)Br BC646236 [0,1,0,0,0,0|0,0,2]=3 50 B10R1.1 c1cc(ccc1CCO)O BC676907 [0,1,0,0,0,0|0,0,2]=3 51 B10R1.1 c1cc(ccc1N=C=O)F BC219243 [0,1,0,0,0,0|1,0,1]=3 52 B10R1.1 c1cc(ccc1\C=N\O)F BC684728 [0,1,0,0,0,0|1,0,2]=4 53 B10R1.1 c1cc(ncc1Br)CC#N BC216615 [0,1,0,0,0,0|2,0,1]=4 54 B10R1.4 c1ccc(c(c1)CC#N)Br BC227507 [0,1,0,0,0,0|1,0,1]=3 55 B10R1.4 c1ccc(c(c1)CCN)Br BC202041 [0,1,0,0,0,0|1,0,1]=3 56 B10R1.4 c1ccc(c(c1)CCO)N BC202238 [0,1,0,0,0,0|0,0,2]=3 57 B10R1.4 c1ccc(c(c1)N=C=O)Cl BC210104 [0,1,0,0,0,0|1,0,1]=3 58 B10R1.10 CCCc1cccc(c1)N BC679945 [0,1,0,0,0,0|1,0,1]=3 59 B10R1.10 CNCc1cccc(c1)Br BC653644 [0,1,0,0,0,0|2,0,0]=3 60 B10R1.10 c1cc(cc(c1)Br)CC#N BC203406 [0,1,0,0,0,0|1,0,1]=3 61 B10R1.10 c1cc(cc(c1)Br)CCO BC645716 [0,1,0,0,0,0|0,0,2]=3 62 B10R1.10 c1cc(cc(c1)O)CCN BC600077 [0,1,0,0,0,0|1,0,1]=3 63 B10R1.10 c1cc(cc(c1)O)\C=C\Br BC600241 [0,1,0,0,0,0|1,0,1]=3 64 B10R1.15 C#CC(c1ccccc1)O BC218343 [0,1,0,0,0,0|1,0,1]=3 65 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [0,1,0,0,0,0|1,0,1]=3 66 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [0,1,0,0,0,0|1,0,2]=4 67 B10R1.15 c1ccc(cc1)C(C#N)Br BC620262 [0,1,0,0,0,0|1,0,1]=3 68 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [0,1,0,0,0,0|1,0,1]=3 69 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [0,1,0,0,0,0|0,0,2]=3 70 B10R1.17 CNCCc1ccccn1 BC218953 [0,1,0,0,0,0|2,0,1]=4 71 B10R1.17 c1ccc(cc1)C#CCN BC211901 [0,1,0,0,0,0|1,0,2]=4 72 B10R1.17 c1ccc(cc1)C#CCO BC222107 [0,1,0,0,0,0|0,0,3]=4 73 B10R1.17 c1ccc(cc1)NCC#N BC219610 [0,1,0,0,0,0|1,0,1]=3 74 B10R1.17 c1ccc(cc1)OCCBr BC209483 [0,1,0,0,0,0|1,0,1]=3 75 B10R1.17 c1ccc(cc1)OCCO BC208517 [0,1,0,0,0,0|0,0,2]=3 76 B10R1.17 c1ccc(cc1)\C=C\C#N BC225038 [0,1,0,0,0,0|1,0,1]=3 77 B10R1.17 c1cnccc1CCCO BC222234 [0,1,0,0,0,0|1,0,2]=4 78 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [0,1,0,0,0,0|0,0,0]=1 79 B10R1.18 CC(C)Nc1ccccc1 BC208321 [0,1,0,0,0,0|2,0,1]=4 80 B10R1.18 c1c(cncn1)CC(=O)O BC228079 [0,1,0,0,0,0|2,0,0]=3 81 B10R1.18 c1cc(cnc1)CC(=O)O BC228147 [0,1,0,0,0,0|1,0,0]=2 82 B10R1.18 c1ccc(cc1)C=C(Br)Br BC600066 [0,1,0,0,0,0|1,0,1]=3 83 B10R1.18 c1ccnc(c1)CC(=O)O BC210696 [0,1,0,0,0,0|1,0,0]=2 84 B10R1.18 c1ccnc(c1)CC(=O)O BC653678 [0,1,0,0,0,0|1,0,0]=2 85 B10R1.18 c1cnccc1CC(=O)O BC220630 [0,1,0,0,0,0|1,0,0]=2 86 B8R0.4 CCC\C=C\C=C\C=O BC218795 [0,0,1,0,0,0|2,0,1]=4 87 B10R2.7 c1c[nH]c2c1ccnc2 BC213329 [0,0,0,1,0,0|2,0,1]=4 88 B10R2.7 c1c[nH]c2c1cncc2 BC208309 [0,0,0,1,0,0|2,0,1]=4 89 B10R2.7 c1cc2c(cc[nH]2)nc1 BC213328 [0,0,0,1,0,0|2,0,1]=4 90 B10R2.7 c1cc2c(nc1)CNC2 BC202976 [0,0,0,1,0,0|3,0,0]=4 91 B10R2.7 c1cc2c(nc1)CNC2 BC657106 [0,0,0,1,0,0|3,0,0]=4 92 B10R2.7 c1cc2c(nc1)CNC2 BC682032 [0,0,0,1,0,0|3,0,0]=4 93 B10R2.7 c1cc2c(nc1)CNC2 BC683702 [0,0,0,1,0,0|3,0,0]=4 94 B10R2.7 c1cc2cc[nH]c2nc1 BC213330 [0,0,0,1,0,0|2,0,1]=4 95 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [0,0,0,1,0,0|1,0,0]=2 96 B10R2.7 c1ccc2c(c1)CCN2 BC219733 [0,0,0,1,0,0|1,0,1]=3 97 B10R2.7 c1ccc2c(c1)CCO2 BC207982 [0,0,0,1,0,0|0,0,2]=3 98 B10R2.7 c1ccc2c(c1)CNC2 BC217544 [0,0,0,1,0,0|2,0,0]=3 99 B10R2.7 c1ccc2c(c1)CNC2 BC682033 [0,0,0,1,0,0|2,0,0]=3 100 B10R2.7 c1ccc2c(c1)[nH]nn2 BC227994 [0,0,0,1,0,0|3,0,0]=4 101 B10R2.7 c1ccc2c(c1)cn[nH]2 BC226232 [0,0,0,1,0,0|2,0,1]=4 102 B10R2.7 c1ccc2c(c1)nco2 BC200554 [0,0,0,1,0,0|1,0,1]=3 103 B10R2.7 c1ccn2ccnc2c1 BC228042 [0,0,0,1,0,0|2,0,1]=4 104 B10R2.7 c1cncc2c1CNC2 BC202975 [0,0,0,1,0,0|3,0,0]=4 105 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [0,0,0,1,0,0|0,0,0]=1 106 B7R0.1 CC\C=C\C=C\C=O BC218794 [1,0,1,0,0,0|0,0,2]=4 107 B7R1.3 Cc1cccnc1 BC228007 [2,0,0,0,0,0|1,0,0]=3 108 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [2,0,0,0,0,0|2,0,0]=4 109 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.3 c1cc(cnc1)Cl BC209276 [2,0,0,0,0,0|2,0,0]=4 111 B7R1.3 c1cc(cnc1)I BC225230 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.3 c1cc(cnc1)S BC244412 [2,0,0,0,0,0|1,1,0]=4 113 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [2,0,0,0,0,0|1,0,1]=4 114 B7R1.3 c1ccnc(c1)Cl BC653330 [2,0,0,0,0,0|2,0,0]=4 115 B7R1.3 c1cnc[nH]c1=O BC209585 [2,0,0,0,0,0|2,0,0]=4 116 B7R1.3 c1cnccc1Br BC204910 [2,0,0,0,0,0|2,0,0]=4 117 B7R1.3 c1cnccc1F BC219199 [2,0,0,0,0,0|2,0,0]=4 118 B7R1.3 c1cnccc1F BC227092 [2,0,0,0,0,0|2,0,0]=4 119 B7R1.3 c1cnccc1I BC206126 [2,0,0,0,0,0|2,0,0]=4 120 B7R1.3 c1cnccc1N BC227053 [2,0,0,0,0,0|2,0,0]=4 121 B9R1.1 C#Cc1ccc(cc1)F BC215301 [1,1,0,0,0,0|0,0,2]=4 122 B9R1.1 C#Cc1ccc(cc1)O BC671095 [1,1,0,0,0,0|0,0,2]=4 123 B9R1.1 C=Cc1ccc(cc1)F BC227580 [1,1,0,0,0,0|0,0,1]=3 124 B9R1.1 CNc1ccc(cc1)N BC220840 [1,1,0,0,0,0|1,0,1]=4 125 B9R1.1 COc1ccc(cc1)Br BC676620 [1,1,0,0,0,0|1,0,1]=4 126 B9R1.1 COc1ccc(cc1)N BC206279 [1,1,0,0,0,0|1,0,1]=4 127 B9R1.1 Cc1ccc(cc1)C#C BC213353 [1,1,0,0,0,0|0,0,2]=4 128 B9R1.1 Cc1ccc(cc1)C#N BC676397 [1,1,0,0,0,0|1,0,1]=4 129 B9R1.1 Cc1ccc(cc1)C=O BC211019 [1,1,0,0,0,0|0,0,0]=2 130 B9R1.1 Cc1ccc(cc1)CBr BC200614 [1,1,0,0,0,0|1,0,0]=3 131 B9R1.1 Cc1ccc(cc1)CN BC211128 [1,1,0,0,0,0|1,0,0]=3 132 B9R1.1 Cc1ccc(cc1)NN BC213413 [1,1,0,0,0,0|2,0,0]=4 133 B9R1.1 Cc1ccc(cc1)NN BC216063 [1,1,0,0,0,0|2,0,0]=4 134 B9R1.1 Cc1ccc(cn1)C=C BC219567 [1,1,0,0,0,0|1,0,1]=4 135 B9R1.1 Cc1ccc(nc1)C=C BC211746 [1,1,0,0,0,0|1,0,1]=4 136 B9R1.1 Cc1ccc(nc1)C=O BC207526 [1,1,0,0,0,0|1,0,0]=3 137 B9R1.1 Cc1ncc(cn1)C=O BC228073 [1,1,0,0,0,0|2,0,0]=4 138 B9R1.1 c1cc(ccc1C#N)N BC226364 [1,1,0,0,0,0|1,0,1]=4 139 B9R1.1 c1cc(ccc1C=O)Br BC213531 [1,1,0,0,0,0|0,0,0]=2 140 B9R1.1 c1cc(ccc1C=O)N BC204291 [1,1,0,0,0,0|0,0,0]=2 141 B9R1.1 c1cc(ccc1C=O)O BC227835 [1,1,0,0,0,0|0,0,0]=2 142 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [1,1,0,0,0,0|1,0,0]=3 143 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [1,1,0,0,0,0|1,0,0]=3 144 B9R1.1 c1cc(ccc1CN)N BC676433 [1,1,0,0,0,0|1,0,0]=3 145 B9R1.1 c1cc(ccc1CN)O BC210625 [1,1,0,0,0,0|1,0,0]=3 146 B9R1.1 c1cc(ccc1CO)I BC220492 [1,1,0,0,0,0|0,0,1]=3 147 B9R1.1 c1cc(ccc1CO)O BC227836 [1,1,0,0,0,0|0,0,1]=3 148 B9R1.1 c1cc(ccc1NN)Br BC213412 [1,1,0,0,0,0|2,0,0]=4 149 B9R1.1 c1cc(ccc1NN)Cl BC675025 [1,1,0,0,0,0|2,0,0]=4 150 B9R1.1 c1cc(ccc1NN)F BC206790 [1,1,0,0,0,0|2,0,0]=4 151 B9R1.1 c1cc(ncc1Br)C=O BC225554 [1,1,0,0,0,0|1,0,0]=3 152 B9R1.1 c1cc(ncc1Br)CO BC219783 [1,1,0,0,0,0|1,0,1]=4 153 B9R1.1 c1cc(ncc1C=O)Cl BC226370 [1,1,0,0,0,0|1,0,0]=3 154 B9R1.1 c1cc(ncc1C=O)F BC225548 [1,1,0,0,0,0|1,0,0]=3 155 B9R1.1 c1cc(ncc1C=O)N BC262229 [1,1,0,0,0,0|1,0,0]=3 156 B9R1.1 c1cc(ncc1C=O)O BC650796 [1,1,0,0,0,0|1,0,0]=3 157 B9R1.1 c1cc(ncc1CCl)Cl BC201251 [1,1,0,0,0,0|2,0,0]=4 158 B9R1.1 c1cc(ncc1CO)F BC221862 [1,1,0,0,0,0|1,0,1]=4 159 B9R1.1 c1cc(ncc1CO)O BC228000 [1,1,0,0,0,0|1,0,1]=4 160 B9R1.2 C#Cc1cccc(c1)F BC215302 [1,1,0,0,0,0|0,0,2]=4 161 B9R1.2 C#Cc1cccc(c1)N BC677915 [1,1,0,0,0,0|0,0,2]=4 162 B9R1.2 CCc1cccc(c1)Br BC675848 [1,1,0,0,0,0|0,0,1]=3 163 B9R1.2 CCc1cccc(c1)N BC219618 [1,1,0,0,0,0|0,0,1]=3 164 B9R1.2 COc1cccc(c1)Br BC208526 [1,1,0,0,0,0|1,0,1]=4 165 B9R1.2 CSc1cccc(c1)I BC210370 [1,1,0,0,0,0|1,0,1]=4 166 B9R1.2 Cc1cccc(c1)C#C BC221826 [1,1,0,0,0,0|0,0,2]=4 167 B9R1.2 Cc1cccc(n1)C=O BC202245 [1,1,0,0,0,0|1,0,0]=3 168 B9R1.2 Cc1cccc(n1)CO BC225232 [1,1,0,0,0,0|1,0,1]=4 169 B9R1.2 Cc1nccc(n1)C=O BC200464 [1,1,0,0,0,0|2,0,0]=4 170 B9R1.2 c1c(cncc1Br)CCl BC200350 [1,1,0,0,0,0|2,0,0]=4 171 B9R1.2 c1c(cncc1Br)CO BC207465 [1,1,0,0,0,0|1,0,1]=4 172 B9R1.2 c1c(cncc1F)C=O BC227139 [1,1,0,0,0,0|1,0,0]=3 173 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [1,1,0,0,0,0|0,0,0]=2 174 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [1,1,0,0,0,0|1,0,1]=4 175 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [1,1,0,0,0,0|0,0,0]=2 176 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [1,1,0,0,0,0|2,0,0]=4 177 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [1,1,0,0,0,0|1,0,0]=3 178 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [1,1,0,0,0,0|0,0,0]=2 179 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [1,1,0,0,0,0|2,0,0]=4 180 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [1,1,0,0,0,0|1,0,1]=4 181 B9R1.2 c1cc(nc(c1)Cl)C=O BC200574 [1,1,0,0,0,0|1,0,0]=3 182 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [1,1,0,0,0,0|1,0,1]=4 183 B9R1.2 c1cnc(cc1Br)CO BC222259 [1,1,0,0,0,0|1,0,1]=4 184 B9R1.2 c1cnc(cc1C=O)Br BC207461 [1,1,0,0,0,0|1,0,0]=3 185 B9R1.2 c1cnc(cc1C=O)Cl BC222332 [1,1,0,0,0,0|1,0,0]=3 186 B9R1.2 c1cnc(cc1C=O)O BC229040 [1,1,0,0,0,0|1,0,0]=3 187 B9R1.2 c1cnc(cc1CO)Br BC207432 [1,1,0,0,0,0|1,0,1]=4 188 B9R1.2 c1cnc(cc1CO)Cl BC208450 [1,1,0,0,0,0|1,0,1]=4 189 B9R1.2 c1cnc(cc1CO)N BC228974 [1,1,0,0,0,0|1,0,1]=4 190 B9R1.6 B(c1ccccc1)(O)O BC207007 [1,1,0,0,0,0|1,0,1]=4 191 B9R1.6 CC(=O)c1ccccc1 BC206207 [1,1,0,0,0,0|0,0,0]=2 192 B9R1.6 CC(=O)c1cccnc1 BC207736 [1,1,0,0,0,0|1,0,0]=3 193 B9R1.6 CC(=O)c1ccncc1 BC204635 [1,1,0,0,0,0|1,0,0]=3 194 B9R1.6 CC(=O)c1cncnc1 BC653324 [1,1,0,0,0,0|2,0,0]=4 195 B9R1.6 CN(c1ccccc1)N BC677890 [1,1,0,0,0,0|1,0,1]=4 196 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [1,1,0,0,0,0|0,0,1]=3 197 B9R1.6 C[C@H](c1ccccc1)N BC226220 [1,1,0,0,0,0|0,0,1]=3 198 B9R1.6 c1c(cncn1)C(=O)O BC227972 [1,1,0,0,0,0|2,0,0]=4 199 B9R1.6 c1c(cncn1)C(=O)O BC674875 [1,1,0,0,0,0|2,0,0]=4 200 B9R1.6 c1cc(cnc1)C(=O)Cl BC650712 [1,1,0,0,0,0|1,0,0]=3 201 B9R1.6 c1cc(cnc1)C(=O)N BC676662 [1,1,0,0,0,0|1,0,0]=3 202 B9R1.6 c1cc(cnc1)C(=O)[O-] BC220349 [1,1,0,0,0,0|1,0,0]=3 203 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [1,1,0,0,0,0|1,0,0]=3 204 B9R1.6 c1ccc(cc1)P(Cl)Cl BC226377 [1,1,0,0,0,0|2,0,0]=4 205 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [1,1,0,0,0,0|1,0,0]=3 206 B9R1.6 c1cnc(cn1)C(=O)Cl BC223499 [1,1,0,0,0,0|2,0,0]=4 207 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [1,1,0,0,0,0|2,0,0]=4 208 B9R1.6 c1cnc(nc1)C(=O)O BC228091 [1,1,0,0,0,0|2,0,0]=4 209 B9R1.6 c1cnccc1C(=N)N BC223492 [1,1,0,0,0,0|2,0,0]=4 210 B9R1.6 c1cncnc1C(=O)O BC201449 [1,1,0,0,0,0|2,0,0]=4 211 B9R1.6 c1cnncc1C(=O)O BC201463 [1,1,0,0,0,0|2,0,0]=4 212 B9R1.15 C#Cc1ccccc1Br BC215310 [1,1,0,0,0,0|0,0,2]=4 213 B9R1.15 CC[n+]1ccccc1Br BC202357 [1,1,0,0,0,0|1,0,1]=4 214 B9R1.15 CCc1ccccc1Br BC675847 [1,1,0,0,0,0|0,0,1]=3 215 B9R1.15 CNc1ccccc1F BC206749 [1,1,0,0,0,0|1,0,1]=4 216 B9R1.15 Cc1c(cccn1)C=O BC656201 [1,1,0,0,0,0|1,0,0]=3 217 B9R1.15 Cc1ccccc1C#C BC251006 [1,1,0,0,0,0|0,0,2]=4 218 B9R1.15 Cc1ccccc1C#N BC675264 [1,1,0,0,0,0|1,0,1]=4 219 B9R1.15 Cc1cccnc1C=O BC207525 [1,1,0,0,0,0|1,0,0]=3 220 B9R1.15 c1cc(c(nc1)C=O)Br BC227128 [1,1,0,0,0,0|1,0,0]=3 221 B9R1.15 c1cc(c(nc1)C=O)F BC200347 [1,1,0,0,0,0|1,0,0]=3 222 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [1,1,0,0,0,0|1,0,0]=3 223 B9R1.15 c1cc(c(nc1)Cl)C=O BC225225 [1,1,0,0,0,0|1,0,0]=3 224 B9R1.15 c1cc(c(nc1)F)C=O BC208207 [1,1,0,0,0,0|1,0,0]=3 225 B9R1.15 c1cc(c(nc1)N)C=O BC208204 [1,1,0,0,0,0|1,0,0]=3 226 B9R1.15 c1cc(c(nc1)N)CO BC208411 [1,1,0,0,0,0|1,0,1]=4 227 B9R1.15 c1ccc(c(c1)C#N)I BC211028 [1,1,0,0,0,0|1,0,1]=4 228 B9R1.15 c1ccc(c(c1)C#N)N BC227634 [1,1,0,0,0,0|1,0,1]=4 229 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [1,1,0,0,0,0|1,0,1]=4 230 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [1,1,0,0,0,0|0,0,0]=2 231 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [1,1,0,0,0,0|1,0,0]=3 232 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [1,1,0,0,0,0|1,0,0]=3 233 B9R1.15 c1ccc(c(c1)CN)I BC227344 [1,1,0,0,0,0|1,0,0]=3 234 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [1,1,0,0,0,0|0,0,1]=3 235 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [1,1,0,0,0,0|2,0,0]=4 236 B9R1.15 c1cnc(c(n1)C=O)Cl BC670991 [1,1,0,0,0,0|2,0,0]=4 237 B9R1.15 c1cncc(c1Br)C=O BC227127 [1,1,0,0,0,0|1,0,0]=3 238 B9R1.15 c1cncc(c1C=O)Br BC225219 [1,1,0,0,0,0|1,0,0]=3 239 B9R1.15 c1cncc(c1C=O)N BC208028 [1,1,0,0,0,0|1,0,0]=3 240 B9R1.15 c1cncc(c1CO)Cl BC256219 [1,1,0,0,0,0|1,0,1]=4 241 B9R1.15 c1cncc(c1Cl)CO BC679667 [1,1,0,0,0,0|1,0,1]=4 242 B9R1.15 c1cncc(c1N)C=O BC208029 [1,1,0,0,0,0|1,0,0]=3 243 B9R1.15 c1cncc(c1N)CO BC208026 [1,1,0,0,0,0|1,0,1]=4 244 B9R1.13 c1c(nc[nH]1)CC(=O)O BC224082 [0,1,0,0,1,0|2,0,0]=4 245 B9R1.13 c1cc(sc1)CC(=O)Cl BC684363 [0,1,0,0,1,0|1,0,0]=3 246 B9R1.13 c1cc(sc1)CC(=O)O BC201507 [0,1,0,0,1,0|1,0,0]=3 247 B9R1.13 c1cn(cn1)CC(=O)O BC216129 [0,1,0,0,1,0|2,0,0]=4 248 B9R1.13 c1cn(cn1)CC(=O)O BC216598 [0,1,0,0,1,0|2,0,0]=4 249 B9R1.13 c1cnc([nH]1)CC(=O)O BC237657 [0,1,0,0,1,0|2,0,0]=4 250 B9R1.13 c1cnn(c1)CC(=O)O BC620120 [0,1,0,0,1,0|2,0,0]=4 251 B11R1.1 c1cc(ccc1CCCBr)Cl BC681641 [0,2,0,0,0,0|1,0,1]=4 252 B11R1.1 c1cc(ccc1CCCO)Br BC653959 [0,2,0,0,0,0|0,0,2]=4 253 B11R1.1 c1cc(ccc1\C=C\CO)Br BC600228 [0,2,0,0,0,0|0,0,2]=4 254 B11R1.20 CC(=O)Cc1ccc(cc1)O BC211152 [0,2,0,0,0,0|0,0,0]=2 255 B11R1.20 CC(=O)Nc1ccc(cc1)O BC204766 [0,2,0,0,0,0|1,0,0]=3 256 B11R1.20 CC(=O)Nc1ccc(cc1)S BC210348 [0,2,0,0,0,0|1,0,0]=3 257 B11R1.20 CC(C)Cc1ccc(cc1)Br BC214997 [0,2,0,0,0,0|1,0,1]=4 258 B11R1.20 c1cc(ccc1CC(=O)O)Br BC203407 [0,2,0,0,0,0|0,0,0]=2 259 B11R1.20 c1cc(ccc1CC(=O)O)O BC228201 [0,2,0,0,0,0|0,0,0]=2 260 B11R1.22 CC(C=O)c1ccc(cc1)Cl BC681644 [0,2,0,0,0,0|0,0,0]=2 261 B11R1.22 Cc1ccc(cc1)C(C)C=O BC600219 [0,2,0,0,0,0|0,0,0]=2 262 B11R1.22 c1cc(ccc1C(CBr)Br)F BC203750 [0,2,0,0,0,0|1,0,1]=4 263 B11R1.81 CCCc1ccc(cc1O)O BC207608 [0,2,0,0,0,0|1,0,1]=4 264 B11R1.81 c1cc(c(cc1Cl)F)CC#N BC210978 [0,2,0,0,0,0|1,0,1]=4 265 B11R1.81 c1cc(c(cc1F)Cl)N=C=O BC226694 [0,2,0,0,0,0|1,0,1]=4 266 B11R1.83 CNCc1ccc(cc1)OC BC645310 [0,2,0,0,0,0|2,0,0]=4 267 B11R1.83 COCc1ccc(cc1)OC BC620665 [0,2,0,0,0,0|2,0,0]=4 268 B11R1.83 c1cc(ccc1CCN)C#N BC200242 [0,2,0,0,0,0|1,0,1]=4 269 B11R1.83 c1cc(ccc1CCN)C#N BC681147 [0,2,0,0,0,0|1,0,1]=4 270 B11R1.192 c1cc(c(cc1CC#N)Br)F BC650559 [0,2,0,0,0,0|1,0,1]=4 271 B11R1.192 c1cc(c(cc1CC#N)Cl)Cl BC203449 [0,2,0,0,0,0|1,0,1]=4 272 B11R1.192 c1cc(c(cc1CC#N)F)Cl BC210977 [0,2,0,0,0,0|1,0,1]=4 273 B11R1.192 c1cc(c(cc1CCN)O)O BC650941 [0,2,0,0,0,0|1,0,1]=4 274 B11R1.192 c1cc(c(cc1CCO)Cl)Cl BC641562 [0,2,0,0,0,0|0,0,2]=4 275 B11R1.17 c1ccc(c(c1)\C=C\C=O)F BC245599 [0,2,0,0,0,0|0,0,1]=3 276 B11R1.86 CC(=O)Cc1ccccc1Br BC202120 [0,2,0,0,0,0|0,0,0]=2 277 B11R1.86 c1ccc(c(c1)CC(=O)Cl)F BC204059 [0,2,0,0,0,0|0,0,0]=2 278 B11R1.86 c1ccc(c(c1)CC(=O)O)Br BC210254 [0,2,0,0,0,0|0,0,0]=2 279 B11R1.86 c1ccc(c(c1)CC(=O)O)Cl BC675213 [0,2,0,0,0,0|0,0,0]=2 280 B11R1.182 c1cc(c(cc1F)CC=O)F BC214124 [0,2,0,0,0,0|0,0,0]=2 281 B11R1.182 c1cc(c(cc1N)CCO)N BC209154 [0,2,0,0,0,0|0,0,2]=4 282 B11R1.605 c1nc(c(c(n1)Cl)CC=O)Cl BC652452 [0,2,0,0,0,0|2,0,0]=4 283 B11R1.23 c1cc(cc(c1)Cl)C(CN)O BC210180 [0,2,0,0,0,0|1,0,1]=4 284 B11R1.34 c1c(cc(cc1Br)Br)CC#N BC227528 [0,2,0,0,0,0|1,0,1]=4 285 B11R1.34 c1c(cc(cc1F)Br)CC#N BC650560 [0,2,0,0,0,0|1,0,1]=4 286 B11R1.157 c1c(cncc1Br)CC(=O)O BC670873 [0,2,0,0,0,0|1,0,0]=3 287 B11R1.157 c1cc(cc(c1)Br)CC(=O)O BC210255 [0,2,0,0,0,0|0,0,0]=2 288 B11R1.157 c1cc(cc(c1)Cl)CC(=O)O BC226914 [0,2,0,0,0,0|0,0,0]=2 289 B11R1.157 c1cc(cc(c1)I)CC(=O)O BC227537 [0,2,0,0,0,0|0,0,0]=2 290 B11R1.157 c1cc(cc(c1)N)CC(=O)O BC676470 [0,2,0,0,0,0|0,0,0]=2 291 B11R1.189 COc1cccc(c1)CCN BC207606 [0,2,0,0,0,0|1,0,1]=4 292 B11R1.12 COC(c1ccccc1)OC BC214177 [0,2,0,0,0,0|2,0,0]=4 293 B11R1.12 c1ccc(cc1)C(C#N)C#N BC677798 [0,2,0,0,0,0|1,0,1]=4 294 B11R1.16 COCC(=O)c1ccccc1 BC644213 [0,2,0,0,0,0|2,0,0]=4 295 B11R1.16 c1ccc(cc1)C(=O)CCBr BC675527 [0,2,0,0,0,0|1,0,1]=4 296 B11R1.16 c1ccc(cc1)[C@@H](CCCl)O BC681135 [0,2,0,0,0,0|1,0,1]=4 297 B11R1.16 c1ccc(cc1)[C@H](CCCl)O BC201664 [0,2,0,0,0,0|1,0,1]=4 298 B11R1.16 c1ccc(cc1)[C@H](CCO)N BC202108 [0,2,0,0,0,0|0,0,2]=4 299 B11R1.36 C=C(c1ccccc1)C(=O)O BC653116 [0,2,0,0,0,0|0,0,1]=3 300 B11R1.36 CC(C)[C@@H](c1ccccc1)N BC687879 [0,2,0,0,0,0|1,0,1]=4 301 B11R1.36 c1ccc(cc1)C(=O)C(=O)O BC215722 [0,2,0,0,0,0|0,0,1]=3 302 B11R1.36 c1ccc(cc1)C(C(=O)N)N BC216078 [0,2,0,0,0,0|0,0,0]=2 303 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC204233 [0,2,0,0,0,0|0,0,0]=2 304 B11R1.36 c1ccc(cc1)C(C(=O)O)O BC250758 [0,2,0,0,0,0|0,0,0]=2 305 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)N BC675296 [0,2,0,0,0,0|0,0,0]=2 306 B11R1.36 c1ccc(cc1)[C@@H](C(=O)O)O BC677633 [0,2,0,0,0,0|0,0,0]=2 307 B11R1.28 c1ccc(cc1)CNCCO BC201328 [0,2,0,0,0,0|0,0,2]=4 308 B11R1.28 c1ccc(cc1)COCC=O BC269066 [0,2,0,0,0,0|0,0,0]=2 309 B11R1.40 c1ccc(cc1)OC(=O)CBr BC200214 [0,2,0,0,0,0|1,0,0]=3 310 B11R1.91 CC(CCc1ccccc1)N BC653661 [0,2,0,0,0,0|1,0,1]=4 311 B11R1.91 c1cc(cnc1)\C=C\C(=O)O BC204442 [0,2,0,0,0,0|1,0,1]=4 312 B11R1.91 c1cc(cnc1)\C=C\C(=O)O BC630675 [0,2,0,0,0,0|1,0,1]=4 313 B11R1.91 c1ccc(cc1)COC(=O)N BC219591 [0,2,0,0,0,0|0,0,0]=2 314 B11R1.91 c1ccc(cc1)\C=C\C(=O)Cl BC651782 [0,2,0,0,0,0|0,0,1]=3 315 B11R1.91 c1ccnc(c1)OCC(=O)O BC682036 [0,2,0,0,0,0|1,0,0]=3 316 B11R1.91 c1cnccc1\C=C\C(=O)O BC204449 [0,2,0,0,0,0|1,0,1]=4 317 B11R1.509 CC(C)(Cc1ccccc1)O BC677508 [0,2,0,0,0,0|0,0,2]=4 318 B11R1.509 C[N+](C)(C)Cc1ccccc1 BC216106 [0,2,0,0,0,0|2,0,0]=4 319 B9R2.50 c1ccc2c(c1)CC2 BC658499 [1,0,0,1,0,0|0,0,1]=3 320 B11R2.36 c1cc(cc2c1cc[nH]2)Br BC207398 [0,1,0,1,0,0|1,0,1]=4 321 B11R2.36 c1cc(cc2c1cc[nH]2)F BC214939 [0,1,0,1,0,0|1,0,1]=4 322 B11R2.36 c1cc(cc2c1cc[nH]2)N BC201232 [0,1,0,1,0,0|1,0,1]=4 323 B11R2.36 c1cc(cc2c1cc[nH]2)O BC213327 [0,1,0,1,0,0|1,0,1]=4 324 B11R2.36 c1cc2c(cc1Br)NCC2 BC676536 [0,1,0,1,0,0|1,0,1]=4 325 B11R2.36 c1cc2c(cc1Br)nco2 BC221842 [0,1,0,1,0,0|1,0,1]=4 326 B11R2.36 c1cc2c(cc1Cl)scn2 BC274637 [0,1,0,1,0,0|1,1,0]=4 327 B11R2.36 c1cc2c(cc1N)COC2 BC677010 [0,1,0,1,0,0|2,0,0]=4 328 B11R2.36 c1cc2c(cc1N)nc[nH]2 BC677353 [0,1,0,1,0,0|2,0,0]=4 329 B11R2.36 c1cc2c(cc[nH]2)cc1Br BC200873 [0,1,0,1,0,0|1,0,1]=4 330 B11R2.36 c1cc2c(cc[nH]2)cc1F BC200753 [0,1,0,1,0,0|1,0,1]=4 331 B11R2.36 c1cc2c(cc[nH]2)cc1N BC204540 [0,1,0,1,0,0|1,0,1]=4 332 B11R2.36 c1cc2c(cc[nH]2)cc1O BC201869 [0,1,0,1,0,0|1,0,1]=4 333 B11R2.36 c1cc2c(cco2)cc1Br BC677388 [0,1,0,1,0,0|0,0,2]=4 334 B11R2.36 c1cc2c(ccs2)cc1Br BC222298 [0,1,0,1,0,0|0,1,1]=4 335 B11R2.10 Cc1cc2ccccc2[nH]1 BC200996 [0,1,0,1,0,0|1,0,1]=4 336 B11R2.10 Cc1cc2ccccc2o1 BC600174 [0,1,0,1,0,0|0,0,2]=4 337 B11R2.10 Cc1cc2ccccc2o1 BC600186 [0,1,0,1,0,0|0,0,2]=4 338 B11R2.10 c1cc2c([nH]c(=O)o2)nc1 BC214905 [0,1,0,1,0,0|2,0,0]=4 339 B11R2.10 c1cc2c(nc1)CC(=O)N2 BC684571 [0,1,0,1,0,0|1,0,0]=3 340 B11R2.10 c1ccc2=NC(=O)N=c2c1 BC219990 [0,1,0,1,0,0|1,0,0]=3 341 B11R2.10 c1ccc2c(c1)CC(=O)C2 BC214987 [0,1,0,1,0,0|0,0,0]=2 342 B11R2.10 c1ccc2c(c1)CC(C2)N BC214992 [0,1,0,1,0,0|1,0,1]=4 343 B11R2.10 c1ccc2c(c1)CC(C2)N BC645558 [0,1,0,1,0,0|1,0,1]=4 344 B11R2.10 c1ccc2c(c1)CC(C2)O BC214988 [0,1,0,1,0,0|0,0,2]=4 345 B11R2.10 c1ccc2c(c1)[nH]c(=O)o2 BC200827 [0,1,0,1,0,0|1,0,0]=3 346 B11R2.10 c1ccc2c(c1)[nH]c(n2)S BC201300 [0,1,0,1,0,0|1,1,0]=4 347 B11R2.10 c1ccc2c(c1)nc(s2)S BC202804 [0,1,0,1,0,0|1,1,0]=4 348 B11R2.106 Cc1cccc2c1C=CC2 BC600102 [0,1,0,1,0,0|1,0,0]=3 349 B11R2.106 Cc1cccc2c1cc[nH]2 BC220885 [0,1,0,1,0,0|1,0,1]=4 350 B11R2.106 c1cc(c2c(c1)scn2)O BC675260 [0,1,0,1,0,0|1,1,0]=4 351 B11R2.106 c1cc2c(c(c1)Br)CC=C2 BC600259 [0,1,0,1,0,0|1,0,0]=3 352 B11R2.106 c1cc2c(c(c1)F)CCN2 BC671227 [0,1,0,1,0,0|1,0,1]=4 353 B11R2.106 c1cc2c(cc[nH]2)c(c1)Br BC205338 [0,1,0,1,0,0|1,0,1]=4 354 B11R2.106 c1cc2c(cc[nH]2)c(c1)Cl BC215880 [0,1,0,1,0,0|1,0,1]=4 355 B11R2.106 c1cc2c(cc[nH]2)c(c1)O BC202321 [0,1,0,1,0,0|1,0,1]=4 356 B11R2.106 c1cc2c(ccs2)c(c1)Br BC645851 [0,1,0,1,0,0|0,1,1]=4 357 B11R2.106 c1cc2c(ccs2)c(c1)Cl BC206324 [0,1,0,1,0,0|0,1,1]=4 358 B11R2.106 c1cc2cc[nH]c2c(c1)F BC214940 [0,1,0,1,0,0|1,0,1]=4 359 B11R2.35 c1cc(cc(c1)Cl)[C@@H]2CO2 BC220567 [0,1,0,1,0,0|0,0,2]=4 360 B11R2.1 CC1=CCc2c1cccc2 BC600789 [0,1,0,1,0,0|1,0,0]=3 361 B11R2.1 CC1C=Cc2c1cccc2 BC600788 [0,1,0,1,0,0|1,0,0]=3 362 B11R2.1 c1ccc2c(c1)C=CC2=O BC264695 [0,1,0,1,0,0|0,0,1]=3 363 B11R2.1 c1ccc2c(c1)CCC2=O BC210634 [0,1,0,1,0,0|0,0,0]=2 364 B11R2.1 c1ccc2c(c1)CCC2N BC228055 [0,1,0,1,0,0|1,0,1]=4 365 B11R2.1 c1ccc2c(c1)CCC2N BC653269 [0,1,0,1,0,0|1,0,1]=4 366 B11R2.1 c1ccc2c(c1)CC[C@@H]2N BC679090 [0,1,0,1,0,0|1,0,1]=4 367 B11R2.1 c1ccc2c(c1)c(=O)[nH]s2 BC210059 [0,1,0,1,0,0|1,0,0]=3 368 B11R2.1 c1ccc2c(c1)c(c[nH]2)Br BC220142 [0,1,0,1,0,0|1,0,1]=4 369 B11R2.1 c1ccc2c(c1)c(c[nH]2)Cl BC678897 [0,1,0,1,0,0|1,0,1]=4 370 B11R2.1 c1ccc2c(c1)c(c[nH]2)O BC676558 [0,1,0,1,0,0|0,0,2]=4 371 B11R2.1 c1ccc2c(c1)c(n[nH]2)Br BC203656 [0,1,0,1,0,0|2,0,0]=4 372 B11R2.1 c1ccc2c(c1)c(n[nH]2)I BC205463 [0,1,0,1,0,0|2,0,0]=4 373 B11R2.1 c1ccc2c(c1)c(ns2)Cl BC207416 [0,1,0,1,0,0|2,0,0]=4 374 B11R2.1 c1ccc2c(c1)c(ns2)N BC221828 [0,1,0,1,0,0|2,0,0]=4 375 B7R1.1 CCc1cccs1 BC210545 [1,0,0,0,1,0|1,0,1]=4 376 B7R1.1 c1c(nc[nH]1)C=O BC207063 [1,0,0,0,1,0|2,0,0]=4 377 B7R1.1 c1c(scn1)C=O BC678913 [1,0,0,0,1,0|2,0,0]=4 378 B7R1.1 c1c[nH]nc1C=O BC207627 [1,0,0,0,1,0|2,0,0]=4 379 B7R1.1 c1cc([nH]c1)C=O BC210794 [1,0,0,0,1,0|1,0,0]=3 380 B7R1.1 c1cc([nH]c1)CN BC620340 [1,0,0,0,1,0|2,0,0]=4 381 B7R1.1 c1cc(sc1)C=O BC225721 [1,0,0,0,1,0|1,0,0]=3 382 B7R1.1 c1cn(cn1)C=O BC222414 [1,0,0,0,1,0|2,0,0]=4 383 B7R1.1 c1cnc([nH]1)C=O BC219962 [1,0,0,0,1,0|2,0,0]=4 384 B7R1.1 c1cnsc1C=O BC677321 [1,0,0,0,1,0|2,0,0]=4 385 B7R1.1 c1conc1C=O BC201897 [1,0,0,0,1,0|2,0,0]=4 386 B7R1.1 c1cscc1C=O BC676777 [1,0,0,0,1,0|1,0,0]=3 387 B7R1.1 c1cscc1CN BC655305 [1,0,0,0,1,0|2,0,0]=4