0 B8R1.2 C#Cc1ccccn1 BC225212 [0,0,0,0,0,0|1,0,1]=2 1 B8R1.2 C#Cc1ccncc1 BC677907 [0,0,0,0,0,0|3,0,1]=4 2 B8R1.2 C=Cc1cccnc1 BC675972 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.2 CCc1cccnc1 BC223674 [0,0,0,0,0,0|3,0,0]=3 4 B8R1.2 COc1cccnc1 BC653137 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [0,0,0,0,0,0|3,0,0]=3 6 B8R1.2 c1c(cncn1)CBr BC678767 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.2 c1c(cncn1)CCl BC678766 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.2 c1c(cncn1)CO BC228080 [0,0,0,0,0,0|3,1,0]=4 9 B8R1.2 c1cc(cnc1)C=O BC221128 [0,0,0,0,0,0|2,1,1]=4 10 B8R1.2 c1cc(cnc1)CBr BC258182 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 c1cc(cnc1)CBr BC281217 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 c1cc(cnc1)CCl BC204269 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 c1cc(cnc1)CN BC205833 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 c1cc(cnc1)CO BC209311 [0,0,0,0,0,0|2,1,0]=3 15 B8R1.2 c1cc(cnc1)NN BC231979 [0,0,0,0,0,0|4,0,0]=4 16 B8R1.2 c1cc(cnc1)NN BC686688 [0,0,0,0,0,0|4,0,0]=4 17 B8R1.2 c1cc(cnc1)NN BC686691 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 c1cc(nnc1)C=O BC667339 [0,0,0,0,0,0|1,1,1]=3 19 B8R1.2 c1ccc(cc1)CBr BC220250 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.2 c1ccc(cc1)CCl BC210975 [0,0,0,0,0,0|2,0,0]=2 21 B8R1.2 c1ccc(cc1)CO BC222892 [0,0,0,0,0,0|1,1,0]=2 22 B8R1.2 c1ccc(cc1)N=O BC684726 [0,0,0,0,0,0|2,1,0]=3 23 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.2 c1ccnc(c1)CCl BC213218 [0,0,0,0,0,0|1,0,0]=1 25 B8R1.2 c1ccnc(c1)CCl BC227992 [0,0,0,0,0,0|1,0,0]=1 26 B8R1.2 c1cnc(cn1)C=O BC681558 [0,0,0,0,0,0|1,1,1]=3 27 B8R1.2 c1cnc(nc1)C#N BC206497 [0,0,0,0,0,0|2,0,1]=3 28 B8R1.2 c1cnc(nc1)C=O BC228094 [0,0,0,0,0,0|1,1,1]=3 29 B8R1.2 c1cnc(nc1)CCl BC212037 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.2 c1cnc(nc1)CN BC671460 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.2 c1cncnc1C=O BC652156 [0,0,0,0,0,0|1,1,1]=3 32 B8R1.2 c1cncnc1CO BC228082 [0,0,0,0,0,0|1,1,0]=2 33 B7R1.3 Cc1cccnc1 BC228007 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [1,0,0,0,0,0|1,1,0]=3 35 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [1,0,0,0,0,0|1,1,1]=4 36 B7R1.3 c1cc(cnc1)Cl BC209276 [1,0,0,0,0,0|3,0,0]=4 37 B7R1.3 c1cc(cnc1)I BC225230 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.3 c1cc(cnc1)S BC244412 [1,0,0,0,0,0|2,0,0]=3 39 B7R1.3 c1cc(nnc1)Cl BC675997 [1,0,0,0,0,0|2,0,0]=3 40 B7R1.3 c1cc(nnc1)N BC649957 [1,0,0,0,0,0|2,0,0]=3 41 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [1,0,0,0,0,0|2,1,0]=4 42 B7R1.3 c1ccnc(c1)Cl BC653330 [1,0,0,0,0,0|1,0,0]=2 43 B7R1.3 c1cnc(cn1)Cl BC226186 [1,0,0,0,0,0|2,0,0]=3 44 B7R1.3 c1cnc(nc1)N BC209308 [1,0,0,0,0,0|2,0,0]=3 45 B7R1.3 c1cnc(nc1)O BC209309 [1,0,0,0,0,0|1,1,0]=3 46 B7R1.3 c1cnc(nc1)S BC227980 [1,0,0,0,0,0|1,0,0]=2 47 B7R1.3 c1cnc[nH]c1=O BC209585 [1,0,0,0,0,0|1,1,1]=4 48 B7R1.3 c1cnccc1Br BC204910 [1,0,0,0,0,0|3,0,0]=4 49 B7R1.3 c1cnccc1F BC219199 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.3 c1cnccc1F BC227092 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.3 c1cnccc1I BC206126 [1,0,0,0,0,0|3,0,0]=4 52 B7R1.3 c1cnccc1N BC227053 [1,0,0,0,0,0|3,0,0]=4 53 B7R1.3 c1cncnc1Cl BC667224 [1,0,0,0,0,0|2,0,0]=3 54 B7R1.3 c1cncnc1N BC653395 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.3 c1cncnc1O BC228083 [1,0,0,0,0,0|1,1,0]=3 56 B9R1.1 C#Cc1ccc(cc1)F BC215301 [0,1,0,0,0,0|2,0,1]=4 57 B9R1.1 C#Cc1ccc(cc1)O BC671095 [0,1,0,0,0,0|2,0,1]=4 58 B9R1.1 C#Cc1ccc(cn1)Br BC227061 [0,1,0,0,0,0|1,0,1]=3 59 B9R1.1 C=Cc1ccc(cc1)F BC227580 [0,1,0,0,0,0|2,0,1]=4 60 B9R1.1 CNc1ccc(cc1)N BC220840 [0,1,0,0,0,0|3,0,0]=4 61 B9R1.1 COc1ccc(cc1)Br BC676620 [0,1,0,0,0,0|3,0,0]=4 62 B9R1.1 COc1ccc(cc1)N BC206279 [0,1,0,0,0,0|3,0,0]=4 63 B9R1.1 COc1ccc(cn1)F BC208854 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.1 COc1ccc(cn1)I BC228888 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 COc1ccc(cn1)N BC204592 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 COc1ccc(cn1)O BC678852 [0,1,0,0,0,0|2,0,0]=3 67 B9R1.1 Cc1ccc(cc1)C#C BC213353 [0,1,0,0,0,0|2,0,1]=4 68 B9R1.1 Cc1ccc(cc1)C#N BC676397 [0,1,0,0,0,0|2,0,1]=4 69 B9R1.1 Cc1ccc(cc1)C=O BC211019 [0,1,0,0,0,0|1,1,1]=4 70 B9R1.1 Cc1ccc(cc1)CBr BC200614 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.1 Cc1ccc(cc1)CN BC211128 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.1 Cc1ccc(cc1)NN BC213413 [0,1,0,0,0,0|3,0,0]=4 73 B9R1.1 Cc1ccc(cc1)NN BC216063 [0,1,0,0,0,0|3,0,0]=4 74 B9R1.1 Cc1ccc(nc1)C#N BC211802 [0,1,0,0,0,0|1,0,1]=3 75 B9R1.1 Cc1ccc(nc1)C=C BC211746 [0,1,0,0,0,0|1,0,1]=3 76 B9R1.1 Cc1ccc(nc1)C=O BC207526 [0,1,0,0,0,0|0,1,1]=3 77 B9R1.1 c1c(cnc(n1)C#N)Br BC228064 [0,1,0,0,0,0|2,0,1]=4 78 B9R1.1 c1c(cnc(n1)C#N)Cl BC228065 [0,1,0,0,0,0|2,0,1]=4 79 B9R1.1 c1cc(ccc1C#N)N BC226364 [0,1,0,0,0,0|2,0,1]=4 80 B9R1.1 c1cc(ccc1C=O)Br BC213531 [0,1,0,0,0,0|1,1,1]=4 81 B9R1.1 c1cc(ccc1C=O)N BC204291 [0,1,0,0,0,0|1,1,1]=4 82 B9R1.1 c1cc(ccc1C=O)O BC227835 [0,1,0,0,0,0|1,1,1]=4 83 B9R1.1 c1cc(ccc1CBr)Cl BC202439 [0,1,0,0,0,0|2,0,0]=3 84 B9R1.1 c1cc(ccc1CCl)Cl BC678529 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.1 c1cc(ccc1CN)N BC676433 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.1 c1cc(ccc1CN)O BC210625 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.1 c1cc(ccc1CO)I BC220492 [0,1,0,0,0,0|1,1,0]=3 88 B9R1.1 c1cc(ccc1CO)O BC227836 [0,1,0,0,0,0|1,1,0]=3 89 B9R1.1 c1cc(ccc1NN)Br BC213412 [0,1,0,0,0,0|3,0,0]=4 90 B9R1.1 c1cc(ccc1NN)Cl BC675025 [0,1,0,0,0,0|3,0,0]=4 91 B9R1.1 c1cc(ccc1NN)F BC206790 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.1 c1cc(ncc1Br)C#N BC208460 [0,1,0,0,0,0|1,0,1]=3 93 B9R1.1 c1cc(ncc1Br)C=O BC225554 [0,1,0,0,0,0|0,1,1]=3 94 B9R1.1 c1cc(ncc1Br)CO BC219783 [0,1,0,0,0,0|0,1,0]=2 95 B9R1.1 c1cc(ncc1CCl)Cl BC201251 [0,1,0,0,0,0|3,0,0]=4 96 B9R1.1 c1cc(ncc1CO)F BC221862 [0,1,0,0,0,0|2,1,0]=4 97 B9R1.1 c1cc(ncc1CO)O BC228000 [0,1,0,0,0,0|2,1,0]=4 98 B9R1.1 c1cc(ncc1Cl)C#N BC208461 [0,1,0,0,0,0|1,0,1]=3 99 B9R1.1 c1cc(ncc1N)C#N BC208373 [0,1,0,0,0,0|1,0,1]=3 100 B9R1.1 c1cc(ncc1O)C#N BC208383 [0,1,0,0,0,0|1,0,1]=3 101 B9R1.1 c1cc(nnc1C#N)Cl BC659661 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.2 C#Cc1cccc(c1)F BC215302 [0,1,0,0,0,0|2,0,1]=4 103 B9R1.2 C#Cc1cccc(c1)N BC677915 [0,1,0,0,0,0|2,0,1]=4 104 B9R1.2 CCc1cccc(c1)Br BC675848 [0,1,0,0,0,0|2,0,0]=3 105 B9R1.2 CCc1cccc(c1)N BC219618 [0,1,0,0,0,0|2,0,0]=3 106 B9R1.2 COc1cc(ccn1)I BC221863 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.2 COc1cccc(c1)Br BC208526 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.2 COc1cccc(n1)N BC205868 [0,1,0,0,0,0|2,0,0]=3 109 B9R1.2 COc1ccnc(n1)Br BC676344 [0,1,0,0,0,0|3,0,0]=4 110 B9R1.2 COc1ccnc(n1)N BC659015 [0,1,0,0,0,0|3,0,0]=4 111 B9R1.2 CSc1[nH]c(=O)ccn1 BC215669 [0,1,0,0,0,0|3,0,0]=4 112 B9R1.2 CSc1cccc(c1)I BC210370 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.2 CSc1ccnc(n1)Cl BC200466 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.2 CSc1nccc(n1)Cl BC200467 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.2 Cc1cccc(c1)C#C BC221826 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.2 Cc1cccc(n1)C#N BC207373 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.2 Cc1cccc(n1)C=O BC202245 [0,1,0,0,0,0|0,1,1]=3 118 B9R1.2 Cc1cccc(n1)CO BC225232 [0,1,0,0,0,0|0,1,0]=2 119 B9R1.2 Cc1cccc(n1)OC BC207375 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.2 Cc1nccc(n1)C=O BC200464 [0,1,0,0,0,0|1,1,1]=4 121 B9R1.2 Cc1nccc(n1)CO BC684778 [0,1,0,0,0,0|1,1,0]=3 122 B9R1.2 c1c(cncc1Br)CCl BC200350 [0,1,0,0,0,0|3,0,0]=4 123 B9R1.2 c1c(cncc1Br)CO BC207465 [0,1,0,0,0,0|2,1,0]=4 124 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [0,1,0,0,0,0|1,1,1]=4 125 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [0,1,0,0,0,0|2,0,1]=4 126 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [0,1,0,0,0,0|1,1,1]=4 127 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [0,1,0,0,0,0|3,0,0]=4 128 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [0,1,0,0,0,0|1,1,1]=4 130 B9R1.2 c1cc(nc(c1)Br)C#N BC207510 [0,1,0,0,0,0|1,0,1]=3 131 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [0,1,0,0,0,0|1,0,0]=2 132 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [0,1,0,0,0,0|0,1,0]=2 133 B9R1.2 c1cc(nc(c1)Br)NN BC679670 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.2 c1cc(nc(c1)Cl)C=O BC200574 [0,1,0,0,0,0|0,1,1]=3 135 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [0,1,0,0,0,0|0,1,0]=2 136 B9R1.2 c1cc(nc(c1)F)C#N BC227121 [0,1,0,0,0,0|1,0,1]=3 137 B9R1.2 c1cnc(cc1Br)CO BC222259 [0,1,0,0,0,0|0,1,0]=2 138 B9R1.2 c1cnc(cc1CO)Br BC207432 [0,1,0,0,0,0|2,1,0]=4 139 B9R1.2 c1cnc(cc1CO)Cl BC208450 [0,1,0,0,0,0|2,1,0]=4 140 B9R1.2 c1cnc(cc1CO)N BC228974 [0,1,0,0,0,0|2,1,0]=4 141 B9R1.6 B(c1ccccc1)(O)O BC207007 [0,1,0,0,0,0|2,1,0]=4 142 B9R1.6 B(c1ccccn1)(O)O BC210694 [0,1,0,0,0,0|1,1,0]=3 143 B9R1.6 B(c1ncccn1)(O)O BC270429 [0,1,0,0,0,0|2,1,0]=4 144 B9R1.6 CC(=O)c1ccccc1 BC206207 [0,1,0,0,0,0|1,1,1]=4 145 B9R1.6 CN(c1ccccc1)N BC677890 [0,1,0,0,0,0|3,0,0]=4 146 B9R1.6 C[C@@H](c1ccccc1)N BC676690 [0,1,0,0,0,0|2,0,0]=3 147 B9R1.6 C[C@H](c1ccccc1)N BC226220 [0,1,0,0,0,0|2,0,0]=3 148 B9R1.6 c1ccc(cc1)C(=N)N BC228100 [0,1,0,0,0,0|2,0,1]=4 149 B9R1.6 c1ccc(cc1)P(Cl)Cl BC226377 [0,1,0,0,0,0|3,0,0]=4 150 B9R1.6 c1ccnc(c1)C(=O)[O-] BC220351 [0,1,0,0,0,0|0,1,1]=3 151 B9R1.6 c1cnc(cn1)C(=O)Cl BC223499 [0,1,0,0,0,0|1,1,1]=4 152 B9R1.6 c1cnc(cn1)C(=O)O BC676806 [0,1,0,0,0,0|1,1,1]=4 153 B9R1.6 c1cnc(nc1)C(=O)O BC228091 [0,1,0,0,0,0|1,1,1]=4 154 B9R1.6 c1cncnc1C(=O)O BC201449 [0,1,0,0,0,0|1,1,1]=4 155 B9R1.8 c1cc(cnc1)CCN BC226643 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.8 c1ccc(cc1)CC=O BC250050 [0,1,0,0,0,0|1,1,0]=3 157 B9R1.8 c1ccc(cc1)CCBr BC203736 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.8 c1ccc(cc1)CCO BC213746 [0,1,0,0,0,0|1,1,0]=3 159 B9R1.8 c1ccc(cc1)CNN BC652179 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.8 c1ccc(cc1)CNN BC676720 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.8 c1ccnc(c1)CCBr BC216605 [0,1,0,0,0,0|1,0,0]=2 162 B9R1.8 c1cnccc1CCBr BC683652 [0,1,0,0,0,0|3,0,0]=4 163 B9R1.8 c1cnccc1CCO BC201212 [0,1,0,0,0,0|2,1,0]=4 164 B9R1.15 C#Cc1ccccc1Br BC215310 [0,1,0,0,0,0|2,0,1]=4 165 B9R1.15 CC[n+]1ccccc1Br BC202357 [0,1,0,0,0,0|3,0,0]=4 166 B9R1.15 CCc1c(nccn1)C BC210593 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.15 CCc1c(nccn1)Cl BC210275 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.15 CCc1ccccc1Br BC675847 [0,1,0,0,0,0|2,0,0]=3 169 B9R1.15 CNc1ccccc1F BC206749 [0,1,0,0,0,0|3,0,0]=4 170 B9R1.15 COc1c(cccn1)I BC216931 [0,1,0,0,0,0|2,0,0]=3 171 B9R1.15 Cc1ccccc1C#C BC251006 [0,1,0,0,0,0|2,0,1]=4 172 B9R1.15 Cc1ccccc1C#N BC675264 [0,1,0,0,0,0|2,0,1]=4 173 B9R1.15 Cc1cccnc1C=O BC207525 [0,1,0,0,0,0|0,1,1]=3 174 B9R1.15 c1cc(c(nc1)C#N)Br BC222456 [0,1,0,0,0,0|1,0,1]=3 175 B9R1.15 c1cc(c(nc1)C#N)N BC207484 [0,1,0,0,0,0|1,0,1]=3 176 B9R1.15 c1cc(c(nc1)C=O)Br BC227128 [0,1,0,0,0,0|0,1,1]=3 177 B9R1.15 c1cc(c(nc1)C=O)F BC200347 [0,1,0,0,0,0|0,1,1]=3 178 B9R1.15 c1cc(c(nc1)C=O)O BC222334 [0,1,0,0,0,0|0,1,1]=3 179 B9R1.15 c1cc(c(nc1)N)CO BC208411 [0,1,0,0,0,0|2,1,0]=4 180 B9R1.15 c1ccc(c(c1)C#N)I BC211028 [0,1,0,0,0,0|2,0,1]=4 181 B9R1.15 c1ccc(c(c1)C#N)N BC227634 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.15 c1ccc(c(c1)C#N)O BC211029 [0,1,0,0,0,0|2,0,1]=4 183 B9R1.15 c1ccc(c(c1)C=O)Br BC227689 [0,1,0,0,0,0|1,1,1]=4 184 B9R1.15 c1ccc(c(c1)CBr)Cl BC226691 [0,1,0,0,0,0|2,0,0]=3 185 B9R1.15 c1ccc(c(c1)CBr)F BC675325 [0,1,0,0,0,0|2,0,0]=3 186 B9R1.15 c1ccc(c(c1)CN)I BC227344 [0,1,0,0,0,0|2,0,0]=3 187 B9R1.15 c1ccc(c(c1)CO)Br BC211129 [0,1,0,0,0,0|1,1,0]=3 188 B9R1.15 c1ccc(c(c1)NN)Br BC685827 [0,1,0,0,0,0|3,0,0]=4 189 B9R1.15 c1cnc(c(n1)C=O)Cl BC670991 [0,1,0,0,0,0|1,1,1]=4 190 B9R1.15 c1cncc(c1CO)Cl BC256219 [0,1,0,0,0,0|2,1,0]=4 191 B9R1.15 c1cncc(c1Cl)CO BC679667 [0,1,0,0,0,0|2,1,0]=4 192 B9R1.15 c1cncc(c1N)CO BC208026 [0,1,0,0,0,0|2,1,0]=4 193 B7R0.1 CC\C=C\C=C\C=O BC218794 [0,0,1,0,0,0|2,0,0]=3 194 B9R2.50 c1ccc2c(c1)CC2 BC658499 [0,0,0,1,0,0|2,0,0]=3 195 B7R1.1 CCc1cccs1 BC210545 [0,0,0,0,1,0|2,0,0]=3 196 B7R1.1 CCn1cncn1 BC207618 [0,0,0,0,1,0|3,0,0]=4 197 B7R1.1 CSc1[nH]ccn1 BC600114 [0,0,0,0,1,0|3,0,0]=4 198 B7R1.1 c1c(nc[nH]1)C=O BC207063 [0,0,0,0,1,0|1,1,1]=4 199 B7R1.1 c1c(ncs1)CBr BC658988 [0,0,0,0,1,0|2,0,0]=3 200 B7R1.1 c1c(scn1)CO BC200640 [0,0,0,0,1,0|2,1,0]=4 201 B7R1.1 c1c[nH]nc1C=O BC207627 [0,0,0,0,1,0|1,1,1]=4 202 B7R1.1 c1c[nH]nc1CO BC657829 [0,0,0,0,1,0|1,1,0]=3 203 B7R1.1 c1cc([nH]c1)C=O BC210794 [0,0,0,0,1,0|0,1,2]=4 204 B7R1.1 c1cc([nH]c1)CN BC620340 [0,0,0,0,1,0|1,0,1]=3 205 B7R1.1 c1cc(sc1)C#N BC205596 [0,0,0,0,1,0|2,0,1]=4 206 B7R1.1 c1cc(sc1)C=O BC225721 [0,0,0,0,1,0|1,1,1]=4 207 B7R1.1 c1cnc([nH]1)C=O BC219962 [0,0,0,0,1,0|1,1,1]=4 208 B7R1.1 c1cnc([nH]1)CO BC212206 [0,0,0,0,1,0|1,1,0]=3 209 B7R1.1 c1coc(n1)CCl BC670136 [0,0,0,0,1,0|2,0,0]=3 210 B7R1.1 c1conc1C#N BC221926 [0,0,0,0,1,0|2,0,1]=4 211 B7R1.1 c1conc1C=O BC201897 [0,0,0,0,1,0|1,1,1]=4 212 B7R1.1 c1csc(n1)CO BC676000 [0,0,0,0,1,0|1,1,0]=3 213 B7R1.1 c1cscc1C=O BC676777 [0,0,0,0,1,0|1,1,1]=4 214 B7R1.1 c1cscc1CN BC655305 [0,0,0,0,1,0|2,0,0]=3 215 B6R1.1 C1CC=CC=C1 BC207599 [2,0,0,0,0,0|1,0,1]=4 216 B6R1.1 c1ccncc1 BC220698 [2,0,0,0,0,0|0,0,0]=2 217 B8R0.4 CCC\C=C\C=C\C=O BC218795 [0,1,1,0,0,0|2,0,0]=4 218 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [1,1,0,0,0,0|1,1,0]=4 219 B8R1.3 Cc1cc[n+](cc1)[O-] BC222437 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.3 Cc1ccc(cc1)I BC208320 [1,1,0,0,0,0|1,0,0]=3 221 B8R1.3 Cc1ccc(cn1)Br BC200848 [1,1,0,0,0,0|0,0,0]=2 222 B8R1.3 Cc1ccc(cn1)F BC219187 [1,1,0,0,0,0|0,0,0]=2 223 B8R1.3 Cc1ccc(cn1)I BC228957 [1,1,0,0,0,0|0,0,0]=2 224 B8R1.3 Cc1ccc(cn1)N BC202216 [1,1,0,0,0,0|0,0,0]=2 225 B8R1.3 Cc1ccc(cn1)O BC213724 [1,1,0,0,0,0|0,0,0]=2 226 B8R1.3 Cc1ccc(nc1)C BC220412 [1,1,0,0,0,0|0,0,0]=2 227 B8R1.3 Cc1ccc(nc1)Cl BC201252 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.3 Cc1ccc(nc1)F BC219184 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.3 Cc1ccc(nc1)N BC203509 [1,1,0,0,0,0|1,0,0]=3 230 B8R1.3 Cc1cnc(cn1)C BC651592 [1,1,0,0,0,0|1,0,0]=3 231 B8R1.3 Cc1cnc(nc1)Cl BC221851 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.3 Cc1ncc(cn1)N BC228078 [1,1,0,0,0,0|1,0,0]=3 233 B8R1.3 c1c(cnc(n1)Cl)Cl BC228087 [1,1,0,0,0,0|2,0,0]=4 234 B8R1.3 c1c(cnc(n1)Cl)I BC671541 [1,1,0,0,0,0|2,0,0]=4 235 B8R1.3 c1c(cnc(n1)Cl)O BC653325 [1,1,0,0,0,0|2,0,0]=4 236 B8R1.3 c1c(cnc(n1)I)Br BC209318 [1,1,0,0,0,0|2,0,0]=4 237 B8R1.3 c1c(cnc(n1)I)Cl BC225380 [1,1,0,0,0,0|2,0,0]=4 238 B8R1.3 c1c(cnc(n1)N)Br BC209310 [1,1,0,0,0,0|2,0,0]=4 239 B8R1.3 c1c(cnc(n1)N)O BC228066 [1,1,0,0,0,0|2,0,0]=4 240 B8R1.3 c1c(cnc(n1)O)Br BC209314 [1,1,0,0,0,0|1,1,0]=4 241 B8R1.3 c1c(cnc(n1)O)Cl BC674915 [1,1,0,0,0,0|1,1,0]=4 242 B8R1.3 c1c(ncc(n1)Br)N BC222343 [1,1,0,0,0,0|2,0,0]=4 243 B8R1.3 c1c(ncc(n1)Br)O BC679855 [1,1,0,0,0,0|1,1,0]=4 244 B8R1.3 c1c(ncc(n1)Cl)Cl BC686148 [1,1,0,0,0,0|2,0,0]=4 245 B8R1.3 c1c(ncc(n1)Cl)O BC679835 [1,1,0,0,0,0|1,1,0]=4 246 B8R1.3 c1cc(ccc1Br)I BC206965 [1,1,0,0,0,0|2,0,0]=4 247 B8R1.3 c1cc(ccc1Cl)Br BC207086 [1,1,0,0,0,0|2,0,0]=4 248 B8R1.3 c1cc(ccc1Cl)I BC675841 [1,1,0,0,0,0|2,0,0]=4 249 B8R1.3 c1cc(ccc1N)Br BC204243 [1,1,0,0,0,0|2,0,0]=4 250 B8R1.3 c1cc(ccc1N)F BC226190 [1,1,0,0,0,0|2,0,0]=4 251 B8R1.3 c1cc(ccc1N)O BC227837 [1,1,0,0,0,0|1,1,0]=4 252 B8R1.3 c1cc(ccc1N)S BC676770 [1,1,0,0,0,0|1,0,0]=3 253 B8R1.3 c1cc(ccc1O)Br BC228016 [1,1,0,0,0,0|1,1,0]=4 254 B8R1.3 c1cc(ccc1O)I BC226747 [1,1,0,0,0,0|1,1,0]=4 255 B8R1.3 c1cc(ccc1O)O BC207641 [1,1,0,0,0,0|1,1,0]=4 256 B8R1.3 c1cc(n[nH]c1=O)Cl BC225810 [1,1,0,0,0,0|2,0,0]=4 257 B8R1.3 c1cc(ncc1Br)F BC211679 [1,1,0,0,0,0|1,0,0]=3 258 B8R1.3 c1cc(ncc1Br)N BC202223 [1,1,0,0,0,0|1,0,0]=3 259 B8R1.3 c1cc(ncc1Br)O BC219149 [1,1,0,0,0,0|0,1,0]=3 260 B8R1.3 c1cc(ncc1Cl)Br BC202228 [1,1,0,0,0,0|1,0,0]=3 261 B8R1.3 c1cc(ncc1Cl)Cl BC210322 [1,1,0,0,0,0|1,0,0]=3 262 B8R1.3 c1cc(ncc1Cl)F BC201381 [1,1,0,0,0,0|1,0,0]=3 263 B8R1.3 c1cc(ncc1Cl)I BC226646 [1,1,0,0,0,0|1,0,0]=3 264 B8R1.3 c1cc(ncc1F)Cl BC208051 [1,1,0,0,0,0|1,0,0]=3 265 B8R1.3 c1cc(ncc1F)N BC204792 [1,1,0,0,0,0|1,0,0]=3 266 B8R1.3 c1cc(ncc1F)O BC219174 [1,1,0,0,0,0|0,1,0]=3 267 B8R1.3 c1cc(ncc1I)Br BC219151 [1,1,0,0,0,0|1,0,0]=3 268 B8R1.3 c1cc(ncc1I)O BC228859 [1,1,0,0,0,0|0,1,0]=3 269 B8R1.3 c1cc(ncc1N)Br BC213741 [1,1,0,0,0,0|1,0,0]=3 270 B8R1.3 c1cc(ncc1N)Cl BC203573 [1,1,0,0,0,0|1,0,0]=3 271 B8R1.3 c1cc(ncc1N)O BC653280 [1,1,0,0,0,0|0,1,0]=3 272 B8R1.3 c1cc(ncc1O)Br BC208384 [1,1,0,0,0,0|1,0,0]=3 273 B8R1.3 c1cc(ncc1O)Cl BC208468 [1,1,0,0,0,0|1,0,0]=3 274 B8R1.3 c1cc(ncc1O)F BC221861 [1,1,0,0,0,0|1,0,0]=3 275 B8R1.3 c1cc(ncc1O)I BC200349 [1,1,0,0,0,0|1,0,0]=3 276 B8R1.3 c1cc(ncc1O)N BC226650 [1,1,0,0,0,0|1,0,0]=3 277 B8R1.3 c1cc(nnc1Cl)Cl BC225811 [1,1,0,0,0,0|2,0,0]=4 278 B8R1.3 c1cc(nnc1Cl)I BC677311 [1,1,0,0,0,0|2,0,0]=4 279 B8R1.3 c1cc(nnc1N)Cl BC677514 [1,1,0,0,0,0|2,0,0]=4 280 B8R1.3 c1cc(nnc1O)O BC225807 [1,1,0,0,0,0|1,1,0]=4 281 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [1,1,0,0,0,0|1,0,1]=4 282 B8R1.4 Cc1cc(ccn1)Br BC208673 [1,1,0,0,0,0|0,0,0]=2 283 B8R1.4 Cc1cc(ccn1)Cl BC219169 [1,1,0,0,0,0|0,0,0]=2 284 B8R1.4 Cc1cc(ccn1)O BC208676 [1,1,0,0,0,0|0,0,0]=2 285 B8R1.4 Cc1cc(cnc1)Br BC202211 [1,1,0,0,0,0|2,0,0]=4 286 B8R1.4 Cc1cc(cnc1)N BC208421 [1,1,0,0,0,0|2,0,0]=4 287 B8R1.4 Cc1cc(cnc1)O BC201216 [1,1,0,0,0,0|2,0,0]=4 288 B8R1.4 Cc1cc(ncn1)Cl BC204226 [1,1,0,0,0,0|1,0,0]=3 289 B8R1.4 Cc1cccc(c1)F BC675323 [1,1,0,0,0,0|1,0,0]=3 290 B8R1.4 Cc1cccc(c1)O BC207588 [1,1,0,0,0,0|1,0,0]=3 291 B8R1.4 Cc1cccc(n1)Cl BC227997 [1,1,0,0,0,0|0,0,0]=2 292 B8R1.4 Cc1cccc(n1)N BC202221 [1,1,0,0,0,0|0,0,0]=2 293 B8R1.4 Cc1ccnc(c1)Br BC207069 [1,1,0,0,0,0|1,0,0]=3 294 B8R1.4 Cc1ccnc(c1)F BC219183 [1,1,0,0,0,0|1,0,0]=3 295 B8R1.4 Cc1ccnc(n1)Br BC677913 [1,1,0,0,0,0|1,0,0]=3 296 B8R1.4 Cc1ccnc(n1)Cl BC228088 [1,1,0,0,0,0|1,0,0]=3 297 B8R1.4 Cc1cncc(n1)N BC675568 [1,1,0,0,0,0|1,0,0]=3 298 B8R1.4 c1c(nc(cn1)Cl)Cl BC203419 [1,1,0,0,0,0|2,0,0]=4 299 B8R1.4 c1c(nc(cn1)Cl)N BC210181 [1,1,0,0,0,0|2,0,0]=4 300 B8R1.4 c1c(ncnc1Cl)N BC210182 [1,1,0,0,0,0|2,0,0]=4 301 B8R1.4 c1c(ncnc1N)N BC211173 [1,1,0,0,0,0|2,0,0]=4 302 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [1,1,0,0,0,0|0,1,1]=4 303 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [1,1,0,0,0,0|2,0,0]=4 304 B8R1.4 c1cc(cc(c1)Br)S BC667223 [1,1,0,0,0,0|1,0,0]=3 305 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [1,1,0,0,0,0|2,0,0]=4 306 B8R1.4 c1cc(cc(c1)I)Br BC675850 [1,1,0,0,0,0|2,0,0]=4 307 B8R1.4 c1cc(cc(c1)I)N BC213647 [1,1,0,0,0,0|2,0,0]=4 308 B8R1.4 c1cc(cc(c1)O)O BC207605 [1,1,0,0,0,0|1,1,0]=4 309 B8R1.4 c1cc(nc(c1)Br)F BC219144 [1,1,0,0,0,0|1,0,0]=3 310 B8R1.4 c1cc(nc(c1)Br)N BC207509 [1,1,0,0,0,0|1,0,0]=3 311 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [1,1,0,0,0,0|1,0,0]=3 312 B8R1.4 c1cc(nc(c1)F)N BC222333 [1,1,0,0,0,0|1,0,0]=3 313 B8R1.4 c1cc(nc(c1)N)N BC200771 [1,1,0,0,0,0|1,0,0]=3 314 B8R1.4 c1cnc(cc1Br)Br BC204489 [1,1,0,0,0,0|1,0,0]=3 315 B8R1.4 c1cnc(cc1Br)Cl BC204493 [1,1,0,0,0,0|1,0,0]=3 316 B8R1.4 c1cnc(cc1Br)N BC225238 [1,1,0,0,0,0|1,0,0]=3 317 B8R1.4 c1cnc(cc1Br)O BC228856 [1,1,0,0,0,0|0,1,0]=3 318 B8R1.4 c1cnc(cc1Cl)Br BC204494 [1,1,0,0,0,0|1,0,0]=3 319 B8R1.4 c1cnc(cc1Cl)Cl BC204488 [1,1,0,0,0,0|1,0,0]=3 320 B8R1.4 c1cnc(cc1Cl)N BC225236 [1,1,0,0,0,0|1,0,0]=3 321 B8R1.4 c1cnc(cc1F)Br BC226649 [1,1,0,0,0,0|1,0,0]=3 322 B8R1.4 c1cnc(cc1F)Cl BC226637 [1,1,0,0,0,0|1,0,0]=3 323 B8R1.4 c1cnc(cc1F)F BC212172 [1,1,0,0,0,0|1,0,0]=3 324 B8R1.4 c1cnc(cc1F)N BC670027 [1,1,0,0,0,0|1,0,0]=3 325 B8R1.4 c1cnc(cc1I)F BC225099 [1,1,0,0,0,0|1,0,0]=3 326 B8R1.4 c1cnc(cc1N)Br BC205180 [1,1,0,0,0,0|1,0,0]=3 327 B8R1.4 c1cnc(cc1N)Cl BC227047 [1,1,0,0,0,0|1,0,0]=3 328 B8R1.4 c1cnc(cc1N)F BC227044 [1,1,0,0,0,0|1,0,0]=3 329 B8R1.4 c1cnc(cc1N)N BC227163 [1,1,0,0,0,0|1,0,0]=3 330 B8R1.4 c1cnc(cc1O)Br BC208749 [1,1,0,0,0,0|1,0,0]=3 331 B8R1.4 c1cnc(cc1O)F BC656317 [1,1,0,0,0,0|1,0,0]=3 332 B8R1.4 c1cnc(cc1O)N BC222335 [1,1,0,0,0,0|1,0,0]=3 333 B8R1.4 c1cnc(cc1O)O BC208052 [1,1,0,0,0,0|0,1,0]=3 334 B8R1.4 c1cnc(nc1Cl)Cl BC206162 [1,1,0,0,0,0|2,0,0]=4 335 B8R1.4 c1cnc(nc1Cl)N BC201228 [1,1,0,0,0,0|2,0,0]=4 336 B8R1.5 Cc1c(cccn1)Br BC225550 [1,1,0,0,0,0|0,0,0]=2 337 B8R1.5 Cc1c(cccn1)Cl BC656264 [1,1,0,0,0,0|0,0,0]=2 338 B8R1.5 Cc1c(cccn1)F BC677139 [1,1,0,0,0,0|0,0,0]=2 339 B8R1.5 Cc1c(cccn1)N BC219118 [1,1,0,0,0,0|0,0,0]=2 340 B8R1.5 Cc1c(cccn1)O BC225229 [1,1,0,0,0,0|0,0,0]=2 341 B8R1.5 Cc1c(cncn1)N BC202066 [1,1,0,0,0,0|1,0,0]=3 342 B8R1.5 Cc1c(nccn1)Cl BC686305 [1,1,0,0,0,0|1,0,0]=3 343 B8R1.5 Cc1cccc[n+]1[O-] BC213117 [1,1,0,0,0,0|0,0,1]=3 344 B8R1.5 Cc1cccnc1Br BC227989 [1,1,0,0,0,0|1,0,0]=3 345 B8R1.5 Cc1cccnc1N BC225899 [1,1,0,0,0,0|1,0,0]=3 346 B8R1.5 Cc1cccnc1O BC225228 [1,1,0,0,0,0|0,1,0]=3 347 B8R1.5 Cc1ccncc1C BC667797 [1,1,0,0,0,0|2,0,0]=4 348 B8R1.5 Cc1ccncc1F BC219203 [1,1,0,0,0,0|2,0,0]=4 349 B8R1.5 Cc1ccncc1N BC207827 [1,1,0,0,0,0|2,0,0]=4 350 B8R1.5 Cc1ccncc1O BC656328 [1,1,0,0,0,0|2,0,0]=4 351 B8R1.5 Cc1cnccc1Br BC201979 [1,1,0,0,0,0|2,0,0]=4 352 B8R1.5 Cc1cnccc1Br BC219154 [1,1,0,0,0,0|2,0,0]=4 353 B8R1.5 Cc1cnccc1Cl BC219170 [1,1,0,0,0,0|2,0,0]=4 354 B8R1.5 Cn1cccnc1=O BC224691 [1,1,0,0,0,0|1,1,0]=4 355 B8R1.5 c1c(c(=O)nc[nH]1)Br BC666251 [1,1,0,0,0,0|1,1,0]=4 356 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [1,1,0,0,0,0|1,1,0]=4 357 B8R1.5 c1c(c(ncn1)Cl)Cl BC222340 [1,1,0,0,0,0|2,0,0]=4 358 B8R1.5 c1c(c(ncn1)Cl)I BC674947 [1,1,0,0,0,0|2,0,0]=4 359 B8R1.5 c1cc(c(nc1)Br)F BC227112 [1,1,0,0,0,0|1,0,0]=3 360 B8R1.5 c1cc(c(nc1)Br)N BC207481 [1,1,0,0,0,0|1,0,0]=3 361 B8R1.5 c1cc(c(nc1)Br)O BC206638 [1,1,0,0,0,0|1,0,0]=3 362 B8R1.5 c1cc(c(nc1)Cl)Br BC210233 [1,1,0,0,0,0|1,0,0]=3 363 B8R1.5 c1cc(c(nc1)Cl)Cl BC210321 [1,1,0,0,0,0|1,0,0]=3 364 B8R1.5 c1cc(c(nc1)Cl)I BC207966 [1,1,0,0,0,0|1,0,0]=3 365 B8R1.5 c1cc(c(nc1)Cl)N BC226077 [1,1,0,0,0,0|1,0,0]=3 366 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [1,1,0,0,0,0|1,0,0]=3 367 B8R1.5 c1cc(c(nc1)F)Br BC219145 [1,1,0,0,0,0|1,0,0]=3 368 B8R1.5 c1cc(c(nc1)F)Cl BC214599 [1,1,0,0,0,0|1,0,0]=3 369 B8R1.5 c1cc(c(nc1)F)F BC211682 [1,1,0,0,0,0|1,0,0]=3 370 B8R1.5 c1cc(c(nc1)F)I BC213726 [1,1,0,0,0,0|1,0,0]=3 371 B8R1.5 c1cc(c(nc1)F)N BC219109 [1,1,0,0,0,0|1,0,0]=3 372 B8R1.5 c1cc(c(nc1)F)O BC677131 [1,1,0,0,0,0|1,0,0]=3 373 B8R1.5 c1cc(c(nc1)I)O BC206480 [1,1,0,0,0,0|1,0,0]=3 374 B8R1.5 c1cc(c(nc1)N)Br BC202222 [1,1,0,0,0,0|1,0,0]=3 375 B8R1.5 c1cc(c(nc1)N)Cl BC205827 [1,1,0,0,0,0|1,0,0]=3 376 B8R1.5 c1cc(c(nc1)N)F BC227098 [1,1,0,0,0,0|1,0,0]=3 377 B8R1.5 c1cc(c(nc1)N)I BC219764 [1,1,0,0,0,0|1,0,0]=3 378 B8R1.5 c1cc(c(nc1)N)N BC227150 [1,1,0,0,0,0|1,0,0]=3 379 B8R1.5 c1cc(c(nc1)N)O BC227987 [1,1,0,0,0,0|1,0,0]=3 380 B8R1.5 c1cc(c(nc1)O)F BC202279 [1,1,0,0,0,0|0,1,0]=3 381 B8R1.5 c1cc(c(nc1)O)N BC202198 [1,1,0,0,0,0|0,1,0]=3 382 B8R1.5 c1cc(c(nc1)O)O BC209278 [1,1,0,0,0,0|0,1,0]=3 383 B8R1.5 c1cc[n+](c(c1)Cl)[O-] BC213191 [1,1,0,0,0,0|1,0,1]=4 384 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC206730 [1,1,0,0,0,0|0,0,2]=4 385 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC207991 [1,1,0,0,0,0|0,0,2]=4 386 B8R1.5 c1ccc(c(c1)N)Br BC677892 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.5 c1ccc(c(c1)N)I BC213646 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.5 c1ccc(c(c1)N)S BC250051 [1,1,0,0,0,0|1,0,0]=3 389 B8R1.5 c1ccc(c(c1)O)I BC213644 [1,1,0,0,0,0|1,1,0]=4 390 B8R1.5 c1ccc(c(c1)O)O BC205707 [1,1,0,0,0,0|1,1,0]=4 391 B8R1.5 c1cnc(c(n1)Cl)Cl BC210320 [1,1,0,0,0,0|2,0,0]=4 392 B8R1.5 c1cnc(c(n1)N)Cl BC244718 [1,1,0,0,0,0|2,0,0]=4 393 B8R1.1 CCc1[nH]cc(n1)Br BC220073 [0,1,0,0,1,0|2,0,0]=4 394 B8R1.1 Cn1ccc(n1)CO BC262388 [0,1,0,0,1,0|1,1,0]=4 395 B8R1.8 c1c(nc[nH]1)CCCl BC206376 [0,1,0,0,1,0|2,0,0]=4 396 B8R1.8 c1c(nc[nH]1)CCN BC205752 [0,1,0,0,1,0|2,0,0]=4 397 B8R1.8 c1c(nc[nH]1)CCN BC206197 [0,1,0,0,1,0|2,0,0]=4 398 B8R1.8 c1c(nc[nH]1)CCO BC678874 [0,1,0,0,1,0|1,1,0]=4 399 B8R1.11 Cc1c(nc[nH]1)CO BC213275 [0,1,0,0,1,0|1,1,0]=4 400 B10R1.1 CCOc1ccc(cn1)N BC215883 [0,2,0,0,0,0|1,0,0]=3 401 B10R1.1 COCc1ccc(cc1)O BC674868 [0,2,0,0,0,0|1,1,0]=4 402 B10R1.1 Cc1ccc(cc1)CC#N BC205621 [0,2,0,0,0,0|2,0,0]=4 403 B10R1.1 c1cc(ccc1CC#N)Br BC227508 [0,2,0,0,0,0|2,0,0]=4 404 B10R1.1 c1cc(ccc1CC#N)N BC676372 [0,2,0,0,0,0|2,0,0]=4 405 B10R1.1 c1cc(ccc1CCBr)Cl BC658954 [0,2,0,0,0,0|2,0,0]=4 406 B10R1.1 c1cc(ccc1CCN)Br BC205235 [0,2,0,0,0,0|2,0,0]=4 407 B10R1.1 c1cc(ccc1CCO)Br BC646236 [0,2,0,0,0,0|1,1,0]=4 408 B10R1.1 c1cc(ccc1CCO)O BC676907 [0,2,0,0,0,0|1,1,0]=4 409 B10R1.1 c1cc(ncc1Br)CC#N BC216615 [0,2,0,0,0,0|1,0,0]=3 410 B10R1.3 C#Cc1ccc(cc1)CO BC686208 [0,2,0,0,0,0|1,1,0]=4 411 B10R1.3 C=Cc1ccc(cc1)CCl BC214833 [0,2,0,0,0,0|2,0,0]=4 412 B10R1.3 C=Cc1ccc(cc1)CO BC221109 [0,2,0,0,0,0|1,1,0]=4 413 B10R1.3 COc1ccc(cc1)CCl BC676749 [0,2,0,0,0,0|2,0,0]=4 414 B10R1.3 COc1ccc(cc1)CN BC208901 [0,2,0,0,0,0|2,0,0]=4 415 B10R1.3 COc1ccc(cc1)CS BC208815 [0,2,0,0,0,0|1,0,0]=3 416 B10R1.3 COc1ccc(cn1)NN BC675241 [0,2,0,0,0,0|2,0,0]=4 417 B10R1.3 c1cc(ccc1CBr)C#N BC201242 [0,2,0,0,0,0|2,0,0]=4 418 B10R1.3 c1cc(ccc1CCl)C#N BC202327 [0,2,0,0,0,0|2,0,0]=4 419 B10R1.3 c1cc(ccc1CN)C#N BC676381 [0,2,0,0,0,0|2,0,0]=4 420 B10R1.3 c1cc(ccc1CO)CCl BC217419 [0,2,0,0,0,0|1,1,0]=4 421 B10R1.13 B(c1ccc(cn1)C)(O)O BC210680 [0,2,0,0,0,0|1,1,0]=4 422 B10R1.13 CC(=O)c1ccc(cn1)Br BC655306 [0,2,0,0,0,0|0,1,1]=4 423 B10R1.13 CC(C)c1ccc(cc1)Br BC213524 [0,2,0,0,0,0|2,0,0]=4 424 B10R1.13 CC(C)c1ccc(cn1)N BC675244 [0,2,0,0,0,0|1,0,0]=3 425 B10R1.13 CC(c1ccc(cc1)Br)N BC204235 [0,2,0,0,0,0|2,0,0]=4 426 B10R1.13 C[C@@H](c1ccc(cc1)Br)N BC216482 [0,2,0,0,0,0|2,0,0]=4 427 B10R1.13 C[C@H](c1ccc(cc1)Br)N BC678930 [0,2,0,0,0,0|2,0,0]=4 428 B10R1.13 Cc1ccc(cc1)C(C)C BC677632 [0,2,0,0,0,0|2,0,0]=4 429 B10R1.13 Cc1ccc(nc1)C(=O)O BC207540 [0,2,0,0,0,0|0,1,1]=4 430 B10R1.13 c1cc(ncc1Br)C(=O)O BC213733 [0,2,0,0,0,0|0,1,1]=4 431 B10R1.13 c1cc(ncc1Cl)C(=O)O BC224603 [0,2,0,0,0,0|0,1,1]=4 432 B10R1.13 c1cc(ncc1F)C(=O)O BC224604 [0,2,0,0,0,0|0,1,1]=4 433 B10R1.13 c1cc(ncc1N)C(=O)N BC228144 [0,2,0,0,0,0|0,1,1]=4 434 B10R1.13 c1cc(ncc1N)C(=O)O BC210785 [0,2,0,0,0,0|0,1,1]=4 435 B10R1.13 c1cc(ncc1O)C(=O)O BC224042 [0,2,0,0,0,0|0,1,1]=4 436 B10R1.25 CCc1ccc(cc1O)O BC201065 [0,2,0,0,0,0|2,0,0]=4 437 B10R1.25 COc1c(cc(cn1)Br)Cl BC219122 [0,2,0,0,0,0|2,0,0]=4 438 B10R1.25 COc1c(cc(cn1)Br)F BC219136 [0,2,0,0,0,0|2,0,0]=4 439 B10R1.25 COc1c(cc(cn1)Cl)Br BC228873 [0,2,0,0,0,0|2,0,0]=4 440 B10R1.25 COc1c(cc(cn1)F)Br BC219135 [0,2,0,0,0,0|2,0,0]=4 441 B10R1.25 Cc1cc(ccc1CN)Br BC646006 [0,2,0,0,0,0|2,0,0]=4 442 B10R1.25 Cc1cc(cnc1C#N)O BC228143 [0,2,0,0,0,0|1,0,1]=4 443 B10R1.25 Cc1cc(cnc1OC)N BC219114 [0,2,0,0,0,0|2,0,0]=4 444 B10R1.25 c1c(cnc(c1F)NN)F BC650650 [0,2,0,0,0,0|2,0,0]=4 445 B10R1.25 c1cc(c(cc1Br)F)CN BC227356 [0,2,0,0,0,0|2,0,0]=4 446 B10R1.25 c1cc(c(cc1Cl)F)CCl BC200642 [0,2,0,0,0,0|2,0,0]=4 447 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [0,2,0,0,0,0|1,1,0]=4 448 B10R1.25 c1cc(c(cc1F)F)CBr BC210967 [0,2,0,0,0,0|2,0,0]=4 449 B10R1.25 c1cc(c(cc1F)F)CN BC227346 [0,2,0,0,0,0|2,0,0]=4 450 B10R1.176 CCc1ccc(c(c1)N)N BC256282 [0,2,0,0,0,0|2,0,0]=4 451 B10R1.176 Cc1c(ccc(n1)OC)Br BC219153 [0,2,0,0,0,0|2,0,0]=4 452 B10R1.176 Cc1c(ccc(n1)OC)F BC219177 [0,2,0,0,0,0|2,0,0]=4 453 B10R1.176 Cc1cc(ccc1F)CN BC676428 [0,2,0,0,0,0|2,0,0]=4 454 B10R1.176 Cc1ccc(cc1C)CCl BC215413 [0,2,0,0,0,0|2,0,0]=4 455 B10R1.176 Cc1ccc(cc1Cl)CN BC227375 [0,2,0,0,0,0|2,0,0]=4 456 B10R1.176 c1cc(c(cc1CCl)F)Cl BC210962 [0,2,0,0,0,0|2,0,0]=4 457 B10R1.176 c1cc(c(cc1CN)Cl)F BC211116 [0,2,0,0,0,0|2,0,0]=4 458 B10R1.2 CCc1c(c(=O)cco1)O BC201058 [0,2,0,0,0,0|2,0,0]=4 459 B10R1.2 CCc1c(c(ncn1)Cl)Cl BC683629 [0,2,0,0,0,0|2,0,0]=4 460 B10R1.2 CCc1c(c(ncn1)Cl)F BC650913 [0,2,0,0,0,0|2,0,0]=4 461 B10R1.2 c1cc(c(c(c1)Cl)F)CBr BC201400 [0,2,0,0,0,0|2,0,0]=4 462 B10R1.2 c1cc(c(c(c1)F)Br)CBr BC250315 [0,2,0,0,0,0|2,0,0]=4 463 B10R1.2 c1cc(c(c(c1)F)Br)CO BC250320 [0,2,0,0,0,0|1,1,0]=4 464 B10R1.2 c1cc(c(c(c1)F)Cl)CBr BC679754 [0,2,0,0,0,0|2,0,0]=4 465 B10R1.2 c1cc(c(c(c1)F)F)CBr BC205479 [0,2,0,0,0,0|2,0,0]=4 466 B10R1.8 c1c(cc(cc1Cl)Cl)CO BC676421 [0,2,0,0,0,0|1,1,0]=4 467 B10R1.8 c1c(cc(cc1F)Br)CO BC676416 [0,2,0,0,0,0|1,1,0]=4 468 B10R1.8 c1c(cc(cc1N)Cl)CO BC653951 [0,2,0,0,0,0|1,1,0]=4 469 B10R1.10 CCCc1cccc(c1)N BC679945 [0,2,0,0,0,0|2,0,0]=4 470 B10R1.10 CNCc1cccc(c1)Br BC653644 [0,2,0,0,0,0|2,0,0]=4 471 B10R1.10 c1cc(cc(c1)Br)CC#N BC203406 [0,2,0,0,0,0|2,0,0]=4 472 B10R1.10 c1cc(cc(c1)Br)CCO BC645716 [0,2,0,0,0,0|1,1,0]=4 473 B10R1.10 c1cc(cc(c1)O)CCN BC600077 [0,2,0,0,0,0|2,0,0]=4 474 B10R1.30 CCc1c(ccc(n1)C)O BC227743 [0,2,0,0,0,0|1,0,0]=3 475 B10R1.30 CCc1cc(ccc1Cl)O BC225279 [0,2,0,0,0,0|2,0,0]=4 476 B10R1.30 CCc1cc(ccc1I)O BC600019 [0,2,0,0,0,0|2,0,0]=4 477 B10R1.30 Cc1ccc(c(n1)C#N)Br BC678366 [0,2,0,0,0,0|1,0,1]=4 478 B10R1.30 Cc1ccc(c(n1)OC)F BC219176 [0,2,0,0,0,0|2,0,0]=4 479 B10R1.30 Cc1ccc(c(n1)OC)N BC219112 [0,2,0,0,0,0|2,0,0]=4 480 B10R1.30 c1cc(c(cc1Br)CBr)F BC679762 [0,2,0,0,0,0|2,0,0]=4 481 B10R1.30 c1cc(c(cc1Br)CO)F BC226996 [0,2,0,0,0,0|1,1,0]=4 482 B10R1.30 c1cc(c(cc1Cl)CN)F BC211118 [0,2,0,0,0,0|2,0,0]=4 483 B10R1.30 c1cc(c(cc1F)CBr)F BC210966 [0,2,0,0,0,0|2,0,0]=4 484 B10R1.30 c1cc(c(cc1I)CBr)Cl BC212208 [0,2,0,0,0,0|2,0,0]=4 485 B10R1.30 c1cc(c(cc1I)CCl)Cl BC662638 [0,2,0,0,0,0|2,0,0]=4 486 B10R1.30 c1cc(c(cc1I)CO)Cl BC600271 [0,2,0,0,0,0|1,1,0]=4 487 B10R1.113 B(c1cccc(n1)C)(O)O BC225235 [0,2,0,0,0,0|1,1,0]=4 488 B10R1.113 B(c1cccc(n1)Cl)(O)O BC656274 [0,2,0,0,0,0|1,1,0]=4 489 B10R1.113 CC(=O)c1cccc(n1)Br BC225218 [0,2,0,0,0,0|0,1,1]=4 490 B10R1.113 CC(C)c1cccc(c1)N BC202334 [0,2,0,0,0,0|2,0,0]=4 491 B10R1.113 CC(C)c1cccc(n1)Cl BC222331 [0,2,0,0,0,0|1,0,0]=3 492 B10R1.113 Cc1cccc(n1)C(=O)O BC210679 [0,2,0,0,0,0|0,1,1]=4 493 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] BC681540 [0,2,0,0,0,0|1,1,0]=4 494 B10R1.113 Cc1ccnc(c1)C(=O)C BC217946 [0,2,0,0,0,0|0,1,1]=4 495 B10R1.113 c1cc(nc(c1)Br)C(=O)O BC207990 [0,2,0,0,0,0|0,1,1]=4 496 B10R1.113 c1cc(nc(c1)Cl)C(=O)O BC213732 [0,2,0,0,0,0|0,1,1]=4 497 B10R1.113 c1cc(nc(c1)N)C(=O)O BC220442 [0,2,0,0,0,0|0,1,1]=4 498 B10R1.113 c1cnc(cc1Br)C(=O)O BC208210 [0,2,0,0,0,0|0,1,1]=4 499 B10R1.113 c1cnc(cc1Cl)C(=O)O BC202385 [0,2,0,0,0,0|0,1,1]=4 500 B10R1.113 c1cnc(cc1N)C(=O)O BC651732 [0,2,0,0,0,0|0,1,1]=4 501 B10R1.172 CCc1cccc(c1)C#N BC676392 [0,2,0,0,0,0|2,0,0]=4 502 B10R1.172 COc1cc(ccn1)C=O BC674863 [0,2,0,0,0,0|2,0,0]=4 503 B10R1.172 COc1cccc(c1)CBr BC201397 [0,2,0,0,0,0|2,0,0]=4 504 B10R1.172 COc1cccc(n1)C=O BC683305 [0,2,0,0,0,0|0,1,1]=4 505 B10R1.172 c1cc(cc(c1)C#N)CBr BC206262 [0,2,0,0,0,0|2,0,0]=4 506 B10R1.172 c1cc(nc(c1)CO)CO BC213219 [0,2,0,0,0,0|0,1,0]=3 507 B10R1.172 c1cnc(cc1C=O)CN BC207462 [0,2,0,0,0,0|1,0,0]=3 508 B10R1.172 c1cnc(cc1CO)C#N BC207463 [0,2,0,0,0,0|1,0,1]=4 509 B10R1.15 C#CC(c1ccccc1)O BC218343 [0,2,0,0,0,0|1,1,0]=4 510 B10R1.15 CC[C@H](c1ccccc1)N BC201033 [0,2,0,0,0,0|2,0,0]=4 511 B10R1.15 c1ccc(cc1)C(=O)CN BC222358 [0,2,0,0,0,0|2,0,0]=4 512 B10R1.15 c1ccc(cc1)C(C#N)Br BC620262 [0,2,0,0,0,0|2,0,0]=4 513 B10R1.15 c1ccc(cc1)C(CCl)O BC651818 [0,2,0,0,0,0|1,1,0]=4 514 B10R1.15 c1ccc(cc1)[C@H](CO)N BC204938 [0,2,0,0,0,0|1,1,0]=4 515 B10R1.15 c1ccnc(c1)C(=O)CBr BC684167 [0,2,0,0,0,0|1,0,0]=3 516 B10R1.28 CC(C)(c1ccccc1)S BC210351 [0,2,0,0,0,0|1,0,0]=3 517 B10R1.28 c1ccc(cc1)C(F)(F)F BC204263 [0,2,0,0,0,0|2,0,0]=4 518 B10R1.28 c1ccnc(c1)S(=O)(=O)O BC219768 [0,2,0,0,0,0|1,1,0]=4 519 B10R1.61 B(c1c(cccn1)C)(O)O BC225233 [0,2,0,0,0,0|1,1,0]=4 520 B10R1.61 B(c1c(cccn1)F)(O)O BC638939 [0,2,0,0,0,0|1,1,0]=4 521 B10R1.61 CC(=O)c1c(cccn1)F BC227063 [0,2,0,0,0,0|0,1,1]=4 522 B10R1.61 CC(C)c1ccccc1Br BC213522 [0,2,0,0,0,0|2,0,0]=4 523 B10R1.61 CC(C)c1ccccc1N BC222401 [0,2,0,0,0,0|2,0,0]=4 524 B10R1.61 Cc1cccnc1C(=O)O BC207538 [0,2,0,0,0,0|0,1,1]=4 525 B10R1.61 Cc1cccnc1[N+](=O)[O-] BC219555 [0,2,0,0,0,0|1,1,0]=4 526 B10R1.61 c1cc(c(nc1)C(=O)N)N BC653727 [0,2,0,0,0,0|0,1,1]=4 527 B10R1.61 c1cc(c(nc1)C(=O)O)Br BC201446 [0,2,0,0,0,0|0,1,1]=4 528 B10R1.61 c1cc(c(nc1)C(=O)O)Cl BC678013 [0,2,0,0,0,0|0,1,1]=4 529 B10R1.61 c1cc(c(nc1)C(=O)O)F BC226669 [0,2,0,0,0,0|0,1,1]=4 530 B10R1.61 c1cc(c(nc1)C(=O)O)N BC220957 [0,2,0,0,0,0|0,1,1]=4 531 B10R1.61 c1cc(c(nc1)C(=O)O)O BC210633 [0,2,0,0,0,0|0,1,1]=4 532 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl BC201213 [0,2,0,0,0,0|1,1,0]=4 533 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])F BC226634 [0,2,0,0,0,0|1,1,0]=4 534 B10R1.4 c1ccc(c(c1)CC#N)Br BC227507 [0,2,0,0,0,0|2,0,0]=4 535 B10R1.4 c1ccc(c(c1)CCN)Br BC202041 [0,2,0,0,0,0|2,0,0]=4 536 B10R1.4 c1ccc(c(c1)CCO)N BC202238 [0,2,0,0,0,0|1,1,0]=4 537 B10R1.17 CNCCc1ccccn1 BC218953 [0,2,0,0,0,0|1,0,0]=3 538 B10R1.17 c1ccc(cc1)C#CCN BC211901 [0,2,0,0,0,0|2,0,0]=4 539 B10R1.17 c1ccc(cc1)C#CCO BC222107 [0,2,0,0,0,0|1,1,0]=4 540 B10R1.17 c1ccc(cc1)NCC#N BC219610 [0,2,0,0,0,0|2,0,0]=4 541 B10R1.17 c1ccc(cc1)OCCBr BC209483 [0,2,0,0,0,0|2,0,0]=4 542 B10R1.17 c1ccc(cc1)OCCO BC208517 [0,2,0,0,0,0|1,1,0]=4 543 B10R1.18 CC(=O)Cc1ccccc1 BC250367 [0,2,0,0,0,0|1,1,0]=4 544 B10R1.18 CC(C)Nc1ccccc1 BC208321 [0,2,0,0,0,0|2,0,0]=4 545 B10R1.18 c1ccnc(c1)CC(=O)O BC210696 [0,2,0,0,0,0|0,1,0]=3 546 B10R1.18 c1ccnc(c1)CC(=O)O BC653678 [0,2,0,0,0,0|0,1,0]=3 547 B10R1.20 CCc1c(nccn1)CC BC210326 [0,2,0,0,0,0|2,0,0]=4 548 B10R1.20 COc1c(cccn1)NN BC686690 [0,2,0,0,0,0|2,0,0]=4 549 B10R1.20 COc1ccccc1CCl BC250917 [0,2,0,0,0,0|2,0,0]=4 550 B10R1.20 COc1cccnc1C=O BC208209 [0,2,0,0,0,0|0,1,1]=4 551 B10R1.20 c1cc(c(nc1)C#N)C#N BC207485 [0,2,0,0,0,0|1,0,1]=4 552 B10R1.20 c1cc(c(nc1)C#N)CBr BC212521 [0,2,0,0,0,0|1,0,1]=4 553 B10R1.20 c1cc(c(nc1)CN)C=O BC207494 [0,2,0,0,0,0|1,0,0]=3 554 B10R1.20 c1ccc(c(c1)CCl)C#N BC202328 [0,2,0,0,0,0|2,0,0]=4 555 B10R1.245 Cc1cccc(c1CCl)C BC207590 [0,2,0,0,0,0|2,0,0]=4 556 B10R1.245 Cc1cccc(c1CO)C BC207403 [0,2,0,0,0,0|1,1,0]=4 557 B10R1.245 c1cc(c(c(c1)F)CBr)F BC202187 [0,2,0,0,0,0|2,0,0]=4 558 B10R2.31 c1cc2c(cc1Br)CC2 BC201494 [0,1,0,1,0,0|2,0,0]=4 559 B10R2.31 c1cc2c(cc1N)CC2 BC225112 [0,1,0,1,0,0|2,0,0]=4 560 B10R2.320 c1ccc2c(c1)CC2=O BC225121 [0,1,0,1,0,0|1,1,0]=4 561 B10R2.7 c1cc2c(cc[nH]2)nc1 BC213328 [0,1,0,1,0,0|1,0,1]=4 562 B10R2.7 c1cc2c(nc1)CNC2 BC202976 [0,1,0,1,0,0|1,0,0]=3 563 B10R2.7 c1cc2c(nc1)CNC2 BC657106 [0,1,0,1,0,0|1,0,0]=3 564 B10R2.7 c1cc2c(nc1)CNC2 BC682032 [0,1,0,1,0,0|1,0,0]=3 565 B10R2.7 c1cc2c(nc1)CNC2 BC683702 [0,1,0,1,0,0|1,0,0]=3 566 B10R2.7 c1cc2cc[nH]c2nc1 BC213330 [0,1,0,1,0,0|1,0,1]=4 567 B10R2.7 c1ccc2c(c1)CC=C2 BC218987 [0,1,0,1,0,0|2,0,0]=4 568 B10R2.7 c1ccc2c(c1)CCN2 BC219733 [0,1,0,1,0,0|2,0,0]=4 569 B10R2.7 c1ccc2c(c1)CCO2 BC207982 [0,1,0,1,0,0|1,1,0]=4 570 B10R2.7 c1ccc2c(c1)CNC2 BC217544 [0,1,0,1,0,0|2,0,0]=4 571 B10R2.7 c1ccc2c(c1)CNC2 BC682033 [0,1,0,1,0,0|2,0,0]=4 572 B6R1.2 Cc1[nH]ccn1 BC228979 [1,0,0,0,1,0|1,0,0]=3 573 B6R1.2 Cc1c[nH]cn1 BC200416 [1,0,0,0,1,0|1,0,0]=3 574 B6R1.2 Cc1c[nH]nc1 BC677698 [1,0,0,0,1,0|2,0,0]=4 575 B6R1.2 Cc1c[nH]nn1 BC655515 [1,0,0,0,1,0|2,0,0]=4 576 B6R1.2 Cc1ccno1 BC226936 [1,0,0,0,1,0|2,0,0]=4 577 B6R1.2 Cc1nc[nH]n1 BC206611 [1,0,0,0,1,0|2,0,0]=4 578 B6R1.2 Cn1cccn1 BC202050 [1,0,0,0,1,0|1,0,0]=3 579 B6R1.2 Cn1ccnc1 BC680917 [1,0,0,0,1,0|2,0,0]=4 580 B6R1.2 Cn1cncn1 BC207617 [1,0,0,0,1,0|2,0,0]=4 581 B6R1.2 c1c(nc[nH]1)Br BC220072 [1,0,0,0,1,0|2,0,0]=4 582 B6R1.2 c1c(nc[nH]1)I BC220439 [1,0,0,0,1,0|2,0,0]=4 583 B6R1.2 c1c(nc[nH]1)N BC686543 [1,0,0,0,1,0|2,0,0]=4 584 B6R1.2 c1c(ncs1)N BC264749 [1,0,0,0,1,0|2,0,0]=4 585 B6R1.2 c1c[nH]nc1Br BC221788 [1,0,0,0,1,0|2,0,0]=4 586 B6R1.2 c1c[nH]nc1N BC207676 [1,0,0,0,1,0|2,0,0]=4 587 B6R1.2 c1cc(oc1)Br BC675565 [1,0,0,0,1,0|2,0,0]=4 588 B6R1.2 c1cc(sc1)Br BC676814 [1,0,0,0,1,0|2,0,0]=4 589 B6R1.2 c1cc(sc1)Br BC677960 [1,0,0,0,1,0|2,0,0]=4 590 B6R1.2 c1cc(sc1)F BC211749 [1,0,0,0,1,0|2,0,0]=4 591 B6R1.2 c1cnc([nH]1)I BC210637 [1,0,0,0,1,0|2,0,0]=4 592 B6R1.2 c1cnc([nH]1)N BC220007 [1,0,0,0,1,0|2,0,0]=4 593 B6R1.2 c1cnc([nH]1)N BC678011 [1,0,0,0,1,0|2,0,0]=4 594 B6R1.2 c1coc(n1)N BC227830 [1,0,0,0,1,0|2,0,0]=4 595 B6R1.2 c1cocc1Br BC227194 [1,0,0,0,1,0|2,0,0]=4 596 B6R1.2 c1conc1N BC215684 [1,0,0,0,1,0|2,0,0]=4 597 B6R1.2 c1csc(n1)Br BC218796 [1,0,0,0,1,0|2,0,0]=4 598 B6R1.2 c1csc(n1)Cl BC201456 [1,0,0,0,1,0|2,0,0]=4 599 B6R1.2 c1cscc1Br BC210528 [1,0,0,0,1,0|2,0,0]=4 600 B6R1.2 c1cscc1N BC677154 [1,0,0,0,1,0|2,0,0]=4 601 B6R1.2 c1cscc1N BC686803 [1,0,0,0,1,0|2,0,0]=4