0 B8R1.4 C1C=NC(=CC1=O)Cl BC208831 [0,0,0,0,0,0|2,0,2]=4 1 B8R1.4 Cc1cc(ccn1)Br BC208673 [0,0,0,0,0,0|2,0,0]=2 2 B8R1.4 Cc1cc(ccn1)Cl BC219169 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.4 Cc1cc(ccn1)O BC208676 [0,0,0,0,0,0|1,0,0]=1 4 B8R1.4 Cc1cc(cnc1)Br BC202211 [0,0,0,0,0,0|2,0,0]=2 5 B8R1.4 Cc1cc(cnc1)N BC208421 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.4 Cc1cc(cnc1)O BC201216 [0,0,0,0,0,0|1,0,0]=1 7 B8R1.4 Cc1cc(ncn1)Cl BC204226 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.4 Cc1cccc(c1)F BC675323 [0,0,0,0,0,0|1,0,0]=1 9 B8R1.4 Cc1cccc(c1)O BC207588 [0,0,0,0,0,0|0,0,0]=0 10 B8R1.4 Cc1cccc(n1)Cl BC227997 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.4 Cc1cccc(n1)N BC202221 [0,0,0,0,0,0|2,0,0]=2 12 B8R1.4 Cc1ccnc(c1)Br BC207069 [0,0,0,0,0,0|2,0,0]=2 13 B8R1.4 Cc1ccnc(c1)F BC219183 [0,0,0,0,0,0|2,0,0]=2 14 B8R1.4 Cc1ccnc(n1)Br BC677913 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.4 Cc1ccnc(n1)Cl BC228088 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.4 Cc1cncc(n1)N BC675568 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.4 c1c(cn[nH]c1=O)I BC244710 [0,0,0,0,0,0|3,0,1]=4 18 B8R1.4 c1c(cncc1Br)Br BC204490 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.4 c1c(cncc1Br)O BC221860 [0,0,0,0,0,0|2,0,0]=2 20 B8R1.4 c1c(cncc1Cl)Cl BC204492 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.4 c1c(cncc1Cl)N BC204497 [0,0,0,0,0,0|3,0,0]=3 22 B8R1.4 c1c(cncc1F)F BC225098 [0,0,0,0,0,0|3,0,0]=3 23 B8R1.4 c1c(cncc1N)N BC227073 [0,0,0,0,0,0|3,0,0]=3 24 B8R1.4 c1c(nc(cn1)Cl)Cl BC203419 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.4 c1c(nc(cn1)Cl)N BC210181 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.4 c1c(ncnc1Cl)N BC210182 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.4 c1c(ncnc1N)N BC211173 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.4 c1c[nH]c(=O)cc1Br BC683009 [0,0,0,0,0,0|2,0,1]=3 29 B8R1.4 c1cc(cc(c1)Br)Br BC675855 [0,0,0,0,0,0|2,0,0]=2 30 B8R1.4 c1cc(cc(c1)Br)S BC667223 [0,0,0,0,0,0|1,1,0]=2 31 B8R1.4 c1cc(cc(c1)Cl)Cl BC205103 [0,0,0,0,0,0|2,0,0]=2 32 B8R1.4 c1cc(cc(c1)I)Br BC675850 [0,0,0,0,0,0|2,0,0]=2 33 B8R1.4 c1cc(cc(c1)I)N BC213647 [0,0,0,0,0,0|2,0,0]=2 34 B8R1.4 c1cc(cc(c1)O)O BC207605 [0,0,0,0,0,0|1,0,0]=1 35 B8R1.4 c1cc(nc(c1)Br)F BC219144 [0,0,0,0,0,0|3,0,0]=3 36 B8R1.4 c1cc(nc(c1)Br)N BC207509 [0,0,0,0,0,0|3,0,0]=3 37 B8R1.4 c1cc(nc(c1)Cl)N BC201207 [0,0,0,0,0,0|3,0,0]=3 38 B8R1.4 c1cc(nc(c1)F)N BC222333 [0,0,0,0,0,0|3,0,0]=3 39 B8R1.4 c1cc(nc(c1)N)N BC200771 [0,0,0,0,0,0|3,0,0]=3 40 B8R1.4 c1cnc(cc1Br)Br BC204489 [0,0,0,0,0,0|3,0,0]=3 41 B8R1.4 c1cnc(cc1Br)Cl BC204493 [0,0,0,0,0,0|3,0,0]=3 42 B8R1.4 c1cnc(cc1Br)N BC225238 [0,0,0,0,0,0|3,0,0]=3 43 B8R1.4 c1cnc(cc1Br)O BC228856 [0,0,0,0,0,0|2,0,0]=2 44 B8R1.4 c1cnc(cc1Cl)Br BC204494 [0,0,0,0,0,0|3,0,0]=3 45 B8R1.4 c1cnc(cc1Cl)Cl BC204488 [0,0,0,0,0,0|3,0,0]=3 46 B8R1.4 c1cnc(cc1Cl)N BC225236 [0,0,0,0,0,0|3,0,0]=3 47 B8R1.4 c1cnc(cc1F)Br BC226649 [0,0,0,0,0,0|3,0,0]=3 48 B8R1.4 c1cnc(cc1F)Cl BC226637 [0,0,0,0,0,0|3,0,0]=3 49 B8R1.4 c1cnc(cc1F)F BC212172 [0,0,0,0,0,0|3,0,0]=3 50 B8R1.4 c1cnc(cc1F)N BC670027 [0,0,0,0,0,0|3,0,0]=3 51 B8R1.4 c1cnc(cc1I)F BC225099 [0,0,0,0,0,0|3,0,0]=3 52 B8R1.4 c1cnc(cc1N)Br BC205180 [0,0,0,0,0,0|3,0,0]=3 53 B8R1.4 c1cnc(cc1N)Cl BC227047 [0,0,0,0,0,0|3,0,0]=3 54 B8R1.4 c1cnc(cc1N)F BC227044 [0,0,0,0,0,0|3,0,0]=3 55 B8R1.4 c1cnc(cc1N)N BC227163 [0,0,0,0,0,0|3,0,0]=3 56 B8R1.4 c1cnc(cc1O)Br BC208749 [0,0,0,0,0,0|2,0,0]=2 57 B8R1.4 c1cnc(cc1O)F BC656317 [0,0,0,0,0,0|2,0,0]=2 58 B8R1.4 c1cnc(cc1O)N BC222335 [0,0,0,0,0,0|2,0,0]=2 59 B8R1.4 c1cnc(cc1O)O BC208052 [0,0,0,0,0,0|2,0,0]=2 60 B8R1.4 c1cnc(nc1Cl)Cl BC206162 [0,0,0,0,0,0|4,0,0]=4 61 B8R1.4 c1cnc(nc1Cl)N BC201228 [0,0,0,0,0,0|4,0,0]=4 62 B7R1.3 Cc1cccnc1 BC228007 [1,0,0,0,0,0|1,0,0]=2 63 B7R1.3 c1c(cncn1)F BC215541 [1,0,0,0,0,0|3,0,0]=4 64 B7R1.3 c1c(cncn1)O BC228081 [1,0,0,0,0,0|2,0,0]=3 65 B7R1.3 c1c[nH]c(=O)nc1 BC215238 [1,0,0,0,0,0|2,0,1]=4 66 B7R1.3 c1cc(=O)[nH]nc1 BC225809 [1,0,0,0,0,0|2,0,1]=4 67 B7R1.3 c1cc(cnc1)Cl BC209276 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.3 c1cc(cnc1)I BC225230 [1,0,0,0,0,0|2,0,0]=3 69 B7R1.3 c1cc(cnc1)S BC244412 [1,0,0,0,0,0|1,1,0]=3 70 B7R1.3 c1cc(nnc1)Cl BC675997 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.3 c1cc(nnc1)N BC649957 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.3 c1cc[n+](cc1)[O-] BC227085 [1,0,0,0,0,0|1,0,1]=3 73 B7R1.3 c1ccnc(c1)Cl BC653330 [1,0,0,0,0,0|2,0,0]=3 74 B7R1.3 c1cnc(cn1)Cl BC226186 [1,0,0,0,0,0|3,0,0]=4 75 B7R1.3 c1cnc(nc1)N BC209308 [1,0,0,0,0,0|3,0,0]=4 76 B7R1.3 c1cnc(nc1)O BC209309 [1,0,0,0,0,0|2,0,0]=3 77 B7R1.3 c1cnc(nc1)S BC227980 [1,0,0,0,0,0|2,1,0]=4 78 B7R1.3 c1cnc[nH]c1=O BC209585 [1,0,0,0,0,0|2,0,1]=4 79 B7R1.3 c1cnccc1Br BC204910 [1,0,0,0,0,0|2,0,0]=3 80 B7R1.3 c1cnccc1F BC219199 [1,0,0,0,0,0|2,0,0]=3 81 B7R1.3 c1cnccc1F BC227092 [1,0,0,0,0,0|2,0,0]=3 82 B7R1.3 c1cnccc1I BC206126 [1,0,0,0,0,0|2,0,0]=3 83 B7R1.3 c1cnccc1N BC227053 [1,0,0,0,0,0|2,0,0]=3 84 B7R1.3 c1cncnc1Cl BC667224 [1,0,0,0,0,0|3,0,0]=4 85 B7R1.3 c1cncnc1N BC653395 [1,0,0,0,0,0|3,0,0]=4 86 B7R1.3 c1cncnc1O BC228083 [1,0,0,0,0,0|2,0,0]=3 87 B7R1.3 c1cnncc1Br BC659695 [1,0,0,0,0,0|3,0,0]=4 88 B7R1.3 c1cnncc1N BC659705 [1,0,0,0,0,0|3,0,0]=4 89 B9R1.2 C#Cc1cccc(c1)F BC215302 [0,1,0,0,0,0|1,0,1]=3 90 B9R1.2 C#Cc1cccc(c1)N BC677915 [0,1,0,0,0,0|1,0,1]=3 91 B9R1.2 CCc1cccc(c1)Br BC675848 [0,1,0,0,0,0|1,0,0]=2 92 B9R1.2 CCc1cccc(c1)N BC219618 [0,1,0,0,0,0|1,0,0]=2 93 B9R1.2 COc1cc(ccn1)I BC221863 [0,1,0,0,0,0|2,0,0]=3 94 B9R1.2 COc1cc(cnc1)N BC678830 [0,1,0,0,0,0|2,0,0]=3 95 B9R1.2 COc1cccc(c1)Br BC208526 [0,1,0,0,0,0|1,0,0]=2 96 B9R1.2 COc1cccc(n1)N BC205868 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 COc1ccnc(c1)Cl BC201211 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 COc1ccnc(c1)N BC225237 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 COc1ccnc(n1)Br BC676344 [0,1,0,0,0,0|3,0,0]=4 100 B9R1.2 COc1ccnc(n1)N BC659015 [0,1,0,0,0,0|3,0,0]=4 101 B9R1.2 CSc1[nH]c(=O)ccn1 BC215669 [0,1,0,0,0,0|2,0,1]=4 102 B9R1.2 CSc1cccc(c1)I BC210370 [0,1,0,0,0,0|1,0,0]=2 103 B9R1.2 CSc1ccnc(n1)Cl BC200466 [0,1,0,0,0,0|3,0,0]=4 104 B9R1.2 CSc1nccc(n1)Cl BC200467 [0,1,0,0,0,0|3,0,0]=4 105 B9R1.2 Cc1cccc(c1)C#C BC221826 [0,1,0,0,0,0|1,0,0]=2 106 B9R1.2 Cc1cccc(n1)C#N BC207373 [0,1,0,0,0,0|2,0,0]=3 107 B9R1.2 Cc1cccc(n1)C=O BC202245 [0,1,0,0,0,0|1,0,1]=3 108 B9R1.2 Cc1cccc(n1)CO BC225232 [0,1,0,0,0,0|1,0,0]=2 109 B9R1.2 Cc1cccc(n1)OC BC207375 [0,1,0,0,0,0|1,0,0]=2 110 B9R1.2 Cc1nccc(n1)C=O BC200464 [0,1,0,0,0,0|2,0,1]=4 111 B9R1.2 Cc1nccc(n1)CO BC684778 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.2 c1c(cncc1Br)CCl BC200350 [0,1,0,0,0,0|2,0,0]=3 113 B9R1.2 c1c(cncc1Br)CO BC207465 [0,1,0,0,0,0|2,0,0]=3 114 B9R1.2 c1c(cncc1F)C=O BC227139 [0,1,0,0,0,0|2,0,1]=4 115 B9R1.2 c1c(cncc1N)C#N BC207477 [0,1,0,0,0,0|2,0,1]=4 116 B9R1.2 c1c(cncc1O)C#N BC650813 [0,1,0,0,0,0|1,0,1]=3 117 B9R1.2 c1cc(cc(c1)Br)C=O BC211001 [0,1,0,0,0,0|1,0,1]=3 118 B9R1.2 c1cc(cc(c1)Cl)C#N BC209644 [0,1,0,0,0,0|1,0,1]=3 119 B9R1.2 c1cc(cc(c1)Cl)C=O BC227688 [0,1,0,0,0,0|1,0,1]=3 120 B9R1.2 c1cc(cc(c1)Cl)NN BC213414 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.2 c1cc(cc(c1)F)CCl BC675428 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.2 c1cc(cc(c1)O)C=O BC226069 [0,1,0,0,0,0|0,0,1]=2 123 B9R1.2 c1cc(nc(c1)Br)C#N BC207510 [0,1,0,0,0,0|2,0,1]=4 124 B9R1.2 c1cc(nc(c1)Br)CBr BC208401 [0,1,0,0,0,0|2,0,0]=3 125 B9R1.2 c1cc(nc(c1)Br)CO BC208400 [0,1,0,0,0,0|2,0,0]=3 126 B9R1.2 c1cc(nc(c1)Br)NN BC679670 [0,1,0,0,0,0|3,0,0]=4 127 B9R1.2 c1cc(nc(c1)Cl)C=O BC200574 [0,1,0,0,0,0|2,0,1]=4 128 B9R1.2 c1cc(nc(c1)Cl)CO BC208690 [0,1,0,0,0,0|2,0,0]=3 129 B9R1.2 c1cc(nc(c1)F)C#N BC227121 [0,1,0,0,0,0|2,0,1]=4 130 B9R1.2 c1cnc(cc1Br)CO BC222259 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.2 c1cnc(cc1C#N)N BC208462 [0,1,0,0,0,0|2,0,1]=4 132 B9R1.2 c1cnc(cc1C=O)Br BC207461 [0,1,0,0,0,0|2,0,1]=4 133 B9R1.2 c1cnc(cc1C=O)Cl BC222332 [0,1,0,0,0,0|2,0,1]=4 134 B9R1.2 c1cnc(cc1C=O)O BC229040 [0,1,0,0,0,0|1,0,1]=3 135 B9R1.2 c1cnc(cc1CO)Br BC207432 [0,1,0,0,0,0|2,0,0]=3 136 B9R1.2 c1cnc(cc1CO)Cl BC208450 [0,1,0,0,0,0|2,0,0]=3 137 B9R1.2 c1cnc(cc1CO)N BC228974 [0,1,0,0,0,0|2,0,0]=3 138 B9R1.2 c1cnc(cc1NN)Cl BC675240 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.3 Cc1c(c(ncn1)C)N BC674950 [0,1,0,0,0,0|3,0,0]=4 140 B9R1.3 Cc1c(cccc1Br)N BC221954 [0,1,0,0,0,0|2,0,0]=3 141 B9R1.3 Cc1c(cccc1F)N BC215399 [0,1,0,0,0,0|2,0,0]=3 142 B9R1.3 Cc1c(ccnc1Cl)Cl BC201217 [0,1,0,0,0,0|3,0,0]=4 143 B9R1.3 Cc1c(ccnc1F)I BC228830 [0,1,0,0,0,0|3,0,0]=4 144 B9R1.3 Cc1cccc(c1Br)F BC201345 [0,1,0,0,0,0|1,0,0]=2 145 B9R1.3 Cc1cccc(c1C)Br BC206660 [0,1,0,0,0,0|1,0,0]=2 146 B9R1.3 Cc1cccc(c1F)N BC206794 [0,1,0,0,0,0|1,0,0]=2 147 B9R1.3 Cc1cccc(c1N)F BC211661 [0,1,0,0,0,0|1,0,0]=2 148 B9R1.3 Cc1cccn(c1=O)C BC655672 [0,1,0,0,0,0|2,0,0]=3 149 B9R1.3 Cc1ccnc(c1F)Br BC219138 [0,1,0,0,0,0|2,0,0]=3 150 B9R1.3 Cc1ccnc(c1F)N BC228706 [0,1,0,0,0,0|2,0,0]=3 151 B9R1.3 Cc1ccnc(c1N)Br BC219098 [0,1,0,0,0,0|2,0,0]=3 152 B9R1.3 Cc1ccnc(c1N)Cl BC206129 [0,1,0,0,0,0|2,0,0]=3 153 B9R1.3 Cc1ccnc(c1N)F BC219105 [0,1,0,0,0,0|2,0,0]=3 154 B9R1.3 c1c(c(c(cn1)Br)N)Br BC234497 [0,1,0,0,0,0|3,0,0]=4 155 B9R1.3 c1c(c(c(cn1)Br)N)N BC256594 [0,1,0,0,0,0|3,0,0]=4 156 B9R1.3 c1c(c(c(cn1)Cl)Cl)Cl BC226659 [0,1,0,0,0,0|3,0,0]=4 157 B9R1.3 c1cc(c(c(c1)Br)F)F BC227387 [0,1,0,0,0,0|2,0,0]=3 158 B9R1.3 c1cc(c(c(c1)Br)N)Br BC209393 [0,1,0,0,0,0|2,0,0]=3 159 B9R1.3 c1cc(c(c(c1)Br)N)Cl BC600280 [0,1,0,0,0,0|2,0,0]=3 160 B9R1.3 c1cc(c(c(c1)Br)O)N BC225215 [0,1,0,0,0,0|2,0,0]=3 161 B9R1.3 c1cc(c(c(c1)Cl)F)F BC675881 [0,1,0,0,0,0|2,0,0]=3 162 B9R1.3 c1cc(c(c(c1)Cl)F)N BC206739 [0,1,0,0,0,0|2,0,0]=3 163 B9R1.3 c1cc(c(c(c1)Cl)O)Cl BC228038 [0,1,0,0,0,0|2,0,0]=3 164 B9R1.3 c1cc(c(c(c1)F)Br)O BC210240 [0,1,0,0,0,0|1,0,0]=2 165 B9R1.3 c1cc(c(c(c1)F)F)N BC206798 [0,1,0,0,0,0|2,0,0]=3 166 B9R1.3 c1cc(c(c(c1)F)N)F BC201185 [0,1,0,0,0,0|2,0,0]=3 167 B9R1.3 c1cc(c(c(c1)I)F)F BC224269 [0,1,0,0,0,0|2,0,0]=3 168 B9R1.3 c1cc(c(c(c1)O)Cl)N BC686632 [0,1,0,0,0,0|1,0,0]=2 169 B9R1.3 c1cc(c(c(c1)O)O)O BC202160 [0,1,0,0,0,0|1,0,0]=2 170 B9R1.3 c1cnc(c(c1Br)Br)Br BC600178 [0,1,0,0,0,0|3,0,0]=4 171 B9R1.3 c1cnc(c(c1Br)O)N BC228713 [0,1,0,0,0,0|3,0,0]=4 172 B9R1.3 c1cnc(c(c1Cl)F)F BC214609 [0,1,0,0,0,0|3,0,0]=4 173 B9R1.3 c1cnc(c(c1Cl)N)Cl BC227171 [0,1,0,0,0,0|3,0,0]=4 174 B9R1.3 c1cnc(c(c1Cl)O)N BC228716 [0,1,0,0,0,0|3,0,0]=4 175 B9R1.3 c1cnc(c(c1F)O)N BC228720 [0,1,0,0,0,0|3,0,0]=4 176 B9R1.3 c1cnc(c(c1I)Br)F BC228818 [0,1,0,0,0,0|3,0,0]=4 177 B9R1.3 c1cnc(c(c1I)F)Cl BC228786 [0,1,0,0,0,0|3,0,0]=4 178 B9R1.3 c1cnc(c(c1N)Br)Cl BC227091 [0,1,0,0,0,0|3,0,0]=4 179 B9R1.3 c1cnc(c(c1N)N)Cl BC226758 [0,1,0,0,0,0|3,0,0]=4 180 B9R1.3 c1nc(c(c(n1)O)N)N BC686533 [0,1,0,0,0,0|3,0,0]=4 181 B9R1.34 Cc1cc(=O)[nH]c(=O)[nH]1 BC226865 [0,1,0,0,0,0|2,0,1]=4 182 B9R1.34 Cc1cc(cc(=O)o1)O BC678859 [0,1,0,0,0,0|1,0,0]=2 183 B9R1.34 Cc1cc(cc(c1)Br)Br BC205600 [0,1,0,0,0,0|1,0,0]=2 184 B9R1.34 Cc1cc(cc(c1)F)F BC211658 [0,1,0,0,0,0|1,0,0]=2 185 B9R1.34 Cc1cc(cc(c1)F)N BC201154 [0,1,0,0,0,0|1,0,0]=2 186 B9R1.34 Cc1cc(cc(c1)O)C BC227805 [0,1,0,0,0,0|0,0,0]=1 187 B9R1.34 Cc1cc(cc(n1)Cl)Cl BC227175 [0,1,0,0,0,0|2,0,0]=3 188 B9R1.34 Cc1cc(nc(c1)Br)C BC227060 [0,1,0,0,0,0|2,0,0]=3 189 B9R1.34 Cc1cc(nc(c1)Br)F BC228778 [0,1,0,0,0,0|2,0,0]=3 190 B9R1.34 Cc1cc(nc(c1)Cl)C BC227119 [0,1,0,0,0,0|2,0,0]=3 191 B9R1.34 Cc1cc(nc(c1)N)C BC210192 [0,1,0,0,0,0|2,0,0]=3 192 B9R1.34 Cc1cc(nc(c1)O)C BC202952 [0,1,0,0,0,0|1,0,0]=2 193 B9R1.34 Cc1cc(nc(n1)C)Br BC676346 [0,1,0,0,0,0|3,0,0]=4 194 B9R1.34 Cc1cc(nc(n1)I)C BC600109 [0,1,0,0,0,0|3,0,0]=4 195 B9R1.34 Cc1nc(cc(n1)Cl)N BC674951 [0,1,0,0,0,0|3,0,0]=4 196 B9R1.34 c1c(cc(=O)[nH]c1N)O BC686697 [0,1,0,0,0,0|2,0,0]=3 197 B9R1.34 c1c(cc(cc1Br)Br)Cl BC213775 [0,1,0,0,0,0|2,0,0]=3 198 B9R1.34 c1c(cc(cc1Br)Br)F BC218963 [0,1,0,0,0,0|2,0,0]=3 199 B9R1.34 c1c(cc(cc1Br)Br)O BC201431 [0,1,0,0,0,0|1,0,0]=2 200 B9R1.34 c1c(cc(cc1Cl)Br)F BC211112 [0,1,0,0,0,0|2,0,0]=3 201 B9R1.34 c1c(cc(cc1Cl)Cl)O BC227802 [0,1,0,0,0,0|1,0,0]=2 202 B9R1.34 c1c(cc(cc1Cl)I)Cl BC213655 [0,1,0,0,0,0|2,0,0]=3 203 B9R1.34 c1c(cc(cc1F)Cl)N BC209669 [0,1,0,0,0,0|2,0,0]=3 204 B9R1.34 c1c(cc(cc1F)F)O BC200196 [0,1,0,0,0,0|1,0,0]=2 205 B9R1.34 c1c(cc(cc1O)O)O BC200250 [0,1,0,0,0,0|1,0,0]=2 206 B9R1.34 c1c(cc(nc1Cl)Cl)Cl BC214424 [0,1,0,0,0,0|3,0,0]=4 207 B9R1.34 c1c(cc(nc1Cl)Cl)N BC212475 [0,1,0,0,0,0|3,0,0]=4 208 B9R1.34 c1c(cc(nc1N)Cl)Cl BC201215 [0,1,0,0,0,0|3,0,0]=4 209 B9R1.34 c1c(nc(nc1O)S)N BC676767 [0,1,0,0,0,0|3,0,0]=4 210 B9R1.69 Cc1c(cc(cn1)Br)Cl BC216612 [0,1,0,0,0,0|3,0,0]=4 211 B9R1.69 Cc1c(cc(cn1)Br)N BC216613 [0,1,0,0,0,0|3,0,0]=4 212 B9R1.69 Cc1c(ccc(n1)Br)F BC211685 [0,1,0,0,0,0|2,0,0]=3 213 B9R1.69 Cc1c(ccc(n1)Cl)F BC219165 [0,1,0,0,0,0|2,0,0]=3 214 B9R1.69 Cc1c(ccc(n1)Cl)F BC677936 [0,1,0,0,0,0|2,0,0]=3 215 B9R1.69 Cc1c(ccc(n1)Cl)N BC219100 [0,1,0,0,0,0|2,0,0]=3 216 B9R1.69 Cc1c(ccc(n1)Cl)O BC240165 [0,1,0,0,0,0|2,0,0]=3 217 B9R1.69 Cc1c(ccc(n1)F)N BC219106 [0,1,0,0,0,0|2,0,0]=3 218 B9R1.69 Cc1c(cnc(n1)N)Br BC201891 [0,1,0,0,0,0|3,0,0]=4 219 B9R1.69 Cc1cc(c(nc1)Br)Br BC219171 [0,1,0,0,0,0|2,0,0]=3 220 B9R1.69 Cc1cc(c(nc1)Br)Cl BC228752 [0,1,0,0,0,0|2,0,0]=3 221 B9R1.69 Cc1cc(c(nc1)Cl)Br BC219126 [0,1,0,0,0,0|2,0,0]=3 222 B9R1.69 Cc1cc(c(nc1)F)Br BC219140 [0,1,0,0,0,0|2,0,0]=3 223 B9R1.69 Cc1cc(c(nc1)F)Cl BC677133 [0,1,0,0,0,0|2,0,0]=3 224 B9R1.69 Cc1cc(c(nc1)F)I BC219175 [0,1,0,0,0,0|2,0,0]=3 225 B9R1.69 Cc1cc(c(nc1)N)O BC228725 [0,1,0,0,0,0|1,0,0]=2 226 B9R1.69 Cc1cc(ccc1Br)O BC207712 [0,1,0,0,0,0|0,0,0]=1 227 B9R1.69 Cc1cc(ccc1Cl)Cl BC207920 [0,1,0,0,0,0|1,0,0]=2 228 B9R1.69 Cc1cc(ccc1Cl)O BC207565 [0,1,0,0,0,0|0,0,0]=1 229 B9R1.69 Cc1cc(ccc1F)Br BC207178 [0,1,0,0,0,0|1,0,0]=2 230 B9R1.69 Cc1cc(ccc1I)O BC211956 [0,1,0,0,0,0|0,0,0]=1 231 B9R1.69 Cc1cc(ccc1N)I BC220172 [0,1,0,0,0,0|1,0,0]=2 232 B9R1.69 Cc1cc(ccc1N)N BC203474 [0,1,0,0,0,0|1,0,0]=2 233 B9R1.69 Cc1cc(ccc1N)O BC649929 [0,1,0,0,0,0|0,0,0]=1 234 B9R1.69 Cc1cc(ccc1O)O BC201519 [0,1,0,0,0,0|0,0,0]=1 235 B9R1.69 Cc1cc(ccc1O)S BC220806 [0,1,0,0,0,0|0,1,0]=2 236 B9R1.69 Cc1cc(cnc1Br)Cl BC219125 [0,1,0,0,0,0|2,0,0]=3 237 B9R1.69 Cc1cc(cnc1Br)I BC228774 [0,1,0,0,0,0|2,0,0]=3 238 B9R1.69 Cc1cc(cnc1Br)N BC227027 [0,1,0,0,0,0|2,0,0]=3 239 B9R1.69 Cc1cc(cnc1Br)O BC228773 [0,1,0,0,0,0|1,0,0]=2 240 B9R1.69 Cc1cc(cnc1Cl)Br BC204485 [0,1,0,0,0,0|2,0,0]=3 241 B9R1.69 Cc1cc(cnc1Cl)F BC219162 [0,1,0,0,0,0|2,0,0]=3 242 B9R1.69 Cc1cc(cnc1Cl)N BC219101 [0,1,0,0,0,0|2,0,0]=3 243 B9R1.69 Cc1cc(cnc1F)Br BC219142 [0,1,0,0,0,0|2,0,0]=3 244 B9R1.69 Cc1cc(cnc1F)Cl BC219163 [0,1,0,0,0,0|2,0,0]=3 245 B9R1.69 Cc1cc(cnc1F)N BC219108 [0,1,0,0,0,0|2,0,0]=3 246 B9R1.69 Cc1cc(cnc1N)Br BC226638 [0,1,0,0,0,0|2,0,0]=3 247 B9R1.69 Cc1cc(cnc1N)N BC227178 [0,1,0,0,0,0|2,0,0]=3 248 B9R1.69 Cc1cc(ncc1Br)Br BC213723 [0,1,0,0,0,0|2,0,0]=3 249 B9R1.69 Cc1cc(ncc1N)Br BC228768 [0,1,0,0,0,0|2,0,0]=3 250 B9R1.69 Cc1cc(ncc1N)C BC208427 [0,1,0,0,0,0|2,0,0]=3 251 B9R1.69 Cc1cc(nnc1Cl)Cl BC222083 [0,1,0,0,0,0|3,0,0]=4 252 B9R1.69 Cc1ccc(c(c1)Br)C BC202051 [0,1,0,0,0,0|1,0,0]=2 253 B9R1.69 Cc1ccc(c(c1)Br)O BC228036 [0,1,0,0,0,0|1,0,0]=2 254 B9R1.69 Cc1ccc(c(c1)C)S BC685862 [0,1,0,0,0,0|1,0,0]=2 255 B9R1.69 Cc1ccc(c(c1)N)F BC207170 [0,1,0,0,0,0|1,0,0]=2 256 B9R1.69 Cc1ccc(c(c1)N)I BC680398 [0,1,0,0,0,0|1,0,0]=2 257 B9R1.69 Cc1ccc(c(c1)O)O BC204625 [0,1,0,0,0,0|0,0,0]=1 258 B9R1.69 Cc1ccc(c(n1)Br)Br BC219172 [0,1,0,0,0,0|2,0,0]=3 259 B9R1.69 Cc1ccc(c(n1)Br)F BC219139 [0,1,0,0,0,0|2,0,0]=3 260 B9R1.69 Cc1ccc(c(n1)Br)N BC650925 [0,1,0,0,0,0|2,0,0]=3 261 B9R1.69 Cc1ccc(c(n1)Cl)Br BC219127 [0,1,0,0,0,0|2,0,0]=3 262 B9R1.69 Cc1ccc(c(n1)Cl)Cl BC227158 [0,1,0,0,0,0|2,0,0]=3 263 B9R1.69 Cc1ccc(c(n1)Cl)F BC219161 [0,1,0,0,0,0|2,0,0]=3 264 B9R1.69 Cc1ccc(c(n1)Cl)N BC208643 [0,1,0,0,0,0|2,0,0]=3 265 B9R1.69 Cc1ccc(c(n1)F)Br BC219141 [0,1,0,0,0,0|2,0,0]=3 266 B9R1.69 Cc1ccc(c(n1)N)Br BC202224 [0,1,0,0,0,0|2,0,0]=3 267 B9R1.69 Cc1ccc(c(n1)N)O BC228726 [0,1,0,0,0,0|2,0,0]=3 268 B9R1.69 Cc1ccc(c(n1)O)Br BC208734 [0,1,0,0,0,0|1,0,0]=2 269 B9R1.69 Cc1ccc(cc1C)Br BC201497 [0,1,0,0,0,0|1,0,0]=2 270 B9R1.69 Cc1ccc(cc1F)Br BC227411 [0,1,0,0,0,0|2,0,0]=3 271 B9R1.69 Cc1ccc(cc1N)Br BC211655 [0,1,0,0,0,0|2,0,0]=3 272 B9R1.69 Cc1ccc(cc1N)F BC207142 [0,1,0,0,0,0|2,0,0]=3 273 B9R1.69 Cc1ccc(cc1O)Cl BC683431 [0,1,0,0,0,0|1,0,0]=2 274 B9R1.69 Cc1cnc(cc1Cl)Cl BC227174 [0,1,0,0,0,0|3,0,0]=4 275 B9R1.69 c1c(c(cnc1Cl)Br)Cl BC244898 [0,1,0,0,0,0|3,0,0]=4 276 B9R1.69 c1c(c(cnc1Cl)F)Br BC227054 [0,1,0,0,0,0|3,0,0]=4 277 B9R1.69 c1c(c(cnc1Cl)F)I BC228801 [0,1,0,0,0,0|3,0,0]=4 278 B9R1.69 c1c(c(cnc1Cl)N)I BC637063 [0,1,0,0,0,0|3,0,0]=4 279 B9R1.69 c1c(c(cnc1Cl)N)N BC229038 [0,1,0,0,0,0|3,0,0]=4 280 B9R1.69 c1c(c(cnc1F)Cl)I BC228831 [0,1,0,0,0,0|3,0,0]=4 281 B9R1.69 c1c(c(cnc1F)F)Cl BC214615 [0,1,0,0,0,0|3,0,0]=4 282 B9R1.69 c1c(c(cnc1O)Cl)O BC209060 [0,1,0,0,0,0|2,0,0]=3 283 B9R1.69 c1c(c(cnc1O)F)Br BC228855 [0,1,0,0,0,0|2,0,0]=3 284 B9R1.69 c1c(cnc(c1Br)Cl)Cl BC219132 [0,1,0,0,0,0|3,0,0]=4 285 B9R1.69 c1c(cnc(c1Br)Cl)F BC253402 [0,1,0,0,0,0|3,0,0]=4 286 B9R1.69 c1c(cnc(c1Br)Cl)O BC228782 [0,1,0,0,0,0|2,0,0]=3 287 B9R1.69 c1c(cnc(c1Br)F)Cl BC219120 [0,1,0,0,0,0|3,0,0]=4 288 B9R1.69 c1c(cnc(c1Br)F)O BC228820 [0,1,0,0,0,0|2,0,0]=3 289 B9R1.69 c1c(cnc(c1Br)I)Br BC228860 [0,1,0,0,0,0|3,0,0]=4 290 B9R1.69 c1c(cnc(c1Br)N)Cl BC219091 [0,1,0,0,0,0|3,0,0]=4 291 B9R1.69 c1c(cnc(c1Br)N)F BC219093 [0,1,0,0,0,0|3,0,0]=4 292 B9R1.69 c1c(cnc(c1Br)O)F BC219134 [0,1,0,0,0,0|3,0,0]=4 293 B9R1.69 c1c(cnc(c1Cl)Br)Cl BC208803 [0,1,0,0,0,0|3,0,0]=4 294 B9R1.69 c1c(cnc(c1Cl)Br)O BC228750 [0,1,0,0,0,0|2,0,0]=3 295 B9R1.69 c1c(cnc(c1Cl)Cl)Br BC227034 [0,1,0,0,0,0|3,0,0]=4 296 B9R1.69 c1c(cnc(c1Cl)Cl)Cl BC204270 [0,1,0,0,0,0|3,0,0]=4 297 B9R1.69 c1c(cnc(c1Cl)Cl)N BC227051 [0,1,0,0,0,0|3,0,0]=4 298 B9R1.69 c1c(cnc(c1Cl)Cl)O BC227155 [0,1,0,0,0,0|2,0,0]=3 299 B9R1.69 c1c(cnc(c1Cl)N)O BC228700 [0,1,0,0,0,0|2,0,0]=3 300 B9R1.69 c1c(cnc(c1F)Br)F BC668600 [0,1,0,0,0,0|3,0,0]=4 301 B9R1.69 c1c(cnc(c1F)Cl)Br BC219121 [0,1,0,0,0,0|3,0,0]=4 302 B9R1.69 c1c(cnc(c1F)Cl)O BC228788 [0,1,0,0,0,0|2,0,0]=3 303 B9R1.69 c1c(cnc(c1F)F)Br BC227059 [0,1,0,0,0,0|3,0,0]=4 304 B9R1.69 c1c(cnc(c1F)F)F BC227023 [0,1,0,0,0,0|3,0,0]=4 305 B9R1.69 c1c(cnc(c1F)N)Br BC236256 [0,1,0,0,0,0|3,0,0]=4 306 B9R1.69 c1c(cnc(c1F)O)Br BC226863 [0,1,0,0,0,0|3,0,0]=4 307 B9R1.69 c1c(cnc(c1I)N)Br BC220342 [0,1,0,0,0,0|3,0,0]=4 308 B9R1.69 c1c(cnc(c1N)Br)F BC219094 [0,1,0,0,0,0|3,0,0]=4 309 B9R1.69 c1c(cnc(c1N)N)Cl BC227147 [0,1,0,0,0,0|3,0,0]=4 310 B9R1.69 c1c(cnc(c1N)N)F BC227148 [0,1,0,0,0,0|3,0,0]=4 311 B9R1.69 c1c(cnc(c1O)Cl)Br BC256298 [0,1,0,0,0,0|2,0,0]=3 312 B9R1.69 c1c(cnc(c1O)N)Br BC658447 [0,1,0,0,0,0|2,0,0]=3 313 B9R1.69 c1c(cnc(c1O)N)F BC228724 [0,1,0,0,0,0|2,0,0]=3 314 B9R1.69 c1cc(c(cc1Br)Cl)F BC203452 [0,1,0,0,0,0|2,0,0]=3 315 B9R1.69 c1cc(c(cc1Br)F)F BC226440 [0,1,0,0,0,0|2,0,0]=3 316 B9R1.69 c1cc(c(cc1Br)F)O BC200633 [0,1,0,0,0,0|2,0,0]=3 317 B9R1.69 c1cc(c(cc1Br)N)N BC222419 [0,1,0,0,0,0|2,0,0]=3 318 B9R1.69 c1cc(c(cc1Br)N)O BC216412 [0,1,0,0,0,0|2,0,0]=3 319 B9R1.69 c1cc(c(cc1Br)O)Cl BC680561 [0,1,0,0,0,0|1,0,0]=2 320 B9R1.69 c1cc(c(cc1Cl)Cl)F BC675767 [0,1,0,0,0,0|2,0,0]=3 321 B9R1.69 c1cc(c(cc1Cl)Cl)O BC683159 [0,1,0,0,0,0|2,0,0]=3 322 B9R1.69 c1cc(c(cc1Cl)Cl)S BC646085 [0,1,0,0,0,0|2,0,0]=3 323 B9R1.69 c1cc(c(cc1Cl)I)N BC227783 [0,1,0,0,0,0|2,0,0]=3 324 B9R1.69 c1cc(c(cc1Cl)N)Br BC645243 [0,1,0,0,0,0|2,0,0]=3 325 B9R1.69 c1cc(c(cc1Cl)N)N BC222890 [0,1,0,0,0,0|2,0,0]=3 326 B9R1.69 c1cc(c(cc1F)Br)F BC203460 [0,1,0,0,0,0|2,0,0]=3 327 B9R1.69 c1cc(c(cc1F)Br)O BC210241 [0,1,0,0,0,0|2,0,0]=3 328 B9R1.69 c1cc(c(cc1F)Cl)N BC209668 [0,1,0,0,0,0|2,0,0]=3 329 B9R1.69 c1cc(c(cc1F)Cl)O BC207122 [0,1,0,0,0,0|2,0,0]=3 330 B9R1.69 c1cc(c(cc1F)I)Cl BC675821 [0,1,0,0,0,0|2,0,0]=3 331 B9R1.69 c1cc(c(cc1F)N)F BC226439 [0,1,0,0,0,0|2,0,0]=3 332 B9R1.69 c1cc(c(cc1F)O)Br BC210242 [0,1,0,0,0,0|1,0,0]=2 333 B9R1.69 c1cc(c(cc1F)O)N BC686429 [0,1,0,0,0,0|1,0,0]=2 334 B9R1.69 c1cc(c(cc1F)O)O BC201436 [0,1,0,0,0,0|1,0,0]=2 335 B9R1.69 c1cc(c(cc1I)F)F BC201012 [0,1,0,0,0,0|2,0,0]=3 336 B9R1.69 c1cc(c(cc1I)F)O BC652354 [0,1,0,0,0,0|2,0,0]=3 337 B9R1.69 c1cc(c(cc1I)N)F BC686412 [0,1,0,0,0,0|2,0,0]=3 338 B9R1.69 c1cc(c(cc1N)Cl)Cl BC203358 [0,1,0,0,0,0|2,0,0]=3 339 B9R1.69 c1cc(c(cc1N)O)Cl BC677592 [0,1,0,0,0,0|1,0,0]=2 340 B9R1.69 c1cc(c(cc1N)O)O BC673428 [0,1,0,0,0,0|1,0,0]=2 341 B9R1.69 c1cc(c(cc1O)Br)F BC227792 [0,1,0,0,0,0|1,0,0]=2 342 B9R1.69 c1cc(c(cc1O)Cl)Br BC210230 [0,1,0,0,0,0|1,0,0]=2 343 B9R1.69 c1cc(c(cc1O)Cl)Cl BC210315 [0,1,0,0,0,0|1,0,0]=2 344 B9R1.69 c1cc(c(cc1O)Cl)N BC210179 [0,1,0,0,0,0|1,0,0]=2 345 B9R1.69 c1cc(c(cc1O)F)Cl BC227794 [0,1,0,0,0,0|1,0,0]=2 346 B9R1.69 c1cc(c(cc1O)N)Br BC638504 [0,1,0,0,0,0|1,0,0]=2 347 B9R1.69 c1cc(c(cc1O)N)F BC226676 [0,1,0,0,0,0|1,0,0]=2 348 B9R1.69 c1cc(c(cc1O)O)Br BC210237 [0,1,0,0,0,0|1,0,0]=2 349 B9R1.69 c1cc(nc(c1Br)Cl)Br BC256297 [0,1,0,0,0,0|3,0,0]=4 350 B9R1.69 c1cc(nc(c1Br)Cl)N BC256306 [0,1,0,0,0,0|3,0,0]=4 351 B9R1.69 c1cc(nc(c1Cl)Cl)Cl BC210705 [0,1,0,0,0,0|3,0,0]=4 352 B9R1.69 c1cc(nc(c1N)Br)Br BC202195 [0,1,0,0,0,0|3,0,0]=4 353 B7R1.2 C1=CC(=O)OC1=O BC200750 [0,0,0,0,1,0|2,0,1]=4 354 B7R1.2 CC1=CC(=O)CC1 BC243785 [0,0,0,0,1,0|0,0,3]=4 355 B7R1.2 CC1=CCC(=O)O1 BC205542 [0,0,0,0,1,0|1,0,2]=4 356 B7R1.2 Cc1cc(n[nH]1)C BC227849 [0,0,0,0,1,0|3,0,0]=4 357 B7R1.2 Cc1cc(no1)N BC200452 [0,0,0,0,1,0|3,0,0]=4 358 B7R1.2 Cc1ccc([nH]1)C BC203703 [0,0,0,0,1,0|2,0,0]=3 359 B7R1.2 Cc1cnc(s1)Br BC675562 [0,0,0,0,1,0|3,0,0]=4 360 B7R1.2 Cc1csc(n1)Br BC221845 [0,0,0,0,1,0|3,0,0]=4 361 B7R1.2 Cn1cc(cn1)Br BC679659 [0,0,0,0,1,0|3,0,0]=4 362 B7R1.2 Cn1cc(cn1)N BC262633 [0,0,0,0,1,0|3,0,0]=4 363 B7R1.2 Cn1cc(cn1)N BC265082 [0,0,0,0,1,0|3,0,0]=4 364 B7R1.2 Cn1cc(nc1)I BC220440 [0,0,0,0,1,0|3,0,0]=4 365 B7R1.2 Cn1cc[n+](c1)C BC220060 [0,0,0,0,1,0|3,0,0]=4 366 B7R1.2 Cn1ccc(n1)N BC202601 [0,0,0,0,1,0|3,0,0]=4 367 B7R1.2 c1c(csc1Br)Br BC685091 [0,0,0,0,1,0|3,0,0]=4 368 B7R1.2 c1cc(sc1Br)Br BC689401 [0,0,0,0,1,0|3,0,0]=4 369 B7R1.4 Cc1c(nc[nH]1)Br BC645293 [0,0,0,0,1,0|3,0,0]=4 370 B7R1.4 Cc1c(scn1)C BC225737 [0,0,0,0,1,0|3,0,0]=4 371 B7R1.4 Cc1cscc1C BC653364 [0,0,0,0,1,0|2,0,0]=3 372 B7R1.4 Cn1c(=O)ccs1 BC200617 [0,0,0,0,1,0|2,0,1]=4 373 B7R1.4 Cn1c(ccn1)N BC222455 [0,0,0,0,1,0|3,0,0]=4 374 B7R1.4 Cn1ccnc1N BC243320 [0,0,0,0,1,0|3,0,0]=4 375 B7R1.4 Cn1ccnc1S BC204140 [0,0,0,0,1,0|2,1,0]=4 376 B7R1.4 c1csc(c1Br)N BC297033 [0,0,0,0,1,0|3,0,0]=4 377 B6R0.2 CC(=CC(=O)O)C BC200231 [1,0,1,0,0,0|1,0,1]=4 378 B6R1.1 C1CC=CC=C1 BC207599 [2,0,0,0,0,0|0,0,2]=4 379 B6R1.1 c1ccncc1 BC220698 [2,0,0,0,0,0|1,0,0]=3 380 B8R1.2 C#Cc1ccccn1 BC225212 [1,1,0,0,0,0|1,0,1]=4 381 B8R1.2 C#Cc1ccncc1 BC677907 [1,1,0,0,0,0|1,0,1]=4 382 B8R1.2 C=Cc1cccnc1 BC675972 [1,1,0,0,0,0|1,0,1]=4 383 B8R1.2 CCc1cccnc1 BC223674 [1,1,0,0,0,0|1,0,0]=3 384 B8R1.2 COc1cccnc1 BC653137 [1,1,0,0,0,0|1,0,0]=3 385 B8R1.2 [C-]#[N+]c1ccccc1 BC297263 [1,1,0,0,0,0|0,0,1]=3 386 B8R1.2 c1c(cncn1)CBr BC678767 [1,1,0,0,0,0|2,0,0]=4 387 B8R1.2 c1c(cncn1)CCl BC678766 [1,1,0,0,0,0|2,0,0]=4 388 B8R1.2 c1c(cncn1)CO BC228080 [1,1,0,0,0,0|2,0,0]=4 389 B8R1.2 c1cc(cnc1)C=O BC221128 [1,1,0,0,0,0|1,0,1]=4 390 B8R1.2 c1cc(cnc1)CBr BC258182 [1,1,0,0,0,0|1,0,0]=3 391 B8R1.2 c1cc(cnc1)CBr BC281217 [1,1,0,0,0,0|1,0,0]=3 392 B8R1.2 c1cc(cnc1)CCl BC204269 [1,1,0,0,0,0|1,0,0]=3 393 B8R1.2 c1cc(cnc1)CN BC205833 [1,1,0,0,0,0|1,0,0]=3 394 B8R1.2 c1cc(cnc1)CO BC209311 [1,1,0,0,0,0|1,0,0]=3 395 B8R1.2 c1cc(cnc1)NN BC231979 [1,1,0,0,0,0|2,0,0]=4 396 B8R1.2 c1cc(cnc1)NN BC686688 [1,1,0,0,0,0|2,0,0]=4 397 B8R1.2 c1cc(cnc1)NN BC686691 [1,1,0,0,0,0|2,0,0]=4 398 B8R1.2 c1ccc(cc1)CBr BC220250 [1,1,0,0,0,0|0,0,0]=2 399 B8R1.2 c1ccc(cc1)CCl BC210975 [1,1,0,0,0,0|0,0,0]=2 400 B8R1.2 c1ccc(cc1)CO BC222892 [1,1,0,0,0,0|0,0,0]=2 401 B8R1.2 c1ccc(cc1)N=O BC684726 [1,1,0,0,0,0|0,0,1]=3 402 B8R1.2 c1ccc(cc1)[Mg]Br BC653680 [1,1,0,0,0,0|1,0,0]=3 403 B8R1.2 c1ccnc(c1)CCl BC213218 [1,1,0,0,0,0|1,0,0]=3 404 B8R1.2 c1ccnc(c1)CCl BC227992 [1,1,0,0,0,0|1,0,0]=3 405 B8R1.2 c1cnc(nc1)CCl BC212037 [1,1,0,0,0,0|2,0,0]=4 406 B8R1.2 c1cnc(nc1)CN BC671460 [1,1,0,0,0,0|2,0,0]=4 407 B8R1.2 c1cncnc1CO BC228082 [1,1,0,0,0,0|2,0,0]=4 408 B8R1.3 C1=CC(=O)C=CC1=O BC250046 [1,1,0,0,0,0|0,0,1]=3 409 B8R1.3 Cc1cc[n+](cc1)[O-] BC222437 [1,1,0,0,0,0|1,0,0]=3 410 B8R1.3 Cc1ccc(cc1)I BC208320 [1,1,0,0,0,0|0,0,0]=2 411 B8R1.3 Cc1ccc(cn1)Br BC200848 [1,1,0,0,0,0|1,0,0]=3 412 B8R1.3 Cc1ccc(cn1)F BC219187 [1,1,0,0,0,0|1,0,0]=3 413 B8R1.3 Cc1ccc(cn1)I BC228957 [1,1,0,0,0,0|1,0,0]=3 414 B8R1.3 Cc1ccc(cn1)N BC202216 [1,1,0,0,0,0|1,0,0]=3 415 B8R1.3 Cc1ccc(cn1)O BC213724 [1,1,0,0,0,0|1,0,0]=3 416 B8R1.3 Cc1ccc(nc1)C BC220412 [1,1,0,0,0,0|1,0,0]=3 417 B8R1.3 Cc1ccc(nc1)Cl BC201252 [1,1,0,0,0,0|1,0,0]=3 418 B8R1.3 Cc1ccc(nc1)F BC219184 [1,1,0,0,0,0|1,0,0]=3 419 B8R1.3 Cc1ccc(nc1)N BC203509 [1,1,0,0,0,0|1,0,0]=3 420 B8R1.3 Cc1cnc(cn1)C BC651592 [1,1,0,0,0,0|2,0,0]=4 421 B8R1.3 Cc1cnc(nc1)Cl BC221851 [1,1,0,0,0,0|2,0,0]=4 422 B8R1.3 Cc1ncc(cn1)N BC228078 [1,1,0,0,0,0|2,0,0]=4 423 B8R1.3 c1c(cnc(n1)Cl)O BC653325 [1,1,0,0,0,0|2,0,0]=4 424 B8R1.3 c1c(cnc(n1)N)O BC228066 [1,1,0,0,0,0|2,0,0]=4 425 B8R1.3 c1c(cnc(n1)O)Br BC209314 [1,1,0,0,0,0|2,0,0]=4 426 B8R1.3 c1c(cnc(n1)O)Cl BC674915 [1,1,0,0,0,0|2,0,0]=4 427 B8R1.3 c1c(ncc(n1)Br)O BC679855 [1,1,0,0,0,0|2,0,0]=4 428 B8R1.3 c1c(ncc(n1)Cl)O BC679835 [1,1,0,0,0,0|2,0,0]=4 429 B8R1.3 c1cc(ccc1Br)I BC206965 [1,1,0,0,0,0|1,0,0]=3 430 B8R1.3 c1cc(ccc1Cl)Br BC207086 [1,1,0,0,0,0|1,0,0]=3 431 B8R1.3 c1cc(ccc1Cl)I BC675841 [1,1,0,0,0,0|1,0,0]=3 432 B8R1.3 c1cc(ccc1N)Br BC204243 [1,1,0,0,0,0|1,0,0]=3 433 B8R1.3 c1cc(ccc1N)F BC226190 [1,1,0,0,0,0|1,0,0]=3 434 B8R1.3 c1cc(ccc1N)O BC227837 [1,1,0,0,0,0|0,0,0]=2 435 B8R1.3 c1cc(ccc1N)S BC676770 [1,1,0,0,0,0|0,1,0]=3 436 B8R1.3 c1cc(ccc1O)Br BC228016 [1,1,0,0,0,0|0,0,0]=2 437 B8R1.3 c1cc(ccc1O)I BC226747 [1,1,0,0,0,0|0,0,0]=2 438 B8R1.3 c1cc(ccc1O)O BC207641 [1,1,0,0,0,0|0,0,0]=2 439 B8R1.3 c1cc(ncc1Br)F BC211679 [1,1,0,0,0,0|2,0,0]=4 440 B8R1.3 c1cc(ncc1Br)N BC202223 [1,1,0,0,0,0|2,0,0]=4 441 B8R1.3 c1cc(ncc1Br)O BC219149 [1,1,0,0,0,0|1,0,0]=3 442 B8R1.3 c1cc(ncc1Cl)Br BC202228 [1,1,0,0,0,0|2,0,0]=4 443 B8R1.3 c1cc(ncc1Cl)Cl BC210322 [1,1,0,0,0,0|2,0,0]=4 444 B8R1.3 c1cc(ncc1Cl)F BC201381 [1,1,0,0,0,0|2,0,0]=4 445 B8R1.3 c1cc(ncc1Cl)I BC226646 [1,1,0,0,0,0|2,0,0]=4 446 B8R1.3 c1cc(ncc1F)Cl BC208051 [1,1,0,0,0,0|2,0,0]=4 447 B8R1.3 c1cc(ncc1F)N BC204792 [1,1,0,0,0,0|2,0,0]=4 448 B8R1.3 c1cc(ncc1F)O BC219174 [1,1,0,0,0,0|1,0,0]=3 449 B8R1.3 c1cc(ncc1I)Br BC219151 [1,1,0,0,0,0|2,0,0]=4 450 B8R1.3 c1cc(ncc1I)O BC228859 [1,1,0,0,0,0|1,0,0]=3 451 B8R1.3 c1cc(ncc1N)Br BC213741 [1,1,0,0,0,0|2,0,0]=4 452 B8R1.3 c1cc(ncc1N)Cl BC203573 [1,1,0,0,0,0|2,0,0]=4 453 B8R1.3 c1cc(ncc1N)O BC653280 [1,1,0,0,0,0|1,0,0]=3 454 B8R1.3 c1cc(ncc1O)Br BC208384 [1,1,0,0,0,0|1,0,0]=3 455 B8R1.3 c1cc(ncc1O)Cl BC208468 [1,1,0,0,0,0|1,0,0]=3 456 B8R1.3 c1cc(ncc1O)F BC221861 [1,1,0,0,0,0|1,0,0]=3 457 B8R1.3 c1cc(ncc1O)I BC200349 [1,1,0,0,0,0|1,0,0]=3 458 B8R1.3 c1cc(ncc1O)N BC226650 [1,1,0,0,0,0|1,0,0]=3 459 B8R1.3 c1cc(nnc1O)O BC225807 [1,1,0,0,0,0|2,0,0]=4 460 B8R1.5 Cc1c(cccn1)Br BC225550 [1,1,0,0,0,0|1,0,0]=3 461 B8R1.5 Cc1c(cccn1)Cl BC656264 [1,1,0,0,0,0|1,0,0]=3 462 B8R1.5 Cc1c(cccn1)F BC677139 [1,1,0,0,0,0|1,0,0]=3 463 B8R1.5 Cc1c(cccn1)N BC219118 [1,1,0,0,0,0|1,0,0]=3 464 B8R1.5 Cc1c(cccn1)O BC225229 [1,1,0,0,0,0|1,0,0]=3 465 B8R1.5 Cc1c(cncn1)N BC202066 [1,1,0,0,0,0|2,0,0]=4 466 B8R1.5 Cc1c(nccn1)Cl BC686305 [1,1,0,0,0,0|2,0,0]=4 467 B8R1.5 Cc1cccc[n+]1[O-] BC213117 [1,1,0,0,0,0|1,0,0]=3 468 B8R1.5 Cc1cccnc1Br BC227989 [1,1,0,0,0,0|1,0,0]=3 469 B8R1.5 Cc1cccnc1N BC225899 [1,1,0,0,0,0|1,0,0]=3 470 B8R1.5 Cc1cccnc1O BC225228 [1,1,0,0,0,0|1,0,0]=3 471 B8R1.5 Cc1ccncc1C BC667797 [1,1,0,0,0,0|1,0,0]=3 472 B8R1.5 Cc1ccncc1F BC219203 [1,1,0,0,0,0|1,0,0]=3 473 B8R1.5 Cc1ccncc1N BC207827 [1,1,0,0,0,0|1,0,0]=3 474 B8R1.5 Cc1ccncc1O BC656328 [1,1,0,0,0,0|1,0,0]=3 475 B8R1.5 Cc1cnccc1Br BC201979 [1,1,0,0,0,0|1,0,0]=3 476 B8R1.5 Cc1cnccc1Br BC219154 [1,1,0,0,0,0|1,0,0]=3 477 B8R1.5 Cc1cnccc1Cl BC219170 [1,1,0,0,0,0|1,0,0]=3 478 B8R1.5 Cn1cccnc1=O BC224691 [1,1,0,0,0,0|2,0,0]=4 479 B8R1.5 c1c(c(=O)nc[nH]1)O BC655988 [1,1,0,0,0,0|2,0,0]=4 480 B8R1.5 c1cc(c(nc1)Br)F BC227112 [1,1,0,0,0,0|2,0,0]=4 481 B8R1.5 c1cc(c(nc1)Br)N BC207481 [1,1,0,0,0,0|2,0,0]=4 482 B8R1.5 c1cc(c(nc1)Br)O BC206638 [1,1,0,0,0,0|1,0,0]=3 483 B8R1.5 c1cc(c(nc1)Cl)Br BC210233 [1,1,0,0,0,0|2,0,0]=4 484 B8R1.5 c1cc(c(nc1)Cl)Cl BC210321 [1,1,0,0,0,0|2,0,0]=4 485 B8R1.5 c1cc(c(nc1)Cl)I BC207966 [1,1,0,0,0,0|2,0,0]=4 486 B8R1.5 c1cc(c(nc1)Cl)N BC226077 [1,1,0,0,0,0|2,0,0]=4 487 B8R1.5 c1cc(c(nc1)Cl)O BC206637 [1,1,0,0,0,0|1,0,0]=3 488 B8R1.5 c1cc(c(nc1)F)Br BC219145 [1,1,0,0,0,0|2,0,0]=4 489 B8R1.5 c1cc(c(nc1)F)Cl BC214599 [1,1,0,0,0,0|2,0,0]=4 490 B8R1.5 c1cc(c(nc1)F)F BC211682 [1,1,0,0,0,0|2,0,0]=4 491 B8R1.5 c1cc(c(nc1)F)I BC213726 [1,1,0,0,0,0|2,0,0]=4 492 B8R1.5 c1cc(c(nc1)F)N BC219109 [1,1,0,0,0,0|2,0,0]=4 493 B8R1.5 c1cc(c(nc1)F)O BC677131 [1,1,0,0,0,0|1,0,0]=3 494 B8R1.5 c1cc(c(nc1)I)O BC206480 [1,1,0,0,0,0|1,0,0]=3 495 B8R1.5 c1cc(c(nc1)N)Br BC202222 [1,1,0,0,0,0|2,0,0]=4 496 B8R1.5 c1cc(c(nc1)N)Cl BC205827 [1,1,0,0,0,0|2,0,0]=4 497 B8R1.5 c1cc(c(nc1)N)F BC227098 [1,1,0,0,0,0|2,0,0]=4 498 B8R1.5 c1cc(c(nc1)N)I BC219764 [1,1,0,0,0,0|2,0,0]=4 499 B8R1.5 c1cc(c(nc1)N)N BC227150 [1,1,0,0,0,0|2,0,0]=4 500 B8R1.5 c1cc(c(nc1)N)O BC227987 [1,1,0,0,0,0|1,0,0]=3 501 B8R1.5 c1cc(c(nc1)O)F BC202279 [1,1,0,0,0,0|1,0,0]=3 502 B8R1.5 c1cc(c(nc1)O)N BC202198 [1,1,0,0,0,0|1,0,0]=3 503 B8R1.5 c1cc(c(nc1)O)O BC209278 [1,1,0,0,0,0|1,0,0]=3 504 B8R1.5 c1cc[n+](c(c1)Cl)[O-] BC213191 [1,1,0,0,0,0|1,0,1]=4 505 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC206730 [1,1,0,0,0,0|1,0,1]=4 506 B8R1.5 c1cc[n+](c(c1)[S-])[O-] BC207991 [1,1,0,0,0,0|1,0,1]=4 507 B8R1.5 c1ccc(c(c1)N)Br BC677892 [1,1,0,0,0,0|1,0,0]=3 508 B8R1.5 c1ccc(c(c1)N)I BC213646 [1,1,0,0,0,0|1,0,0]=3 509 B8R1.5 c1ccc(c(c1)N)S BC250051 [1,1,0,0,0,0|0,1,0]=3 510 B8R1.5 c1ccc(c(c1)O)I BC213644 [1,1,0,0,0,0|0,0,0]=2 511 B8R1.5 c1ccc(c(c1)O)O BC205707 [1,1,0,0,0,0|0,0,0]=2 512 B8R1.5 c1cncc(c1Br)Cl BC219129 [1,1,0,0,0,0|2,0,0]=4 513 B8R1.5 c1cncc(c1Br)F BC219146 [1,1,0,0,0,0|2,0,0]=4 514 B8R1.5 c1cncc(c1Br)N BC228928 [1,1,0,0,0,0|2,0,0]=4 515 B8R1.5 c1cncc(c1Br)O BC228930 [1,1,0,0,0,0|1,0,0]=3 516 B8R1.5 c1cncc(c1Cl)Br BC219128 [1,1,0,0,0,0|2,0,0]=4 517 B8R1.5 c1cncc(c1Cl)F BC219166 [1,1,0,0,0,0|2,0,0]=4 518 B8R1.5 c1cncc(c1Cl)N BC205922 [1,1,0,0,0,0|2,0,0]=4 519 B8R1.5 c1cncc(c1F)Br BC227113 [1,1,0,0,0,0|2,0,0]=4 520 B8R1.5 c1cncc(c1F)Cl BC226640 [1,1,0,0,0,0|2,0,0]=4 521 B8R1.5 c1cncc(c1F)F BC227745 [1,1,0,0,0,0|2,0,0]=4 522 B8R1.5 c1cncc(c1I)O BC212690 [1,1,0,0,0,0|1,0,0]=3 523 B8R1.5 c1cncc(c1N)Br BC652374 [1,1,0,0,0,0|2,0,0]=4 524 B8R1.5 c1cncc(c1N)Cl BC202197 [1,1,0,0,0,0|2,0,0]=4 525 B8R1.5 c1cncc(c1N)F BC219110 [1,1,0,0,0,0|2,0,0]=4 526 B8R1.5 c1cncc(c1N)N BC222447 [1,1,0,0,0,0|2,0,0]=4 527 B8R1.5 c1cncc(c1N)O BC228924 [1,1,0,0,0,0|1,0,0]=3 528 B8R1.5 c1cncc(c1O)N BC201447 [1,1,0,0,0,0|1,0,0]=3 529 B8R1.5 c1cncc(c1O)O BC678752 [1,1,0,0,0,0|1,0,0]=3 530 B8R1.1 Cc1cc(sc1)C=O BC645199 [0,1,0,0,1,0|1,0,1]=4 531 B8R1.1 Cn1cc(cn1)CO BC683656 [0,1,0,0,1,0|2,0,0]=4 532 B8R1.1 Cn1ccc(n1)CO BC262388 [0,1,0,0,1,0|2,0,0]=4 533 B8R1.11 Cc1c([nH]cn1)CO BC216404 [0,1,0,0,1,0|2,0,0]=4 534 B8R1.11 Cc1c(nc[nH]1)CO BC213275 [0,1,0,0,1,0|2,0,0]=4 535 B8R1.11 Cn1c(ccn1)CO BC683092 [0,1,0,0,1,0|2,0,0]=4 536 B8R1.11 Cn1cccc1C=O BC675646 [0,1,0,0,1,0|1,0,1]=4 537 B10R1.2 CCc1c(c(=O)cco1)O BC201058 [0,2,0,0,0,0|1,0,1]=4 538 B10R1.2 COc1cccc(c1Br)Br BC226679 [0,2,0,0,0,0|1,0,0]=3 539 B10R1.2 COc1cccc(c1Cl)N BC677902 [0,2,0,0,0,0|1,0,0]=3 540 B10R1.2 COc1cccc(c1F)N BC686414 [0,2,0,0,0,0|1,0,0]=3 541 B10R1.2 Cc1c(cccc1OC)N BC203317 [0,2,0,0,0,0|1,0,0]=3 542 B10R1.2 Cc1cccc(c1F)C=O BC201155 [0,2,0,0,0,0|0,0,1]=3 543 B10R1.2 Cc1cccc(c1N)OC BC676810 [0,2,0,0,0,0|0,0,0]=2 544 B10R1.2 c1cc(c(c(c1)Br)O)C=O BC651712 [0,2,0,0,0,0|1,0,1]=4 545 B10R1.2 c1cc(c(c(c1)Cl)Cl)C=O BC201116 [0,2,0,0,0,0|1,0,1]=4 546 B10R1.2 c1cc(c(c(c1)Cl)F)CBr BC201400 [0,2,0,0,0,0|1,0,0]=3 547 B10R1.2 c1cc(c(c(c1)Cl)N)C#N BC227666 [0,2,0,0,0,0|1,0,1]=4 548 B10R1.2 c1cc(c(c(c1)F)Br)CBr BC250315 [0,2,0,0,0,0|1,0,0]=3 549 B10R1.2 c1cc(c(c(c1)F)Br)CO BC250320 [0,2,0,0,0,0|1,0,0]=3 550 B10R1.2 c1cc(c(c(c1)F)Cl)C=O BC675904 [0,2,0,0,0,0|1,0,1]=4 551 B10R1.2 c1cc(c(c(c1)F)Cl)CBr BC679754 [0,2,0,0,0,0|1,0,0]=3 552 B10R1.2 c1cc(c(c(c1)F)F)CBr BC205479 [0,2,0,0,0,0|1,0,0]=3 553 B10R1.2 c1cc(c(c(c1)F)O)C=O BC215402 [0,2,0,0,0,0|1,0,1]=4 554 B10R1.2 c1cc(c(c(c1)O)O)C#N BC211982 [0,2,0,0,0,0|0,0,1]=3 555 B10R1.2 c1cc(c(c(c1)O)O)C=O BC213342 [0,2,0,0,0,0|0,0,1]=3 556 B10R1.8 COc1cc(cc(c1)Br)F BC686438 [0,2,0,0,0,0|1,0,0]=3 557 B10R1.8 COc1cc(cc(c1)F)F BC207195 [0,2,0,0,0,0|1,0,0]=3 558 B10R1.8 COc1cc(nc(n1)O)O BC677796 [0,2,0,0,0,0|2,0,0]=4 559 B10R1.8 CSc1nc(cc(n1)O)O BC203884 [0,2,0,0,0,0|2,0,0]=4 560 B10R1.8 Cc1cc(cc(c1)Br)C=O BC658842 [0,2,0,0,0,0|0,0,1]=3 561 B10R1.8 Cc1cc(cc(c1)C=O)C BC219818 [0,2,0,0,0,0|0,0,1]=3 562 B10R1.8 Cc1cc(cc(c1)NN)C BC221824 [0,2,0,0,0,0|1,0,0]=3 563 B10R1.8 c1c(cc(cc1Cl)Br)C#N BC215241 [0,2,0,0,0,0|1,0,1]=4 564 B10R1.8 c1c(cc(cc1Cl)Cl)C#N BC203428 [0,2,0,0,0,0|1,0,1]=4 565 B10R1.8 c1c(cc(cc1Cl)Cl)CO BC676421 [0,2,0,0,0,0|1,0,0]=3 566 B10R1.8 c1c(cc(cc1F)Br)CO BC676416 [0,2,0,0,0,0|1,0,0]=3 567 B10R1.8 c1c(cc(cc1F)Cl)C=O BC227700 [0,2,0,0,0,0|1,0,1]=4 568 B10R1.8 c1c(cc(cc1F)F)C#N BC207104 [0,2,0,0,0,0|1,0,1]=4 569 B10R1.8 c1c(cc(cc1F)I)C#N BC227649 [0,2,0,0,0,0|1,0,1]=4 570 B10R1.8 c1c(cc(cc1F)I)C=O BC676091 [0,2,0,0,0,0|1,0,1]=4 571 B10R1.8 c1c(cc(cc1N)Cl)CO BC653951 [0,2,0,0,0,0|1,0,0]=3 572 B10R1.8 c1c(cc(cc1N)F)C#N BC226670 [0,2,0,0,0,0|1,0,1]=4 573 B10R1.8 c1c(cc(cc1O)O)C=O BC201352 [0,2,0,0,0,0|0,0,1]=3 574 B10R1.10 CCCc1cccc(c1)N BC679945 [0,2,0,0,0,0|1,0,0]=3 575 B10R1.10 CCOc1cc(cnc1)Br BC652457 [0,2,0,0,0,0|2,0,0]=4 576 B10R1.10 CCOc1cc(cnc1)N BC680839 [0,2,0,0,0,0|2,0,0]=4 577 B10R1.10 CCOc1ccnc(c1)N BC202201 [0,2,0,0,0,0|2,0,0]=4 578 B10R1.10 CNCc1cccc(c1)Br BC653644 [0,2,0,0,0,0|1,0,0]=3 579 B10R1.10 c1cc(cc(c1)Br)CC#N BC203406 [0,2,0,0,0,0|1,0,0]=3 580 B10R1.10 c1cc(cc(c1)Br)CCO BC645716 [0,2,0,0,0,0|1,0,0]=3 581 B10R1.10 c1cc(cc(c1)O)CCN BC600077 [0,2,0,0,0,0|0,0,0]=2 582 B10R1.10 c1cc(cc(c1)O)\C=C\Br BC600241 [0,2,0,0,0,0|0,0,1]=3 583 B10R1.30 C=Cc1cc(ccc1F)F BC227583 [0,2,0,0,0,0|1,0,1]=4 584 B10R1.30 CCc1c(ccc(n1)C)O BC227743 [0,2,0,0,0,0|2,0,0]=4 585 B10R1.30 CCc1cc(ccc1Cl)O BC225279 [0,2,0,0,0,0|0,0,0]=2 586 B10R1.30 CCc1cc(ccc1I)O BC600019 [0,2,0,0,0,0|0,0,0]=2 587 B10R1.30 COc1cc(ccc1Br)Cl BC689392 [0,2,0,0,0,0|1,0,0]=3 588 B10R1.30 COc1cc(ccc1F)N BC220812 [0,2,0,0,0,0|1,0,0]=3 589 B10R1.30 COc1cc(ccc1I)N BC686423 [0,2,0,0,0,0|1,0,0]=3 590 B10R1.30 COc1cc(ccc1N)Br BC214512 [0,2,0,0,0,0|1,0,0]=3 591 B10R1.30 COc1cc(ccc1O)O BC222291 [0,2,0,0,0,0|0,0,0]=2 592 B10R1.30 Cc1cc(c(nc1)N)C#N BC228703 [0,2,0,0,0,0|2,0,0]=4 593 B10R1.30 Cc1ccc(c(n1)C#N)Br BC678366 [0,2,0,0,0,0|2,0,0]=4 594 B10R1.30 Cc1ccc(c(n1)OC)F BC219176 [0,2,0,0,0,0|1,0,0]=3 595 B10R1.30 Cc1ccc(c(n1)OC)N BC219112 [0,2,0,0,0,0|1,0,0]=3 596 B10R1.30 Cc1ccc(cc1C=O)Br BC652501 [0,2,0,0,0,0|1,0,1]=4 597 B10R1.30 Cc1ccc(cc1NN)Br BC225138 [0,2,0,0,0,0|2,0,0]=4 598 B10R1.30 c1cc(c(cc1Br)C#N)Cl BC676389 [0,2,0,0,0,0|1,0,1]=4 599 B10R1.30 c1cc(c(cc1Br)C#N)N BC209648 [0,2,0,0,0,0|1,0,1]=4 600 B10R1.30 c1cc(c(cc1Br)C#N)O BC227674 [0,2,0,0,0,0|1,0,1]=4 601 B10R1.30 c1cc(c(cc1Br)C=O)Cl BC679792 [0,2,0,0,0,0|1,0,1]=4 602 B10R1.30 c1cc(c(cc1Br)C=O)F BC207196 [0,2,0,0,0,0|1,0,1]=4 603 B10R1.30 c1cc(c(cc1Br)CBr)F BC679762 [0,2,0,0,0,0|1,0,0]=3 604 B10R1.30 c1cc(c(cc1Br)CO)F BC226996 [0,2,0,0,0,0|1,0,0]=3 605 B10R1.30 c1cc(c(cc1Cl)C#N)Br BC679473 [0,2,0,0,0,0|1,0,1]=4 606 B10R1.30 c1cc(c(cc1Cl)C=O)N BC676094 [0,2,0,0,0,0|1,0,1]=4 607 B10R1.30 c1cc(c(cc1Cl)CN)F BC211118 [0,2,0,0,0,0|1,0,0]=3 608 B10R1.30 c1cc(c(cc1F)C=O)Cl BC211666 [0,2,0,0,0,0|1,0,1]=4 609 B10R1.30 c1cc(c(cc1F)C=O)I BC676078 [0,2,0,0,0,0|1,0,1]=4 610 B10R1.30 c1cc(c(cc1F)C=O)O BC215404 [0,2,0,0,0,0|1,0,1]=4 611 B10R1.30 c1cc(c(cc1F)CBr)F BC210966 [0,2,0,0,0,0|1,0,0]=3 612 B10R1.30 c1cc(c(cc1I)CBr)Cl BC212208 [0,2,0,0,0,0|1,0,0]=3 613 B10R1.30 c1cc(c(cc1I)CCl)Cl BC662638 [0,2,0,0,0,0|1,0,0]=3 614 B10R1.30 c1cc(c(cc1I)CO)Cl BC600271 [0,2,0,0,0,0|1,0,0]=3 615 B10R1.30 c1cc(c(cc1N)C#N)F BC202318 [0,2,0,0,0,0|1,0,1]=4 616 B10R1.30 c1cc(c(cc1N)C#N)N BC600193 [0,2,0,0,0,0|1,0,1]=4 617 B10R1.30 c1cc(c(cc1O)C=O)Br BC226695 [0,2,0,0,0,0|0,0,1]=3 618 B10R1.30 c1cc(c(cc1O)C=O)F BC227713 [0,2,0,0,0,0|0,0,1]=3 619 B10R1.113 B(c1cc(cnc1)Br)(O)O BC200363 [0,2,0,0,0,0|2,0,0]=4 620 B10R1.113 B(c1cc(cnc1)C)(O)O BC210681 [0,2,0,0,0,0|1,0,0]=3 621 B10R1.113 B(c1cc(cnc1)Cl)(O)O BC226855 [0,2,0,0,0,0|2,0,0]=4 622 B10R1.113 B(c1cc(cnc1)F)(O)O BC659551 [0,2,0,0,0,0|2,0,0]=4 623 B10R1.113 B(c1cccc(c1)C)(O)O BC219834 [0,2,0,0,0,0|0,0,0]=2 624 B10R1.113 B(c1cccc(c1)Cl)(O)O BC205354 [0,2,0,0,0,0|1,0,0]=3 625 B10R1.113 B(c1cccc(n1)C)(O)O BC225235 [0,2,0,0,0,0|1,0,0]=3 626 B10R1.113 B(c1cccc(n1)Cl)(O)O BC656274 [0,2,0,0,0,0|2,0,0]=4 627 B10R1.113 B(c1ccnc(c1)C)(O)O BC677119 [0,2,0,0,0,0|1,0,0]=3 628 B10R1.113 B(c1ccnc(c1)Cl)(O)O BC652193 [0,2,0,0,0,0|2,0,0]=4 629 B10R1.113 B(c1ccnc(c1)F)(O)O BC226848 [0,2,0,0,0,0|2,0,0]=4 630 B10R1.113 B(c1ccnc(c1)N)(O)O BC659589 [0,2,0,0,0,0|2,0,0]=4 631 B10R1.113 CC(=O)c1cc(cnc1)Br BC200353 [0,2,0,0,0,0|2,0,0]=4 632 B10R1.113 CC(=O)c1cccc(c1)Br BC217580 [0,2,0,0,0,0|1,0,0]=3 633 B10R1.113 CC(=O)c1cccc(n1)Br BC225218 [0,2,0,0,0,0|2,0,0]=4 634 B10R1.113 CC(C)c1cccc(c1)N BC202334 [0,2,0,0,0,0|1,0,0]=3 635 B10R1.113 CC(C)c1cccc(n1)Cl BC222331 [0,2,0,0,0,0|2,0,0]=4 636 B10R1.113 C[n+]1cccc(c1)C(=O)N BC229164 [0,2,0,0,0,0|1,0,1]=4 637 B10R1.113 Cc1cc(ccn1)N(=O)=O BC201961 [0,2,0,0,0,0|1,0,1]=4 638 B10R1.113 Cc1cc(cnc1)C(=O)O BC212576 [0,2,0,0,0,0|1,0,0]=3 639 B10R1.113 Cc1cccc(n1)C(=O)O BC210679 [0,2,0,0,0,0|1,0,0]=3 640 B10R1.113 Cc1cccc(n1)[N+](=O)[O-] BC681540 [0,2,0,0,0,0|1,0,1]=4 641 B10R1.113 Cc1ccnc(c1)C(=O)C BC217946 [0,2,0,0,0,0|1,0,1]=4 642 B10R1.113 Cc1nccc(n1)C(=O)O BC684779 [0,2,0,0,0,0|2,0,0]=4 643 B10R1.113 c1c(cncc1Br)C(=O)O BC213725 [0,2,0,0,0,0|2,0,0]=4 644 B10R1.113 c1c(cncc1F)C(=O)O BC228161 [0,2,0,0,0,0|2,0,0]=4 645 B10R1.113 c1c(cncc1N)C(=O)O BC207804 [0,2,0,0,0,0|2,0,0]=4 646 B10R1.113 c1c(cncc1O)C(=O)O BC206883 [0,2,0,0,0,0|1,0,1]=4 647 B10R1.113 c1cc(cc(c1)Br)[N+](=O)[O-] BC228014 [0,2,0,0,0,0|1,0,1]=4 648 B10R1.113 c1cc(cc(c1)Cl)C(=O)O BC225403 [0,2,0,0,0,0|1,0,0]=3 649 B10R1.113 c1cc(cc(c1)O)C(=O)O BC676293 [0,2,0,0,0,0|0,0,1]=3 650 B10R1.113 c1cc(nc(c1)Br)C(=O)O BC207990 [0,2,0,0,0,0|2,0,0]=4 651 B10R1.113 c1cc(nc(c1)Cl)C(=O)O BC213732 [0,2,0,0,0,0|2,0,0]=4 652 B10R1.113 c1cc(nc(c1)N)C(=O)O BC220442 [0,2,0,0,0,0|2,0,0]=4 653 B10R1.113 c1cnc(cc1Br)C(=O)O BC208210 [0,2,0,0,0,0|2,0,0]=4 654 B10R1.113 c1cnc(cc1C(=O)O)Br BC207062 [0,2,0,0,0,0|2,0,0]=4 655 B10R1.113 c1cnc(cc1C(=O)O)Cl BC209274 [0,2,0,0,0,0|2,0,0]=4 656 B10R1.113 c1cnc(cc1C(=O)O)N BC220337 [0,2,0,0,0,0|2,0,0]=4 657 B10R1.113 c1cnc(cc1Cl)C(=O)O BC202385 [0,2,0,0,0,0|2,0,0]=4 658 B10R1.113 c1cnc(cc1N)C(=O)O BC651732 [0,2,0,0,0,0|2,0,0]=4 659 B10R1.172 CCc1cccc(c1)C#N BC676392 [0,2,0,0,0,0|1,0,0]=3 660 B10R1.172 COc1cc(ccn1)C=O BC674863 [0,2,0,0,0,0|1,0,1]=4 661 B10R1.172 COc1cccc(c1)C#N BC210472 [0,2,0,0,0,0|0,0,1]=3 662 B10R1.172 COc1cccc(c1)C=O BC676525 [0,2,0,0,0,0|0,0,1]=3 663 B10R1.172 COc1cccc(c1)CBr BC201397 [0,2,0,0,0,0|0,0,0]=2 664 B10R1.172 COc1cccc(n1)C=O BC683305 [0,2,0,0,0,0|1,0,1]=4 665 B10R1.172 c1cc(cc(c1)C#N)C=O BC206261 [0,2,0,0,0,0|0,0,2]=4 666 B10R1.172 c1cc(cc(c1)C#N)CBr BC206262 [0,2,0,0,0,0|1,0,0]=3 667 B10R1.172 c1cc(cc(c1)NN)C#N BC675224 [0,2,0,0,0,0|1,0,1]=4 668 B10R1.172 c1cc(nc(c1)CO)CO BC213219 [0,2,0,0,0,0|1,0,0]=3 669 B10R1.172 c1cnc(cc1C=O)CN BC207462 [0,2,0,0,0,0|1,0,1]=4 670 B10R1.172 c1cnc(cc1CO)C#N BC207463 [0,2,0,0,0,0|1,0,1]=4 671 B10R1.176 CCc1ccc(c(c1)N)N BC256282 [0,2,0,0,0,0|1,0,0]=3 672 B10R1.176 COc1ccc(c(c1)Br)Br BC676631 [0,2,0,0,0,0|1,0,0]=3 673 B10R1.176 COc1ccc(c(c1)Br)N BC686358 [0,2,0,0,0,0|1,0,0]=3 674 B10R1.176 COc1ccc(c(c1)F)O BC255276 [0,2,0,0,0,0|1,0,0]=3 675 B10R1.176 COc1ccc(c(c1)I)N BC222720 [0,2,0,0,0,0|1,0,0]=3 676 B10R1.176 COc1ccc(c(c1)N)Cl BC250953 [0,2,0,0,0,0|1,0,0]=3 677 B10R1.176 COc1ccc(c(c1)N)F BC686415 [0,2,0,0,0,0|1,0,0]=3 678 B10R1.176 COc1ccc(c(c1)N)I BC668045 [0,2,0,0,0,0|1,0,0]=3 679 B10R1.176 COc1ccc(c(c1)N)I BC686420 [0,2,0,0,0,0|1,0,0]=3 680 B10R1.176 COc1ccc(c(c1)O)Br BC210248 [0,2,0,0,0,0|0,0,0]=2 681 B10R1.176 Cc1c(ccc(n1)OC)Br BC219153 [0,2,0,0,0,0|1,0,0]=3 682 B10R1.176 Cc1c(ccc(n1)OC)F BC219177 [0,2,0,0,0,0|1,0,0]=3 683 B10R1.176 Cc1cc(ccc1Br)C#N BC676368 [0,2,0,0,0,0|1,0,0]=3 684 B10R1.176 Cc1cc(ccc1Cl)C#N BC676393 [0,2,0,0,0,0|1,0,0]=3 685 B10R1.176 Cc1cc(ccc1F)C#N BC219245 [0,2,0,0,0,0|1,0,0]=3 686 B10R1.176 Cc1cc(ccc1F)CN BC676428 [0,2,0,0,0,0|1,0,0]=3 687 B10R1.176 Cc1cc(ccc1O)C=O BC204612 [0,2,0,0,0,0|0,0,1]=3 688 B10R1.176 Cc1cc(cnc1Br)C#N BC227058 [0,2,0,0,0,0|2,0,0]=4 689 B10R1.176 Cc1cc(cnc1F)C#N BC222398 [0,2,0,0,0,0|2,0,0]=4 690 B10R1.176 Cc1ccc(cc1C)CCl BC215413 [0,2,0,0,0,0|1,0,0]=3 691 B10R1.176 Cc1ccc(cc1Cl)C#N BC646050 [0,2,0,0,0,0|1,0,1]=4 692 B10R1.176 Cc1ccc(cc1Cl)CN BC227375 [0,2,0,0,0,0|1,0,0]=3 693 B10R1.176 Cc1ccc(cc1I)C=O BC218138 [0,2,0,0,0,0|1,0,1]=4 694 B10R1.176 Cc1ccc(cc1N)C#N BC226706 [0,2,0,0,0,0|1,0,1]=4 695 B10R1.176 c1cc(c(cc1C#N)Br)Cl BC200292 [0,2,0,0,0,0|1,0,1]=4 696 B10R1.176 c1cc(c(cc1C#N)Br)N BC211035 [0,2,0,0,0,0|1,0,1]=4 697 B10R1.176 c1cc(c(cc1C#N)Cl)F BC207202 [0,2,0,0,0,0|1,0,1]=4 698 B10R1.176 c1cc(c(cc1C#N)F)Br BC686473 [0,2,0,0,0,0|1,0,1]=4 699 B10R1.176 c1cc(c(cc1C#N)F)F BC207103 [0,2,0,0,0,0|1,0,1]=4 700 B10R1.176 c1cc(c(cc1C#N)F)N BC211037 [0,2,0,0,0,0|1,0,1]=4 701 B10R1.176 c1cc(c(cc1C#N)F)O BC226681 [0,2,0,0,0,0|1,0,1]=4 702 B10R1.176 c1cc(c(cc1C#N)N)F BC211039 [0,2,0,0,0,0|1,0,1]=4 703 B10R1.176 c1cc(c(cc1C#N)N)N BC676386 [0,2,0,0,0,0|1,0,1]=4 704 B10R1.176 c1cc(c(cc1C#N)O)O BC220357 [0,2,0,0,0,0|0,0,1]=3 705 B10R1.176 c1cc(c(cc1C=O)Br)Cl BC228158 [0,2,0,0,0,0|1,0,1]=4 706 B10R1.176 c1cc(c(cc1C=O)Br)O BC205837 [0,2,0,0,0,0|1,0,1]=4 707 B10R1.176 c1cc(c(cc1C=O)Cl)Cl BC204289 [0,2,0,0,0,0|1,0,1]=4 708 B10R1.176 c1cc(c(cc1C=O)F)Br BC227697 [0,2,0,0,0,0|1,0,1]=4 709 B10R1.176 c1cc(c(cc1C=O)F)Cl BC206745 [0,2,0,0,0,0|1,0,1]=4 710 B10R1.176 c1cc(c(cc1C=O)F)F BC227722 [0,2,0,0,0,0|1,0,1]=4 711 B10R1.176 c1cc(c(cc1CCl)F)Cl BC210962 [0,2,0,0,0,0|1,0,0]=3 712 B10R1.176 c1cc(c(cc1CN)Cl)F BC211116 [0,2,0,0,0,0|1,0,0]=3 713 B10R1.22 Cc1cc(c(c(c1)Br)F)C BC227402 [0,2,0,0,0,0|1,0,0]=3 714 B10R1.22 Cc1cc(c(c(c1)C)Br)C BC205357 [0,2,0,0,0,0|1,0,0]=3 715 B10R1.22 Cc1cc(c(c(c1)C)N)C BC200500 [0,2,0,0,0,0|1,0,0]=3 716 B10R1.22 Cc1cc(c(c(c1)O)C)C BC201110 [0,2,0,0,0,0|0,0,0]=2 717 B10R1.22 Cc1cc(cc(c1Cl)C)O BC215707 [0,2,0,0,0,0|0,0,0]=2 718 B10R1.22 Cc1cc(cc(c1N)C)Br BC213539 [0,2,0,0,0,0|1,0,0]=3 719 B10R1.22 Cc1cc(cc(c1N)C)Cl BC227787 [0,2,0,0,0,0|1,0,0]=3 720 B10R1.22 Cc1cc(cc(c1N)C)I BC213574 [0,2,0,0,0,0|1,0,0]=3 721 B10R1.22 Cc1cc(cc(c1N)I)I BC220173 [0,2,0,0,0,0|1,0,0]=3 722 B10R1.22 Cc1cc(cc(c1N)N)Br BC227782 [0,2,0,0,0,0|1,0,0]=3 723 B10R1.22 Cc1cc(cc(c1O)C)Br BC209387 [0,2,0,0,0,0|1,0,0]=3 724 B10R1.22 Cc1cc(nc(c1C)O)O BC206240 [0,2,0,0,0,0|1,0,0]=3 725 B10R1.22 Cn1cc(cc(c1=O)Br)Br BC212246 [0,2,0,0,0,0|2,0,0]=4 726 B10R1.22 c1c(cc(c(c1Br)O)Br)Cl BC220179 [0,2,0,0,0,0|2,0,0]=4 727 B10R1.22 c1c(cc(c(c1Cl)Cl)Cl)Cl BC216090 [0,2,0,0,0,0|2,0,0]=4 728 B10R1.22 c1c(cc(c(c1F)Br)F)N BC251072 [0,2,0,0,0,0|2,0,0]=4 729 B10R1.22 c1c(cc(c(c1F)Cl)F)N BC224206 [0,2,0,0,0,0|2,0,0]=4 730 B10R1.22 c1c(cc(c(c1F)Cl)F)O BC213671 [0,2,0,0,0,0|1,0,0]=3 731 B10R1.22 c1c(cc(c(c1N)F)F)F BC227758 [0,2,0,0,0,0|2,0,0]=4 732 B10R1.22 c1c(cc(c(c1N)O)Cl)Cl BC210188 [0,2,0,0,0,0|2,0,0]=4 733 B10R1.119 Cc1c(c(ccc1O)O)C BC209237 [0,2,0,0,0,0|0,0,0]=2 734 B10R1.119 Cc1c(ccc(c1N)N)F BC227779 [0,2,0,0,0,0|1,0,0]=3 735 B10R1.119 Cc1c(cnc(c1F)Cl)I BC228789 [0,2,0,0,0,0|2,0,0]=4 736 B10R1.119 Cc1ccc(c(c1C)C)C BC630679 [0,2,0,0,0,0|1,0,0]=3 737 B10R1.119 Cc1ccc(c(c1Cl)N)Cl BC213137 [0,2,0,0,0,0|1,0,0]=3 738 B10R1.119 Cc1ccc(c(c1O)C)O BC206302 [0,2,0,0,0,0|1,0,0]=3 739 B10R1.119 c1cc(c(c(c1Br)F)F)Br BC675874 [0,2,0,0,0,0|2,0,0]=4 740 B10R1.119 c1cc(c(c(c1F)F)F)F BC207134 [0,2,0,0,0,0|2,0,0]=4 741 B10R1.119 c1cc(c(c(c1F)F)N)Br BC204727 [0,2,0,0,0,0|2,0,0]=4 742 B10R1.119 c1cc(c(c(c1F)N)F)F BC227759 [0,2,0,0,0,0|2,0,0]=4 743 B10R1.119 c1cc(c(c(c1N)F)Cl)Cl BC227766 [0,2,0,0,0,0|2,0,0]=4 744 B10R1.119 c1cc(c(c(c1N)F)F)Br BC213813 [0,2,0,0,0,0|2,0,0]=4 745 B10R1.119 c1cc(c(c(c1O)F)F)F BC200173 [0,2,0,0,0,0|1,0,0]=3 746 B10R1.245 C=Cc1c(cccc1F)F BC652145 [0,2,0,0,0,0|2,0,0]=4 747 B10R1.245 COc1c(cccc1Br)Br BC676630 [0,2,0,0,0,0|2,0,0]=4 748 B10R1.245 Cc1cccc(c1CCl)C BC207590 [0,2,0,0,0,0|1,0,0]=3 749 B10R1.245 Cc1cccc(c1CO)C BC207403 [0,2,0,0,0,0|1,0,0]=3 750 B10R1.245 Cc1cccc(c1[N+]#[C-])C BC600072 [0,2,0,0,0,0|1,0,0]=3 751 B10R1.245 Cc1ccnc(c1C#N)Cl BC229035 [0,2,0,0,0,0|2,0,0]=4 752 B10R1.245 c1c[nH]c(=O)c(c1O)C#N BC600081 [0,2,0,0,0,0|2,0,0]=4 753 B10R1.245 c1cc(c(c(c1)Br)C#N)F BC227645 [0,2,0,0,0,0|2,0,0]=4 754 B10R1.245 c1cc(c(c(c1)Br)C=O)F BC675903 [0,2,0,0,0,0|2,0,0]=4 755 B10R1.245 c1cc(c(c(c1)Cl)C=O)Cl BC676083 [0,2,0,0,0,0|2,0,0]=4 756 B10R1.245 c1cc(c(c(c1)F)C#N)F BC201189 [0,2,0,0,0,0|2,0,0]=4 757 B10R1.245 c1cc(c(c(c1)F)C#N)N BC686469 [0,2,0,0,0,0|2,0,0]=4 758 B10R1.245 c1cc(c(c(c1)F)C=O)O BC227715 [0,2,0,0,0,0|1,0,0]=3 759 B10R1.245 c1cc(c(c(c1)F)CBr)F BC202187 [0,2,0,0,0,0|2,0,0]=4 760 B10R1.245 c1cc(c(c(c1)F)NN)F BC216513 [0,2,0,0,0,0|2,0,0]=4 761 B10R1.25 C=Cc1ccc(cc1F)F BC227581 [0,2,0,0,0,0|2,0,0]=4 762 B10R1.25 CCc1ccc(cc1O)O BC201065 [0,2,0,0,0,0|1,0,0]=3 763 B10R1.25 COc1ccc(cc1Br)Cl BC200800 [0,2,0,0,0,0|2,0,0]=4 764 B10R1.25 COc1ccc(cc1Br)N BC208555 [0,2,0,0,0,0|2,0,0]=4 765 B10R1.25 COc1ccc(cc1I)Cl BC646260 [0,2,0,0,0,0|2,0,0]=4 766 B10R1.25 COc1ccc(cc1O)Br BC678376 [0,2,0,0,0,0|1,0,0]=3 767 B10R1.25 Cc1cc(ccc1C#N)Cl BC210293 [0,2,0,0,0,0|1,0,0]=3 768 B10R1.25 Cc1cc(ccc1C#N)F BC220197 [0,2,0,0,0,0|1,0,0]=3 769 B10R1.25 Cc1cc(ccc1C#N)N BC667367 [0,2,0,0,0,0|1,0,0]=3 770 B10R1.25 Cc1cc(ccc1C=O)F BC211665 [0,2,0,0,0,0|1,0,0]=3 771 B10R1.25 Cc1cc(ccc1C=O)O BC215465 [0,2,0,0,0,0|0,0,0]=2 772 B10R1.25 Cc1cc(ccc1CN)Br BC646006 [0,2,0,0,0,0|1,0,0]=3 773 B10R1.25 Cc1cc(cnc1C#N)O BC228143 [0,2,0,0,0,0|1,0,0]=3 774 B10R1.25 Cc1cc(cnc1OC)N BC219114 [0,2,0,0,0,0|2,0,0]=4 775 B10R1.25 Cc1ccc(c(=O)[nH]1)C#N BC229004 [0,2,0,0,0,0|1,0,1]=4 776 B10R1.25 Cc1ccc(c(c1)Br)C=O BC675522 [0,2,0,0,0,0|1,0,0]=3 777 B10R1.25 Cc1ccc(c(c1)C)NN BC227297 [0,2,0,0,0,0|1,0,0]=3 778 B10R1.25 Cc1ccc(c(c1)Cl)C#N BC227676 [0,2,0,0,0,0|1,0,0]=3 779 B10R1.25 Cc1ccc(c(c1)Cl)C=O BC658832 [0,2,0,0,0,0|1,0,0]=3 780 B10R1.25 Cc1ccc(c(c1)F)C#N BC220198 [0,2,0,0,0,0|1,0,0]=3 781 B10R1.25 Cc1ccc(c(c1)F)C=O BC211664 [0,2,0,0,0,0|1,0,0]=3 782 B10R1.25 Cc1ccc(c(n1)Cl)C#N BC228785 [0,2,0,0,0,0|2,0,0]=4 783 B10R1.25 Cc1ccc(c(n1)N)C#N BC224316 [0,2,0,0,0,0|2,0,0]=4 784 B10R1.25 c1cc(c(cc1Br)Cl)C=O BC227733 [0,2,0,0,0,0|2,0,0]=4 785 B10R1.25 c1cc(c(cc1Br)F)C#N BC206791 [0,2,0,0,0,0|2,0,0]=4 786 B10R1.25 c1cc(c(cc1Br)F)C=O BC227694 [0,2,0,0,0,0|2,0,0]=4 787 B10R1.25 c1cc(c(cc1Br)F)CN BC227356 [0,2,0,0,0,0|2,0,0]=4 788 B10R1.25 c1cc(c(cc1Br)O)C=O BC675928 [0,2,0,0,0,0|1,0,0]=3 789 B10R1.25 c1cc(c(cc1Cl)Br)C=O BC658860 [0,2,0,0,0,0|2,0,0]=4 790 B10R1.25 c1cc(c(cc1Cl)F)CCl BC200642 [0,2,0,0,0,0|2,0,0]=4 791 B10R1.25 c1cc(c(cc1Cl)F)CO BC226999 [0,2,0,0,0,0|2,0,0]=4 792 B10R1.25 c1cc(c(cc1Cl)O)C=O BC676335 [0,2,0,0,0,0|1,0,0]=3 793 B10R1.25 c1cc(c(cc1F)Br)C#N BC213670 [0,2,0,0,0,0|2,0,0]=4 794 B10R1.25 c1cc(c(cc1F)Cl)C#N BC211030 [0,2,0,0,0,0|2,0,0]=4 795 B10R1.25 c1cc(c(cc1F)Cl)NN BC200227 [0,2,0,0,0,0|2,0,0]=4 796 B10R1.25 c1cc(c(cc1F)F)CBr BC210967 [0,2,0,0,0,0|2,0,0]=4 797 B10R1.25 c1cc(c(cc1F)F)CN BC227346 [0,2,0,0,0,0|2,0,0]=4 798 B10R1.25 c1cc(c(cc1F)N)C#N BC226704 [0,2,0,0,0,0|2,0,0]=4 799 B10R1.25 c1cc(c(cc1F)O)C=O BC215403 [0,2,0,0,0,0|1,0,0]=3 800 B10R1.25 c1cc(c(cc1I)F)C#N BC227647 [0,2,0,0,0,0|2,0,0]=4 801 B10R1.25 c1cc(c(cc1N)F)C#N BC211038 [0,2,0,0,0,0|2,0,0]=4 802 B10R1.25 c1cc(c(cc1N)O)C#N BC236841 [0,2,0,0,0,0|1,0,0]=3 803 B10R1.25 c1cc(c(cc1O)Cl)C=O BC676095 [0,2,0,0,0,0|1,0,0]=3 804 B10R1.25 c1cc(c(cc1O)O)C=O BC676081 [0,2,0,0,0,0|1,0,0]=3 805 B10R1.118 Cc1cc(c(cc1Br)C)Br BC215419 [0,2,0,0,0,0|1,0,0]=3 806 B10R1.118 Cc1cc(c(cc1Cl)Br)F BC675890 [0,2,0,0,0,0|1,0,0]=3 807 B10R1.118 Cc1cc(c(cc1Cl)C)Cl BC218653 [0,2,0,0,0,0|1,0,0]=3 808 B10R1.118 Cc1cc(c(cc1F)Cl)N BC221801 [0,2,0,0,0,0|1,0,0]=3 809 B10R1.118 Cc1cc(c(cc1N)Br)F BC686357 [0,2,0,0,0,0|1,0,0]=3 810 B10R1.118 Cc1cc(c(nc1Br)Br)Br BC202215 [0,2,0,0,0,0|2,0,0]=4 811 B10R1.118 c1c(c(cc(c1Br)Br)N)N BC600207 [0,2,0,0,0,0|2,0,0]=4 812 B10R1.118 c1c(c(cc(c1Cl)Cl)Cl)Cl BC216089 [0,2,0,0,0,0|2,0,0]=4 813 B10R1.118 c1c(c(cc(c1Cl)Cl)N)N BC216365 [0,2,0,0,0,0|2,0,0]=4 814 B10R1.118 c1c(c(cc(c1Cl)O)Cl)N BC630700 [0,2,0,0,0,0|1,0,0]=3 815 B10R1.118 c1c(c(cc(c1F)Br)F)F BC205339 [0,2,0,0,0,0|2,0,0]=4 816 B10R1.118 c1c(c(nc(c1Cl)Cl)O)Cl BC201837 [0,2,0,0,0,0|2,0,0]=4 817 B8R1.7 c1cc([nH]c1)C(=O)O BC220697 [0,0,1,1,0,0|2,0,0]=4 818 B8R1.7 c1cc(oc1)C(=O)Cl BC226346 [0,0,1,1,0,0|2,0,0]=4 819 B10R2.31 c1cc2c(cc1Br)CC2 BC201494 [0,1,0,1,0,0|1,0,0]=3 820 B10R2.31 c1cc2c(cc1N)CC2 BC225112 [0,1,0,1,0,0|1,0,0]=3 821 B6R0.3 C\C=C(/C)\C(=O)O BC206708 [0,0,1,0,1,0|1,0,1]=4 822 B6R1.2 Cc1[nH]ccn1 BC228979 [1,0,0,0,1,0|2,0,0]=4 823 B6R1.2 Cc1c[nH]cn1 BC200416 [1,0,0,0,1,0|2,0,0]=4 824 B6R1.2 Cc1c[nH]nc1 BC677698 [1,0,0,0,1,0|2,0,0]=4 825 B6R1.2 Cc1ccno1 BC226936 [1,0,0,0,1,0|2,0,0]=4 826 B6R1.2 Cn1cccn1 BC202050 [1,0,0,0,1,0|2,0,0]=4 827 B6R1.2 Cn1ccnc1 BC680917 [1,0,0,0,1,0|2,0,0]=4 828 B6R1.2 c1cc(oc1)Br BC675565 [1,0,0,0,1,0|2,0,0]=4 829 B6R1.2 c1cc(sc1)Br BC676814 [1,0,0,0,1,0|2,0,0]=4 830 B6R1.2 c1cc(sc1)Br BC677960 [1,0,0,0,1,0|2,0,0]=4 831 B6R1.2 c1cc(sc1)F BC211749 [1,0,0,0,1,0|2,0,0]=4 832 B6R1.2 c1cocc1Br BC227194 [1,0,0,0,1,0|2,0,0]=4 833 B6R1.2 c1cscc1Br BC210528 [1,0,0,0,1,0|2,0,0]=4 834 B6R1.2 c1cscc1N BC677154 [1,0,0,0,1,0|2,0,0]=4 835 B6R1.2 c1cscc1N BC686803 [1,0,0,0,1,0|2,0,0]=4