0 B12R2.1081 Cc1c2c(nccn2)ncn1 pt015 [0,0,0,0,0,0|4,0,0]=4 1 B12R2.1081 Cc1cccc2c1cccn2 ct318de1lit2 [0,0,0,0,0,0|3,0,0]=3 2 B12R2.1081 Cc1ccnc2c1nccc2 cdp146fp1de2 [0,0,0,0,0,0|2,0,0]=2 3 B12R2.1081 c1cc2c(c(c1)Cl)nccn2 ct256vpde1 [0,0,0,0,0,0|2,0,0]=2 4 B12R2.1081 c1cc2c(c(ccn2)Cl)nc1 ct009lit1 [0,0,0,0,0,0|2,0,0]=2 5 B12R2.1081 c1cc2c(c(ccn2)O)nc1 ct009 [0,0,0,0,0,0|1,0,0]=1 6 B12R2.1081 c1cc2c(cccn2)c(c1)F qn055lit1 [0,0,0,0,0,0|3,0,0]=3 7 B12R2.1081 c1cc2c(cccn2)c(c1)I ct318de1lit1 [0,0,0,0,0,0|3,0,0]=3 8 B12R2.1081 c1cc2ccnc(c2nc1)N a041 [0,0,0,0,0,0|2,0,0]=2 9 B12R2.1081 c1ccc2c(c1)c(ccn2)F qn053 [0,0,0,0,0,0|3,0,0]=3 10 B12R2.1081 c1ccc2c(c1)ccnc2N cdp104de4 [0,0,0,0,0,0|3,0,0]=3 11 B12R2.1081 c1ccc2c(c1)cn[nH]c2=S ct407 [0,0,0,0,0,0|3,1,0]=4 12 B12R2.1081 c1ccc2c(c1)cncc2I fpzz0409fp6 [0,0,0,0,0,0|3,0,0]=3 13 B12R2.1081 c1ccc2c(c1)cncc2O fpzz0409fp5 [0,0,0,0,0,0|2,0,0]=2 14 B11R2.20 c1cnc2c(n1)cncn2 pt001 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.32 Cc1c(c2ccccc2cn1)Br un241 [0,1,0,0,0,0|3,0,0]=4 16 B13R2.32 Cc1c(c2ccccc2cn1)I un245 [0,1,0,0,0,0|3,0,0]=4 17 B13R2.32 Cc1c2ccccc2ccc1Br dna029 [0,1,0,0,0,0|2,0,0]=3 18 B13R2.32 Cc1c2ccccc2ccc1Cl dna028 [0,1,0,0,0,0|2,0,0]=3 19 B13R2.32 Cc1c2ccccc2ccc1I dna093 [0,1,0,0,0,0|2,0,0]=3 20 B13R2.32 Cc1c2ccccc2ncc1Br qn092 [0,1,0,0,0,0|3,0,0]=4 21 B13R2.32 Cc1c2ccccc2ncc1Cl qn091 [0,1,0,0,0,0|3,0,0]=4 22 B13R2.32 Cc1c2ccccc2ncc1N qn089 [0,1,0,0,0,0|3,0,0]=4 23 B13R2.32 Cc1ccc2c(c1C)cccn2 ct318de1lit4 [0,1,0,0,0,0|3,0,0]=4 24 B13R2.32 Cc1ccc2ccccc2c1I dna096 [0,1,0,0,0,0|2,0,0]=3 25 B13R2.32 Cc1cnc2ccccc2c1C qn085 [0,1,0,0,0,0|3,0,0]=4 26 B13R2.32 Cc1cnc2ccccc2c1N qn087 [0,1,0,0,0,0|3,0,0]=4 27 B13R2.32 c1cc2c(ccc(c2Cl)Cl)nc1 ct318de1lit3 [0,1,0,0,0,0|3,0,0]=4 28 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N qn096 [0,1,0,0,0,0|3,0,0]=4 29 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Br a004vp2de6 [0,1,0,0,0,0|3,0,0]=4 30 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Cl a004vp2de5 [0,1,0,0,0,0|3,0,0]=4 31 B13R2.32 c1ccc2c(c1)ccc(c2Br)Cl dna245 [0,1,0,0,0,0|2,0,0]=3 32 B13R2.32 c1ccc2c(c1)ccc(c2Br)I dna297 [0,1,0,0,0,0|2,0,0]=3 33 B13R2.32 c1ccc2c(c1)ccc(c2Br)N dna025 [0,1,0,0,0,0|2,0,0]=3 34 B13R2.32 c1ccc2c(c1)ccc(c2Cl)Br dna468 [0,1,0,0,0,0|2,0,0]=3 35 B13R2.32 c1ccc2c(c1)ccc(c2Cl)I dna469 [0,1,0,0,0,0|2,0,0]=3 36 B13R2.32 c1ccc2c(c1)ccc(c2F)O dna131 [0,1,0,0,0,0|2,0,0]=3 37 B13R2.32 c1ccc2c(c1)ccc(c2I)Br dna463 [0,1,0,0,0,0|2,0,0]=3 38 B13R2.32 c1ccc2c(c1)ccc(c2N)I dna464 [0,1,0,0,0,0|2,0,0]=3 39 B13R2.32 c1ccc2c(c1)cnc(c2F)O un247 [0,1,0,0,0,0|3,0,0]=4 40 B13R2.162 Cc1ccc2c(n1)c(ccn2)O ct009lit2 [0,1,0,0,0,0|1,0,0]=2 41 B13R2.162 Cc1ccc2cccc(c2c1)Cl dna247 [0,1,0,0,0,0|2,0,0]=3 42 B13R2.162 Cc1ccc2cccc(c2c1)I dna234 [0,1,0,0,0,0|2,0,0]=3 43 B13R2.162 Cc1cccc2c1cc(cc2)Br dna082 [0,1,0,0,0,0|2,0,0]=3 44 B13R2.162 Cc1cccc2c1cc(cc2)Cl dna465 [0,1,0,0,0,0|2,0,0]=3 45 B13R2.162 Cc1cccc2c1cc(cc2)N dna372 [0,1,0,0,0,0|2,0,0]=3 46 B13R2.162 Cc1cccc2c1cc(cc2)O dna016 [0,1,0,0,0,0|2,0,0]=3 47 B13R2.162 Cc1cnc2cccc(c2n1)Br rp017lit7de32 [0,1,0,0,0,0|2,0,0]=3 48 B13R2.162 Cc1cnc2cccc(c2n1)Cl rp017lit7de20 [0,1,0,0,0,0|2,0,0]=3 49 B13R2.162 Cc1cnc2cccc(c2n1)F rp017lit7de26 [0,1,0,0,0,0|2,0,0]=3 50 B13R2.162 c1cc2c(cc1Cl)c(ncn2)O f008ade3 [0,1,0,0,0,0|3,0,0]=4 51 B13R2.162 c1cc2c(cc1N)c(ncn2)O f008de1 [0,1,0,0,0,0|3,0,0]=4 52 B13R2.162 c1cc2ccc(cc2c(c1)Br)Br dna167 [0,1,0,0,0,0|2,0,0]=3 53 B13R2.162 c1cc2ccc(cc2c(c1)Br)Cl dna066 [0,1,0,0,0,0|2,0,0]=3 54 B13R2.162 c1cc2ccc(cc2c(c1)Cl)Br dna296 [0,1,0,0,0,0|2,0,0]=3 55 B13R2.162 c1cc2ccc(cc2c(c1)Cl)N dna477 [0,1,0,0,0,0|2,0,0]=3 56 B13R2.162 c1cc2ccc(cc2c(c1)Cl)O dna073 [0,1,0,0,0,0|2,0,0]=3 57 B13R2.162 c1cc2ccc(cc2c(c1)I)Cl dna235 [0,1,0,0,0,0|2,0,0]=3 58 B13R2.162 c1cc2ccc(cc2c(c1)I)O dna074 [0,1,0,0,0,0|2,0,0]=3 59 B13R2.162 c1cc2ccc(cc2c(c1)N)Br dna398 [0,1,0,0,0,0|2,0,0]=3 60 B13R2.162 c1cc2ccc(cc2c(c1)N)Cl dna129 [0,1,0,0,0,0|2,0,0]=3 61 B13R2.162 c1cc2ccc(cc2c(c1)O)Br dna315 [0,1,0,0,0,0|1,0,0]=2 62 B13R2.162 c1cc2ccc(cc2c(c1)O)Cl dna155 [0,1,0,0,0,0|1,0,0]=2 63 B13R2.162 c1cnc2c(c1O)cc(cn2)Cl cdp194fp2vp3de4 [0,1,0,0,0,0|3,0,0]=4 64 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 qn042 [0,1,0,0,0,0|2,0,1]=4 65 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 qn045 [0,1,0,0,0,0|3,0,0]=4 66 B13R2.328 Cc1cc(c2ccccc2n1)Br qn021 [0,1,0,0,0,0|3,0,0]=4 67 B13R2.328 Cc1cc(c2ccccc2n1)S qn013 [0,1,0,0,0,0|2,1,0]=4 68 B13R2.328 Cc1cc(cc2c1cccc2)Br dna362 [0,1,0,0,0,0|2,0,0]=3 69 B13R2.328 Cc1cc(cc2c1cccc2)Cl dna355 [0,1,0,0,0,0|2,0,0]=3 70 B13R2.328 Cc1cc(cc2c1cccc2)F dna179 [0,1,0,0,0,0|2,0,0]=3 71 B13R2.328 Cc1cc(cc2c1cccc2)O dna055 [0,1,0,0,0,0|2,0,0]=3 72 B13R2.328 Cc1cc(nc2c1cccc2)Br qn019 [0,1,0,0,0,0|3,0,0]=4 73 B13R2.328 Cc1cc(nc2c1cccc2)N qn031 [0,1,0,0,0,0|3,0,0]=4 74 B13R2.328 Cc1cc2ccccc2c(c1)Br dna147 [0,1,0,0,0,0|2,0,0]=3 75 B13R2.328 Cc1cc2ccccc2c(c1)N dna126 [0,1,0,0,0,0|2,0,0]=3 76 B13R2.328 Cc1nc2cccnc2c(=O)o1 ct255fp7 [0,1,0,0,0,0|2,0,1]=4 77 B13R2.328 c1cc2c(c(cc(=O)[nH]2)O)nc1 ct255fp3fp7 [0,1,0,0,0,0|1,0,0]=2 78 B13R2.328 c1ccc2c(c1)c(=O)cc(o2)N wh123 [0,1,0,0,0,0|2,0,1]=4 79 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br qn049 [0,1,0,0,0,0|3,0,0]=4 80 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N qn011 [0,1,0,0,0,0|3,0,0]=4 81 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N wh164 [0,1,0,0,0,0|3,0,0]=4 82 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)Br qn033 [0,1,0,0,0,0|3,0,0]=4 83 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)Cl qn018 [0,1,0,0,0,0|3,0,0]=4 84 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)I qn033fp1 [0,1,0,0,0,0|3,0,0]=4 85 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N qn024 [0,1,0,0,0,0|3,0,0]=4 86 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl qn050 [0,1,0,0,0,0|3,0,0]=4 87 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F qn001 [0,1,0,0,0,0|3,0,0]=4 88 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N qn016 [0,1,0,0,0,0|3,0,0]=4 89 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)O qn004 [0,1,0,0,0,0|2,0,0]=3 90 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br qn025 [0,1,0,0,0,0|3,0,0]=4 91 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl qn032 [0,1,0,0,0,0|3,0,0]=4 92 B13R2.328 c1ccc2c(c1)c(cc(n2)N)I qn025lit13 [0,1,0,0,0,0|3,0,0]=4 93 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N qn010 [0,1,0,0,0,0|3,0,0]=4 94 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O qn006 [0,1,0,0,0,0|2,0,0]=3 95 B13R2.328 c1ccc2c(c1)c(cc(n2)O)Cl qn014 [0,1,0,0,0,0|3,0,0]=4 96 B13R2.328 c1ccc2c(c1)c[n+](cc2Br)[O-] ct070vp1 [0,1,0,0,0,0|3,0,0]=4 97 B13R2.328 c1ccc2c(c1)cc(c[n+]2[O-])O a084lit1 [0,1,0,0,0,0|2,0,1]=4 98 B13R2.328 c1ccc2c(c1)cc(cc2Br)Br dna332de2 [0,1,0,0,0,0|2,0,0]=3 99 B13R2.328 c1ccc2c(c1)cc(cc2Br)N dna260 [0,1,0,0,0,0|2,0,0]=3 100 B13R2.328 c1ccc2c(c1)cc(cc2Br)O dna100lit1 [0,1,0,0,0,0|2,0,0]=3 101 B13R2.328 c1ccc2c(c1)cc(cc2Cl)Br dna443 [0,1,0,0,0,0|2,0,0]=3 102 B13R2.328 c1ccc2c(c1)cc(cc2Cl)N dna288 [0,1,0,0,0,0|2,0,0]=3 103 B13R2.328 c1ccc2c(c1)cc(cc2Cl)O dna263 [0,1,0,0,0,0|2,0,0]=3 104 B13R2.328 c1ccc2c(c1)cc(cc2I)I dna337 [0,1,0,0,0,0|2,0,0]=3 105 B13R2.328 c1ccc2c(c1)cc(cc2I)N dna293 [0,1,0,0,0,0|2,0,0]=3 106 B13R2.328 c1ccc2c(c1)cc(cc2I)O dna291 [0,1,0,0,0,0|2,0,0]=3 107 B13R2.328 c1ccc2c(c1)cc(cc2N)Br dna285 [0,1,0,0,0,0|2,0,0]=3 108 B13R2.328 c1ccc2c(c1)cc(cc2N)Cl dna287 [0,1,0,0,0,0|2,0,0]=3 109 B13R2.328 c1ccc2c(c1)cc(cc2N)I dna292 [0,1,0,0,0,0|2,0,0]=3 110 B13R2.328 c1ccc2c(c1)cc(cc2N)N dna049 [0,1,0,0,0,0|2,0,0]=3 111 B13R2.328 c1ccc2c(c1)cc(cc2N)O dna295 [0,1,0,0,0,0|2,0,0]=3 112 B13R2.328 c1ccc2c(c1)cc(cc2O)Br dna286 [0,1,0,0,0,0|1,0,0]=2 113 B13R2.328 c1ccc2c(c1)cc(cc2O)I dna290 [0,1,0,0,0,0|1,0,0]=2 114 B13R2.328 c1ccc2c(c1)cc(cc2O)N dna294 [0,1,0,0,0,0|1,0,0]=2 115 B13R2.328 c1ccc2c(c1)cc(nc2Br)Br ct095vp1fp3 [0,1,0,0,0,0|3,0,0]=4 116 B13R2.328 c1cncc2c1c(cc(=O)[nH]2)O f002de1fp4 [0,1,0,0,0,0|3,0,0]=4 117 B13R2.342 Cc1cccc2c1cccc2Br dna026 [0,1,0,0,0,0|2,0,0]=3 118 B13R2.342 Cc1cccc2c1cccc2Cl dna360 [0,1,0,0,0,0|2,0,0]=3 119 B13R2.342 Cc1cccc2c1cccc2F dna130 [0,1,0,0,0,0|2,0,0]=3 120 B13R2.342 Cc1cccc2c1cccc2N dna344 [0,1,0,0,0,0|2,0,0]=3 121 B13R2.342 Cc1ccnc2c1nccc2O ct009de4 [0,1,0,0,0,0|1,0,0]=2 122 B13R2.342 c1cc2c(c(c1)O)[nH]cnc2=O f008ade4 [0,1,0,0,0,0|1,0,1]=3 123 B13R2.342 c1cc2c(cccc2Br)c(c1)Br f033de3 [0,1,0,0,0,0|2,0,0]=3 124 B13R2.342 c1cc2c(cccc2Br)c(c1)Cl dna267 [0,1,0,0,0,0|2,0,0]=3 125 B13R2.342 c1cc2c(cccc2Cl)c(c1)O dna032 [0,1,0,0,0,0|1,0,0]=2 126 B13R2.342 c1cc2c(cccc2I)c(c1)Br dna266 [0,1,0,0,0,0|2,0,0]=3 127 B13R2.342 c1cc2c(cccc2I)c(c1)Cl dna421 [0,1,0,0,0,0|2,0,0]=3 128 B13R2.342 c1cc2c(cccc2I)c(c1)N dna219 [0,1,0,0,0,0|2,0,0]=3 129 B13R2.371 Cc1c2ccccc2c(cn1)Br ct070fp1 [0,1,0,0,0,0|3,0,0]=4 130 B13R2.371 Cc1c2ccccc2c(cn1)N ct070fp2 [0,1,0,0,0,0|3,0,0]=4 131 B13R2.371 Cc1ccc(c2c1cccc2)I dna236 [0,1,0,0,0,0|2,0,0]=3 132 B13R2.371 c1ccc2c(c1)c(ccc2Br)Cl dna138 [0,1,0,0,0,0|2,0,0]=3 133 B13R2.371 c1ccc2c(c1)c(ccc2F)O qe006 [0,1,0,0,0,0|1,0,0]=2 134 B13R2.371 c1ccc2c(c1)c(ccc2I)Br dna205 [0,1,0,0,0,0|2,0,0]=3 135 B13R2.371 c1ccc2c(c1)c(ccc2I)I dna094 [0,1,0,0,0,0|2,0,0]=3 136 B13R2.371 c1ccc2c(c1)c(ccc2I)O dna364 [0,1,0,0,0,0|1,0,0]=2 137 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br ct070 [0,1,0,0,0,0|3,0,0]=4 138 B13R2.1613 c1cc(c2cccnc2c1)C#N ct318de1lit6 [0,1,0,0,0,0|3,0,0]=4 139 B13R2.1613 c1cc2ccncc2c(c1)C=O a189 [0,1,0,0,0,0|2,0,1]=4 140 B13R2.1613 c1ccc2c(c1)c(ccn2)C#N qn048 [0,1,0,0,0,0|3,0,0]=4 141 B13R2.1613 c1ccc2c(c1)cccc2CI cic051 [0,1,0,0,0,0|2,0,0]=3 142 B13R2.1613 c1ccc2c(c1)cncc2C#N fpzz0409fp1 [0,1,0,0,0,0|3,0,0]=4 143 B13R2.1613 c1ccc2c(c1)cncc2C=O fpzz0409fp4 [0,1,0,0,0,0|2,0,1]=4 144 B13R2.4818 Cc1cccc2c1c(ccc2)Br dna083 [0,1,0,0,0,0|2,0,0]=3 145 B13R2.4818 Cc1cccc2c1c(ccc2)Cl dna273 [0,1,0,0,0,0|2,0,0]=3 146 B13R2.4818 Cc1cccc2c1c(ccc2)I dna433 [0,1,0,0,0,0|2,0,0]=3 147 B13R2.4818 Cc1cccc2c1c(ccc2)N dna391 [0,1,0,0,0,0|2,0,0]=3 148 B13R2.4818 Cc1cccc2c1c(ccc2)O dna081 [0,1,0,0,0,0|1,0,0]=2 149 B13R2.4818 c1cc(c2c(c1)ncnc2O)N f008de2 [0,1,0,0,0,0|3,0,0]=4 150 B13R2.4818 c1cc2cccc(c2c(c1)Br)Br f033 [0,1,0,0,0,0|2,0,0]=3 151 B13R2.4818 c1cc2cccc(c2c(c1)Br)I f033fp1 [0,1,0,0,0,0|2,0,0]=3 152 B13R2.4818 c1cc2cccc(c2c(c1)Cl)Br dna034 [0,1,0,0,0,0|2,0,0]=3 153 B13R2.4818 c1cc2cccc(c2c(c1)Cl)Cl f033de2 [0,1,0,0,0,0|2,0,0]=3 154 B13R2.4818 c1cc2cccc(c2c(c1)F)F f033de1 [0,1,0,0,0,0|2,0,0]=3 155 B13R2.4818 c1cc2cccc(c2c(c1)N)Br f033fp4 [0,1,0,0,0,0|2,0,0]=3 156 B13R2.4818 c1cc2cccc(c2c(c1)N)Cl dna183 [0,1,0,0,0,0|2,0,0]=3 157 B13R2.4818 c1cc2cccc(c2c(c1)O)Br dna200 [0,1,0,0,0,0|1,0,0]=2 158 B13R2.4818 c1cc2cccc(c2c(c1)O)Cl dna214 [0,1,0,0,0,0|1,0,0]=2 159 B13R2.4818 c1cc2cccc(c2c(c1)O)F dna447 [0,1,0,0,0,0|1,0,0]=2 160 B13R2.5179 Cc1cc2c(c(ccn2)O)nc1 ct009de3 [0,1,0,0,0,0|1,0,0]=2 161 B13R2.5179 Cc1ccc2c(c1)cccc2Br dna228 [0,1,0,0,0,0|2,0,0]=3 162 B13R2.5179 Cc1ccc2c(c1)cccc2Cl dna361 [0,1,0,0,0,0|2,0,0]=3 163 B13R2.5179 Cc1ccc2c(c1)cccc2F dna238 [0,1,0,0,0,0|2,0,0]=3 164 B13R2.5179 Cc1ccc2c(c1)cccc2I dna402 [0,1,0,0,0,0|2,0,0]=3 165 B13R2.5179 Cc1ccc2c(c1)cccc2N dna370 [0,1,0,0,0,0|2,0,0]=3 166 B13R2.5179 Cc1ccc2c(c1)cccc2O dna051 [0,1,0,0,0,0|1,0,0]=2 167 B13R2.5179 Cc1cccc2c1ccc(c2)Br dna279 [0,1,0,0,0,0|2,0,0]=3 168 B13R2.5179 Cc1cccc2c1ccc(c2)Cl dna009 [0,1,0,0,0,0|2,0,0]=3 169 B13R2.5179 Cc1cccc2c1ccc(c2)F dna180 [0,1,0,0,0,0|2,0,0]=3 170 B13R2.5179 Cc1cccc2c1ccc(c2)N dna097 [0,1,0,0,0,0|2,0,0]=3 171 B13R2.5179 Cc1cccc2c1ccc(c2)O dna218 [0,1,0,0,0,0|2,0,0]=3 172 B13R2.5179 Cc1cccc2c1ncc(n2)C rp017lit7de9 [0,1,0,0,0,0|2,0,0]=3 173 B13R2.5179 Cc1cnc2c(n1)cccc2Br rp017lit7de31 [0,1,0,0,0,0|2,0,0]=3 174 B13R2.5179 Cc1cnc2c(n1)cccc2Cl rp017lit7de19 [0,1,0,0,0,0|2,0,0]=3 175 B13R2.5179 Cc1cnc2c(n1)cccc2F rp017lit7de25 [0,1,0,0,0,0|2,0,0]=3 176 B13R2.5179 c1cc(=O)[nH]c2c1c(ccn2)O cdp194fp1 [0,1,0,0,0,0|3,0,0]=4 177 B13R2.5179 c1cc(nc2c1c(ccn2)O)Br cdp194fp2vp3de3 [0,1,0,0,0,0|3,0,0]=4 178 B13R2.5179 c1cc(nc2c1c(ccn2)O)Cl cdp194fp2vp3 [0,1,0,0,0,0|3,0,0]=4 179 B13R2.5179 c1cc(nc2c1c(ccn2)O)F cdp194fp2vp3de2 [0,1,0,0,0,0|3,0,0]=4 180 B13R2.5179 c1cc2c(cc1N)ncnc2O f008 [0,1,0,0,0,0|3,0,0]=4 181 B13R2.5179 c1cc2c(ccc(=O)o2)c(c1)Cl ct137fp1 [0,1,0,0,0,0|3,0,0]=4 182 B13R2.5179 c1cc2cc(ccc2c(c1)Br)Br dna012 [0,1,0,0,0,0|2,0,0]=3 183 B13R2.5179 c1cc2cc(ccc2c(c1)Br)N dna366 [0,1,0,0,0,0|2,0,0]=3 184 B13R2.5179 c1cc2cc(ccc2c(c1)Br)O dna373 [0,1,0,0,0,0|2,0,0]=3 185 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)F dna485 [0,1,0,0,0,0|2,0,0]=3 186 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)N dna348 [0,1,0,0,0,0|2,0,0]=3 187 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)O dna375 [0,1,0,0,0,0|2,0,0]=3 188 B13R2.5179 c1cc2cc(ccc2c(c1)F)F dna177 [0,1,0,0,0,0|2,0,0]=3 189 B13R2.5179 c1cc2cc(ccc2c(c1)F)O dna473 [0,1,0,0,0,0|2,0,0]=3 190 B13R2.5179 c1cc2cc(ccc2c(c1)I)I dna213 [0,1,0,0,0,0|2,0,0]=3 191 B13R2.5179 c1cc2cc(ccc2c(c1)I)O dna384 [0,1,0,0,0,0|2,0,0]=3 192 B13R2.5179 c1cc2cc(ccc2c(c1)N)Br dna456 [0,1,0,0,0,0|2,0,0]=3 193 B13R2.5179 c1cc2cc(ccc2c(c1)N)Cl dna127 [0,1,0,0,0,0|2,0,0]=3 194 B13R2.5179 c1cc2cc(ccc2c(c1)N)I dna393 [0,1,0,0,0,0|2,0,0]=3 195 B13R2.5179 c1cc2cc(ccc2c(c1)O)Br dna314 [0,1,0,0,0,0|1,0,0]=2 196 B13R2.5179 c1cc2cc(ccc2c(c1)O)Cl dna156 [0,1,0,0,0,0|1,0,0]=2 197 B13R2.5179 c1cc2cc(ccc2c(c1)O)F dna476 [0,1,0,0,0,0|1,0,0]=2 198 B13R2.5179 c1cc2cc(ccc2c(c1)O)I dna383 [0,1,0,0,0,0|1,0,0]=2 199 B13R2.5179 c1cc2cc(cnc2c(c1)Br)F qn055lit9 [0,1,0,0,0,0|1,0,0]=2 200 B11R1.53 c1cc(c(nc1)C(=O)O)C#N cin119de1 [0,0,1,0,0,0|2,0,1]=4 201 B11R2.1 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 [0,0,0,0,1,0|2,0,1]=4 202 B11R2.1 c1cc2c(c(no2)N)nc1 cdp027vp1fp5 [0,0,0,0,1,0|3,0,0]=4 203 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [0,0,0,0,1,0|3,0,0]=4 204 B11R2.106 Cc1cccc2c1cn[nH]2 ct453 [0,0,0,0,1,0|3,0,0]=4 205 B11R2.106 c1cc(c2ccoc2c1)O a073fp2 [0,0,0,0,1,0|1,0,0]=2 206 B11R2.106 c1cc(c2nccn2c1)F cdp047fp7 [0,0,0,0,1,0|2,0,0]=3 207 B11R2.106 c1cc2c(cc[nH]2)c(c1)O md016 [0,0,0,0,1,0|1,0,0]=2 208 B11R2.106 c1cc2ccoc2c(c1)O un058 [0,0,0,0,1,0|1,0,0]=2 209 B11R2.106 c1cc2nccn2c(c1)Cl cdp206fp10 [0,0,0,0,1,0|3,0,0]=4 210 B11R2.106 c1cc2nccn2c(c1)F cdp192fp1 [0,0,0,0,1,0|3,0,0]=4 211 B10R1.10 c1cc(cc(c1)O)\C=N\N un321 [1,0,1,0,0,0|1,0,1]=4 212 B10R1.15 c1ccnc(c1)C(=O)C=O wh081de3 [1,0,1,0,0,0|1,0,1]=4 213 B10R1.61 c1cc(c(nc1)C(=O)O)Br cdp045 [1,0,1,0,0,0|2,0,0]=4 214 B10R1.61 c1cc(c(nc1)C(=O)O)Cl cdp027 [1,0,1,0,0,0|2,0,0]=4 215 B10R1.61 c1cc(c(nc1)C(=O)O)F cdp006 [1,0,1,0,0,0|2,0,0]=4 216 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [1,0,1,0,0,0|2,0,0]=4 217 B10R1.61 c1cc(c(nc1)C(=O)O)S cdp157de1 [1,0,1,0,0,0|2,0,0]=4 218 B10R1.245 c1cc(c(c(c1)Cl)C=O)O ct137 [1,0,1,0,0,0|2,0,0]=4 219 B12R2.24 Cc1cc2c(cccn2)nc1 cdp146fp1de1 [1,1,0,0,0,0|1,0,0]=3 220 B12R2.24 Cc1ccc2c(n1)cccn2 cdp146fp1 [1,1,0,0,0,0|1,0,0]=3 221 B12R2.24 c1cc(=O)oc2c1ccnc2 f002fp1fp2 [1,1,0,0,0,0|2,0,0]=4 222 B12R2.24 c1cc2c(cc(cn2)O)nc1 ct009de2 [1,1,0,0,0,0|1,0,0]=3 223 B12R2.24 c1cc2c(ccc(n2)O)nc1 ct009de1 [1,1,0,0,0,0|1,0,0]=3 224 B12R2.24 c1cc2ccc(cc2nc1)F qn055lit2 [1,1,0,0,0,0|0,0,0]=2 225 B12R2.24 c1cc2ccc(cc2nc1)I ct318de1lit5 [1,1,0,0,0,0|0,0,0]=2 226 B12R2.24 c1cc2ccc(cc2nc1)N ct318de1lit7 [1,1,0,0,0,0|0,0,0]=2 227 B12R2.24 c1cc2ccc(cc2nc1)O tj006vp1 [1,1,0,0,0,0|0,0,0]=2 228 B12R2.24 c1cc2cnccc2cc1Br un129 [1,1,0,0,0,0|2,0,0]=4 229 B12R2.24 c1cc[n+]2cc(ccc2c1)Br cdp145fp6 [1,1,0,0,0,0|2,0,0]=4 230 B12R2.24 c1ccc2c(c1)cc(cn2)Cl qn056 [1,1,0,0,0,0|0,0,0]=2 231 B12R2.24 c1ccc2c(c1)cc(cn2)F qn055 [1,1,0,0,0,0|0,0,0]=2 232 B12R2.24 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 [1,1,0,0,0,0|0,0,0]=2 233 B12R2.24 c1ccc2c(c1)cc(cn2)O a084 [1,1,0,0,0,0|0,0,0]=2 234 B12R2.24 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 [1,1,0,0,0,0|0,0,0]=2 235 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [1,1,0,0,0,0|0,0,0]=2 236 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [1,1,0,0,0,0|0,0,0]=2 237 B12R2.24 c1ccc2c(c1)ncc(n2)Cl ct256vp [1,1,0,0,0,0|1,0,0]=3 238 B12R2.24 c1ccc2c(c1)ncc(n2)F ct256vpfp2 [1,1,0,0,0,0|1,0,0]=3 239 B12R2.24 c1ccc2c(c1)ncc(n2)I ct256vpfp1 [1,1,0,0,0,0|1,0,0]=3 240 B12R2.24 c1ccc2c(c1)ncc(n2)N ct256 [1,1,0,0,0,0|1,0,0]=3 241 B12R2.24 c1ccc2cnc(cc2c1)Br ct095 [1,1,0,0,0,0|2,0,0]=4 242 B12R2.24 c1ccc2cnc(cc2c1)N cdp104de5 [1,1,0,0,0,0|2,0,0]=4 243 B12R2.246 c1c[nH]c2c1c(cc(c2)Br)I un307 [0,1,0,0,1,0|2,0,0]=4 244 B12R2.246 c1coc2c1cc(cc2Br)Br un058de1 [0,1,0,0,1,0|2,0,0]=4 245 B12R2.246 c1coc2c1cc(cc2Cl)Cl un058de2 [0,1,0,0,1,0|2,0,0]=4 246 B12R2.315 COc1cccc2c1[nH]cc2 md007 [0,1,0,0,1,0|0,0,1]=3 247 B14R2.92 COc1ccc2ccccc2c1F dna065 [0,2,0,0,0,0|2,0,0]=4 248 B14R2.92 Cc1c(ccc2c1cccc2)C#N dna022 [0,2,0,0,0,0|2,0,0]=4 249 B14R2.92 Cc1c(ccc2c1cccc2)C=O dna092 [0,2,0,0,0,0|2,0,0]=4 250 B14R2.92 c1ccc2c(c1)ccc(c2Br)C#N dna023 [0,2,0,0,0,0|2,0,0]=4 251 B14R2.92 c1ccc2c(c1)ccc(c2Cl)C#N dna135 [0,2,0,0,0,0|2,0,0]=4 252 B14R2.92 c1ccc2c(c1)ccc(c2F)C#N dna045 [0,2,0,0,0,0|2,0,0]=4 253 B14R2.92 c1ccc2c(c1)ccc(c2I)C=O dna446 [0,2,0,0,0,0|2,0,0]=4 254 B14R2.92 c1ccc2c(c1)ccc(c2N)C=O dna429 [0,2,0,0,0,0|2,0,0]=4 255 B14R2.92 c1ccc2c(c1)ccc(c2O)C#N dna221 [0,2,0,0,0,0|1,0,0]=3 256 B14R2.203 COc1c2ccccc2ccc1Br dna199 [0,2,0,0,0,0|1,0,0]=3 257 B14R2.203 COc1c2ccccc2ccc1Cl dna119 [0,2,0,0,0,0|1,0,0]=3 258 B14R2.203 COc1c2ccccc2ccc1F dna281 [0,2,0,0,0,0|1,0,0]=3 259 B14R2.203 COc1c2ccccc2ccc1I dna413 [0,2,0,0,0,0|1,0,0]=3 260 B14R2.203 COc1c2ccccc2ccc1O dna007 [0,2,0,0,0,0|1,0,0]=3 261 B14R2.203 c1ccc2c(c1)ccc(c2C#N)Br dna400 [0,2,0,0,0,0|2,0,0]=4 262 B14R2.203 c1ccc2c(c1)ccc(c2C#N)Cl dna359 [0,2,0,0,0,0|2,0,0]=4 263 B14R2.203 c1ccc2c(c1)ccc(c2C#N)F dna086 [0,2,0,0,0,0|2,0,0]=4 264 B14R2.203 c1ccc2c(c1)ccc(c2C#N)I dna351 [0,2,0,0,0,0|2,0,0]=4 265 B14R2.203 c1ccc2c(c1)ccc(c2C=O)Br dna438 [0,2,0,0,0,0|1,0,1]=4 266 B14R2.203 c1ccc2c(c1)ccc(c2C=O)Cl dna054 [0,2,0,0,0,0|1,0,1]=4 267 B14R2.7724 Cc1cc(c2ccccc2c1N)Br dna332de14 [0,2,0,0,0,0|2,0,0]=4 268 B14R2.7724 c1ccc2c(c1)c(cc(c2N)Br)Br dna332de1 [0,2,0,0,0,0|2,0,0]=4 269 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)O a122 [0,2,0,0,0,0|1,0,0]=3 270 B14R2.142 COc1ccc2c(n1)c(ccn2)O ct009lit3 [0,2,0,0,0,0|1,0,0]=3 271 B14R2.142 COc1ccc2cccc(c2c1)I dna216 [0,2,0,0,0,0|2,0,0]=4 272 B14R2.142 Cc1cccc2c1cc(cc2)C#N dna223 [0,2,0,0,0,0|2,0,0]=4 273 B14R2.142 Cc1cccc2c1cc(cc2)C=O dna204 [0,2,0,0,0,0|2,0,0]=4 274 B14R2.142 c1cc2ccc(cc2c(c1)Cl)C#N dna252 [0,2,0,0,0,0|2,0,0]=4 275 B14R2.142 c1cc2ccc(cc2c(c1)Cl)C=O dna484 [0,2,0,0,0,0|2,0,0]=4 276 B14R2.142 c1cc2ccc(cc2c(c1)N)C#N dna255 [0,2,0,0,0,0|2,0,0]=4 277 B14R2.142 c1cc2ccc(cc2c(c1)O)C#N dna451 [0,2,0,0,0,0|1,0,0]=3 278 B14R2.8045 Cc1cccc2c1[nH]c(=O)cc2N qn011de7 [0,2,0,0,0,0|1,0,1]=4 279 B14R2.8045 Cc1cccc2c1nc(cc2O)N qn025lit2 [0,2,0,0,0,0|1,0,0]=3 280 B14R2.8045 c1c(cc(c2c1c(ncn2)O)Cl)Cl f008ade2 [0,2,0,0,0,0|2,0,0]=4 281 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)N)O qn025lit1 [0,2,0,0,0,0|2,0,0]=4 282 B14R2.8235 c1cc2c(cc1Cl)c(cc(n2)N)O qn025lit8 [0,2,0,0,0,0|2,0,0]=4 283 B14R2.8235 c1cc2c(cc1O)c(cc(n2)N)O qn025lit7 [0,2,0,0,0,0|2,0,0]=4 284 B14R2.8751 Cc1ccc(c2c1ncc(n2)C)C rp017lit7de33 [0,2,0,0,0,0|2,0,0]=4 285 B14R2.8751 Cc1cnc2c(ccc(c2n1)Br)Br rp017lit7de17 [0,2,0,0,0,0|2,0,0]=4 286 B14R2.8751 c1cc2c(ccc(c2cc1O)F)O un379 [0,2,0,0,0,0|1,0,0]=3 287 B14R2.11684 COc1cccc2c1cc(cc2)Br dna084 [0,2,0,0,0,0|1,0,0]=3 288 B14R2.11684 COc1cccc2c1cc(cc2)Cl dna305 [0,2,0,0,0,0|1,0,0]=3 289 B14R2.11684 COc1cccc2c1cc(cc2)N dna319 [0,2,0,0,0,0|1,0,0]=3 290 B14R2.11684 Cc1ccc2cccc(c2c1)C#N dna111 [0,2,0,0,0,0|2,0,0]=4 291 B14R2.11684 Cc1ccc2cccc(c2c1)C=O dna208 [0,2,0,0,0,0|1,0,1]=4 292 B14R2.11684 Cc1cnc2cccc(c2n1)OC rp017lit7de22 [0,2,0,0,0,0|1,0,0]=3 293 B14R2.11684 c1cc2ccc(cc2c(c1)C=O)F dna272 [0,2,0,0,0,0|1,0,1]=4 294 B14R2.11684 c1cc2ccc(cc2c(c1)C=O)O dna404 [0,2,0,0,0,0|1,0,1]=4 295 B14R2.28472 c1cc2cc(c(nc2c(c1)Br)Br)F qn055lit8 [0,2,0,0,0,0|1,0,0]=3 296 B14R2.28472 c1cc2cc(c(nc2c(c1)Br)O)F qn055lit7 [0,2,0,0,0,0|1,0,0]=3 297 B14R2.1019 COc1cc2ccccc2c(c1)Cl dna324 [0,2,0,0,0,0|2,0,0]=4 298 B14R2.1019 COc1cc2ccccc2c(c1)N dna128 [0,2,0,0,0,0|2,0,0]=4 299 B14R2.1019 COc1cc2ccccc2c(c1)O dna165 [0,2,0,0,0,0|1,0,0]=3 300 B14R2.1019 CSc1cc(=O)c2c(s1)cccn2 cdp027vp1fp4 [0,2,0,0,0,0|1,0,1]=4 301 B14R2.1019 Cc1cc(cc2c1cccc2)C#N dna363 [0,2,0,0,0,0|2,0,0]=4 302 B14R2.1019 Cc1cc(cc2c1cccc2)C=O dna338 [0,2,0,0,0,0|2,0,0]=4 303 B14R2.1019 Cc1cc(cc2c1cccc2)OC dna166 [0,2,0,0,0,0|2,0,0]=4 304 B14R2.1019 c1ccc2c(c1)cc(cc2Br)C#N dna452 [0,2,0,0,0,0|2,0,0]=4 305 B14R2.1019 c1ccc2c(c1)cc(cc2N)C#N dna310 [0,2,0,0,0,0|2,0,0]=4 306 B14R2.1019 c1ccc2c(c1)cc(cc2O)C#N dna439 [0,2,0,0,0,0|1,0,0]=3 307 B14R2.1019 c1ccc2c(c1)cc(cc2O)C=O dna440 [0,2,0,0,0,0|1,0,0]=3 308 B14R2.1146 COc1cc(cc2c1cccc2)I dna408 [0,2,0,0,0,0|1,0,0]=3 309 B14R2.1146 Cc1cc2ccccc2c(c1)C#N dna243 [0,2,0,0,0,0|2,0,0]=4 310 B14R2.1146 Cc1cc2ccccc2c(c1)C=O dna206 [0,2,0,0,0,0|1,0,1]=4 311 B14R2.1146 c1ccc2c(c1)cc(cc2C#N)Br dna270 [0,2,0,0,0,0|2,0,0]=4 312 B14R2.1146 c1ccc2c(c1)cc(cc2C#N)N dna308 [0,2,0,0,0,0|2,0,0]=4 313 B14R2.1146 c1ccc2c(c1)cc(cc2C#N)O dna303 [0,2,0,0,0,0|2,0,0]=4 314 B14R2.1146 c1ccc2c(c1)cc(cc2C=O)Br dna441 [0,2,0,0,0,0|1,0,1]=4 315 B14R2.1146 c1ccc2c(c1)cc(cc2C=O)Cl dna173 [0,2,0,0,0,0|1,0,1]=4 316 B14R2.1146 c1ccc2c(c1)cc(cc2C=O)O dna311 [0,2,0,0,0,0|1,0,1]=4 317 B14R2.1078 COc1cccc2c1cccc2Br dna261 [0,2,0,0,0,0|1,0,0]=3 318 B14R2.1078 COc1cccc2c1cccc2Cl dna194 [0,2,0,0,0,0|1,0,0]=3 319 B14R2.1078 COc1cccc2c1cccc2F dna195 [0,2,0,0,0,0|1,0,0]=3 320 B14R2.1078 COc1cccc2c1cccc2I dna193 [0,2,0,0,0,0|1,0,0]=3 321 B14R2.1078 Cc1cccc2c1cccc2C#N dna115 [0,2,0,0,0,0|2,0,0]=4 322 B14R2.1078 Cc1cccc2c1cccc2C=O dna354 [0,2,0,0,0,0|1,0,1]=4 323 B14R2.1078 Cc1cccc2c1cccc2OC dna117 [0,2,0,0,0,0|1,0,0]=3 324 B14R2.1078 Cc1ccnc2c1cccc2OC jmc016 [0,2,0,0,0,0|0,0,0]=2 325 B14R2.1078 c1cc(c2cccc(c2c1)Br)C#N dna385 [0,2,0,0,0,0|2,0,0]=4 326 B14R2.1078 c1cc(c2cccc(c2c1)Cl)C#N dna250 [0,2,0,0,0,0|2,0,0]=4 327 B14R2.1078 c1cc(c2cccc(c2c1)Cl)C=O dna412 [0,2,0,0,0,0|1,0,1]=4 328 B14R2.1078 c1cc(c2cccc(c2c1)F)C#N dna181 [0,2,0,0,0,0|2,0,0]=4 329 B14R2.1078 c1cc(c2cccc(c2c1)O)C#N dna033 [0,2,0,0,0,0|1,0,0]=3 330 B14R2.1078 c1cc(c2cccc(c2c1)O)C=O dna405 [0,2,0,0,0,0|1,0,0]=3 331 B14R2.1131 Cc1ccc(c2c1cccc2)OC dna046 [0,2,0,0,0,0|1,0,0]=3 332 B14R2.1131 c1ccc2c(c1)c(ccc2Br)C#N dna322 [0,2,0,0,0,0|2,0,0]=4 333 B14R2.1131 c1ccc2c(c1)c(ccc2I)C#N dna401 [0,2,0,0,0,0|2,0,0]=4 334 B14R2.1131 c1ccc2c(c1)c(ccc2O)C#N dna089 [0,2,0,0,0,0|1,0,0]=3 335 B14R2.1073 COc1cccc2c1cc[n+](c2)[O-] jmc050 [0,2,0,0,0,0|2,0,0]=4 336 B14R2.1073 COc1cccc2c1ccc(c2)I dna381 [0,2,0,0,0,0|1,0,0]=3 337 B14R2.1073 COc1cccc2c1ccc(c2)O dna410 [0,2,0,0,0,0|1,0,0]=3 338 B14R2.1073 Cc1ccc2c(c1)cccc2C#N dna244 [0,2,0,0,0,0|2,0,0]=4 339 B14R2.1073 Cc1ccc2c(c1)cccc2C=O dna207 [0,2,0,0,0,0|1,0,1]=4 340 B14R2.1073 Cc1ccc2c(c1)cccc2OC dna050 [0,2,0,0,0,0|1,0,0]=3 341 B14R2.1073 Cc1cnc2c(n1)cccc2OC rp017lit7de21 [0,2,0,0,0,0|1,0,0]=3 342 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)Br dna306 [0,2,0,0,0,0|2,0,0]=4 343 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)F dna182 [0,2,0,0,0,0|2,0,0]=4 344 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)N dna309 [0,2,0,0,0,0|2,0,0]=4 345 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)O dna390 [0,2,0,0,0,0|2,0,0]=4 346 B14R2.1073 c1cc2cc(ccc2c(c1)C=O)Br dna278 [0,2,0,0,0,0|1,0,1]=4 347 B14R2.1073 c1cc2cc(ccc2c(c1)C=O)O dna454 [0,2,0,0,0,0|1,0,1]=4 348 B14R2.7150 c1cc2cccnc2c(c1)\C=N/N bc025vp1de6 [0,2,0,0,0,0|1,0,0]=3 349 B14R2.11635 COc1cccc2c1c(ccc2)Cl dna118 [0,2,0,0,0,0|1,0,0]=3 350 B14R2.11635 Cc1cccc2c1c(ccc2)C#N dna242 [0,2,0,0,0,0|2,0,0]=4 351 B14R2.11635 Cc1cccc2c1c(ccc2)OC dna190 [0,2,0,0,0,0|1,0,0]=3 352 B14R2.11635 c1cc2cccc(c2c(c1)C#N)Br dna307de9 [0,2,0,0,0,0|2,0,0]=4 353 B14R2.11635 c1cc2cccc(c2c(c1)C#N)Cl dna253 [0,2,0,0,0,0|2,0,0]=4 354 B14R2.11635 c1cc2cccc(c2c(c1)C#N)F dna087 [0,2,0,0,0,0|2,0,0]=4 355 B14R2.11635 c1cc2cccc(c2c(c1)C#N)I dna417 [0,2,0,0,0,0|2,0,0]=4 356 B14R2.11635 c1cc2cccc(c2c(c1)C#N)N dna108 [0,2,0,0,0,0|2,0,0]=4 357 B14R2.11635 c1cc2cccc(c2c(c1)C#N)O dna150 [0,2,0,0,0,0|1,0,0]=3 358 B14R2.11635 c1cc2cccc(c2c(c1)C=O)Br dna275 [0,2,0,0,0,0|1,0,1]=4 359 B14R2.11635 c1cc2cccc(c2c(c1)C=O)Cl dna389 [0,2,0,0,0,0|1,0,1]=4 360 B14R2.11635 c1cc2cccc(c2c(c1)C=O)I dna276 [0,2,0,0,0,0|1,0,1]=4 361 B14R2.11635 c1cc2cccc(c2c(c1)C=O)O dna090 [0,2,0,0,0,0|1,0,0]=3 362 B14R2.1801 COc1cc2c(c(ccn2)O)nc1 ct009de5 [0,2,0,0,0,0|1,0,0]=3 363 B14R2.1801 COc1ccc2c(c1)cccc2Cl dna482 [0,2,0,0,0,0|2,0,0]=4 364 B14R2.1801 COc1ccc2c(c1)cccc2I dna209 [0,2,0,0,0,0|2,0,0]=4 365 B14R2.1801 Cc1cccc2c1ccc(c2)C=O dna339 [0,2,0,0,0,0|2,0,0]=4 366 B14R2.1801 c1cc2cc(ccc2c(c1)Br)C#N dna453 [0,2,0,0,0,0|2,0,0]=4 367 B14R2.1801 c1cc2cc(ccc2c(c1)Cl)C#N dna251 [0,2,0,0,0,0|2,0,0]=4 368 B14R2.1801 c1cc2cc(ccc2c(c1)Cl)C=O dna377 [0,2,0,0,0,0|2,0,0]=4 369 B14R2.1801 c1cc2cc(ccc2c(c1)F)C=O dna239 [0,2,0,0,0,0|2,0,0]=4 370 B14R2.1801 c1cc2cc(ccc2c(c1)N)C#N dna254 [0,2,0,0,0,0|2,0,0]=4 371 B14R3.164 c1cc2cccc3c2c(c1)SS3 f033fp3 [0,1,0,1,0,0|1,1,0]=4 372 B10R2.7 c1c[nH]c2c1ccnc2 md013 [1,0,0,0,1,0|1,0,1]=4 373 B10R2.7 c1cc2c(cc[nH]2)nc1 md008 [1,0,0,0,1,0|1,0,0]=3 374 B10R2.7 c1ccc2cscc2c1 hs2-b024lit9 [1,0,0,0,1,0|1,0,0]=3 375 B10R2.7 c1ccn2cccc2c1 a240 [1,0,0,0,1,0|1,0,0]=3 376 B10R2.7 c1cncc2c1cco2 f002fp3 [1,0,0,0,1,0|2,0,0]=4