0 B14R2.28472 c1cc2cc(c(nc2c(c1)Br)Br)F qn055lit8 [0,0,0,0,0,0|3,0,1]=4 1 B14R2.28472 c1cc2cc(c(nc2c(c1)Br)O)F qn055lit7 [0,0,0,0,0,0|2,0,2]=4 2 B13R2.162 Cc1ccc2cccc(c2c1)Cl dna247 [1,0,0,0,0,0|3,0,0]=4 3 B13R2.162 Cc1ccc2cccc(c2c1)I dna234 [1,0,0,0,0,0|3,0,0]=4 4 B13R2.162 Cc1cccc2c1cc(cc2)Br dna082 [1,0,0,0,0,0|2,0,0]=3 5 B13R2.162 Cc1cccc2c1cc(cc2)Cl dna465 [1,0,0,0,0,0|2,0,0]=3 6 B13R2.162 Cc1cccc2c1cc(cc2)N dna372 [1,0,0,0,0,0|2,0,0]=3 7 B13R2.162 Cc1cccc2c1cc(cc2)O dna016 [1,0,0,0,0,0|1,0,1]=3 8 B13R2.162 c1cc2ccc(cc2c(c1)Br)Br dna167 [1,0,0,0,0,0|3,0,0]=4 9 B13R2.162 c1cc2ccc(cc2c(c1)Br)Cl dna066 [1,0,0,0,0,0|3,0,0]=4 10 B13R2.162 c1cc2ccc(cc2c(c1)Cl)Br dna296 [1,0,0,0,0,0|3,0,0]=4 11 B13R2.162 c1cc2ccc(cc2c(c1)Cl)N dna477 [1,0,0,0,0,0|3,0,0]=4 12 B13R2.162 c1cc2ccc(cc2c(c1)Cl)O dna073 [1,0,0,0,0,0|2,0,1]=4 13 B13R2.162 c1cc2ccc(cc2c(c1)I)Cl dna235 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.162 c1cc2ccc(cc2c(c1)I)O dna074 [1,0,0,0,0,0|2,0,1]=4 15 B13R2.162 c1cc2ccc(cc2c(c1)N)Br dna398 [1,0,0,0,0,0|3,0,0]=4 16 B13R2.162 c1cc2ccc(cc2c(c1)N)Cl dna129 [1,0,0,0,0,0|3,0,0]=4 17 B13R2.162 c1cc2ccc(cc2c(c1)O)Br dna315 [1,0,0,0,0,0|3,0,0]=4 18 B13R2.162 c1cc2ccc(cc2c(c1)O)Cl dna155 [1,0,0,0,0,0|3,0,0]=4 19 B13R2.369 Cc1c(cc2ccccc2n1)Cl qn062 [1,0,0,0,0,0|2,0,1]=4 20 B13R2.369 Cc1c(cc2ccccc2n1)N qn067 [1,0,0,0,0,0|2,0,1]=4 21 B13R2.369 Cc1cc2ccccc2[nH]c1=O qn061 [1,0,0,0,0,0|1,0,0]=2 22 B13R2.369 Cc1cc2ccccc2cc1Cl dna202 [1,0,0,0,0,0|3,0,0]=4 23 B13R2.369 Cc1cc2ccccc2nc1Br qn071 [1,0,0,0,0,0|2,0,1]=4 24 B13R2.369 Cc1cc2ccccc2nc1C qn059 [1,0,0,0,0,0|2,0,1]=4 25 B13R2.369 Cc1cc2ccccc2nc1N qn075 [1,0,0,0,0,0|2,0,1]=4 26 B13R2.369 c1cc2c(cc(c(=O)[nH]2)Br)nc1 f009fp3 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)Cl qn058 [1,0,0,0,0,0|1,0,0]=2 28 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)O qn068 [1,0,0,0,0,0|0,0,0]=1 29 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)F qn055lit4 [1,0,0,0,0,0|2,0,1]=4 30 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)N qn065 [1,0,0,0,0,0|2,0,1]=4 31 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br qn080 [1,0,0,0,0,0|2,0,1]=4 32 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Cl qn057 [1,0,0,0,0,0|2,0,1]=4 33 B13R2.369 c1ccc2c(c1)cc(c(n2)O)F qn055lit3 [1,0,0,0,0,0|1,0,2]=4 34 B13R2.369 c1ccc2cc(c(cc2c1)Cl)Br dna246 [1,0,0,0,0,0|3,0,0]=4 35 B13R2.369 c1ccc2cc(c(cc2c1)F)Br dna176 [1,0,0,0,0,0|3,0,0]=4 36 B13R2.369 c1ccc2cc(c(cc2c1)N)Br dna144 [1,0,0,0,0,0|3,0,0]=4 37 B13R2.369 c1ccc2cc(c(cc2c1)N)Cl dna107 [1,0,0,0,0,0|3,0,0]=4 38 B13R2.369 c1ccc2cc(c(cc2c1)N)F dna444 [1,0,0,0,0,0|3,0,0]=4 39 B13R2.369 c1ccc2cc(c(cc2c1)N)I dna374 [1,0,0,0,0,0|3,0,0]=4 40 B13R2.369 c1ccc2cc(c(cc2c1)O)Cl dna154 [1,0,0,0,0,0|2,0,0]=3 41 B13R2.369 c1ccc2cc(c(cc2c1)O)I dna347 [1,0,0,0,0,0|2,0,0]=3 42 B13R2.5179 Cc1ccc2c(c1)cccc2Br dna228 [1,0,0,0,0,0|3,0,0]=4 43 B13R2.5179 Cc1ccc2c(c1)cccc2Cl dna361 [1,0,0,0,0,0|3,0,0]=4 44 B13R2.5179 Cc1ccc2c(c1)cccc2F dna238 [1,0,0,0,0,0|3,0,0]=4 45 B13R2.5179 Cc1ccc2c(c1)cccc2I dna402 [1,0,0,0,0,0|3,0,0]=4 46 B13R2.5179 Cc1ccc2c(c1)cccc2N dna370 [1,0,0,0,0,0|3,0,0]=4 47 B13R2.5179 Cc1ccc2c(c1)cccc2O dna051 [1,0,0,0,0,0|3,0,0]=4 48 B13R2.5179 Cc1cccc2c1ccc(c2)Br dna279 [1,0,0,0,0,0|2,0,0]=3 49 B13R2.5179 Cc1cccc2c1ccc(c2)Cl dna009 [1,0,0,0,0,0|2,0,0]=3 50 B13R2.5179 Cc1cccc2c1ccc(c2)F dna180 [1,0,0,0,0,0|2,0,0]=3 51 B13R2.5179 Cc1cccc2c1ccc(c2)N dna097 [1,0,0,0,0,0|2,0,0]=3 52 B13R2.5179 Cc1cccc2c1ccc(c2)O dna218 [1,0,0,0,0,0|1,0,0]=2 53 B13R2.5179 Cc1cccc2c1ncc(n2)C rp017lit7de9 [1,0,0,0,0,0|2,0,1]=4 54 B13R2.5179 c1cc2cc(ccc2c(c1)Br)Br dna012 [1,0,0,0,0,0|3,0,0]=4 55 B13R2.5179 c1cc2cc(ccc2c(c1)Br)N dna366 [1,0,0,0,0,0|3,0,0]=4 56 B13R2.5179 c1cc2cc(ccc2c(c1)Br)O dna373 [1,0,0,0,0,0|2,0,0]=3 57 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)F dna485 [1,0,0,0,0,0|3,0,0]=4 58 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)N dna348 [1,0,0,0,0,0|3,0,0]=4 59 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)O dna375 [1,0,0,0,0,0|2,0,0]=3 60 B13R2.5179 c1cc2cc(ccc2c(c1)F)F dna177 [1,0,0,0,0,0|3,0,0]=4 61 B13R2.5179 c1cc2cc(ccc2c(c1)F)O dna473 [1,0,0,0,0,0|2,0,0]=3 62 B13R2.5179 c1cc2cc(ccc2c(c1)I)I dna213 [1,0,0,0,0,0|3,0,0]=4 63 B13R2.5179 c1cc2cc(ccc2c(c1)I)O dna384 [1,0,0,0,0,0|2,0,0]=3 64 B13R2.5179 c1cc2cc(ccc2c(c1)N)Br dna456 [1,0,0,0,0,0|3,0,0]=4 65 B13R2.5179 c1cc2cc(ccc2c(c1)N)Cl dna127 [1,0,0,0,0,0|3,0,0]=4 66 B13R2.5179 c1cc2cc(ccc2c(c1)N)I dna393 [1,0,0,0,0,0|3,0,0]=4 67 B13R2.5179 c1cc2cc(ccc2c(c1)O)Br dna314 [1,0,0,0,0,0|3,0,0]=4 68 B13R2.5179 c1cc2cc(ccc2c(c1)O)Cl dna156 [1,0,0,0,0,0|3,0,0]=4 69 B13R2.5179 c1cc2cc(ccc2c(c1)O)F dna476 [1,0,0,0,0,0|3,0,0]=4 70 B13R2.5179 c1cc2cc(ccc2c(c1)O)I dna383 [1,0,0,0,0,0|3,0,0]=4 71 B13R2.5179 c1cc2cc(cnc2c(c1)Br)F qn055lit9 [1,0,0,0,0,0|2,0,1]=4 72 B13R1.148 Cc1cccc(c1)NC(=S)C(=O)N f126de5 [0,0,1,0,0,0|1,1,0]=3 73 B13R1.148 c1cc(cc(c1)Br)NC(=S)C(=O)N f126de14 [0,0,1,0,0,0|2,1,0]=4 74 B13R1.148 c1cc(cc(c1)Cl)NC(=S)C(=O)N f126de6 [0,0,1,0,0,0|2,1,0]=4 75 B13R1.148 c1cc(cc(c1)F)NC(=S)C(=O)N f126de18 [0,0,1,0,0,0|2,1,0]=4 76 B13R1.202 Cc1ccccc1NC(=S)C(=O)N f126de3 [0,0,1,0,0,0|1,1,1]=4 77 B12R2.24 c1cc(=O)oc2c1ccnc2 f002fp1fp2 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.24 c1cc2c(cc(cn2)O)nc1 ct009de2 [2,0,0,0,0,0|1,0,1]=4 79 B12R2.24 c1cc2ccc(cc2nc1)O tj006vp1 [2,0,0,0,0,0|2,0,0]=4 80 B12R2.24 c1ccc2c(c1)cc(cn2)Cl qn056 [2,0,0,0,0,0|1,0,1]=4 81 B12R2.24 c1ccc2c(c1)cc(cn2)F qn055 [2,0,0,0,0,0|1,0,1]=4 82 B12R2.24 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 [2,0,0,0,0,0|1,0,1]=4 83 B12R2.24 c1ccc2c(c1)cc(cn2)O a084 [2,0,0,0,0,0|0,0,1]=3 84 B12R2.24 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 [2,0,0,0,0,0|0,1,1]=4 85 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [2,0,0,0,0,0|1,0,1]=4 86 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [2,0,0,0,0,0|1,0,1]=4 87 B12R2.1081 Cc1cccc2c1cccn2 ct318de1lit2 [2,0,0,0,0,0|2,0,0]=4 88 B12R2.1081 Cc1ccnc2c1nccc2 cdp146fp1de2 [2,0,0,0,0,0|1,0,1]=4 89 B14R1.75 COc1cccc(c1)NC(=S)C(=O)N f126de10 [0,1,1,0,0,0|1,1,0]=4 90 B14R1.686 Cc1ccc(cc1C)NC(=S)C(=O)N f126de23 [0,1,1,0,0,0|1,1,0]=4 91 B14R1.4257 Cc1cc(cc(c1)NC(=S)C(=O)N)C f126de22 [0,1,1,0,0,0|1,1,0]=4 92 B14R1.4474 Cc1ccc(c(c1)NC(=S)C(=O)N)C f126de25 [0,1,1,0,0,0|1,1,0]=4 93 B14R2.142 Cc1cccc2c1cc(cc2)C#N dna223 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.142 Cc1cccc2c1cc(cc2)C=O dna204 [1,1,0,0,0,0|1,0,0]=3 95 B14R2.142 c1cc2ccc(cc2c(c1)Cl)C=O dna484 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.8045 Cc1cccc2c1[nH]c(=O)cc2N qn011de7 [1,1,0,0,0,0|0,0,0]=2 97 B14R2.8045 Cc1cccc2c1nc(cc2O)N qn025lit2 [1,1,0,0,0,0|1,0,1]=4 98 B14R2.11684 COc1cccc2c1cc(cc2)Br dna084 [1,1,0,0,0,0|2,0,0]=4 99 B14R2.11684 COc1cccc2c1cc(cc2)Cl dna305 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.11684 COc1cccc2c1cc(cc2)N dna319 [1,1,0,0,0,0|2,0,0]=4 101 B14R2.1128 COc1cc2ccccc2cc1I dna475 [1,1,0,0,0,0|2,0,0]=4 102 B14R2.1128 COc1cc2ccccc2cc1N dna222 [1,1,0,0,0,0|2,0,0]=4 103 B14R2.1128 Cc1cc2ccccc2cc1C=O dna005 [1,1,0,0,0,0|2,0,0]=4 104 B14R2.1128 Cc1cc2ccccc2cc1OC dna196 [1,1,0,0,0,0|2,0,0]=4 105 B14R2.1128 Cc1cc2ccccc2nc1C=O qn082 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.1128 c1cc2c(cc(c(=O)[nH]2)C#N)nc1 ct255fp3fp4 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C#N qn072 [1,1,0,0,0,0|1,0,0]=3 108 B14R2.1128 c1ccc2c(c1)cc(c(n2)C#N)O qn063 [1,1,0,0,0,0|1,0,1]=4 109 B14R2.1128 c1ccc2cc(c(cc2c1)C#N)O dna134 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Br dna282 [1,1,0,0,0,0|2,0,0]=4 111 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)Cl dna271 [1,1,0,0,0,0|2,0,0]=4 112 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)F dna038 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)N dna414 [1,1,0,0,0,0|2,0,0]=4 114 B14R2.1128 c1cncc2c1cc(c(=O)[nH]2)C#N f002de1fp3 [1,1,0,0,0,0|2,0,0]=4 115 B14R2.8188 Cc1c(=O)n(c2ccccc2n1)C pw013 [1,1,0,0,0,0|2,0,0]=4 116 B14R2.8188 Cc1c(c2ccccc2[nH]c1=O)N qn011de2 [1,1,0,0,0,0|1,0,0]=3 117 B14R2.1073 COc1cccc2c1ccc(c2)I dna381 [1,1,0,0,0,0|2,0,0]=4 118 B14R2.1073 COc1cccc2c1ccc(c2)O dna410 [1,1,0,0,0,0|1,0,0]=3 119 B14R2.1073 Cc1ccc2c(c1)cccc2OC dna050 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)O dna390 [1,1,0,0,0,0|1,0,1]=4 121 B14R2.1073 c1cc2cc(ccc2c(c1)C=O)O dna454 [1,1,0,0,0,0|1,0,1]=4 122 B14R2.1801 COc1ccc2c(c1)cccc2Cl dna482 [1,1,0,0,0,0|2,0,0]=4 123 B14R2.1801 COc1ccc2c(c1)cccc2I dna209 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.1801 Cc1cccc2c1ccc(c2)C=O dna339 [1,1,0,0,0,0|1,0,1]=4 125 B14R2.29365 Cc1cc(=O)[nH]c2c1ccc(c2)O un275 [1,1,0,0,0,0|2,0,0]=4 126 B14R2.4506 Cc1ccc2c(c1C)C(=O)C(=O)N2 pw036 [0,1,0,0,1,0|1,0,1]=4