0 B13R2.328 Cc1cc(=O)c2ccccc2[nH]1 qn042 [0,0,0,0,0,0|3,0,1]=4 1 B13R2.328 Cc1cc(=S)[nH]c2c1cccc2 qn045 [0,0,0,0,0,0|3,0,1]=4 2 B13R2.328 Cc1cc(c2ccccc2n1)Br qn021 [0,0,0,0,0,0|3,0,0]=3 3 B13R2.328 Cc1cc(c2ccccc2n1)S qn013 [0,0,0,0,0,0|3,0,0]=3 4 B13R2.328 Cc1cc(cc2c1cccc2)Br dna362 [0,0,0,0,0,0|4,0,0]=4 5 B13R2.328 Cc1cc(cc2c1cccc2)Cl dna355 [0,0,0,0,0,0|4,0,0]=4 6 B13R2.328 Cc1cc(cc2c1cccc2)F dna179 [0,0,0,0,0,0|4,0,0]=4 7 B13R2.328 Cc1cc(cc2c1cccc2)O dna055 [0,0,0,0,0,0|4,0,0]=4 8 B13R2.328 Cc1cc(nc2c1cccc2)Br qn019 [0,0,0,0,0,0|3,0,0]=3 9 B13R2.328 Cc1cc(nc2c1cccc2)N qn031 [0,0,0,0,0,0|2,0,0]=2 10 B13R2.328 Cc1cc2ccccc2c(c1)Br dna147 [0,0,0,0,0,0|4,0,0]=4 11 B13R2.328 Cc1cc2ccccc2c(c1)N dna126 [0,0,0,0,0,0|3,0,0]=3 12 B13R2.328 Cc1nc2cccnc2c(=O)o1 ct255fp7 [0,0,0,0,0,0|4,0,0]=4 13 B13R2.328 Cc1nc2ccncc2c(=O)o1 cdp268fp1 [0,0,0,0,0,0|4,0,0]=4 14 B13R2.328 c1ccc2c(c1)CC(=O)NC2=O ct095vp1 [0,0,0,0,0,0|3,0,1]=4 15 B13R2.328 c1ccc2c(c1)c(=O)cc(o2)N wh123 [0,0,0,0,0,0|3,0,0]=3 16 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)Br qn049 [0,0,0,0,0,0|3,0,1]=4 17 B13R2.328 c1ccc2c(c1)c(cc(=O)[nH]2)N qn011 [0,0,0,0,0,0|2,0,1]=3 18 B13R2.328 c1ccc2c(c1)c(cc(=O)o2)N wh164 [0,0,0,0,0,0|3,0,0]=3 19 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)Br qn033 [0,0,0,0,0,0|3,0,0]=3 20 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)Cl qn018 [0,0,0,0,0,0|3,0,0]=3 21 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)I qn033fp1 [0,0,0,0,0,0|3,0,0]=3 22 B13R2.328 c1ccc2c(c1)c(cc(n2)Br)N qn024 [0,0,0,0,0,0|2,0,0]=2 23 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)Cl qn050 [0,0,0,0,0,0|3,0,0]=3 24 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)F qn001 [0,0,0,0,0,0|3,0,0]=3 25 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)N qn016 [0,0,0,0,0,0|2,0,0]=2 26 B13R2.328 c1ccc2c(c1)c(cc(n2)Cl)O qn004 [0,0,0,0,0,0|3,0,0]=3 27 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Br qn025 [0,0,0,0,0,0|2,0,0]=2 28 B13R2.328 c1ccc2c(c1)c(cc(n2)N)Cl qn032 [0,0,0,0,0,0|2,0,0]=2 29 B13R2.328 c1ccc2c(c1)c(cc(n2)N)I qn025lit13 [0,0,0,0,0,0|2,0,0]=2 30 B13R2.328 c1ccc2c(c1)c(cc(n2)N)N qn010 [0,0,0,0,0,0|1,0,0]=1 31 B13R2.328 c1ccc2c(c1)c(cc(n2)N)O qn006 [0,0,0,0,0,0|2,0,0]=2 32 B13R2.328 c1ccc2c(c1)c(cc(n2)O)Cl qn014 [0,0,0,0,0,0|3,0,0]=3 33 B13R2.328 c1ccc2c(c1)cc(cc2Br)Br dna332de2 [0,0,0,0,0,0|4,0,0]=4 34 B13R2.328 c1ccc2c(c1)cc(cc2Br)N dna260 [0,0,0,0,0,0|3,0,0]=3 35 B13R2.328 c1ccc2c(c1)cc(cc2Br)O dna100lit1 [0,0,0,0,0,0|4,0,0]=4 36 B13R2.328 c1ccc2c(c1)cc(cc2Cl)Br dna443 [0,0,0,0,0,0|4,0,0]=4 37 B13R2.328 c1ccc2c(c1)cc(cc2Cl)N dna288 [0,0,0,0,0,0|3,0,0]=3 38 B13R2.328 c1ccc2c(c1)cc(cc2Cl)O dna263 [0,0,0,0,0,0|4,0,0]=4 39 B13R2.328 c1ccc2c(c1)cc(cc2I)I dna337 [0,0,0,0,0,0|4,0,0]=4 40 B13R2.328 c1ccc2c(c1)cc(cc2I)N dna293 [0,0,0,0,0,0|3,0,0]=3 41 B13R2.328 c1ccc2c(c1)cc(cc2I)O dna291 [0,0,0,0,0,0|4,0,0]=4 42 B13R2.328 c1ccc2c(c1)cc(cc2N)Br dna285 [0,0,0,0,0,0|3,0,0]=3 43 B13R2.328 c1ccc2c(c1)cc(cc2N)Cl dna287 [0,0,0,0,0,0|3,0,0]=3 44 B13R2.328 c1ccc2c(c1)cc(cc2N)I dna292 [0,0,0,0,0,0|3,0,0]=3 45 B13R2.328 c1ccc2c(c1)cc(cc2N)N dna049 [0,0,0,0,0,0|2,0,0]=2 46 B13R2.328 c1ccc2c(c1)cc(cc2N)O dna295 [0,0,0,0,0,0|3,0,0]=3 47 B13R2.328 c1ccc2c(c1)cc(cc2O)Br dna286 [0,0,0,0,0,0|4,0,0]=4 48 B13R2.328 c1ccc2c(c1)cc(cc2O)I dna290 [0,0,0,0,0,0|4,0,0]=4 49 B13R2.328 c1ccc2c(c1)cc(cc2O)N dna294 [0,0,0,0,0,0|3,0,0]=3 50 B13R2.328 c1ccc2c(c1)cc(nc2Br)Br ct095vp1fp3 [0,0,0,0,0,0|3,0,0]=3 51 B13R2.328 c1cnc2c(n1)c(nc(n2)N)N pw028 [0,0,0,0,0,0|2,0,0]=2 52 B12R2.24 Cc1ccc2c(n1)cccn2 cdp146fp1 [1,0,0,0,0,0|3,0,0]=4 53 B12R2.24 Cc1ncc2c(n1)nccn2 pt014 [1,0,0,0,0,0|3,0,0]=4 54 B12R2.24 c1cc2c(ccc(n2)O)nc1 ct009de1 [1,0,0,0,0,0|3,0,0]=4 55 B12R2.24 c1cc2ccc(cc2nc1)N ct318de1lit7 [1,0,0,0,0,0|3,0,0]=4 56 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [1,0,0,0,0,0|2,0,0]=3 57 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [1,0,0,0,0,0|2,0,0]=3 58 B12R2.24 c1ccc2c(c1)ncc(n2)Cl ct256vp [1,0,0,0,0,0|3,0,0]=4 59 B12R2.24 c1ccc2c(c1)ncc(n2)F ct256vpfp2 [1,0,0,0,0,0|3,0,0]=4 60 B12R2.24 c1ccc2c(c1)ncc(n2)I ct256vpfp1 [1,0,0,0,0,0|3,0,0]=4 61 B12R2.24 c1ccc2c(c1)ncc(n2)N ct256 [1,0,0,0,0,0|2,0,0]=3 62 B12R2.24 c1ccc2cnc(cc2c1)Br ct095 [1,0,0,0,0,0|2,0,0]=3 63 B12R2.24 c1ccc2cnc(cc2c1)N cdp104de5 [1,0,0,0,0,0|1,0,0]=2 64 B12R2.24 c1cnc-2cnc(=O)nc2[nH]1 pt016 [1,0,0,0,0,0|3,0,0]=4 65 B12R2.1081 Cc1c2c(nccn2)ncn1 pt015 [1,0,0,0,0,0|3,0,0]=4 66 B12R2.1081 Cc1ccnc2c1nccc2 cdp146fp1de2 [1,0,0,0,0,0|3,0,0]=4 67 B12R2.1081 c1cc2c(c(ccn2)Cl)nc1 ct009lit1 [1,0,0,0,0,0|3,0,0]=4 68 B12R2.1081 c1cc2c(c(ccn2)O)nc1 ct009 [1,0,0,0,0,0|3,0,0]=4 69 B12R2.1081 c1cc2ccnc(c2nc1)N a041 [1,0,0,0,0,0|2,0,0]=3 70 B12R2.1081 c1ccc2c(c1)c(ccn2)F qn053 [1,0,0,0,0,0|2,0,0]=3 71 B12R2.1081 c1ccc2c(c1)ccnc2N cdp104de4 [1,0,0,0,0,0|1,0,0]=2 72 B12R2.1081 c1cncc2c1c(=O)nc[nH]2 f002afp6 [1,0,0,0,0,0|2,0,1]=4 73 B14R2.1019 COc1cc(c2ccccc2n1)Br qn049vp [0,1,0,0,0,0|3,0,0]=4 74 B14R2.1019 COc1cc(c2ccccc2n1)Cl qn049vpde1 [0,1,0,0,0,0|3,0,0]=4 75 B14R2.1019 COc1cc2ccccc2c(c1)N dna128 [0,1,0,0,0,0|3,0,0]=4 76 B14R2.1019 Cc1cc(nc2c1cccc2)C#N qn038 [0,1,0,0,0,0|2,0,1]=4 77 B14R2.1019 Cc1cc(nc2c1cccc2)C=O qn023 [0,1,0,0,0,0|3,0,0]=4 78 B14R2.1019 c1ccc2c(c1)c(cc(n2)C#N)Cl qn044 [0,1,0,0,0,0|2,0,1]=4 79 B14R2.1019 c1ccc2c(c1)c(cc(n2)C=O)Br qn029 [0,1,0,0,0,0|3,0,0]=4 80 B14R2.1019 c1ccc2c(c1)c(cc(n2)C=O)Cl qn030 [0,1,0,0,0,0|3,0,0]=4 81 B14R2.1019 c1ccc2c(c1)cc(cc2N)C#N dna310 [0,1,0,0,0,0|2,0,1]=4 82 B14R2.1146 Cc1cc(c2ccccc2n1)C#N qn027 [0,1,0,0,0,0|2,0,1]=4 83 B14R2.1146 Cc1cc(c2ccccc2n1)C=O qn040 [0,1,0,0,0,0|3,0,0]=4 84 B14R2.1146 c1ccc2c(c1)c(cc(n2)Br)C#N qn012 [0,1,0,0,0,0|2,0,1]=4 85 B14R2.1146 c1ccc2c(c1)c(cc(n2)Br)C=O qn002 [0,1,0,0,0,0|3,0,0]=4 86 B14R2.1146 c1ccc2c(c1)c(cc(n2)Cl)C#N qn046 [0,1,0,0,0,0|2,0,1]=4 87 B14R2.1146 c1ccc2c(c1)c(cc(n2)Cl)C=O qn003 [0,1,0,0,0,0|3,0,0]=4 88 B14R2.1146 c1ccc2c(c1)c(cc(n2)N)C#N a079vp1fp2de2 [0,1,0,0,0,0|1,0,1]=3 89 B14R2.1146 c1ccc2c(c1)c(cc(n2)O)C#N qn020 [0,1,0,0,0,0|2,0,1]=4 90 B14R2.1146 c1ccc2c(c1)cc(cc2C#N)N dna308 [0,1,0,0,0,0|2,0,1]=4 91 B14R2.8045 Cc1[nH]c2c(cccc2N)c(=O)n1 ct316fp9 [0,1,0,0,0,0|2,0,1]=4 92 B14R2.8045 Cc1cccc2c1[nH]c(=O)cc2N qn011de7 [0,1,0,0,0,0|2,0,1]=4 93 B14R2.8045 Cc1cccc2c1nc(cc2O)N qn025lit2 [0,1,0,0,0,0|2,0,0]=3 94 B14R2.8188 Cc1c(c2ccccc2[nH]c1=O)N qn011de2 [0,1,0,0,0,0|2,0,1]=4 95 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Br)Cl qn033lit1 [0,1,0,0,0,0|3,0,0]=4 96 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Br)N qn016fp4 [0,1,0,0,0,0|2,0,0]=3 97 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Cl)Cl qn011lit5 [0,1,0,0,0,0|3,0,0]=4 98 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Cl)N qn016fp3 [0,1,0,0,0,0|2,0,0]=3 99 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)N)N qn016fp2 [0,1,0,0,0,0|2,0,0]=3 100 B14R2.8188 c1ccc2c(c1)c(c(c(n2)N)Br)Br qn025fp4 [0,1,0,0,0,0|2,0,0]=3 101 B14R2.8188 c1ccc2c(c1)c(c(c(n2)N)Cl)Br qn025fp3 [0,1,0,0,0,0|2,0,0]=3 102 B14R2.8188 c1ccc2c(c1)c(c(c(n2)N)N)Br qn025fp2 [0,1,0,0,0,0|2,0,0]=3 103 B14R2.8235 Cc1c[nH]c-2nc(nc(=O)c2n1)N pt007 [0,1,0,0,0,0|3,0,0]=4 104 B14R2.8235 Cc1ccc2c(c1)c(cc(n2)N)O qn025lit1 [0,1,0,0,0,0|2,0,0]=3 105 B14R2.8235 Cc1cnc2c(n1)c(nc(n2)N)N pt006 [0,1,0,0,0,0|2,0,0]=3 106 B14R2.8235 Cc1nc2ccc(cc2c(=O)o1)I jmc001 [0,1,0,0,0,0|3,0,0]=4 107 B14R2.8235 c1cc2c(cc1Cl)c(cc(n2)N)O qn025lit8 [0,1,0,0,0,0|2,0,0]=3 108 B14R2.8235 c1cc2c(cc1Cl)c(nc(n2)Cl)Cl hw004 [0,1,0,0,0,0|2,0,0]=3 109 B14R2.8235 c1cc2c(cc1O)c(cc(n2)N)O qn025lit7 [0,1,0,0,0,0|2,0,0]=3 110 B14R2.28480 Cc1cccc2c1c(cc(=O)[nH]2)N qn011de6 [0,1,0,0,0,0|2,0,1]=4 111 B14R2.29365 Cc1ccc2c(cc(=O)[nH]c2c1)N qn011de1 [0,1,0,0,0,0|2,0,1]=4 112 B14R2.29365 Cc1nc2cc(ccc2c(=O)o1)Cl jmc004 [0,1,0,0,0,0|3,0,0]=4 113 B12R1.1095 C(=O)Nc1c(nc(nc1O)N)N pw037 [0,0,1,0,0,0|3,0,0]=4 114 B12R2.246 Cc1nc2c(ccs2)c(n1)Cl ct423 [0,0,0,0,1,0|3,0,0]=4 115 B11R2.20 c1cnc2c(n1)cncn2 pt001 [2,0,0,0,0,0|2,0,0]=4 116 B13R2.32 Cc1c(c2ccccc2cn1)Br un241 [1,1,0,0,0,0|2,0,0]=4 117 B13R2.32 Cc1c(c2ccccc2cn1)I un245 [1,1,0,0,0,0|2,0,0]=4 118 B13R2.32 c1ccc2c(c1)ccc(c2Br)N dna025 [1,1,0,0,0,0|2,0,0]=4 119 B13R2.32 c1ccc2c(c1)cnc(c2F)O un247 [1,1,0,0,0,0|2,0,0]=4 120 B13R2.155 Cc1ccc2ccc(cc2c1)N dna371 [1,1,0,0,0,0|2,0,0]=4 121 B13R2.155 c1cc(cc2c1ccc(c2)Br)N dna455 [1,1,0,0,0,0|2,0,0]=4 122 B13R2.155 c1cc(cc2c1ccc(c2)Cl)N dna289 [1,1,0,0,0,0|2,0,0]=4 123 B13R2.155 c1cc2cnc(nc2cc1Br)N a095de5 [1,1,0,0,0,0|0,0,0]=2 124 B13R2.155 c1cc2cnc(nc2cc1Cl)N a095de4 [1,1,0,0,0,0|0,0,0]=2 125 B13R2.155 c1cc2cnc(nc2cc1F)N a095de3 [1,1,0,0,0,0|0,0,0]=2 126 B13R2.162 Cc1cccc2c1cc(cc2)N dna372 [1,1,0,0,0,0|2,0,0]=4 127 B13R2.162 c1cc2ccc(cc2c(c1)Cl)N dna477 [1,1,0,0,0,0|2,0,0]=4 128 B13R2.369 Cc1c(cc2ccccc2n1)Cl qn062 [1,1,0,0,0,0|2,0,0]=4 129 B13R2.369 Cc1c(cc2ccccc2n1)N qn067 [1,1,0,0,0,0|2,0,0]=4 130 B13R2.369 Cc1cc2ccccc2nc1Br qn071 [1,1,0,0,0,0|2,0,0]=4 131 B13R2.369 Cc1cc2ccccc2nc1C qn059 [1,1,0,0,0,0|2,0,0]=4 132 B13R2.369 Cc1cc2ccccc2nc1N qn075 [1,1,0,0,0,0|1,0,0]=3 133 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)F qn055lit4 [1,1,0,0,0,0|2,0,0]=4 134 B13R2.369 c1ccc2c(c1)cc(c(n2)Br)N qn065 [1,1,0,0,0,0|2,0,0]=4 135 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Br qn080 [1,1,0,0,0,0|2,0,0]=4 136 B13R2.369 c1ccc2c(c1)cc(c(n2)Cl)Cl qn057 [1,1,0,0,0,0|2,0,0]=4 137 B13R2.369 c1ccc2c(c1)cc(c(n2)O)F qn055lit3 [1,1,0,0,0,0|2,0,0]=4 138 B13R2.369 c1ccc2c(c1)nc(c(n2)Br)N ct256fp5 [1,1,0,0,0,0|2,0,0]=4 139 B13R2.369 c1ccc2cc(c(cc2c1)N)Br dna144 [1,1,0,0,0,0|2,0,0]=4 140 B13R2.369 c1ccc2cc(c(cc2c1)N)Cl dna107 [1,1,0,0,0,0|2,0,0]=4 141 B13R2.369 c1ccc2cc(c(cc2c1)N)F dna444 [1,1,0,0,0,0|2,0,0]=4 142 B13R2.369 c1ccc2cc(c(cc2c1)N)I dna374 [1,1,0,0,0,0|2,0,0]=4 143 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N a094 [1,1,0,0,0,0|0,0,0]=2 144 B13R2.3683 Cc1ccc2cc(ccc2c1)N dna099 [1,1,0,0,0,0|2,0,0]=4 145 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N a095 [1,1,0,0,0,0|0,0,0]=2 146 B13R2.5179 Cc1cccc2c1ccc(c2)N dna097 [1,1,0,0,0,0|2,0,0]=4 147 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl a095de1 [1,1,0,0,0,0|0,0,0]=2 148 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)F a095de2 [1,1,0,0,0,0|0,0,0]=2 149 B13R2.5179 c1cc2cc(ccc2c(c1)Br)N dna366 [1,1,0,0,0,0|2,0,0]=4 150 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)N dna348 [1,1,0,0,0,0|2,0,0]=4 151 B13R2.342 Cc1cccc2c1cccc2N dna344 [1,1,0,0,0,0|2,0,0]=4 152 B13R2.342 c1cc2c(c(c1)O)[nH]cnc2=O f008ade4 [1,1,0,0,0,0|1,0,1]=4 153 B13R2.342 c1cc2c(cccc2I)c(c1)N dna219 [1,1,0,0,0,0|2,0,0]=4 154 B13R2.371 Cc1c2ccccc2c(cn1)Br ct070fp1 [1,1,0,0,0,0|2,0,0]=4 155 B13R2.371 Cc1c2ccccc2c(cn1)N ct070fp2 [1,1,0,0,0,0|2,0,0]=4 156 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br ct070 [1,1,0,0,0,0|2,0,0]=4 157 B13R2.1613 c1ccc2c(c1)c(ccn2)C#N qn048 [1,1,0,0,0,0|1,0,1]=4 158 B13R2.4818 Cc1cccc2c1c(ccc2)N dna391 [1,1,0,0,0,0|2,0,0]=4 159 B13R2.4818 c1cc(c2c(c1)ncnc2O)N f008de2 [1,1,0,0,0,0|1,0,0]=3 160 B13R2.4818 c1cc2cccc(c2c(c1)N)Br f033fp4 [1,1,0,0,0,0|2,0,0]=4 161 B13R2.4818 c1cc2cccc(c2c(c1)N)Cl dna183 [1,1,0,0,0,0|2,0,0]=4 162 B15R2.886 CCOc1cc(c2ccccc2n1)N qn016lit1 [0,2,0,0,0,0|2,0,0]=4 163 B15R2.14951 c1ccc2c(c1)c(cc(n2)C(=O)O)N qn009 [0,2,0,0,0,0|2,0,0]=4 164 B15R2.988 c1ccc2c(c1)c(cc(n2)N)C(=O)O qn008 [0,2,0,0,0,0|2,0,0]=4 165 B15R2.20937 COc1cccc2c1nc(cc2O)N qn025lit5 [0,2,0,0,0,0|2,0,0]=4 166 B15R2.59732 Cc1cc(c2c(c1)c(cc(n2)N)O)C qn025lit3 [0,2,0,0,0,0|2,0,0]=4 167 B15R2.21329 COc1ccc2c(c1)c(cc(n2)N)O qn025lit4 [0,2,0,0,0,0|2,0,0]=4 168 B11R2.1 c1cc2c(c(no2)N)nc1 cdp027vp1fp5 [1,0,0,0,1,0|2,0,0]=4 169 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [1,0,0,0,1,0|2,0,0]=4 170 B11R2.1 c1cncc2c1c(n[nH]2)N ct051fp2 [1,0,0,0,1,0|2,0,0]=4 171 B11R2.10 c1ccn2cc(nc2c1)Cl co011 [1,0,0,0,1,0|2,0,0]=4