0 B14R2.203 COc1c2ccccc2ccc1Br dna199 [0,0,0,0,0,0|3,0,0]=3 1 B14R2.203 COc1c2ccccc2ccc1Cl dna119 [0,0,0,0,0,0|3,0,0]=3 2 B14R2.203 COc1c2ccccc2ccc1F dna281 [0,0,0,0,0,0|3,0,0]=3 3 B14R2.203 COc1c2ccccc2ccc1I dna413 [0,0,0,0,0,0|3,0,0]=3 4 B14R2.203 COc1c2ccccc2ccc1O dna007 [0,0,0,0,0,0|2,0,0]=2 5 B14R2.203 Cc1c(c2ccccc2cn1)C#N un242 [0,0,0,0,0,0|2,0,2]=4 6 B14R2.203 c1ccc2c(c1)c(c(cn2)F)C=O qn055fp3 [0,0,0,0,0,0|3,0,1]=4 7 B14R2.203 c1ccc2c(c1)ccc(c2C#N)Br dna400 [0,0,0,0,0,0|1,0,2]=3 8 B14R2.203 c1ccc2c(c1)ccc(c2C#N)Cl dna359 [0,0,0,0,0,0|1,0,2]=3 9 B14R2.203 c1ccc2c(c1)ccc(c2C#N)F dna086 [0,0,0,0,0,0|1,0,2]=3 10 B14R2.203 c1ccc2c(c1)ccc(c2C#N)I dna351 [0,0,0,0,0,0|1,0,2]=3 11 B14R2.203 c1ccc2c(c1)ccc(c2C=O)Br dna438 [0,0,0,0,0,0|2,0,1]=3 12 B14R2.203 c1ccc2c(c1)ccc(c2C=O)Cl dna054 [0,0,0,0,0,0|2,0,1]=3 13 B13R2.32 Cc1c(c2ccccc2cn1)Br un241 [1,0,0,0,0,0|3,0,0]=4 14 B13R2.32 Cc1c(c2ccccc2cn1)I un245 [1,0,0,0,0,0|3,0,0]=4 15 B13R2.32 Cc1c2ccccc2ccc1Br dna029 [1,0,0,0,0,0|1,0,0]=2 16 B13R2.32 Cc1c2ccccc2ccc1Cl dna028 [1,0,0,0,0,0|1,0,0]=2 17 B13R2.32 Cc1c2ccccc2ccc1I dna093 [1,0,0,0,0,0|1,0,0]=2 18 B13R2.32 Cc1c2ccccc2ncc1Br qn092 [1,0,0,0,0,0|2,0,0]=3 19 B13R2.32 Cc1c2ccccc2ncc1Cl qn091 [1,0,0,0,0,0|2,0,0]=3 20 B13R2.32 Cc1c2ccccc2ncc1N qn089 [1,0,0,0,0,0|2,0,0]=3 21 B13R2.32 Cc1ccc2c(c1C)cccn2 ct318de1lit4 [1,0,0,0,0,0|2,0,0]=3 22 B13R2.32 Cc1ccc2ccccc2c1I dna096 [1,0,0,0,0,0|2,0,0]=3 23 B13R2.32 Cc1cnc2ccccc2c1C qn085 [1,0,0,0,0,0|2,0,0]=3 24 B13R2.32 Cc1cnc2ccccc2c1N qn087 [1,0,0,0,0,0|2,0,0]=3 25 B13R2.32 c1cc2c(ccc(c2Cl)Cl)nc1 ct318de1lit3 [1,0,0,0,0,0|3,0,0]=4 26 B13R2.32 c1ccc2c(c1)c(c(cn2)N)N qn096 [1,0,0,0,0,0|2,0,0]=3 27 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Br a004vp2de6 [1,0,0,0,0,0|2,0,0]=3 28 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Cl a004vp2de5 [1,0,0,0,0,0|2,0,0]=3 29 B13R2.32 c1ccc2c(c1)ccc(c2Br)Cl dna245 [1,0,0,0,0,0|2,0,0]=3 30 B13R2.32 c1ccc2c(c1)ccc(c2Br)I dna297 [1,0,0,0,0,0|2,0,0]=3 31 B13R2.32 c1ccc2c(c1)ccc(c2Br)N dna025 [1,0,0,0,0,0|2,0,0]=3 32 B13R2.32 c1ccc2c(c1)ccc(c2Cl)Br dna468 [1,0,0,0,0,0|2,0,0]=3 33 B13R2.32 c1ccc2c(c1)ccc(c2Cl)I dna469 [1,0,0,0,0,0|2,0,0]=3 34 B13R2.32 c1ccc2c(c1)ccc(c2F)O dna131 [1,0,0,0,0,0|1,0,0]=2 35 B13R2.32 c1ccc2c(c1)ccc(c2I)Br dna463 [1,0,0,0,0,0|2,0,0]=3 36 B13R2.32 c1ccc2c(c1)ccc(c2N)I dna464 [1,0,0,0,0,0|1,0,0]=2 37 B13R2.32 c1ccc2c(c1)cnc(c2F)O un247 [1,0,0,0,0,0|2,0,0]=3 38 B13R2.1613 c1cc(c2cccnc2c1)C#N ct318de1lit6 [1,0,0,0,0,0|1,0,2]=4 39 B13R2.1613 c1cc2ccncc2c(c1)C=O a189 [1,0,0,0,0,0|2,0,1]=4 40 B13R2.1613 c1ccc2c(c1)c(ccn2)C#N qn048 [1,0,0,0,0,0|1,0,2]=4 41 B13R2.1613 c1ccc2c(c1)cccc2CI cic051 [1,0,0,0,0,0|1,0,0]=2 42 B13R2.1613 c1ccc2c(c1)cncc2C#N fpzz0409fp1 [1,0,0,0,0,0|1,0,2]=4 43 B13R2.1613 c1ccc2c(c1)cncc2C=O fpzz0409fp4 [1,0,0,0,0,0|2,0,1]=4 44 B15R2.1162 c1ccc2c(c1)c(c(cn2)O)C(=O)O qn083 [0,1,0,0,0,0|2,0,1]=4 45 B15R2.1162 c1ccc2c(c1)ccc(c2C(=O)O)Br dna002 [0,1,0,0,0,0|2,0,1]=4 46 B15R2.1162 c1ccc2c(c1)ccc(c2C(=O)O)I dna003 [0,1,0,0,0,0|2,0,1]=4 47 B15R2.1162 c1ccc2c(c1)ccc(c2C(=O)O)N dna269 [0,1,0,0,0,0|2,0,1]=4 48 B15R2.1162 c1ccc2c(c1)cnc(c2[N+](=O)[O-])O un244 [0,1,0,0,0,0|3,0,0]=4 49 B15R2.2115 COc1c(ccc2c1cccc2)C#N dna136 [0,1,0,0,0,0|3,0,0]=4 50 B15R2.2115 COc1c(ccc2c1cccc2)C=O dna125 [0,1,0,0,0,0|2,0,1]=4 51 B15R2.2115 COc1ccc2ccccc2c1OC dna164 [0,1,0,0,0,0|2,0,0]=3 52 B15R2.9941 CCOc1c2ccccc2ccc1N dna426 [0,1,0,0,0,0|2,0,0]=3 53 B12R2.24 c1cc2c(cc(cn2)O)nc1 ct009de2 [2,0,0,0,0,0|2,0,0]=4 54 B12R2.24 c1cc2c(ccc(n2)O)nc1 ct009de1 [2,0,0,0,0,0|2,0,0]=4 55 B12R2.24 c1cc2ccc(cc2nc1)F qn055lit2 [2,0,0,0,0,0|2,0,0]=4 56 B12R2.24 c1cc2ccc(cc2nc1)I ct318de1lit5 [2,0,0,0,0,0|2,0,0]=4 57 B12R2.24 c1cc2ccc(cc2nc1)N ct318de1lit7 [2,0,0,0,0,0|2,0,0]=4 58 B12R2.24 c1cc2ccc(cc2nc1)O tj006vp1 [2,0,0,0,0,0|1,0,0]=3 59 B12R2.24 c1cc2cnccc2cc1Br un129 [2,0,0,0,0,0|2,0,0]=4 60 B12R2.24 c1cc[n+]2cc(ccc2c1)Br cdp145fp6 [2,0,0,0,0,0|2,0,0]=4 61 B12R2.24 c1ccc2c(c1)cc(cn2)Cl qn056 [2,0,0,0,0,0|2,0,0]=4 62 B12R2.24 c1ccc2c(c1)cc(cn2)F qn055 [2,0,0,0,0,0|2,0,0]=4 63 B12R2.24 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 [2,0,0,0,0,0|2,0,0]=4 64 B12R2.24 c1ccc2c(c1)cc(cn2)O a084 [2,0,0,0,0,0|1,0,0]=3 65 B12R2.24 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 [2,0,0,0,0,0|1,1,0]=4 66 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [2,0,0,0,0,0|2,0,0]=4 67 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [2,0,0,0,0,0|2,0,0]=4 68 B12R2.24 c1ccc2cnc(cc2c1)Br ct095 [2,0,0,0,0,0|2,0,0]=4 69 B12R2.24 c1ccc2cnc(cc2c1)N cdp104de5 [2,0,0,0,0,0|2,0,0]=4 70 B12R2.1081 Cc1cccc2c1cccn2 ct318de1lit2 [2,0,0,0,0,0|1,0,0]=3 71 B12R2.1081 Cc1ccnc2c1nccc2 cdp146fp1de2 [2,0,0,0,0,0|2,0,0]=4 72 B12R2.1081 c1cc2c(cccn2)c(c1)F qn055lit1 [2,0,0,0,0,0|2,0,0]=4 73 B12R2.1081 c1cc2c(cccn2)c(c1)I ct318de1lit1 [2,0,0,0,0,0|2,0,0]=4 74 B12R2.1081 c1cc2ccnc(c2nc1)N a041 [2,0,0,0,0,0|2,0,0]=4 75 B12R2.1081 c1ccc2c(c1)c(ccn2)F qn053 [2,0,0,0,0,0|2,0,0]=4 76 B12R2.1081 c1ccc2c(c1)ccnc2N cdp104de4 [2,0,0,0,0,0|1,0,0]=3 77 B12R2.1081 c1ccc2c(c1)cncc2I fpzz0409fp6 [2,0,0,0,0,0|2,0,0]=4 78 B12R2.1081 c1ccc2c(c1)cncc2O fpzz0409fp5 [2,0,0,0,0,0|2,0,0]=4 79 B14R2.92 COc1ccc2ccccc2c1F dna065 [1,1,0,0,0,0|1,0,0]=3 80 B14R2.92 Cc1c(ccc2c1cccc2)C#N dna022 [1,1,0,0,0,0|1,0,0]=3 81 B14R2.92 Cc1c(ccc2c1cccc2)C=O dna092 [1,1,0,0,0,0|0,0,1]=3 82 B14R2.92 c1ccc2c(c1)ccc(c2Br)C#N dna023 [1,1,0,0,0,0|2,0,0]=4 83 B14R2.92 c1ccc2c(c1)ccc(c2Cl)C#N dna135 [1,1,0,0,0,0|2,0,0]=4 84 B14R2.92 c1ccc2c(c1)ccc(c2F)C#N dna045 [1,1,0,0,0,0|2,0,0]=4 85 B14R2.92 c1ccc2c(c1)ccc(c2I)C=O dna446 [1,1,0,0,0,0|1,0,1]=4 86 B14R2.92 c1ccc2c(c1)ccc(c2N)C=O dna429 [1,1,0,0,0,0|0,0,1]=3 87 B14R2.92 c1ccc2c(c1)ccc(c2O)C#N dna221 [1,1,0,0,0,0|2,0,0]=4 88 B14R2.7724 Cc1cc(c2ccccc2c1N)Br dna332de14 [1,1,0,0,0,0|1,0,0]=3 89 B14R2.7724 c1ccc2c(c1)c(cc(c2N)Br)Br dna332de1 [1,1,0,0,0,0|1,0,0]=3 90 B14R2.7724 c1ccc2c(c1)c(cc(c2O)Cl)O a122 [1,1,0,0,0,0|2,0,0]=4 91 B14R2.8188 Cc1c(c2ccccc2[nH]c1=O)N qn011de2 [1,1,0,0,0,0|2,0,0]=4 92 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Br)N qn016fp4 [1,1,0,0,0,0|2,0,0]=4 93 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)Cl)N qn016fp3 [1,1,0,0,0,0|2,0,0]=4 94 B14R2.8188 c1ccc2c(c1)c(c(c(n2)Cl)N)N qn016fp2 [1,1,0,0,0,0|2,0,0]=4 95 B14R2.1073 COc1cccc2c1ccc(c2)I dna381 [1,1,0,0,0,0|2,0,0]=4 96 B14R2.1073 COc1cccc2c1ccc(c2)O dna410 [1,1,0,0,0,0|2,0,0]=4 97 B14R2.1073 Cc1ccc2c(c1)cccc2C#N dna244 [1,1,0,0,0,0|0,0,2]=4 98 B14R2.1073 Cc1ccc2c(c1)cccc2C=O dna207 [1,1,0,0,0,0|1,0,1]=4 99 B14R2.1073 Cc1ccc2c(c1)cccc2OC dna050 [1,1,0,0,0,0|2,0,0]=4 100 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)Br dna306 [1,1,0,0,0,0|0,0,2]=4 101 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)F dna182 [1,1,0,0,0,0|0,0,2]=4 102 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)N dna309 [1,1,0,0,0,0|0,0,2]=4 103 B14R2.1073 c1cc2cc(ccc2c(c1)C#N)O dna390 [1,1,0,0,0,0|0,0,2]=4 104 B14R2.1073 c1cc2cc(ccc2c(c1)C=O)Br dna278 [1,1,0,0,0,0|1,0,1]=4 105 B14R2.1073 c1cc2cc(ccc2c(c1)C=O)O dna454 [1,1,0,0,0,0|1,0,1]=4 106 B14R2.1078 COc1cccc2c1cccc2Br dna261 [1,1,0,0,0,0|2,0,0]=4 107 B14R2.1078 COc1cccc2c1cccc2Cl dna194 [1,1,0,0,0,0|2,0,0]=4 108 B14R2.1078 COc1cccc2c1cccc2F dna195 [1,1,0,0,0,0|2,0,0]=4 109 B14R2.1078 COc1cccc2c1cccc2I dna193 [1,1,0,0,0,0|2,0,0]=4 110 B14R2.1078 Cc1cccc2c1cccc2C#N dna115 [1,1,0,0,0,0|0,0,2]=4 111 B14R2.1078 Cc1cccc2c1cccc2C=O dna354 [1,1,0,0,0,0|1,0,1]=4 112 B14R2.1078 Cc1cccc2c1cccc2OC dna117 [1,1,0,0,0,0|2,0,0]=4 113 B14R2.1078 c1cc(c2cccc(c2c1)Br)C#N dna385 [1,1,0,0,0,0|0,0,2]=4 114 B14R2.1078 c1cc(c2cccc(c2c1)Cl)C#N dna250 [1,1,0,0,0,0|0,0,2]=4 115 B14R2.1078 c1cc(c2cccc(c2c1)Cl)C=O dna412 [1,1,0,0,0,0|1,0,1]=4 116 B14R2.1078 c1cc(c2cccc(c2c1)F)C#N dna181 [1,1,0,0,0,0|0,0,2]=4 117 B14R2.1078 c1cc(c2cccc(c2c1)O)C#N dna033 [1,1,0,0,0,0|0,0,2]=4 118 B14R2.1078 c1cc(c2cccc(c2c1)O)C=O dna405 [1,1,0,0,0,0|1,0,1]=4 119 B14R2.1131 Cc1ccc(c2c1cccc2)OC dna046 [1,1,0,0,0,0|2,0,0]=4 120 B14R2.1131 c1ccc2c(c1)c(ccc2Br)C#N dna322 [1,1,0,0,0,0|0,0,2]=4 121 B14R2.1131 c1ccc2c(c1)c(ccc2I)C#N dna401 [1,1,0,0,0,0|0,0,2]=4 122 B14R2.1131 c1ccc2c(c1)c(ccc2O)C#N dna089 [1,1,0,0,0,0|0,0,2]=4 123 B14R2.1146 COc1cc(cc2c1cccc2)I dna408 [1,1,0,0,0,0|2,0,0]=4 124 B14R2.1146 Cc1cc2ccccc2c(c1)C#N dna243 [1,1,0,0,0,0|0,0,2]=4 125 B14R2.1146 Cc1cc2ccccc2c(c1)C=O dna206 [1,1,0,0,0,0|1,0,1]=4 126 B14R2.1146 c1ccc2c(c1)cc(cc2C#N)Br dna270 [1,1,0,0,0,0|0,0,2]=4 127 B14R2.1146 c1ccc2c(c1)cc(cc2C#N)N dna308 [1,1,0,0,0,0|0,0,2]=4 128 B14R2.1146 c1ccc2c(c1)cc(cc2C#N)O dna303 [1,1,0,0,0,0|0,0,2]=4 129 B14R2.1146 c1ccc2c(c1)cc(cc2C=O)Br dna441 [1,1,0,0,0,0|1,0,1]=4 130 B14R2.1146 c1ccc2c(c1)cc(cc2C=O)Cl dna173 [1,1,0,0,0,0|1,0,1]=4 131 B14R2.1146 c1ccc2c(c1)cc(cc2C=O)O dna311 [1,1,0,0,0,0|1,0,1]=4 132 B14R2.7150 c1cc2cccnc2c(c1)\C=N/N bc025vp1de6 [1,1,0,0,0,0|1,0,1]=4 133 B14R2.11635 COc1cccc2c1c(ccc2)Cl dna118 [1,1,0,0,0,0|2,0,0]=4 134 B14R2.11635 Cc1cccc2c1c(ccc2)C#N dna242 [1,1,0,0,0,0|0,0,2]=4 135 B14R2.11635 Cc1cccc2c1c(ccc2)OC dna190 [1,1,0,0,0,0|2,0,0]=4 136 B14R2.11635 c1cc2cccc(c2c(c1)C#N)Br dna307de9 [1,1,0,0,0,0|0,0,2]=4 137 B14R2.11635 c1cc2cccc(c2c(c1)C#N)Cl dna253 [1,1,0,0,0,0|0,0,2]=4 138 B14R2.11635 c1cc2cccc(c2c(c1)C#N)F dna087 [1,1,0,0,0,0|0,0,2]=4 139 B14R2.11635 c1cc2cccc(c2c(c1)C#N)I dna417 [1,1,0,0,0,0|0,0,2]=4 140 B14R2.11635 c1cc2cccc(c2c(c1)C#N)N dna108 [1,1,0,0,0,0|0,0,2]=4 141 B14R2.11635 c1cc2cccc(c2c(c1)C#N)O dna150 [1,1,0,0,0,0|0,0,2]=4 142 B14R2.11635 c1cc2cccc(c2c(c1)C=O)Br dna275 [1,1,0,0,0,0|1,0,1]=4 143 B14R2.11635 c1cc2cccc(c2c(c1)C=O)Cl dna389 [1,1,0,0,0,0|1,0,1]=4 144 B14R2.11635 c1cc2cccc(c2c(c1)C=O)I dna276 [1,1,0,0,0,0|1,0,1]=4 145 B14R2.11635 c1cc2cccc(c2c(c1)C=O)O dna090 [1,1,0,0,0,0|1,0,1]=4 146 B14R2.11684 COc1cccc2c1cc(cc2)Br dna084 [1,1,0,0,0,0|2,0,0]=4 147 B14R2.11684 COc1cccc2c1cc(cc2)Cl dna305 [1,1,0,0,0,0|2,0,0]=4 148 B14R2.11684 COc1cccc2c1cc(cc2)N dna319 [1,1,0,0,0,0|2,0,0]=4 149 B14R2.11684 Cc1ccc2cccc(c2c1)C#N dna111 [1,1,0,0,0,0|0,0,2]=4 150 B14R2.11684 Cc1ccc2cccc(c2c1)C=O dna208 [1,1,0,0,0,0|1,0,1]=4 151 B14R2.11684 c1cc2ccc(cc2c(c1)C=O)F dna272 [1,1,0,0,0,0|1,0,1]=4 152 B14R2.11684 c1cc2ccc(cc2c(c1)C=O)O dna404 [1,1,0,0,0,0|1,0,1]=4 153 B16R2.6148 c1ccc2c(c1)ccc(c2C#N)C(=O)O dna380 [0,2,0,0,0,0|0,0,2]=4 154 B14R2.21 c1ccc(cc1)c2cc(ccn2)O cdp079 [0,0,1,1,0,0|0,0,2]=4 155 B14R2.21 c1ccc(cc1)c2cc(cnc2)O cdp243 [0,0,1,1,0,0|2,0,0]=4 156 B14R2.1128 c1ccc2cc(c(cc2c1)C=O)N dna414 [0,0,1,1,0,0|0,0,2]=4 157 B14R2.24 c1ccc(cc1)c2c(cccn2)O cdp063 [0,0,1,1,0,0|2,0,0]=4 158 B14R3.164 c1cc2cccc3c2c(c1)SS3 f033fp3 [1,0,0,1,0,0|2,0,0]=4