0 B11R2.1 Cc1c[nH]c2c1cccn2 cin105vpfp4 [0,0,0,0,0,0|4,0,0]=4 1 B11R2.1 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 [0,0,0,0,0,0|2,0,2]=4 2 B11R2.1 c1cc2c(c(no2)N)nc1 cdp027vp1fp5 [0,0,0,0,0,0|2,0,0]=2 3 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [0,0,0,0,0,0|2,1,0]=3 4 B11R2.1 c1ccn2c(c1)ncc2I qe004 [0,0,0,0,0,0|4,0,0]=4 5 B11R2.1 c1cncc2c1C(=O)CO2 f002fp6 [0,0,0,0,0,0|2,0,1]=3 6 B11R2.1 c1cncc2c1C(CO2)O f002fp5 [0,0,0,0,0,0|2,0,1]=3 7 B11R2.1 c1cncc2c1c(=O)[nH]o2 f002fp1fp1 [0,0,0,0,0,0|1,0,2]=3 8 B11R2.1 c1cncc2c1c(n[nH]2)N ct051fp2 [0,0,0,0,0,0|3,0,0]=3 9 B10R2.7 c1c[nH]c2c1ccnc2 md013 [1,0,0,0,0,0|3,0,0]=4 10 B10R2.7 c1cc2c(cc[nH]2)nc1 md008 [1,0,0,0,0,0|3,0,0]=4 11 B10R2.7 c1ccc2cscc2c1 hs2-b024lit9 [1,0,0,0,0,0|2,0,0]=3 12 B10R2.7 c1ccn2cccc2c1 a240 [1,0,0,0,0,0|3,0,0]=4 13 B10R2.7 c1cncc2c1cco2 f002fp3 [1,0,0,0,0,0|2,0,0]=3 14 B12R2.1 CSc1nnc2n1cccc2 hs2-d006 [0,1,0,0,0,0|2,1,0]=4 15 B12R2.1 c1ccc2c(c1)C(CO2)CI cic043 [0,1,0,0,0,0|2,0,1]=4 16 B12R2.132 c1cc2c(cc1Cl)C(CO2)O rp211de25lit5 [0,1,0,0,0,0|1,0,1]=3 17 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Br md017fp06 [0,1,0,0,0,0|3,0,0]=4 18 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)Cl md017fp12 [0,1,0,0,0,0|3,0,0]=4 19 B12R2.132 c1cc2c(cc1Cl)c(c[nH]2)I md017fp07 [0,1,0,0,0,0|3,0,0]=4 20 B10R1.17 CN\N=C\c1ccccc1 jmc010 [0,0,1,0,0,0|3,0,0]=4 21 B10R1.17 c1ccc(cc1)C\C=N\O ab004 [0,0,1,0,0,0|3,0,0]=4 22 B10R1.20 COc1cccnc1C=O cia028de1 [0,0,1,0,0,0|2,0,1]=4 23 B10R1.20 COc1cccnc1CO cia028de2de2 [0,0,1,0,0,0|2,0,1]=4 24 B10R1.20 COc1cnccc1C=O cia028de2 [0,0,1,0,0,0|2,0,1]=4 25 B10R1.20 COc1cnccc1CO cia028de2vp1 [0,0,1,0,0,0|2,0,1]=4 26 B10R1.61 Cc1c(cccn1)C(=O)O cdp048 [0,0,1,0,0,0|3,0,0]=4 27 B10R1.61 Cc1cnccc1C(=O)O cdp263 [0,0,1,0,0,0|3,0,0]=4 28 B10R1.61 c1cc(c(nc1)C(=O)O)Br cdp045 [0,0,1,0,0,0|3,0,0]=4 29 B10R1.61 c1cc(c(nc1)C(=O)O)Cl cdp027 [0,0,1,0,0,0|3,0,0]=4 30 B10R1.61 c1cc(c(nc1)C(=O)O)F cdp006 [0,0,1,0,0,0|3,0,0]=4 31 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [0,0,1,0,0,0|3,0,0]=4 32 B10R1.61 c1cc(c(nc1)C(=O)O)S cdp157de1 [0,0,1,0,0,0|2,1,0]=4 33 B10R1.61 c1cc(c(nc1)F)C(=O)O cdp072 [0,0,1,0,0,0|3,0,0]=4 34 B10R1.61 c1cc(c(nc1)I)C(=O)O un202de1 [0,0,1,0,0,0|3,0,0]=4 35 B10R1.61 c1cncc(c1C(=O)O)Br ct051 [0,0,1,0,0,0|3,0,0]=4 36 B10R1.61 c1cncc(c1C(=O)O)F cdp252 [0,0,1,0,0,0|3,0,0]=4 37 B10R1.61 c1cncc(c1C(=O)O)N f002a [0,0,1,0,0,0|3,0,0]=4 38 B10R1.61 c1cncc(c1C(=O)O)O f002 [0,0,1,0,0,0|2,0,0]=3 39 B10R1.61 c1cncc(c1C(=O)O)S cdp157de8 [0,0,1,0,0,0|2,1,0]=4 40 B10R1.61 c1cncc(c1I)C(=O)O ct438 [0,0,1,0,0,0|3,0,0]=4 41 B10R1.61 c1cncc(c1N)C(=O)O cdp268 [0,0,1,0,0,0|3,0,0]=4 42 B10R1.61 c1cncc(c1O)C(=O)O ct342 [0,0,1,0,0,0|2,0,0]=3 43 B10R1.61 c1cncc(c1S)C(=O)O cdp157de5 [0,0,1,0,0,0|2,1,0]=4 44 B12R2.24 c1cc2c(cc(cn2)O)nc1 ct009de2 [0,0,0,0,0,1|3,0,0]=4 45 B12R2.24 c1cc2c(ccc(n2)O)nc1 ct009de1 [0,0,0,0,0,1|3,0,0]=4 46 B12R2.24 c1cc2ccc(cc2nc1)O tj006vp1 [0,0,0,0,0,1|3,0,0]=4 47 B12R2.24 c1ccc2c(c1)cc(cn2)Cl qn056 [0,0,0,0,0,1|3,0,0]=4 48 B12R2.24 c1ccc2c(c1)cc(cn2)F qn055 [0,0,0,0,0,1|3,0,0]=4 49 B12R2.24 c1ccc2c(c1)cc(cn2)I fpzz0101fp1 [0,0,0,0,0,1|3,0,0]=4 50 B12R2.24 c1ccc2c(c1)cc(cn2)O a084 [0,0,0,0,0,1|2,0,0]=3 51 B12R2.24 c1ccc2c(c1)cc(cn2)S fpzz0101fp2 [0,0,0,0,0,1|2,1,0]=4 52 B12R2.24 c1ccc2c(c1)ccc(n2)Br ct318 [0,0,0,0,0,1|3,0,0]=4 53 B12R2.24 c1ccc2c(c1)ccc(n2)F qn052 [0,0,0,0,0,1|3,0,0]=4 54 B12R2.24 c1ccc2c(c1)ncc(n2)Cl ct256vp [0,0,0,0,0,1|3,0,0]=4 55 B12R2.24 c1ccc2c(c1)ncc(n2)F ct256vpfp2 [0,0,0,0,0,1|3,0,0]=4 56 B12R2.24 c1ccc2c(c1)ncc(n2)I ct256vpfp1 [0,0,0,0,0,1|3,0,0]=4 57 B12R2.24 c1ccc2c(c1)ncc(n2)N ct256 [0,0,0,0,0,1|3,0,0]=4 58 B12R2.24 c1ccc2cnc(cc2c1)Br ct095 [0,0,0,0,0,1|2,0,0]=3 59 B12R2.24 c1ccc2cnc(cc2c1)N cdp104de5 [0,0,0,0,0,1|2,0,0]=3 60 B12R2.1081 c1cc2c(c(ccn2)O)nc1 ct009 [0,0,0,0,0,1|3,0,0]=4 61 B12R2.1081 c1cc2ccnc(c2nc1)N a041 [0,0,0,0,0,1|3,0,0]=4 62 B12R2.1081 c1ccc2c(c1)c(ccn2)F qn053 [0,0,0,0,0,1|3,0,0]=4 63 B12R2.1081 c1ccc2c(c1)ccnc2N cdp104de4 [0,0,0,0,0,1|2,0,0]=3 64 B12R2.1081 c1ccc2c(c1)cn[nH]c2=S ct407 [0,0,0,0,0,1|1,1,0]=3 65 B12R2.1081 c1ccc2c(c1)cncc2I fpzz0409fp6 [0,0,0,0,0,1|2,0,0]=3 66 B12R2.1081 c1ccc2c(c1)cncc2O fpzz0409fp5 [0,0,0,0,0,1|1,0,0]=2 67 B12R2.1081 c1cncc2c1c(=O)nc[nH]2 f002afp6 [0,0,0,0,0,1|2,0,1]=4 68 B9R1.6 B(c1ccccn1)(O)O un097 [1,0,1,0,0,0|2,0,0]=4 69 B9R1.8 c1ccc(cc1)\C=N\N un308 [1,0,1,0,0,0|1,0,0]=3 70 B9R1.15 COc1ccncc1O rp265 [1,0,1,0,0,0|2,0,0]=4 71 B9R1.15 c1cncc(c1C=O)O cia038 [1,0,1,0,0,0|1,0,1]=4 72 B9R1.15 c1cncc(c1CO)O f002fp1fp3 [1,0,1,0,0,0|1,0,1]=4 73 B9R1.15 c1cncc(c1O)C=O rp183 [1,0,1,0,0,0|1,0,1]=4 74 B9R1.15 c1cncc(c1O)CO f002fp1fp3de1 [1,0,1,0,0,0|1,0,1]=4 75 B11R1.36 C=C(c1ccccc1)C(=O)O f066 [0,1,1,0,0,0|2,0,0]=4 76 B11R1.53 COc1ccncc1C(=O)O ct342lit1 [0,1,1,0,0,0|2,0,0]=4 77 B11R1.53 COc1cnccc1C(=O)O cia028de2np1 [0,1,1,0,0,0|2,0,0]=4 78 B11R1.156 c1cnc(c(c1Cl)C(=O)O)O un236 [0,1,1,0,0,0|2,0,0]=4 79 B11R1.156 c1cnc(c(c1N)C(=O)O)O un237 [0,1,1,0,0,0|2,0,0]=4 80 B11R1.166 c1cc(nc(c1C(=O)O)O)N cdp194fp6 [0,1,1,0,0,0|2,0,0]=4 81 B11R2.10 Cc1cc2ccncc2o1 f002fp4 [1,1,0,0,0,0|2,0,0]=4 82 B11R2.36 Cc1ccc2c(c1)cco2 un058de5 [1,1,0,0,0,0|1,0,0]=3 83 B11R2.36 Cc1ccc2ccoc2c1 un058de9 [1,1,0,0,0,0|1,0,0]=3 84 B11R2.36 c1cc(cc2c1cc[nH]2)N md003 [1,1,0,0,0,0|2,0,0]=4 85 B11R2.36 c1cc(cc2c1cco2)O un058de10 [1,1,0,0,0,0|1,0,0]=3 86 B11R2.36 c1cc2c(cc[nH]2)cc1Cl md017 [1,1,0,0,0,0|2,0,0]=4 87 B11R2.36 c1cc2c(cco2)cc1Cl un058de6 [1,1,0,0,0,0|1,0,0]=3 88 B11R2.36 c1cc2c(cco2)cc1O un058de7 [1,1,0,0,0,0|1,0,0]=3 89 B11R2.106 Cc1cccc2c1cn[nH]2 ct453 [1,1,0,0,0,0|1,0,0]=3 90 B11R2.106 c1cc(c2ccoc2c1)O a073fp2 [1,1,0,0,0,0|1,0,0]=3 91 B11R2.106 c1cc2c(cc[nH]2)c(c1)O md016 [1,1,0,0,0,0|2,0,0]=4 92 B11R2.106 c1cc2ccoc2c(c1)O un058 [1,1,0,0,0,0|1,0,0]=3 93 B13R2.32 Cc1c(c2ccccc2cn1)Br un241 [0,1,0,0,0,1|2,0,0]=4 94 B13R2.32 Cc1c(c2ccccc2cn1)I un245 [0,1,0,0,0,1|2,0,0]=4 95 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Br a004vp2de6 [0,1,0,0,0,1|2,0,0]=4 96 B13R2.32 c1ccc2c(c1)c(c(cn2)O)Cl a004vp2de5 [0,1,0,0,0,1|2,0,0]=4 97 B13R2.32 c1ccc2c(c1)ccc(c2F)O dna131 [0,1,0,0,0,1|2,0,0]=4 98 B13R2.32 c1ccc2c(c1)cnc(c2F)O un247 [0,1,0,0,0,1|1,0,0]=3 99 B13R2.57 COc1cnc2ccccc2n1 ct256vpfp3 [0,1,0,0,0,1|2,0,0]=4 100 B13R2.155 c1cc(cc2c1ccc(c2)Cl)O dna113 [0,1,0,0,0,1|2,0,0]=4 101 B13R2.155 c1cc(cc2c1ccc(c2)F)O dna483 [0,1,0,0,0,1|2,0,0]=4 102 B13R2.155 c1cc(cc2c1ccc(c2)I)O dna382 [0,1,0,0,0,1|2,0,0]=4 103 B13R2.155 c1cc2cnc(nc2cc1Br)N a095de5 [0,1,0,0,0,1|2,0,0]=4 104 B13R2.155 c1cc2cnc(nc2cc1Cl)N a095de4 [0,1,0,0,0,1|2,0,0]=4 105 B13R2.155 c1cc2cnc(nc2cc1F)N a095de3 [0,1,0,0,0,1|2,0,0]=4 106 B13R2.162 Cc1cccc2c1cc(cc2)O dna016 [0,1,0,0,0,1|2,0,0]=4 107 B13R2.162 c1cc2ccc(cc2c(c1)Cl)O dna073 [0,1,0,0,0,1|2,0,0]=4 108 B13R2.162 c1cc2ccc(cc2c(c1)I)O dna074 [0,1,0,0,0,1|2,0,0]=4 109 B13R2.328 Cc1cc(cc2c1cccc2)O dna055 [0,1,0,0,0,1|2,0,0]=4 110 B13R2.328 c1ccc2c(c1)c(cc(n2)O)Cl qn014 [0,1,0,0,0,1|2,0,0]=4 111 B13R2.328 c1ccc2c(c1)cc(c[n+]2[O-])O a084lit1 [0,1,0,0,0,1|2,0,0]=4 112 B13R2.328 c1ccc2c(c1)cc(cc2Br)O dna100lit1 [0,1,0,0,0,1|2,0,0]=4 113 B13R2.328 c1ccc2c(c1)cc(cc2Cl)O dna263 [0,1,0,0,0,1|2,0,0]=4 114 B13R2.328 c1ccc2c(c1)cc(cc2I)O dna291 [0,1,0,0,0,1|2,0,0]=4 115 B13R2.328 c1ccc2c(c1)cc(cc2N)O dna295 [0,1,0,0,0,1|2,0,0]=4 116 B13R2.328 c1ccc2c(c1)cc(nc2Br)Br ct095vp1fp3 [0,1,0,0,0,1|2,0,0]=4 117 B13R2.369 c1ccc2c(c1)cc(c(=O)[nH]2)O qn068 [0,1,0,0,0,1|2,0,0]=4 118 B13R2.369 c1ccc2c(c1)cc(c(n2)O)F qn055lit3 [0,1,0,0,0,1|2,0,0]=4 119 B13R2.369 c1ccc2cc(c(cc2c1)O)Cl dna154 [0,1,0,0,0,1|2,0,0]=4 120 B13R2.369 c1ccc2cc(c(cc2c1)O)I dna347 [0,1,0,0,0,1|2,0,0]=4 121 B13R2.3683 Cc1ccc2c(c1)cnc(n2)N a094 [0,1,0,0,0,1|2,0,0]=4 122 B13R2.3683 c1cc(cc2c1cc(cc2)Cl)O dna114 [0,1,0,0,0,1|2,0,0]=4 123 B13R2.3683 c1cc(cc2c1cc(cc2)I)O dna327 [0,1,0,0,0,1|2,0,0]=4 124 B13R2.3683 c1cc2c(cc1Br)cnc(n2)N a095 [0,1,0,0,0,1|2,0,0]=4 125 B13R2.5179 Cc1cccc2c1ccc(c2)O dna218 [0,1,0,0,0,1|2,0,0]=4 126 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)Cl a095de1 [0,1,0,0,0,1|2,0,0]=4 127 B13R2.5179 c1cc2c(cnc(n2)N)c(c1)F a095de2 [0,1,0,0,0,1|2,0,0]=4 128 B13R2.5179 c1cc2cc(ccc2c(c1)Br)O dna373 [0,1,0,0,0,1|2,0,0]=4 129 B13R2.5179 c1cc2cc(ccc2c(c1)Cl)O dna375 [0,1,0,0,0,1|2,0,0]=4 130 B13R2.5179 c1cc2cc(ccc2c(c1)F)O dna473 [0,1,0,0,0,1|2,0,0]=4 131 B13R2.5179 c1cc2cc(ccc2c(c1)I)O dna384 [0,1,0,0,0,1|2,0,0]=4 132 B13R2.342 c1cc2c(c(c1)O)[nH]cnc2=O f008ade4 [0,1,0,0,0,1|1,0,1]=4 133 B13R2.342 c1cc2c(cccc2Cl)c(c1)O dna032 [0,1,0,0,0,1|2,0,0]=4 134 B13R2.371 Cc1c2ccccc2c(cn1)Br ct070fp1 [0,1,0,0,0,1|2,0,0]=4 135 B13R2.371 Cc1c2ccccc2c(cn1)N ct070fp2 [0,1,0,0,0,1|2,0,0]=4 136 B13R2.371 c1ccc2c(c1)c(ccc2F)O qe006 [0,1,0,0,0,1|2,0,0]=4 137 B13R2.371 c1ccc2c(c1)c(ccc2I)O dna364 [0,1,0,0,0,1|2,0,0]=4 138 B13R2.371 c1ccc2c(c1)c(cnc2Cl)Br ct070 [0,1,0,0,0,1|2,0,0]=4 139 B13R2.1613 c1ccc2c(c1)cncc2C#N fpzz0409fp1 [0,1,0,0,0,1|2,0,0]=4 140 B13R2.1613 c1ccc2c(c1)cncc2C=O fpzz0409fp4 [0,1,0,0,0,1|1,0,1]=4 141 B13R2.4818 Cc1cccc2c1c(ccc2)O dna081 [0,1,0,0,0,1|2,0,0]=4 142 B13R2.4818 c1cc(c2c(c1)ncnc2O)N f008de2 [0,1,0,0,0,1|1,0,0]=3 143 B13R2.4818 c1cc2cccc(c2c(c1)O)Br dna200 [0,1,0,0,0,1|2,0,0]=4 144 B13R2.4818 c1cc2cccc(c2c(c1)O)Cl dna214 [0,1,0,0,0,1|2,0,0]=4 145 B13R2.4818 c1cc2cccc(c2c(c1)O)F dna447 [0,1,0,0,0,1|2,0,0]=4 146 B13R2.2136 c1cc2c(cc1Cl)c(c[nH]2)CO md017fp21 [0,2,0,0,0,0|2,0,0]=4