0 B10R1.61 CC(=O)c1c(cccn1)Cl cdp027vp1fp1 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.61 CN(C)c1c(cccn1)O cdp005fp1 [0,0,0,0,0,0|4,0,0]=4 2 B10R1.61 Cc1c(cccn1)C(=O)O cdp048 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.61 Cc1cccnc1[N+](=O)[O-] cdp051 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.61 Cc1cnccc1C(=O)C cdp263fp2 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.61 Cc1cnccc1C(=O)N cin074 [0,0,0,0,0,0|2,0,0]=2 6 B10R1.61 Cc1cnccc1C(=O)O cdp263 [0,0,0,0,0,0|3,0,0]=3 7 B10R1.61 Cc1cnccc1[N+](=O)[O-] cdp255 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] cdp049 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.61 c1cc(c(nc1)C(=O)N)Cl cdp104vp1de8 [0,0,0,0,0,0|2,0,0]=2 10 B10R1.61 c1cc(c(nc1)C(=O)N)F cdp006fp1 [0,0,0,0,0,0|2,0,0]=2 11 B10R1.61 c1cc(c(nc1)C(=O)O)Br cdp045 [0,0,0,0,0,0|3,0,0]=3 12 B10R1.61 c1cc(c(nc1)C(=O)O)Cl cdp027 [0,0,0,0,0,0|3,0,0]=3 13 B10R1.61 c1cc(c(nc1)C(=O)O)F cdp006 [0,0,0,0,0,0|3,0,0]=3 14 B10R1.61 c1cc(c(nc1)C(=O)O)N ct255 [0,0,0,0,0,0|3,0,0]=3 15 B10R1.61 c1cc(c(nc1)C(=O)O)S cdp157de1 [0,0,0,0,0,0|2,1,0]=3 16 B10R1.61 c1cc(c(nc1)Cl)[N+](=O)[O-] cdp038 [0,0,0,0,0,0|4,0,0]=4 17 B10R1.61 c1cc(c(nc1)F)C(=O)O cdp072 [0,0,0,0,0,0|3,0,0]=3 18 B10R1.61 c1cc(c(nc1)F)[N+](=O)[O-] cdp070 [0,0,0,0,0,0|4,0,0]=4 19 B10R1.61 c1cc(c(nc1)I)C(=O)O un202de1 [0,0,0,0,0,0|3,0,0]=3 20 B10R1.61 c1cc(c(nc1)I)[N+](=O)[O-] rp226 [0,0,0,0,0,0|4,0,0]=4 21 B10R1.61 c1cc(c(nc1)O)[N+](=O)[O-] cdp007 [0,0,0,0,0,0|3,0,0]=3 22 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Br cdp032 [0,0,0,0,0,0|4,0,0]=4 23 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])Cl cdp033 [0,0,0,0,0,0|4,0,0]=4 24 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])I cdp057fp1 [0,0,0,0,0,0|4,0,0]=4 25 B10R1.61 c1cc(c(nc1)[N+](=O)[O-])N cdp057 [0,0,0,0,0,0|4,0,0]=4 26 B10R1.61 c1cncc(c1C(=O)N)Br ct051fp1 [0,0,0,0,0,0|2,0,0]=2 27 B10R1.61 c1cncc(c1C(=O)N)Cl cdp104vp1de12 [0,0,0,0,0,0|2,0,0]=2 28 B10R1.61 c1cncc(c1C(=O)O)Br ct051 [0,0,0,0,0,0|3,0,0]=3 29 B10R1.61 c1cncc(c1C(=O)O)F cdp252 [0,0,0,0,0,0|3,0,0]=3 30 B10R1.61 c1cncc(c1C(=O)O)N f002a [0,0,0,0,0,0|3,0,0]=3 31 B10R1.61 c1cncc(c1C(=O)O)O f002 [0,0,0,0,0,0|2,0,0]=2 32 B10R1.61 c1cncc(c1C(=O)O)S cdp157de8 [0,0,0,0,0,0|2,1,0]=3 33 B10R1.61 c1cncc(c1Cl)C(=O)N cdp104vp1de10 [0,0,0,0,0,0|2,0,0]=2 34 B10R1.61 c1cncc(c1I)C(=O)O ct438 [0,0,0,0,0,0|3,0,0]=3 35 B10R1.61 c1cncc(c1N)C(=O)O cdp268 [0,0,0,0,0,0|3,0,0]=3 36 B10R1.61 c1cncc(c1N)[N+](=O)[O-] cdp256 [0,0,0,0,0,0|4,0,0]=4 37 B10R1.61 c1cncc(c1O)C(=O)O ct342 [0,0,0,0,0,0|2,0,0]=2 38 B10R1.61 c1cncc(c1S)C(=O)O cdp157de5 [0,0,0,0,0,0|2,1,0]=3 39 B10R1.61 c1cncc(c1[N+](=O)[O-])Cl cdp273 [0,0,0,0,0,0|4,0,0]=4 40 B10R1.61 c1cncc(c1[N+](=O)[O-])N cdp276 [0,0,0,0,0,0|4,0,0]=4 41 B10R1.61 c1cncc(c1[N+](=O)[O-])O cdp275 [0,0,0,0,0,0|3,0,0]=3 42 B9R1.6 CS(=O)c1ccccn1 ct006vp1fp4 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.6 CS(=O)c1ccncc1 bio026 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.6 c1cc(nnc1)C(=O)O a065 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.15 CCc1cccnc1O a006de13 [1,0,0,0,0,0|2,0,1]=4 46 B9R1.15 COc1ccncc1O rp265 [1,0,0,0,0,0|3,0,0]=4 47 B9R1.15 Cc1ccncc1C=O ct051vp1fp3 [1,0,0,0,0,0|2,0,0]=3 48 B9R1.15 Cc1cnccc1C=O cia026 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.15 c1cc(c(nc1)C=O)Cl un125de1 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.15 c1cc(c(nc1)C=O)N ct255fp3fp9 [1,0,0,0,0,0|2,0,0]=3 51 B9R1.15 c1cc(c(nc1)CN)Cl cdp027vp1fp2 [1,0,0,0,0,0|2,0,1]=4 52 B9R1.15 c1cncc(c1Br)C=O cia024de4 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.15 c1cncc(c1C=O)Cl cia027 [1,0,0,0,0,0|2,0,0]=3 54 B9R1.15 c1cncc(c1C=O)F cia035 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.15 c1cncc(c1C=O)N cia033 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.15 c1cncc(c1C=O)O cia038 [1,0,0,0,0,0|1,0,0]=2 57 B9R1.15 c1cncc(c1CO)O f002fp1fp3 [1,0,0,0,0,0|1,0,2]=4 58 B9R1.15 c1cncc(c1O)C=O rp183 [1,0,0,0,0,0|1,0,0]=2 59 B9R1.15 c1cncc(c1O)CO f002fp1fp3de1 [1,0,0,0,0,0|1,0,2]=4 60 B11R1.53 COc1ccncc1C(=O)O ct342lit1 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.53 COc1cnccc1C(=O)O cia028de2np1 [0,1,0,0,0,0|2,0,0]=3 62 B11R1.53 c1cc(c(nc1)C(=O)O)C#N cin119de1 [0,1,0,0,0,0|3,0,0]=4 63 B11R1.53 c1cc(c(nc1)NN)C(=O)O a252vp1de1 [0,1,0,0,0,0|3,0,0]=4 64 B11R1.87 Cc1c(cccn1)S(=O)(=O)N ct044fp2de21 [0,1,0,0,0,0|3,0,0]=4 65 B11R1.87 Cc1cccnc1S(=O)(=O)N cdp003fp1 [0,1,0,0,0,0|3,0,0]=4 66 B11R1.87 Cc1ccncc1S(=O)(=O)N ct044fp1de1 [0,1,0,0,0,0|3,0,0]=4 67 B11R1.87 Cc1cnccc1S(=O)(=O)N ct044fp2de25 [0,1,0,0,0,0|3,0,0]=4 68 B11R1.87 c1cc(c(nc1)Cl)S(=O)(=O)N ct044fp2de17 [0,1,0,0,0,0|3,0,0]=4 69 B11R1.87 c1cc(c(nc1)O)S(=O)(=O)O cdp058 [0,1,0,0,0,0|3,0,0]=4 70 B11R1.87 c1cc(c(nc1)S(=O)(=O)O)O cdp019 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.87 c1ccc(c(c1)O)S(=O)(=O)[O-] un150de11 [0,1,0,0,0,0|2,0,0]=3 72 B11R1.156 CC(=O)c1c(cncc1Br)F a114fp5 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.156 Cc1c(c(ccn1)O)[N+](=O)[O-] cdp316fp10 [0,1,0,0,0,0|3,0,0]=4 74 B11R1.156 Cc1cncc(c1C(=O)O)C rp036 [0,1,0,0,0,0|3,0,0]=4 75 B11R1.156 c1c(c(c(cn1)Br)C(=O)O)F a114fp8 [0,1,0,0,0,0|3,0,0]=4 76 B11R1.156 c1cnc(c(c1Cl)C(=O)O)F cdp118fp2 [0,1,0,0,0,0|3,0,0]=4 77 B11R1.156 c1cnc(c(c1Cl)C(=O)O)O un236 [0,1,0,0,0,0|2,0,0]=3 78 B11R1.156 c1cnc(c(c1N)C(=O)O)O un237 [0,1,0,0,0,0|2,0,0]=3 79 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])Br cdp119fp7 [0,1,0,0,0,0|3,0,0]=4 80 B11R1.156 c1cnc(c(c1O)[N+](=O)[O-])N cdp104fp6de34 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.159 Cc1c(c(ccn1)C(=O)O)N cin106de3 [0,1,0,0,0,0|3,0,0]=4 82 B11R1.159 Cc1ccnc(c1O)[N+](=O)[O-] cdp254fp1 [0,1,0,0,0,0|3,0,0]=4 83 B11R1.159 Cc1cncc(c1C)C(=O)O ct077de4 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.159 Cc1cncc(c1O)[N+](=O)[O-] cdp316fp10de3 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.159 c1c(c(c(cn1)Br)I)C(=O)O cdp240vp1fp3 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.159 c1c(c(c(cn1)Br)N)C(=O)O cdp268fp3 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.159 c1c(c(c(cn1)Cl)O)[N+](=O)[O-] rp113 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.159 c1c(c(c(cn1)N)N)C(=O)O dap036 [0,1,0,0,0,0|3,0,0]=4 89 B11R1.159 c1cnc(c(c1C(=O)N)N)Cl cin017 [0,1,0,0,0,0|2,0,0]=3 90 B11R1.159 c1cnc(c(c1C(=O)O)Br)O cdp236vp3de4 [0,1,0,0,0,0|3,0,0]=4 91 B11R1.159 c1cnc(c(c1C(=O)O)Cl)Cl cin105 [0,1,0,0,0,0|3,0,0]=4 92 B11R1.159 c1cnc(c(c1C(=O)O)Cl)F rp022 [0,1,0,0,0,0|3,0,0]=4 93 B11R1.159 c1cnc(c(c1C(=O)O)F)F rp011 [0,1,0,0,0,0|3,0,0]=4 94 B11R1.159 c1cnc(c(c1C(=O)O)N)Cl cin106de5 [0,1,0,0,0,0|3,0,0]=4 95 B11R1.166 Cc1c(ccc(n1)N)C(=O)O rp107 [0,1,0,0,0,0|3,0,0]=4 96 B11R1.166 Cc1c[n+](ccc1C(=O)O)[O-] cdp263fp6 [0,1,0,0,0,0|3,0,0]=4 97 B11R1.166 Cc1cc(c(nc1)C(=O)O)C cdp147de2 [0,1,0,0,0,0|3,0,0]=4 98 B11R1.166 Cc1cc(c(nc1)[N+](=O)[O-])O cdp244fp2 [0,1,0,0,0,0|3,0,0]=4 99 B11R1.166 Cc1cc(ncc1C(=O)O)C ct077 [0,1,0,0,0,0|3,0,0]=4 100 B11R1.166 c1c(c(cnc1Br)C(=O)O)Br ct010vp1fp2fp1 [0,1,0,0,0,0|3,0,0]=4 101 B11R1.166 c1c(c(cnc1Br)[N+](=O)[O-])O cdp119fp8 [0,1,0,0,0,0|3,0,0]=4 102 B11R1.166 c1c(c(cnc1Cl)C(=O)O)Cl ct365 [0,1,0,0,0,0|3,0,0]=4 103 B11R1.166 c1c(c(cnc1N)[N+](=O)[O-])O cdp104fp6de35 [0,1,0,0,0,0|3,0,0]=4 104 B11R1.166 c1c(cnc(c1Br)C(=O)O)Br pic009 [0,1,0,0,0,0|3,0,0]=4 105 B11R1.166 c1c(cnc(c1Cl)C(=O)O)Cl cdp108de4 [0,1,0,0,0,0|3,0,0]=4 106 B11R1.166 c1cc(c(cc1Br)O)[N+](=O)[O-] a257 [0,1,0,0,0,0|2,0,0]=3 107 B11R1.166 c1cc(nc(c1C(=O)O)O)N cdp194fp6 [0,1,0,0,0,0|2,0,0]=3 108 B11R1.167 Cc1cc(c(cn1)N)C(=O)O cin106de4 [0,1,0,0,0,0|3,0,0]=4 109 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O rp124 [0,1,0,0,0,0|3,0,0]=4 110 B11R1.167 Cc1cc(c(nc1)F)C(=O)O un206 [0,1,0,0,0,0|3,0,0]=4 111 B11R1.167 Cc1ccc(c(n1)C(=O)O)Cl rp211de40 [0,1,0,0,0,0|3,0,0]=4 112 B11R1.167 Cc1ccc(c(n1)C(=O)O)I rp211de7 [0,1,0,0,0,0|3,0,0]=4 113 B11R1.167 c1c(c(cnc1F)F)C(=O)O rp151 [0,1,0,0,0,0|3,0,0]=4 114 B11R1.167 c1c(cnc(c1C(=O)O)F)F rp010 [0,1,0,0,0,0|3,0,0]=4 115 B11R1.167 c1c(cnc(c1C(=O)O)N)Cl un204 [0,1,0,0,0,0|3,0,0]=4 116 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Br rp045 [0,1,0,0,0,0|3,0,0]=4 117 B11R1.167 c1cc(nc(c1O)[N+](=O)[O-])Cl rp102 [0,1,0,0,0,0|3,0,0]=4 118 B11R1.222 COC(=O)c1c(cccn1)Cl cdp027fp1 [0,1,0,0,0,0|3,0,0]=4 119 B11R1.222 COC(=O)c1c(cccn1)F cdp006fp2 [0,1,0,0,0,0|3,0,0]=4 120 B11R1.222 COC(=O)c1c(cccn1)I ct255fp8 [0,1,0,0,0,0|3,0,0]=4 121 B11R1.222 COC(=O)c1c(cccn1)N ct255fp3 [0,1,0,0,0,0|3,0,0]=4 122 B11R1.222 COC(=O)c1ccncc1Br ct051de1 [0,1,0,0,0,0|3,0,0]=4 123 B11R1.222 COC(=O)c1ccncc1Cl cdp302fp1 [0,1,0,0,0,0|3,0,0]=4 124 B11R1.222 COC(=O)c1ccncc1F cdp263fp1de2 [0,1,0,0,0,0|3,0,0]=4 125 B11R1.222 COC(=O)c1ccncc1I cin101 [0,1,0,0,0,0|3,0,0]=4 126 B11R1.222 COC(=O)c1ccncc1N f002de1 [0,1,0,0,0,0|3,0,0]=4 127 B11R1.222 COC(=O)c1ccncc1O f002fp1 [0,1,0,0,0,0|2,0,0]=3 128 B11R1.222 COC(=O)c1cnccc1Br cdp282fp1 [0,1,0,0,0,0|3,0,0]=4 129 B11R1.222 COC(=O)c1cnccc1Cl cdp270fp1 [0,1,0,0,0,0|3,0,0]=4 130 B11R1.222 COC(=O)c1cnccc1I ct255fp8de3 [0,1,0,0,0,0|3,0,0]=4 131 B11R1.222 Cc1cnccc1C(=O)OC cdp263fp1 [0,1,0,0,0,0|3,0,0]=4 132 B11R2.1 c1cc2c(c(=O)[nH][nH]2)nc1 ct255fp6 [0,0,0,1,0,0|2,0,0]=3 133 B11R2.1 c1cc2c(c(no2)N)nc1 cdp027vp1fp5 [0,0,0,1,0,0|2,0,0]=3 134 B11R2.1 c1ccc2c(c1)c(cs2)N un070de6 [0,0,0,1,0,0|1,1,0]=3 135 B11R2.1 c1cncc2c1C(=O)CO2 f002fp6 [0,0,0,1,0,0|2,0,0]=3 136 B11R2.1 c1cncc2c1c(=O)[nH]o2 f002fp1fp1 [0,0,0,1,0,0|1,0,0]=2 137 B11R2.1 c1cncc2c1c(n[nH]2)N ct051fp2 [0,0,0,1,0,0|3,0,0]=4 138 B11R1.86 CC(=O)Nc1c(cccn1)Cl cdp036fp8 [0,0,0,0,0,1|3,0,0]=4 139 B8R1.2 c1ccc(cc1)CI a245 [2,0,0,0,0,0|1,0,1]=4 140 B8R1.2 c1cncnc1C=O a249 [2,0,0,0,0,0|2,0,0]=4 141 B8R1.5 Cc1ccncc1O cdp254 [2,0,0,0,0,0|1,0,1]=4 142 B8R1.5 Cc1cnccc1N cdp257 [2,0,0,0,0,0|2,0,0]=4 143 B8R1.5 Cc1cnccc1O cdp287 [2,0,0,0,0,0|1,0,1]=4 144 B8R1.5 c1cc(c(nc1)Br)N cdp035 [2,0,0,0,0,0|2,0,0]=4 145 B8R1.5 c1cc(c(nc1)F)N cdp067 [2,0,0,0,0,0|2,0,0]=4 146 B8R1.5 c1cc(c(nc1)F)O cdp005 [2,0,0,0,0,0|2,0,0]=4 147 B8R1.5 c1cc(c(nc1)N)Cl cdp036 [2,0,0,0,0,0|2,0,0]=4 148 B8R1.5 c1cc(c(nc1)N)F cdp047 [2,0,0,0,0,0|2,0,0]=4 149 B8R1.5 c1cc(c(nc1)O)Br cdp055 [2,0,0,0,0,0|2,0,0]=4 150 B8R1.5 c1cc(c(nc1)O)Cl cdp056 [2,0,0,0,0,0|2,0,0]=4 151 B8R1.5 c1cc(c(nc1)O)F cdp068 [2,0,0,0,0,0|2,0,0]=4 152 B8R1.5 c1cc(c(nc1)O)I a006de6 [2,0,0,0,0,0|2,0,0]=4 153 B8R1.5 c1cc(c(nc1)O)N cdp026 [2,0,0,0,0,0|1,0,0]=3 154 B8R1.5 c1cc(c(nc1)O)O cdp021 [2,0,0,0,0,0|1,0,1]=4 155 B8R1.5 c1cncc(c1Cl)O a004 [2,0,0,0,0,0|2,0,0]=4 156 B8R1.5 c1cncc(c1F)O un190 [2,0,0,0,0,0|2,0,0]=4 157 B8R1.5 c1cncc(c1N)Cl cdp285 [2,0,0,0,0,0|2,0,0]=4 158 B8R1.5 c1cncc(c1N)F cdp259 [2,0,0,0,0,0|2,0,0]=4 159 B8R1.5 c1cncc(c1N)O un005 [2,0,0,0,0,0|1,0,0]=3 160 B8R1.5 c1cncc(c1O)Cl cdp303 [2,0,0,0,0,0|2,0,0]=4 161 B8R1.5 c1cncc(c1O)F cdp288 [2,0,0,0,0,0|2,0,0]=4 162 B8R1.5 c1cncc(c1O)O cdp271 [2,0,0,0,0,0|1,0,1]=4 163 B10R1.13 Cc1ccc(nc1)C(=O)N cdp147fp1 [1,1,0,0,0,0|1,0,0]=3 164 B10R1.13 Cc1ccc(nc1)C(=O)O cdp147 [1,1,0,0,0,0|2,0,0]=4 165 B10R1.13 c1c[n+](ccc1C(=O)O)[O-] un178 [1,1,0,0,0,0|2,0,0]=4 166 B10R1.13 c1cc(ncc1C(=O)O)Br ct055 [1,1,0,0,0,0|2,0,0]=4 167 B10R1.13 c1cc(ncc1C(=O)O)F cdp137 [1,1,0,0,0,0|2,0,0]=4 168 B10R1.13 c1cc(ncc1C(=O)O)I un202 [1,1,0,0,0,0|2,0,0]=4 169 B10R1.13 c1cc(ncc1Cl)C(=O)N cdp104vp1de13 [1,1,0,0,0,0|1,0,0]=3 170 B10R1.13 c1cc(ncc1F)C(=O)N cdp187fp8 [1,1,0,0,0,0|1,0,0]=3 171 B10R1.13 c1cc(ncc1F)C(=O)O cdp187 [1,1,0,0,0,0|2,0,0]=4 172 B10R1.13 c1cc(ncc1I)C(=O)O cdp165de1 [1,1,0,0,0,0|2,0,0]=4 173 B10R1.13 c1cc(ncc1N)C(=O)O ct083 [1,1,0,0,0,0|2,0,0]=4 174 B10R1.13 c1cc(ncc1O)C(=O)O ct074 [1,1,0,0,0,0|2,0,0]=4 175 B10R1.13 c1cc(ncc1S)C(=O)O cdp157de3 [1,1,0,0,0,0|2,0,0]=4 176 B10R1.15 c1cc(cnc1)C(=O)C=O wh081de2 [1,1,0,0,0,0|2,0,0]=4 177 B10R1.15 c1ccnc(c1)C(=O)C=O wh081de3 [1,1,0,0,0,0|2,0,0]=4 178 B10R1.15 c1cnccc1C(=O)C=O wh081de8 [1,1,0,0,0,0|2,0,0]=4 179 B10R1.28 c1cc(cnc1)S(=O)(=O)N ct044fp2de16 [1,1,0,0,0,0|2,0,0]=4 180 B10R1.113 CC(=O)c1cc(ccn1)Br cdp113fp9 [1,1,0,0,0,0|2,0,0]=4 181 B10R1.113 Cc1cc(ccn1)C(=O)N cdp082fp3 [1,1,0,0,0,0|1,0,0]=3 182 B10R1.113 Cc1cc(ccn1)C(=O)O cdp082 [1,1,0,0,0,0|2,0,0]=4 183 B10R1.113 Cc1cc(cnc1)C(=O)N cdp225de1 [1,1,0,0,0,0|1,0,0]=3 184 B10R1.113 Cc1cc(cnc1)C(=O)O cdp225 [1,1,0,0,0,0|2,0,0]=4 185 B10R1.113 Cc1ccnc(c1)C(=O)N cdp081fp3 [1,1,0,0,0,0|1,0,0]=3 186 B10R1.113 Cc1ccnc(c1)C(=O)O cdp081 [1,1,0,0,0,0|2,0,0]=4 187 B10R1.113 c1c(cncc1Br)C(=O)O cdp240vp1 [1,1,0,0,0,0|2,0,0]=4 188 B10R1.113 c1c(cncc1Cl)C(=O)N cdp104vp1de11 [1,1,0,0,0,0|1,0,0]=3 189 B10R1.113 c1c(cncc1Cl)C(=O)O ct036 [1,1,0,0,0,0|2,0,0]=4 190 B10R1.113 c1c(cncc1F)C(=O)N cdp221fp3 [1,1,0,0,0,0|1,0,0]=3 191 B10R1.113 c1c(cncc1I)C(=O)O cdp240fp1 [1,1,0,0,0,0|2,0,0]=4 192 B10R1.113 c1c(cncc1N)C(=O)N cdp240fp2 [1,1,0,0,0,0|1,0,0]=3 193 B10R1.113 c1c(cncc1N)C(=O)O cdp240 [1,1,0,0,0,0|2,0,0]=4 194 B10R1.113 c1c(cncc1S)C(=O)O cdp157de6 [1,1,0,0,0,0|2,0,0]=4 195 B10R1.113 c1cc(nc(c1)Br)C(=O)O cdp202 [1,1,0,0,0,0|2,0,0]=4 196 B10R1.113 c1cc(nc(c1)Cl)C(=O)N cdp104vp1de9 [1,1,0,0,0,0|1,0,0]=3 197 B10R1.113 c1cc(nc(c1)F)C(=O)O cdp191 [1,1,0,0,0,0|2,0,0]=4 198 B10R1.113 c1cc(nc(c1)S)C(=O)O cdp157de4 [1,1,0,0,0,0|2,0,0]=4 199 B10R1.113 c1cnc(cc1Br)C(=O)N cdp113fp7 [1,1,0,0,0,0|1,0,0]=3 200 B10R1.113 c1cnc(cc1Br)C(=O)O cdp113 [1,1,0,0,0,0|2,0,0]=4 201 B10R1.113 c1cnc(cc1C(=O)O)Br cdp128 [1,1,0,0,0,0|2,0,0]=4 202 B10R1.113 c1cnc(cc1C(=O)O)F cdp073 [1,1,0,0,0,0|2,0,0]=4 203 B10R1.113 c1cnc(cc1C(=O)O)N cdp088 [1,1,0,0,0,0|2,0,0]=4 204 B10R1.113 c1cnc(cc1C(=O)O)S cdp157de7 [1,1,0,0,0,0|2,0,0]=4 205 B10R1.113 c1cnc(cc1Cl)C(=O)N cdp104vp1 [1,1,0,0,0,0|1,0,0]=3 206 B10R1.113 c1cnc(cc1Cl)C(=O)O cdp085 [1,1,0,0,0,0|2,0,0]=4 207 B10R1.113 c1cnc(cc1F)C(=O)O un200 [1,1,0,0,0,0|2,0,0]=4 208 B10R1.113 c1cnc(cc1O)C(=O)O cdp108 [1,1,0,0,0,0|2,0,0]=4 209 B10R1.113 c1cnc(cc1S)C(=O)O cdp157de2 [1,1,0,0,0,0|2,0,0]=4 210 B10R1.2 Cc1c(ccnc1Cl)C=O rp018 [1,1,0,0,0,0|2,0,0]=4 211 B10R1.2 Cc1cccc(c1C)CN a059 [1,1,0,0,0,0|1,0,1]=4 212 B10R1.2 c1cnc(c(c1C=O)Cl)Cl cia024de2 [1,1,0,0,0,0|2,0,0]=4 213 B10R1.2 c1cnc(c(c1C=O)Cl)F rp018de9 [1,1,0,0,0,0|2,0,0]=4 214 B10R1.2 c1cnc(c(c1C=O)F)F rp018de10 [1,1,0,0,0,0|2,0,0]=4 215 B10R1.20 COc1cccnc1C=O cia028de1 [1,1,0,0,0,0|1,0,0]=3 216 B10R1.20 COc1cnccc1C=O cia028de2 [1,1,0,0,0,0|1,0,0]=3 217 B10R1.25 Cc1cc(c(nc1)C=O)C rp032 [1,1,0,0,0,0|2,0,0]=4 218 B10R1.25 Cc1cc(ccc1CN)N dn093 [1,1,0,0,0,0|1,0,1]=4 219 B10R1.25 Cc1cc(cnc1C=O)Br rp198 [1,1,0,0,0,0|2,0,0]=4 220 B10R1.25 Cc1ccc(c(n1)Br)C=O rp009 [1,1,0,0,0,0|2,0,0]=4 221 B10R1.25 c1c(cnc(c1Br)C=O)Br un121fp4 [1,1,0,0,0,0|2,0,0]=4 222 B10R1.25 c1cc(nc(c1C=O)Br)Br cia024de7 [1,1,0,0,0,0|2,0,0]=4 223 B10R1.25 c1cc(nc(c1C=O)F)Br cdp218fp2 [1,1,0,0,0,0|2,0,0]=4 224 B10R1.25 c1cc(nc(c1C=O)F)Cl cdp212fp1 [1,1,0,0,0,0|2,0,0]=4 225 B10R1.30 Cc1cc(c(nc1)C)C=O rp018de25 [1,1,0,0,0,0|2,0,0]=4 226 B10R1.30 Cc1cc(c(nc1)F)C=O un205 [1,1,0,0,0,0|2,0,0]=4 227 B10R1.30 Cc1ccc(c(n1)C=O)O rp184 [1,1,0,0,0,0|1,0,0]=3 228 B10R1.30 Cc1ccc(cc1CN)N dn094 [1,1,0,0,0,0|1,0,1]=4 229 B10R1.30 Cc1cnc(cc1C=O)Cl cin047np1fp2 [1,1,0,0,0,0|2,0,0]=4 230 B10R1.30 c1c(c(cnc1Br)Br)C=O cia024de6 [1,1,0,0,0,0|2,0,0]=4 231 B10R1.30 c1c(c(cnc1Br)Cl)C=O rp001 [1,1,0,0,0,0|2,0,0]=4 232 B10R1.30 c1c(c(cnc1Cl)Cl)C=O cia024 [1,1,0,0,0,0|2,0,0]=4 233 B10R1.30 c1c(c(cnc1F)F)C=O cdp182fp2 [1,1,0,0,0,0|2,0,0]=4 234 B10R1.30 c1c(cnc(c1C=O)F)Br rp005 [1,1,0,0,0,0|2,0,0]=4 235 B10R1.30 c1c(cnc(c1C=O)F)F rp018de26 [1,1,0,0,0,0|2,0,0]=4 236 B10R1.30 c1c(cnc(c1C=O)N)Br un197 [1,1,0,0,0,0|2,0,0]=4 237 B10R1.245 Cc1ccnc(c1C=O)C rp018de19 [1,1,0,0,0,0|2,0,0]=4 238 B10R1.245 Cc1cncc(c1C=O)Br cia012 [1,1,0,0,0,0|2,0,0]=4 239 B10R1.245 Cc1cncc(c1C=O)C cia013 [1,1,0,0,0,0|2,0,0]=4 240 B10R1.245 c1c(c(c(cn1)Br)C=O)Br cia030 [1,1,0,0,0,0|2,0,0]=4 241 B10R1.245 c1c(c(c(cn1)Br)C=O)F a114fp4 [1,1,0,0,0,0|2,0,0]=4 242 B10R1.245 c1cc(c(c(c1)Cl)C=O)O ct137 [1,1,0,0,0,0|0,0,0]=2 243 B10R1.245 c1cnc(c(c1Br)C=O)Br cia024de5 [1,1,0,0,0,0|2,0,0]=4 244 B10R1.245 c1cnc(c(c1Br)C=O)Cl rp284 [1,1,0,0,0,0|2,0,0]=4 245 B10R1.245 c1cnc(c(c1Cl)C=O)F cdp118fp1 [1,1,0,0,0,0|2,0,0]=4 246 B12R1.75 c1ccc(c(c1)CC(=O)O)C#N ct139 [0,1,0,0,0,1|2,0,0]=4 247 B12R1.46 COc1c(cc(cn1)Cl)C(=O)O rp269 [0,2,0,0,0,0|2,0,0]=4 248 B12R1.77 COc1c(cccn1)C(=O)OC cdp263fp1de19 [0,2,0,0,0,0|2,0,0]=4 249 B12R1.77 COc1cccnc1C(=O)OC cia028de2de1 [0,2,0,0,0,0|2,0,0]=4 250 B12R1.77 COc1ccncc1C(=O)OC ct342lit2 [0,2,0,0,0,0|2,0,0]=4 251 B12R1.77 COc1cnccc1C(=O)OC ct051fp4 [0,2,0,0,0,0|2,0,0]=4 252 B12R1.283 CCOc1ccncc1C(=O)O ct342lit3 [0,2,0,0,0,0|2,0,0]=4 253 B12R1.128 c1cc(c(cc1O)S(=O)(=O)O)O un150de11de1 [0,2,0,0,0,0|2,0,0]=4 254 B12R1.1000 c1(c(nc(nc1O)O)O)C(=O)N a210vp1 [0,2,0,0,0,0|2,0,0]=4 255 B12R1.893 Cc1ccc(c(c1C)O)[N+](=O)[O-] fpzz0112fp6 [0,2,0,0,0,0|2,0,0]=4 256 B12R1.232 Cc1c(cc(c(n1)O)C(=O)O)Cl rp297 [0,2,0,0,0,0|2,0,0]=4 257 B12R1.232 Cc1cc(c(cc1Br)C(=O)O)Br jg081 [0,2,0,0,0,0|2,0,0]=4 258 B12R1.232 c1c(c(cc(c1Br)O)Br)C(=O)O jg083 [0,2,0,0,0,0|2,0,0]=4 259 B12R1.232 c1c(c(cc(c1Cl)O)O)C(=O)O f111 [0,2,0,0,0,0|1,0,0]=3 260 B12R1.1703 Cc1cc(c(cn1)C(=O)OC)O cdp263fp1de29 [0,2,0,0,0,0|2,0,0]=4 261 B12R1.1703 Cc1ccc(c(n1)O)C(=O)OC cdp263fp1de20 [0,2,0,0,0,0|2,0,0]=4 262 B12R1.354 COC(=O)c1cc(cnc1O)Cl cdp263fp1de27 [0,2,0,0,0,0|2,0,0]=4 263 B12R1.453 c1cc(c(cc1C#N)C(=O)O)O bio058 [0,2,0,0,0,0|1,0,0]=3 264 B12R1.308 CCOC(=O)c1c(cccn1)O fpzz0286fp1 [0,2,0,0,0,0|2,0,0]=4 265 B12R1.308 CCOC(=O)c1ccncc1O f002fp2 [0,2,0,0,0,0|2,0,0]=4 266 B12R1.308 CCOC(=O)c1cnccc1O ct013 [0,2,0,0,0,0|2,0,0]=4 267 B10R2.7 c1ccc2cscc2c1 hs2-b024lit9 [1,0,0,1,0,0|1,1,0]=4 268 B10R2.7 c1cncc2c1cco2 f002fp3 [1,0,0,1,0,0|2,0,0]=4 269 B12R2.24 c1ccc2c(c1)ncc(n2)N ct256 [0,0,0,1,0,1|2,0,0]=4 270 B12R2.24 c1ccc2cnc(cc2c1)N cdp104de5 [0,0,0,1,0,1|2,0,0]=4 271 B12R2.1081 c1ccc2c(c1)ccnc2N cdp104de4 [0,1,0,1,0,0|2,0,0]=4 272 B12R2.1081 c1ccc2c(c1)cn[nH]c2=S ct407 [0,1,0,1,0,0|1,1,0]=4 273 B8R1.7 CC(=O)c1ccoc1 f001 [1,0,0,0,1,0|2,0,0]=4 274 B12R1.125 c1ccc(c(c1)OCC(=O)O)I jmc034 [0,0,0,0,0,2|2,0,0]=4