0 B8R1.2 C=Cc1cccnc1 WX685205 [0,0,0,0,0,0|3,0,1]=4 1 B8R1.2 CNc1cccnc1 WX609454 [0,0,0,0,0,0|3,0,0]=3 2 B8R1.2 CNc1ccncn1 WX606069 [0,0,0,0,0,0|2,0,0]=2 3 B8R1.2 CNc1cnccn1 WX606056 [0,0,0,0,0,0|2,0,0]=2 4 B8R1.2 c1cc(cnc1)CO WX640285 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.2 c1ccnc(c1)CO WX640282 [0,0,0,0,0,0|2,0,0]=2 6 B8R1.2 c1ccnc(c1)NN WXC04165 [0,0,0,0,0,0|2,0,0]=2 7 B8R1.2 c1cnc(cn1)C=O WX624187 [0,0,0,0,0,0|3,0,0]=3 8 B8R1.2 c1cnc(cn1)CN WX603036 [0,0,0,0,0,0|3,0,0]=3 9 B8R1.2 c1cnc(cn1)CO WX640335 [0,0,0,0,0,0|3,0,0]=3 10 B8R1.2 c1cnc(nc1)CCl WX633047 [0,0,0,0,0,0|3,0,0]=3 11 B8R1.2 c1cnc(nc1)CN WX603024 [0,0,0,0,0,0|3,0,0]=3 12 B8R1.2 c1cnc(nc1)CN WX609048 [0,0,0,0,0,0|3,0,0]=3 13 B8R1.2 c1cnc(nc1)CO WX640112 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.2 c1cnc(nc1)CO WXC04758 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.2 c1cnc(nc1)NN WX684208 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.2 c1cnc(nc1)NN WXC03177 [0,0,0,0,0,0|3,0,0]=3 17 B8R1.2 c1cnccc1CO WX640289 [0,0,0,0,0,0|4,0,0]=4 18 B8R1.2 c1cnccc1NN WX684229 [0,0,0,0,0,0|4,0,0]=4 19 B8R1.2 c1cncnc1CO WX640254 [0,0,0,0,0,0|3,0,0]=3 20 B7R1.3 c1c(cncn1)O WX645041 [1,0,0,0,0,0|3,0,0]=4 21 B7R1.3 c1cc(cnc1)N WX609448 [1,0,0,0,0,0|3,0,0]=4 22 B7R1.3 c1cc(cnc1)O WX649089 [1,0,0,0,0,0|2,0,0]=3 23 B7R1.3 c1cc(nnc1)Br WX637045 [1,0,0,0,0,0|2,0,0]=3 24 B7R1.3 c1cc(nnc1)Cl WX636063 [1,0,0,0,0,0|2,0,0]=3 25 B7R1.3 c1cc(nnc1)N WX609159 [1,0,0,0,0,0|2,0,0]=3 26 B7R1.3 c1ccc(cc1)O WX645078 [1,0,0,0,0,0|1,0,0]=2 27 B7R1.3 c1ccnc(c1)O WX649094 [1,0,0,0,0,0|0,0,0]=1 28 B7R1.3 c1cnc(cn1)Cl WX636237 [1,0,0,0,0,0|2,0,0]=3 29 B7R1.3 c1cnc(cn1)N WX609446 [1,0,0,0,0,0|2,0,0]=3 30 B7R1.3 c1cnc(nc1)Cl WX636235 [1,0,0,0,0,0|2,0,0]=3 31 B7R1.3 c1cnc(nc1)O WX649101 [1,0,0,0,0,0|1,0,0]=2 32 B7R1.3 c1cnccc1O WX649100 [1,0,0,0,0,0|2,0,0]=3 33 B7R1.3 c1cncnc1Cl WX636060 [1,0,0,0,0,0|2,0,0]=3 34 B7R1.3 c1cncnc1Cl WX636232 [1,0,0,0,0,0|2,0,0]=3 35 B7R1.3 c1cncnc1N WX609259 [1,0,0,0,0,0|2,0,0]=3 36 B7R1.3 c1cncnc1O WX649099 [1,0,0,0,0,0|1,0,0]=2 37 B9R1.1 CCc1ccc(nc1)Cl WX636306 [0,1,0,0,0,0|3,0,0]=4 38 B9R1.1 CNc1ccc(cc1)Br WXC02256 [0,1,0,0,0,0|2,0,0]=3 39 B9R1.1 COc1ccc(nc1)Cl WX636208 [0,1,0,0,0,0|2,0,0]=3 40 B9R1.1 COc1ccc(nn1)Cl WXC00277 [0,1,0,0,0,0|1,0,0]=2 41 B9R1.1 COc1ccc(nn1)N WX609426 [0,1,0,0,0,0|1,0,0]=2 42 B9R1.1 COc1ncc(cn1)Br WX637017 [0,1,0,0,0,0|1,0,0]=2 43 B9R1.1 COc1ncc(cn1)I WXC02564 [0,1,0,0,0,0|1,0,0]=2 44 B9R1.1 Cc1ccc(cc1)NN WX684225 [0,1,0,0,0,0|3,0,0]=4 45 B9R1.1 Cc1ccc(nc1)CN WX609025 [0,1,0,0,0,0|2,0,0]=3 46 B9R1.1 Cc1ccc(nc1)CO WX640119 [0,1,0,0,0,0|2,0,0]=3 47 B9R1.1 Cc1cnc(nc1)CN WX603033 [0,1,0,0,0,0|3,0,0]=4 48 B9R1.1 Cc1cnc(nc1)CN WX603126 [0,1,0,0,0,0|3,0,0]=4 49 B9R1.1 Cc1cnc(nc1)CO WX640115 [0,1,0,0,0,0|3,0,0]=4 50 B9R1.1 c1c(cnc(n1)C#N)Br WX637216 [0,1,0,0,0,0|3,0,0]=4 51 B9R1.1 c1c(cnc(n1)C#N)Cl WX636083 [0,1,0,0,0,0|3,0,0]=4 52 B9R1.1 c1c(cnc(n1)C#N)F WX683505 [0,1,0,0,0,0|3,0,0]=4 53 B9R1.1 c1c(cnc(n1)CF)O WX649079 [0,1,0,0,0,0|3,0,0]=4 54 B9R1.1 c1c(cnc(n1)CN)F WXFC0143 [0,1,0,0,0,0|3,0,0]=4 55 B9R1.1 c1c(cnc(n1)CO)O WX640204 [0,1,0,0,0,0|3,0,0]=4 56 B9R1.1 c1c(ncc(n1)Br)C#N WX637262 [0,1,0,0,0,0|3,0,0]=4 57 B9R1.1 c1c(ncc(n1)Cl)C=O WX624222 [0,1,0,0,0,0|3,0,0]=4 58 B9R1.1 c1c(ncc(n1)N)C#N WX609404 [0,1,0,0,0,0|3,0,0]=4 59 B9R1.1 c1cc(ccc1CF)Br WX630205 [0,1,0,0,0,0|3,0,0]=4 60 B9R1.1 c1cc(ncc1Br)C=O WX624044 [0,1,0,0,0,0|2,0,0]=3 61 B9R1.1 c1cc(ncc1Br)CN WX603129 [0,1,0,0,0,0|2,0,0]=3 62 B9R1.1 c1cc(ncc1Br)NN WX684207 [0,1,0,0,0,0|2,0,0]=3 63 B9R1.1 c1cc(ncc1Cl)C=O WX624172 [0,1,0,0,0,0|2,0,0]=3 64 B9R1.1 c1cc(ncc1N)CN WXC02330 [0,1,0,0,0,0|2,0,0]=3 65 B9R1.1 c1cc(ncc1O)C#N WX683517 [0,1,0,0,0,0|2,0,0]=3 66 B9R1.1 c1cc(nnc1C#N)Cl WX636115 [0,1,0,0,0,0|3,0,0]=4 67 B9R1.2 C#Cc1cc(ccn1)N WX609329 [0,1,0,0,0,0|1,0,1]=3 68 B9R1.2 CCc1nccc(n1)Cl WXC04098 [0,1,0,0,0,0|2,0,0]=3 69 B9R1.2 CCc1nccc(n1)O WXC04103 [0,1,0,0,0,0|2,0,0]=3 70 B9R1.2 CNc1ccnc(n1)Cl WX636026 [0,1,0,0,0,0|2,0,0]=3 71 B9R1.2 CNc1nccc(n1)Cl WX636033 [0,1,0,0,0,0|2,0,0]=3 72 B9R1.2 COc1cc(ccn1)Br WX637041 [0,1,0,0,0,0|0,0,0]=1 73 B9R1.2 COc1cc(ccn1)Cl WX636220 [0,1,0,0,0,0|0,0,0]=1 74 B9R1.2 COc1cc(ccn1)O WX645099 [0,1,0,0,0,0|0,0,0]=1 75 B9R1.2 COc1cc(ncn1)Cl WX636065 [0,1,0,0,0,0|1,0,0]=2 76 B9R1.2 COc1cccc(n1)I WXC00054 [0,1,0,0,0,0|0,0,0]=1 77 B9R1.2 COc1ccnc(c1)N WX609515 [0,1,0,0,0,0|2,0,0]=3 78 B9R1.2 COc1ccnc(n1)N WXC01071 [0,1,0,0,0,0|1,0,0]=2 79 B9R1.2 COc1nccc(n1)N WX609476 [0,1,0,0,0,0|1,0,0]=2 80 B9R1.2 CSc1[nH]c(=O)ccn1 WX687920 [0,1,0,0,0,0|1,1,0]=3 81 B9R1.2 CSc1cc(cnc1)Br WX637159 [0,1,0,0,0,0|2,1,0]=4 82 B9R1.2 CSc1nccc(n1)I WX638004 [0,1,0,0,0,0|1,1,0]=3 83 B9R1.2 CSc1nccc(n1)N WX609363 [0,1,0,0,0,0|1,1,0]=3 84 B9R1.2 Cc1cccc(n1)C=O WX624173 [0,1,0,0,0,0|2,0,0]=3 85 B9R1.2 Cc1cccc(n1)CCl WX630176 [0,1,0,0,0,0|2,0,0]=3 86 B9R1.2 Cc1cccc(n1)CN WX609028 [0,1,0,0,0,0|2,0,0]=3 87 B9R1.2 Cc1cccc(n1)NN WXC01942 [0,1,0,0,0,0|2,0,0]=3 88 B9R1.2 Cc1ccnc(c1)C#N WX683538 [0,1,0,0,0,0|2,0,0]=3 89 B9R1.2 Cc1ccnc(c1)C=O WX624021 [0,1,0,0,0,0|2,0,0]=3 90 B9R1.2 Cc1ccnc(c1)CN WX603045 [0,1,0,0,0,0|2,0,0]=3 91 B9R1.2 Cc1ccnc(n1)CN WX603032 [0,1,0,0,0,0|3,0,0]=4 92 B9R1.2 Cc1ccnc(n1)CO WX640137 [0,1,0,0,0,0|3,0,0]=4 93 B9R1.2 Cc1cncc(n1)C=O WX624023 [0,1,0,0,0,0|3,0,0]=4 94 B9R1.2 c1c(nc(cn1)Cl)CO WX636325 [0,1,0,0,0,0|3,0,0]=4 95 B9R1.2 c1cc(nc(c1)Br)C#N WX637370 [0,1,0,0,0,0|2,0,0]=3 96 B9R1.2 c1cc(nc(c1)Br)CBr WX630170 [0,1,0,0,0,0|2,0,0]=3 97 B9R1.2 c1cc(nc(c1)Cl)C#N WX636061 [0,1,0,0,0,0|2,0,0]=3 98 B9R1.2 c1cnc(cc1Br)C#N WX637083 [0,1,0,0,0,0|2,0,0]=3 99 B9R1.2 c1cnc(cc1Cl)CN WX603072 [0,1,0,0,0,0|2,0,0]=3 100 B9R1.2 c1cnc(cc1Cl)CO WX640283 [0,1,0,0,0,0|2,0,0]=3 101 B9R1.2 c1cnc(cc1I)NN WX684201 [0,1,0,0,0,0|2,0,0]=3 102 B9R1.2 c1cnc(nc1Cl)C#N WX636086 [0,1,0,0,0,0|3,0,0]=4 103 B9R1.6 CC(c1ccccn1)N WX609027 [0,1,0,0,0,0|1,0,0]=2 104 B9R1.6 CC(c1ccccn1)O WX642039 [0,1,0,0,0,0|1,0,0]=2 105 B9R1.6 CC(c1cccnc1)N WX609031 [0,1,0,0,0,0|3,0,0]=4 106 B9R1.6 CC(c1cccnc1)O WX642141 [0,1,0,0,0,0|3,0,0]=4 107 B9R1.6 CC(c1ccncc1)N WX609038 [0,1,0,0,0,0|3,0,0]=4 108 B9R1.6 CC(c1ccncc1)O WX642142 [0,1,0,0,0,0|3,0,0]=4 109 B9R1.6 CC(c1ncccn1)N WX609073 [0,1,0,0,0,0|2,0,0]=3 110 B9R1.6 CC(c1ncccn1)O WX642042 [0,1,0,0,0,0|2,0,0]=3 111 B9R1.6 c1ccnc(c1)C(=N)N WX619917 [0,1,0,0,0,0|2,0,0]=3 112 B9R1.6 c1cnc(nc1)C(=O)O WX614147 [0,1,0,0,0,0|3,0,0]=4 113 B9R1.6 c1cnc(nc1)C(=S)N WXC00508 [0,1,0,0,0,0|3,0,0]=4 114 B9R1.6 c1cncnc1C(=O)O WX614254 [0,1,0,0,0,0|3,0,0]=4 115 B9R1.8 CNCc1ccccn1 WX600188 [0,1,0,0,0,0|1,0,0]=2 116 B9R1.8 CNCc1cccnc1 WX609032 [0,1,0,0,0,0|3,0,0]=4 117 B9R1.8 CNCc1ccncc1 WX603083 [0,1,0,0,0,0|3,0,0]=4 118 B9R1.8 CNCc1ncccn1 WX603029 [0,1,0,0,0,0|2,0,0]=3 119 B9R1.8 CNCc1ncccn1 WX603127 [0,1,0,0,0,0|2,0,0]=3 120 B9R1.8 CNCc1ncccn1 WXC02264 [0,1,0,0,0,0|2,0,0]=3 121 B9R1.8 c1ccnc(c1)CCN WX600199 [0,1,0,0,0,0|1,0,0]=2 122 B9R1.15 C#Cc1ccccc1F WX685202 [0,1,0,0,0,0|2,0,1]=4 123 B9R1.15 CCc1c(cccn1)O WX649107 [0,1,0,0,0,0|1,0,0]=2 124 B9R1.15 CCc1cccnc1Cl WX636307 [0,1,0,0,0,0|3,0,0]=4 125 B9R1.15 CNc1c(cccn1)N WX609203 [0,1,0,0,0,0|1,0,0]=2 126 B9R1.15 CNc1c(cccn1)N WX609509 [0,1,0,0,0,0|1,0,0]=2 127 B9R1.15 COc1c(cccn1)Br WX637046 [0,1,0,0,0,0|0,0,0]=1 128 B9R1.15 COc1c(nccn1)Cl WX636117 [0,1,0,0,0,0|1,0,0]=2 129 B9R1.15 COc1ccncc1Br WX637275 [0,1,0,0,0,0|2,0,0]=3 130 B9R1.15 Cc1cccnc1C=O WX624058 [0,1,0,0,0,0|2,0,0]=3 131 B9R1.15 Cc1cccnc1CN WX609026 [0,1,0,0,0,0|2,0,0]=3 132 B9R1.15 Cc1cccnc1CO WX640138 [0,1,0,0,0,0|2,0,0]=3 133 B9R1.15 c1cc(c(nc1)C#N)Br WX637042 [0,1,0,0,0,0|2,0,0]=3 134 B9R1.15 c1cc(c(nc1)CN)F WXFC0141 [0,1,0,0,0,0|2,0,0]=3 135 B9R1.15 c1ccc(c(c1)CN)O WXC02211 [0,1,0,0,0,0|3,0,0]=4 136 B9R1.15 c1ccc(c(c1)CO)I WX640329 [0,1,0,0,0,0|3,0,0]=4 137 B9R1.15 c1cnc(c(n1)C#N)Br WXC02871 [0,1,0,0,0,0|3,0,0]=4 138 B9R1.15 c1cnc(c(n1)CN)Cl WX603054 [0,1,0,0,0,0|3,0,0]=4 139 B9R1.15 c1cnc(c(n1)NN)Cl WX684220 [0,1,0,0,0,0|3,0,0]=4 140 B7R1.1 CCc1c[nH]nc1 WX690051 [0,0,0,0,1,0|3,0,0]=4 141 B7R1.1 CNc1cc[nH]n1 WX606026 [0,0,0,0,1,0|2,0,0]=3 142 B7R1.1 CNc1ccon1 WX606025 [0,0,0,0,1,0|2,0,0]=3 143 B7R1.1 CNc1ccon1 WX606070 [0,0,0,0,1,0|2,0,0]=3 144 B7R1.1 CNc1ncco1 WX606024 [0,0,0,0,1,0|2,0,0]=3 145 B7R1.1 CNc1nncs1 WX607061 [0,0,0,0,1,0|3,0,0]=4 146 B7R1.1 CSc1c[nH]nc1 WXC00643 [0,0,0,0,1,0|2,1,0]=4 147 B7R1.1 CSc1cc[nH]n1 WXC00642 [0,0,0,0,1,0|1,1,0]=3 148 B7R1.1 c1c(nc[nH]1)C#N WX683502 [0,0,0,0,1,0|3,0,0]=4 149 B7R1.1 c1c(nc[nH]1)C=O WX624178 [0,0,0,0,1,0|3,0,0]=4 150 B7R1.1 c1c(nc[nH]1)CN WX603089 [0,0,0,0,1,0|3,0,0]=4 151 B7R1.1 c1c(nc[nH]1)CO WX640292 [0,0,0,0,1,0|3,0,0]=4 152 B7R1.1 c1c(nco1)CO WX640327 [0,0,0,0,1,0|3,0,0]=4 153 B7R1.1 c1c(ncs1)C#N WX683555 [0,0,0,0,1,0|3,0,0]=4 154 B7R1.1 c1c(ncs1)CN WX603101 [0,0,0,0,1,0|3,0,0]=4 155 B7R1.1 c1c[nH]nc1C=O WX624059 [0,0,0,0,1,0|3,0,0]=4 156 B7R1.1 c1c[nH]nc1CN WX603026 [0,0,0,0,1,0|3,0,0]=4 157 B7R1.1 c1c[nH]nc1CN WXC04668 [0,0,0,0,1,0|3,0,0]=4 158 B7R1.1 c1cc(sc1)CO WX640288 [0,0,0,0,1,0|3,0,0]=4 159 B7R1.1 c1cnc([nH]1)CN WX609045 [0,0,0,0,1,0|3,0,0]=4 160 B7R1.1 c1cnc([nH]1)CO WXC03352 [0,0,0,0,1,0|3,0,0]=4 161 B7R1.1 c1conc1C=O WX624030 [0,0,0,0,1,0|3,0,0]=4 162 B7R1.1 c1conc1CBr WX630236 [0,0,0,0,1,0|3,0,0]=4 163 B7R1.1 c1conc1CN WX603172 [0,0,0,0,1,0|3,0,0]=4 164 B7R1.1 c1csc(n1)C=O WX624188 [0,0,0,0,1,0|3,0,0]=4 165 B7R1.1 c1csc(n1)CO WX640084 [0,0,0,0,1,0|3,0,0]=4 166 B8R1.3 Cc1ccc(cc1)O WX645079 [1,1,0,0,0,0|1,0,0]=3 167 B8R1.3 Cc1ccc(cn1)N WX609427 [1,1,0,0,0,0|0,0,0]=2 168 B8R1.3 Cc1ccc(cn1)O WX649092 [1,1,0,0,0,0|0,0,0]=2 169 B8R1.3 Cc1ccc(nc1)Br WX637311 [1,1,0,0,0,0|1,0,0]=3 170 B8R1.3 Cc1ccc(nc1)O WX649096 [1,1,0,0,0,0|0,0,0]=2 171 B8R1.3 Cc1cnc(cn1)Cl WX636238 [1,1,0,0,0,0|1,0,0]=3 172 B8R1.3 Cc1cnc(cn1)N WX606073 [1,1,0,0,0,0|1,0,0]=3 173 B8R1.3 Cc1cnc(cn1)N WX609221 [1,1,0,0,0,0|1,0,0]=3 174 B8R1.3 Cc1cnc(nc1)O WX645028 [1,1,0,0,0,0|1,0,0]=3 175 B8R1.3 Cc1ncc(cn1)Br WX637043 [1,1,0,0,0,0|1,0,0]=3 176 B8R1.3 c1c(cnc(n1)Cl)Cl WX636236 [1,1,0,0,0,0|2,0,0]=4 177 B8R1.3 c1c(cnc(n1)Cl)N WX609392 [1,1,0,0,0,0|2,0,0]=4 178 B8R1.3 c1c(cnc(n1)Cl)O WX636062 [1,1,0,0,0,0|2,0,0]=4 179 B8R1.3 c1c(ncc(n1)Br)O WX645031 [1,1,0,0,0,0|1,0,0]=3 180 B8R1.3 c1cc(ncc1F)F WX639016 [1,1,0,0,0,0|1,0,0]=3 181 B8R1.3 c1cc(nnc1Cl)I WX638010 [1,1,0,0,0,0|2,0,0]=4 182 B8R1.3 c1cc(nnc1N)Cl WX609406 [1,1,0,0,0,0|2,0,0]=4 183 B8R1.3 c1cc(nnc1N)I WXC01553 [1,1,0,0,0,0|2,0,0]=4 184 B8R1.4 Cc1cc(ccn1)O WX645022 [1,1,0,0,0,0|0,0,0]=2 185 B8R1.4 Cc1cc(cnc1)N WX609450 [1,1,0,0,0,0|2,0,0]=4 186 B8R1.4 Cc1cc(cnc1)O WX649090 [1,1,0,0,0,0|2,0,0]=4 187 B8R1.4 Cc1cc(ncn1)Cl WX636233 [1,1,0,0,0,0|1,0,0]=3 188 B8R1.4 Cc1cc(ncn1)N WX609382 [1,1,0,0,0,0|1,0,0]=3 189 B8R1.4 Cc1cc(ncn1)O WX645020 [1,1,0,0,0,0|1,0,0]=3 190 B8R1.4 Cc1cccc(c1)O WX645080 [1,1,0,0,0,0|1,0,0]=3 191 B8R1.4 Cc1cccc(n1)Br WX637312 [1,1,0,0,0,0|0,0,0]=2 192 B8R1.4 Cc1cccc(n1)O WX649098 [1,1,0,0,0,0|0,0,0]=2 193 B8R1.4 Cc1ccnc(c1)Cl WX636229 [1,1,0,0,0,0|1,0,0]=3 194 B8R1.4 Cc1ccnc(c1)O WX649095 [1,1,0,0,0,0|0,0,0]=2 195 B8R1.4 Cc1ccnc(n1)Cl WX636093 [1,1,0,0,0,0|1,0,0]=3 196 B8R1.4 Cc1ccnc(n1)O WX619017 [1,1,0,0,0,0|1,0,0]=3 197 B8R1.4 Cc1cncc(n1)Cl WX636239 [1,1,0,0,0,0|1,0,0]=3 198 B8R1.4 Cc1cncc(n1)N WX609148 [1,1,0,0,0,0|1,0,0]=3 199 B8R1.4 Cc1nccc(n1)Cl WX636234 [1,1,0,0,0,0|1,0,0]=3 200 B8R1.4 Cc1nccc(n1)N WX606010 [1,1,0,0,0,0|1,0,0]=3 201 B8R1.4 Cc1nccc(n1)O WX645021 [1,1,0,0,0,0|1,0,0]=3 202 B8R1.4 c1c(cncc1F)O WX649045 [1,1,0,0,0,0|2,0,0]=4 203 B8R1.4 c1c(cnnc1Cl)N WX609431 [1,1,0,0,0,0|2,0,0]=4 204 B8R1.4 c1c(nc(cn1)Br)Cl WX637068 [1,1,0,0,0,0|2,0,0]=4 205 B8R1.4 c1cc(=O)[nH]c(c1)Br WX637131 [1,1,0,0,0,0|0,0,2]=4 206 B8R1.4 c1cc(nc(c1)Br)O WXC02241 [1,1,0,0,0,0|0,0,0]=2 207 B8R1.4 c1cnc(cc1Cl)O WX636064 [1,1,0,0,0,0|0,0,0]=2 208 B8R1.4 c1cnc(cc1F)N WX609167 [1,1,0,0,0,0|1,0,0]=3 209 B8R1.4 c1cnc(cc1I)F WX638043 [1,1,0,0,0,0|1,0,0]=3 210 B8R1.5 Cc1c(cccn1)N WX609161 [1,1,0,0,0,0|0,0,0]=2 211 B8R1.5 Cc1c(cccn1)O WX649093 [1,1,0,0,0,0|0,0,0]=2 212 B8R1.5 Cc1ccccc1O WX645081 [1,1,0,0,0,0|1,0,0]=3 213 B8R1.5 Cc1cccnc1Cl WX636230 [1,1,0,0,0,0|1,0,0]=3 214 B8R1.5 Cc1cccnc1O WX649097 [1,1,0,0,0,0|0,0,0]=2 215 B8R1.5 Cc1ccncc1N WX609452 [1,1,0,0,0,0|2,0,0]=4 216 B8R1.5 Cc1ccncc1O WX649091 [1,1,0,0,0,0|2,0,0]=4 217 B8R1.5 Cc1cnccc1Br WX637039 [1,1,0,0,0,0|2,0,0]=4 218 B8R1.5 Cc1cnccc1Cl WX609160 [1,1,0,0,0,0|2,0,0]=4 219 B8R1.5 Cc1cnccc1O WX645018 [1,1,0,0,0,0|2,0,0]=4 220 B8R1.5 Cc1cncnc1Cl WX636049 [1,1,0,0,0,0|2,0,0]=4 221 B8R1.5 Cc1cncnc1Cl WX636091 [1,1,0,0,0,0|2,0,0]=4 222 B8R1.5 Cc1cncnc1O WX649072 [1,1,0,0,0,0|1,0,0]=3 223 B8R1.5 c1c(c(ncn1)N)Cl WX609456 [1,1,0,0,0,0|2,0,0]=4 224 B8R1.5 c1cc(c(nc1)Br)F WX637049 [1,1,0,0,0,0|1,0,0]=3 225 B8R1.5 c1cc(c(nc1)Cl)I WX636168 [1,1,0,0,0,0|1,0,0]=3 226 B8R1.5 c1cc(c(nc1)F)I WX634015 [1,1,0,0,0,0|1,0,0]=3 227 B8R1.5 c1cc(c(nc1)N)Cl WX609235 [1,1,0,0,0,0|1,0,0]=3 228 B8R1.5 c1cc(c(nc1)N)I WX638018 [1,1,0,0,0,0|1,0,0]=3 229 B8R1.5 c1cnc(c(n1)N)Cl WX609303 [1,1,0,0,0,0|2,0,0]=4 230 B8R1.5 c1cncc(c1N)O WX609099 [1,1,0,0,0,0|2,0,0]=4 231 B8R1.5 c1cncc(c1O)N WX609105 [1,1,0,0,0,0|2,0,0]=4 232 B8R1.7 CC(=O)c1c[nH]cn1 WX626016 [0,1,0,0,1,0|2,0,0]=4 233 B8R1.7 CC(=O)c1cc[nH]n1 WX626051 [0,1,0,0,1,0|2,0,0]=4 234 B8R1.7 CC(c1[nH]ccn1)N WX603123 [0,1,0,0,1,0|2,0,0]=4 235 B8R1.7 CC(c1[nH]ccn1)N WX609071 [0,1,0,0,1,0|2,0,0]=4 236 B8R1.7 CC(c1c[nH]cn1)O WX642070 [0,1,0,0,1,0|2,0,0]=4 237 B8R1.7 CC(c1cc[nH]n1)N WXC00799 [0,1,0,0,1,0|2,0,0]=4 238 B8R1.7 CC(c1cccs1)N WX609033 [0,1,0,0,1,0|2,0,0]=4 239 B8R1.7 CC(c1cccs1)O WX642064 [0,1,0,0,1,0|2,0,0]=4 240 B8R1.8 CNCc1[nH]ccn1 WX609046 [0,1,0,0,1,0|2,0,0]=4 241 B8R1.8 c1cc(oc1)CCO WX640320 [0,1,0,0,1,0|2,0,0]=4 242 B8R1.8 c1cc(sc1)CCN WX600201 [0,1,0,0,1,0|2,0,0]=4 243 B8R1.8 c1cnn(c1)CCBr WX630022 [0,1,0,0,1,0|2,0,0]=4 244 B10R1.1 CCOc1ccc(nc1)Br WX637261 [0,2,0,0,0,0|2,0,0]=4 245 B10R1.1 Cc1cnc(nc1)CCN WX607133 [0,2,0,0,0,0|2,0,0]=4 246 B10R1.1 c1c(cnc(n1)CCO)O WX649071 [0,2,0,0,0,0|2,0,0]=4 247 B10R1.3 COc1ccc(cn1)C=O WX624042 [0,2,0,0,0,0|0,0,0]=2 248 B10R1.3 COc1ccc(nc1)C#N WX683549 [0,2,0,0,0,0|2,0,0]=4 249 B10R1.13 CC(=O)c1ccc(cn1)Br WX619067 [0,2,0,0,0,0|1,0,0]=3 250 B10R1.13 CC(=O)c1ccc(nn1)Cl WXC01382 [0,2,0,0,0,0|2,0,0]=4 251 B10R1.13 CC(c1ncc(cn1)O)O WX649075 [0,2,0,0,0,0|2,0,0]=4 252 B10R1.13 CN(C)c1ccc(cn1)Br WX637239 [0,2,0,0,0,0|1,0,0]=3 253 B10R1.13 CN(C)c1ccc(cn1)N WX606099 [0,2,0,0,0,0|1,0,0]=3 254 B10R1.13 C[C@@H](c1ncc(cn1)O)O WX649103 [0,2,0,0,0,0|2,0,0]=4 255 B10R1.13 Cc1ccc(nc1)C(=O)O WX614117 [0,2,0,0,0,0|2,0,0]=4 256 B10R1.13 c1cc(ncc1Br)C(F)F WXC00995 [0,2,0,0,0,0|2,0,0]=4 257 B10R1.13 c1cc(ncc1N)C(F)F WXC01084 [0,2,0,0,0,0|2,0,0]=4 258 B10R1.13 c1cc(ncc1O)C(=O)O WX614146 [0,2,0,0,0,0|2,0,0]=4 259 B10R1.25 CNc1ccc(cc1Br)F WX633219 [0,2,0,0,0,0|2,0,0]=4 260 B10R1.25 COc1c(nc(cn1)Cl)Cl WXC04294 [0,2,0,0,0,0|1,0,0]=3 261 B10R1.25 COc1ccc(cc1O)O WX645051 [0,2,0,0,0,0|1,0,0]=3 262 B10R1.25 COc1ccc(nc1Cl)I WX636290 [0,2,0,0,0,0|2,0,0]=4 263 B10R1.25 Cc1cc(cnc1NC)Br WX637137 [0,2,0,0,0,0|1,0,0]=3 264 B10R1.25 c1c(cnc(c1F)C#N)Br WX637148 [0,2,0,0,0,0|2,0,0]=4 265 B10R1.176 COc1cc(c(cn1)I)Cl WX638071 [0,2,0,0,0,0|0,0,0]=2 266 B10R1.176 CSc1[nH]c(=O)c(cn1)Br WX637231 [0,2,0,0,0,0|1,1,0]=4 267 B10R1.176 CSc1[nH]c(=O)c(cn1)I WX638047 [0,2,0,0,0,0|1,1,0]=4 268 B10R1.176 c1cc(c(nc1C#N)Br)Cl WXC03435 [0,2,0,0,0,0|2,0,0]=4 269 B10R1.176 c1cc(c(nc1C#N)Cl)Br WXC01385 [0,2,0,0,0,0|2,0,0]=4 270 B10R1.2 COc1cccc(c1O)F WX645094 [0,2,0,0,0,0|1,0,0]=3 271 B10R1.2 Cc1c(c(ncn1)OC)Br WX637415 [0,2,0,0,0,0|1,0,0]=3 272 B10R1.8 CNc1cc(cc(n1)Cl)Cl WX606058 [0,2,0,0,0,0|1,0,0]=3 273 B10R1.8 COc1nc(cc(n1)Cl)N WX609500 [0,2,0,0,0,0|1,0,0]=3 274 B10R1.8 CSc1nc(cc(n1)Cl)N WX609501 [0,2,0,0,0,0|1,1,0]=4 275 B10R1.8 Cc1cc(nc(n1)SC)Cl WX636007 [0,2,0,0,0,0|1,1,0]=4 276 B10R1.10 CCNc1cc(ncn1)Cl WX636029 [0,2,0,0,0,0|2,0,0]=4 277 B10R1.10 CCOc1cc(ccn1)Cl WXC04143 [0,2,0,0,0,0|0,0,0]=2 278 B10R1.10 CCOc1cccc(n1)Br WX633197 [0,2,0,0,0,0|0,0,0]=2 279 B10R1.10 CCOc1cncc(n1)Cl WX636215 [0,2,0,0,0,0|1,0,0]=3 280 B10R1.10 CNCc1cccc(c1)O WX600071 [0,2,0,0,0,0|2,0,0]=4 281 B10R1.10 CSCc1cccc(c1)Br WX633087 [0,2,0,0,0,0|1,1,0]=4 282 B10R1.10 c1cc(nc(c1)Br)CC#N WX637443 [0,2,0,0,0,0|1,0,1]=4 283 B10R1.30 CCc1cc(ccc1Br)O WX633044 [0,2,0,0,0,0|2,0,0]=4 284 B10R1.30 CCc1cc(ccc1O)F WX645008 [0,2,0,0,0,0|2,0,0]=4 285 B10R1.30 CNc1c(ccc(n1)Cl)N WXC00865 [0,2,0,0,0,0|1,0,0]=3 286 B10R1.30 COc1c(ccc(n1)Br)N WX609220 [0,2,0,0,0,0|0,0,0]=2 287 B10R1.30 COc1c(cnc(n1)N)Br WXC01072 [0,2,0,0,0,0|1,0,0]=3 288 B10R1.30 COc1cc(cnc1Cl)Br WX637391 [0,2,0,0,0,0|2,0,0]=4 289 B10R1.30 COc1cc(ncc1Br)N WXC01994 [0,2,0,0,0,0|2,0,0]=4 290 B10R1.30 CSc1c(cnc(n1)Cl)Br WX637112 [0,2,0,0,0,0|1,1,0]=4 291 B10R1.30 Cc1ccc(c(c1)OC)Cl WX632007 [0,2,0,0,0,0|1,0,0]=3 292 B10R1.30 Cc1ccc(c(n1)C=O)O WXC01810 [0,2,0,0,0,0|2,0,0]=4 293 B10R1.30 Cc1ccc(c(n1)CO)O WX640367 [0,2,0,0,0,0|2,0,0]=4 294 B10R1.30 c1cc(nc(c1Br)NN)Cl WXC00058 [0,2,0,0,0,0|2,0,0]=4 295 B10R1.30 c1cc(nc(c1N)C#N)Cl WX609174 [0,2,0,0,0,0|2,0,0]=4 296 B10R1.113 B(c1cccc(n1)Br)(O)O WX654047 [0,2,0,0,0,0|2,0,0]=4 297 B10R1.113 CC(=O)c1cc(ccn1)Br WXC02208 [0,2,0,0,0,0|1,0,0]=3 298 B10R1.113 CC(=O)c1cc(ccn1)Cl WX636192 [0,2,0,0,0,0|1,0,0]=3 299 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [0,2,0,0,0,0|2,0,0]=4 300 B10R1.113 CC(=O)c1cccc(n1)Br WX624141 [0,2,0,0,0,0|1,0,0]=3 301 B10R1.113 CC(C)c1nccc(n1)Cl WXC04099 [0,2,0,0,0,0|2,0,0]=4 302 B10R1.113 CC(C)c1nccc(n1)O WXC04102 [0,2,0,0,0,0|2,0,0]=4 303 B10R1.113 CN(C)c1cc(ncn1)Cl WX636126 [0,2,0,0,0,0|2,0,0]=4 304 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [0,2,0,0,0,0|2,0,0]=4 305 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [0,2,0,0,0,0|2,0,0]=4 306 B10R1.113 Cc1cccc(n1)C(=N)N WXC03164 [0,2,0,0,0,0|2,0,0]=4 307 B10R1.113 Cc1cccc(n1)C(=O)O WX614192 [0,2,0,0,0,0|2,0,0]=4 308 B10R1.113 Cc1ccnc(c1)C(=N)N WXC03165 [0,2,0,0,0,0|2,0,0]=4 309 B10R1.113 Cc1ccnc(c1)C(=O)O WX614114 [0,2,0,0,0,0|2,0,0]=4 310 B10R1.113 c1cc(nc(c1)Cl)C(=O)O WX614070 [0,2,0,0,0,0|2,0,0]=4 311 B10R1.113 c1cnc(cc1Br)C(=O)O WX614145 [0,2,0,0,0,0|2,0,0]=4 312 B10R1.172 COc1cc(ccn1)C#N WX683548 [0,2,0,0,0,0|0,0,0]=2 313 B10R1.172 COc1cc(ccn1)C=O WX622010 [0,2,0,0,0,0|0,0,0]=2 314 B10R1.172 COc1cc(ccn1)CN WX603011 [0,2,0,0,0,0|0,0,0]=2 315 B10R1.172 COc1cc(ccn1)CO WX640064 [0,2,0,0,0,0|0,0,0]=2 316 B10R1.172 COc1cc(cnc1)C=O WX624057 [0,2,0,0,0,0|2,0,0]=4 317 B10R1.172 COc1cccc(c1)C#C WX685201 [0,2,0,0,0,0|1,0,0]=3 318 B10R1.172 COc1cccc(n1)C#C WX686201 [0,2,0,0,0,0|0,0,0]=2 319 B10R1.172 COc1ccnc(c1)C#N WX683556 [0,2,0,0,0,0|2,0,0]=4 320 B10R1.172 [C-]#[N+]c1cccc(n1)C#N WXC02212 [0,2,0,0,0,0|1,0,1]=4 321 B10R1.172 c1cnc(cc1CBr)C#N WX630290 [0,2,0,0,0,0|2,0,0]=4 322 B10R1.15 COC(=O)c1ccncn1 WX618355 [0,2,0,0,0,0|1,0,0]=3 323 B10R1.15 COC(=O)c1ncccn1 WXC01002 [0,2,0,0,0,0|1,0,0]=3 324 B10R1.15 C[C@H](CN)c1ccccc1 WX600102 [0,2,0,0,0,0|2,0,0]=4 325 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [0,2,0,0,0,0|1,0,0]=3 326 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [0,2,0,0,0,0|2,0,0]=4 327 B10R1.15 c1ccc(cc1)[C@@H](CF)N WXFC0133 [0,2,0,0,0,0|2,0,0]=4 328 B10R1.15 c1ccc(cc1)[C@H](CF)N WXFC0134 [0,2,0,0,0,0|2,0,0]=4 329 B10R1.15 c1ccnc(c1)C(=O)CBr WX631026 [0,2,0,0,0,0|1,0,0]=3 330 B10R1.28 CC(C)(c1ccccc1)N WX600125 [0,2,0,0,0,0|2,0,0]=4 331 B10R1.61 CC(C)c1c(cccn1)O WX645029 [0,2,0,0,0,0|1,0,0]=3 332 B10R1.61 Cc1cccnc1C(=O)O WX619068 [0,2,0,0,0,0|2,0,0]=4 333 B10R1.4 c1cc(c(nc1)CC#N)Cl WX636329 [0,2,0,0,0,0|1,0,1]=4 334 B10R1.20 C#Cc1c(cccn1)CO WXC04351 [0,2,0,0,0,0|1,0,1]=4 335 B10R1.20 COc1c(cccn1)C#N WX683530 [0,2,0,0,0,0|0,0,0]=2 336 B10R1.20 COc1c(cccn1)CCl WX630257 [0,2,0,0,0,0|0,0,0]=2 337 B10R1.20 COc1ccccc1NN WX684227 [0,2,0,0,0,0|1,0,0]=3 338 B10R1.20 c1cc(c(nc1)CBr)C#N WX630234 [0,2,0,0,0,0|2,0,0]=4 339 B10R1.245 COc1c(cccc1Br)O WXC02342 [0,2,0,0,0,0|1,0,0]=3 340 B10R1.245 COc1c(cccc1Cl)F WX633170 [0,2,0,0,0,0|1,0,0]=3 341 B10R2.7 c1c2c(ncn1)CNC2 WX604601 [0,1,0,1,0,0|2,0,0]=4 342 B10R2.7 c1ccc2c(c1)CNC2 WX604071 [0,1,0,1,0,0|2,0,0]=4 343 B6R1.2 Cn1cncn1 WX690050 [1,0,0,0,1,0|2,0,0]=4 344 B6R1.2 c1c(nc[nH]1)F WXC02154 [1,0,0,0,1,0|2,0,0]=4 345 B6R1.2 c1c(nc[nH]1)I WX638027 [1,0,0,0,1,0|2,0,0]=4 346 B6R1.2 c1c[nH]nc1Br WX637314 [1,0,0,0,1,0|2,0,0]=4 347 B6R1.2 c1c[nH]nc1I WX638030 [1,0,0,0,1,0|2,0,0]=4 348 B6R1.2 c1c[nH]nc1N WX609466 [1,0,0,0,1,0|2,0,0]=4 349 B6R1.2 c1cnc([nH]1)Br WX637273 [1,0,0,0,1,0|2,0,0]=4 350 B6R1.2 c1cnc([nH]1)Cl WX636123 [1,0,0,0,1,0|2,0,0]=4 351 B6R1.2 c1cnc([nH]1)I WX638033 [1,0,0,0,1,0|2,0,0]=4 352 B6R1.2 c1coc(n1)N WX609237 [1,0,0,0,1,0|2,0,0]=4 353 B6R1.2 c1conc1N WX609463 [1,0,0,0,1,0|2,0,0]=4 354 B6R1.2 c1csc(n1)Br WX637316 [1,0,0,0,1,0|2,0,0]=4 355 B6R1.2 c1csc(n1)Cl WX636067 [1,0,0,0,1,0|2,0,0]=4