0 B8R1.1 C(c1nc([nH]n1)N)O WXC01702 [0,0,0,0,0,0|4,0,0]=4 1 B8R1.1 CCc1cc(no1)N WX609361 [0,0,0,0,0,0|3,1,0]=4 2 B8R1.1 Cc1[nH]c(cn1)CO WX640040 [0,0,0,0,0,0|3,0,1]=4 3 B8R1.1 Cc1cc([nH]n1)CO WX640223 [0,0,0,0,0,0|4,0,0]=4 4 B8R1.1 Cc1cc([nH]n1)CO WX640340 [0,0,0,0,0,0|4,0,0]=4 5 B8R1.1 Cc1cc(no1)CCl WX630329 [0,0,0,0,0,0|4,0,0]=4 6 B8R1.1 Cc1cc(no1)CN WX603005 [0,0,0,0,0,0|4,0,0]=4 7 B8R1.1 Cc1cc(no1)CO WX640214 [0,0,0,0,0,0|4,0,0]=4 8 B8R1.1 Cc1cc(sc1)C=O WX624184 [0,0,0,0,0,0|2,0,1]=3 9 B8R1.1 Cc1cc(sc1)CN WX609034 [0,0,0,0,0,0|2,0,0]=2 10 B8R1.1 Cc1cc(sc1)CO WX640133 [0,0,0,0,0,0|2,0,0]=2 11 B8R1.1 Cc1ccc([nH]1)C=O WX624113 [0,0,0,0,0,0|2,0,2]=4 12 B8R1.1 Cc1ccc(s1)C=O WX624186 [0,0,0,0,0,0|3,0,1]=4 13 B8R1.1 Cc1ccc(s1)CN WX609036 [0,0,0,0,0,0|3,0,0]=3 14 B8R1.1 Cc1ccc(s1)CN WX609532 [0,0,0,0,0,0|3,0,0]=3 15 B8R1.1 Cc1ccc(s1)CO WX640089 [0,0,0,0,0,0|3,0,0]=3 16 B8R1.1 Cc1coc(n1)CN WX600286 [0,0,0,0,0,0|1,1,0]=2 17 B8R1.1 Cc1csc(n1)C=O WX624189 [0,0,0,0,0,0|1,0,1]=2 18 B8R1.1 Cc1nc(cs1)CCl WX630019 [0,0,0,0,0,0|3,0,0]=3 19 B8R1.1 Cc1nc(cs1)CCl WX630294 [0,0,0,0,0,0|3,0,0]=3 20 B8R1.1 Cc1nc(no1)CN WX607090 [0,0,0,0,0,0|3,0,0]=3 21 B8R1.1 Cc1nc(sn1)NC WX607032 [0,0,0,0,0,0|2,0,0]=2 22 B8R1.1 Cc1ncc(s1)CCl WX630056 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 Cc1ncc(s1)CN WX609044 [0,0,0,0,0,0|4,0,0]=4 24 B8R1.1 Cc1ncc(s1)CO WX640102 [0,0,0,0,0,0|4,0,0]=4 25 B8R1.1 Cc1nnc(o1)CCl WX630238 [0,0,0,0,0,0|4,0,0]=4 26 B8R1.1 Cc1nnc(s1)NC WX607037 [0,0,0,0,0,0|4,0,0]=4 27 B8R1.1 Cn1cc(nc1)CO WX640041 [0,0,0,0,0,0|4,0,0]=4 28 B8R1.1 Cn1ccc(n1)C=O WX624063 [0,0,0,0,0,0|3,0,1]=4 29 B8R1.1 Cn1ccc(n1)CO WX640316 [0,0,0,0,0,0|3,0,0]=3 30 B8R1.1 c1c(nc(s1)CBr)Br WX630096 [0,0,0,0,0,0|2,0,0]=2 31 B8R1.1 c1c(nc(s1)CO)Br WX637096 [0,0,0,0,0,0|2,0,0]=2 32 B7R1.1 CNc1cc[nH]n1 WX606026 [1,0,0,0,0,0|3,0,0]=4 33 B7R1.1 CNc1ccon1 WX606025 [1,0,0,0,0,0|3,0,0]=4 34 B7R1.1 CNc1ccon1 WX606070 [1,0,0,0,0,0|3,0,0]=4 35 B7R1.1 CNc1ncco1 WX606024 [1,0,0,0,0,0|1,1,0]=3 36 B7R1.1 CNc1nncs1 WX607061 [1,0,0,0,0,0|2,0,0]=3 37 B7R1.1 CSc1cc[nH]n1 WXC00642 [1,0,0,0,0,0|3,0,0]=4 38 B7R1.1 c1c(nc[nH]1)CN WX603089 [1,0,0,0,0,0|3,0,0]=4 39 B7R1.1 c1c(nc[nH]1)CO WX640292 [1,0,0,0,0,0|3,0,0]=4 40 B7R1.1 c1c(nco1)CO WX640327 [1,0,0,0,0,0|3,0,0]=4 41 B7R1.1 c1c(ncs1)CN WX603101 [1,0,0,0,0,0|3,0,0]=4 42 B7R1.1 c1c(scn1)CCl WXC04167 [1,0,0,0,0,0|3,0,0]=4 43 B7R1.1 c1c(scn1)CN WX609040 [1,0,0,0,0,0|3,0,0]=4 44 B7R1.1 c1c[nH]nc1CN WX603026 [1,0,0,0,0,0|3,0,0]=4 45 B7R1.1 c1c[nH]nc1CN WXC04668 [1,0,0,0,0,0|3,0,0]=4 46 B7R1.1 c1cc(sc1)CO WX640288 [1,0,0,0,0,0|2,0,0]=3 47 B7R1.1 c1cnc([nH]1)CN WX609045 [1,0,0,0,0,0|2,0,0]=3 48 B7R1.1 c1cnc([nH]1)CO WXC03352 [1,0,0,0,0,0|2,0,0]=3 49 B7R1.1 c1conc1CBr WX630236 [1,0,0,0,0,0|3,0,0]=4 50 B7R1.1 c1conc1CN WX603172 [1,0,0,0,0,0|3,0,0]=4 51 B7R1.1 c1csc(n1)C=O WX624188 [1,0,0,0,0,0|1,0,1]=3 52 B7R1.1 c1csc(n1)CO WX640084 [1,0,0,0,0,0|1,0,0]=2 53 B7R1.1 c1nc(no1)CN WX607091 [1,0,0,0,0,0|3,0,0]=4 54 B7R1.2 Cc1[nH]cc(n1)Br WX637072 [1,0,0,0,0,0|2,0,0]=3 55 B7R1.2 Cc1[nH]cc(n1)I WXC02628 [1,0,0,0,0,0|2,0,0]=3 56 B7R1.2 Cc1cc(sn1)Br WX637331 [1,0,0,0,0,0|3,0,0]=4 57 B7R1.2 Cc1cn(cn1)C WX690226 [1,0,0,0,0,0|3,0,0]=4 58 B7R1.2 Cc1cnc([nH]1)I WX638055 [1,0,0,0,0,0|2,0,1]=4 59 B7R1.2 Cc1cnc(o1)N WX606013 [1,0,0,0,0,0|3,0,0]=4 60 B7R1.2 Cc1cnc(s1)Br WX637317 [1,0,0,0,0,0|3,0,0]=4 61 B7R1.2 Cc1cnc(s1)N WX609460 [1,0,0,0,0,0|3,0,0]=4 62 B7R1.2 Cc1coc(n1)N WX609465 [1,0,0,0,0,0|1,1,0]=3 63 B7R1.2 Cc1csc(n1)Br WX637318 [1,0,0,0,0,0|1,0,0]=2 64 B7R1.2 Cc1csc(n1)Cl WX636051 [1,0,0,0,0,0|1,0,0]=2 65 B7R1.2 Cc1csc(n1)N WX609462 [1,0,0,0,0,0|1,0,0]=2 66 B7R1.2 Cc1nc(sn1)Br WX637380 [1,0,0,0,0,0|2,0,0]=3 67 B7R1.2 Cc1nc(sn1)N WX609094 [1,0,0,0,0,0|2,0,0]=3 68 B7R1.2 Cn1ccc(n1)Br WX637315 [1,0,0,0,0,0|3,0,0]=4 69 B7R1.2 Cn1ccc(n1)I WX638065 [1,0,0,0,0,0|3,0,0]=4 70 B7R1.2 Cn1ccc(n1)N WX609467 [1,0,0,0,0,0|3,0,0]=4 71 B7R1.2 Cn1cnc(n1)Br WX637399 [1,0,0,0,0,0|3,0,0]=4 72 B7R1.2 Cn1cnc(n1)N WX609394 [1,0,0,0,0,0|3,0,0]=4 73 B7R1.2 Cn1ncc(n1)Br WX637358 [1,0,0,0,0,0|3,0,0]=4 74 B7R1.2 c1c(nc(s1)Cl)Cl WX636073 [1,0,0,0,0,0|2,0,0]=3 75 B9R1.7 Cc1nc(no1)CCN WX607104 [0,1,0,0,0,0|2,0,0]=3 76 B9R1.7 Cc1nc(no1)CNC WX607092 [0,1,0,0,0,0|2,0,0]=3 77 B9R1.7 Cn1cc(nc1)CCN WX600156 [0,1,0,0,0,0|3,0,0]=4 78 B9R1.21 CCn1cc(cn1)CO WX640358 [0,1,0,0,0,0|3,0,0]=4 79 B9R1.22 Cn1cc(c(n1)OC)N WX609507 [0,1,0,0,0,0|3,0,0]=4 80 B9R1.23 Cc1cc(nn1C)NC WX607141 [0,1,0,0,0,0|3,0,0]=4 81 B9R1.23 Cn1c(cc(n1)SC)N WXC01047 [0,1,0,0,0,0|3,0,0]=4 82 B9R1.35 B(c1cc(cs1)C)(O)O WX654055 [0,1,0,0,0,0|3,0,0]=4 83 B9R1.35 Cc1cc(sc1)C(=O)O WX614259 [0,1,0,0,0,0|2,0,1]=4 84 B9R1.132 Cc1csc(c1Cl)C=O WX624068 [0,1,0,0,0,0|2,0,1]=4 85 B9R1.1 CCc1ccc(nc1)Cl WX636306 [0,0,0,0,0,1|2,0,0]=3 86 B9R1.1 COc1ccc(nc1)Cl WX636208 [0,0,0,0,0,1|3,0,0]=4 87 B9R1.1 COc1ccc(nn1)Cl WXC00277 [0,0,0,0,0,1|3,0,0]=4 88 B9R1.1 COc1ccc(nn1)N WX609426 [0,0,0,0,0,1|3,0,0]=4 89 B9R1.1 COc1ncc(cn1)Br WX637017 [0,0,0,0,0,1|3,0,0]=4 90 B9R1.1 COc1ncc(cn1)I WXC02564 [0,0,0,0,0,1|3,0,0]=4 91 B9R1.1 Cc1ccc(cn1)CN WX603042 [0,0,0,0,0,1|2,0,0]=3 92 B9R1.1 Cc1ccc(nc1)CN WX609025 [0,0,0,0,0,1|2,0,0]=3 93 B9R1.1 Cc1ccc(nc1)CO WX640119 [0,0,0,0,0,1|2,0,0]=3 94 B9R1.1 Cc1cnc(nc1)CN WX603033 [0,0,0,0,0,1|2,0,0]=3 95 B9R1.1 Cc1cnc(nc1)CN WX603126 [0,0,0,0,0,1|2,0,0]=3 96 B9R1.1 Cc1cnc(nc1)CO WX640115 [0,0,0,0,0,1|2,0,0]=3 97 B9R1.1 c1c(cnc(n1)CF)O WX649079 [0,0,0,0,0,1|3,0,0]=4 98 B9R1.1 c1c(cnc(n1)CN)F WXFC0143 [0,0,0,0,0,1|3,0,0]=4 99 B9R1.1 c1c(cnc(n1)CO)O WX640204 [0,0,0,0,0,1|3,0,0]=4 100 B9R1.1 c1cc(ncc1Br)CN WX603129 [0,0,0,0,0,1|3,0,0]=4 101 B9R1.1 c1cc(ncc1CO)Cl WX640287 [0,0,0,0,0,1|3,0,0]=4 102 B9R1.1 c1cc(ncc1N)CN WXC02330 [0,0,0,0,0,1|3,0,0]=4 103 B9R1.2 CCc1nccc(n1)Cl WXC04098 [0,0,0,0,0,1|2,0,0]=3 104 B9R1.2 CCc1nccc(n1)O WXC04103 [0,0,0,0,0,1|2,0,0]=3 105 B9R1.2 CNc1ccnc(n1)Cl WX636026 [0,0,0,0,0,1|3,0,0]=4 106 B9R1.2 CNc1nccc(n1)Cl WX636033 [0,0,0,0,0,1|3,0,0]=4 107 B9R1.2 COc1cccc(n1)I WXC00054 [0,0,0,0,0,1|3,0,0]=4 108 B9R1.2 COc1ccnc(n1)N WXC01071 [0,0,0,0,0,1|3,0,0]=4 109 B9R1.2 COc1nccc(n1)N WX609476 [0,0,0,0,0,1|3,0,0]=4 110 B9R1.2 CSc1nccc(n1)I WX638004 [0,0,0,0,0,1|3,0,0]=4 111 B9R1.2 CSc1nccc(n1)N WX609363 [0,0,0,0,0,1|3,0,0]=4 112 B9R1.2 Cc1cc(ccn1)CN WX609039 [0,0,0,0,0,1|3,0,0]=4 113 B9R1.2 Cc1cc(cnc1)CN WX603037 [0,0,0,0,0,1|3,0,0]=4 114 B9R1.2 Cc1cc(cnc1)CN WX603115 [0,0,0,0,0,1|3,0,0]=4 115 B9R1.2 Cc1cc(cnc1)CO WX640286 [0,0,0,0,0,1|3,0,0]=4 116 B9R1.2 Cc1cccc(n1)C=O WX624173 [0,0,0,0,0,1|2,0,1]=4 117 B9R1.2 Cc1cccc(n1)CCl WX630176 [0,0,0,0,0,1|2,0,0]=3 118 B9R1.2 Cc1cccc(n1)CN WX609028 [0,0,0,0,0,1|2,0,0]=3 119 B9R1.2 Cc1cccc(n1)NN WXC01942 [0,0,0,0,0,1|3,0,0]=4 120 B9R1.2 Cc1ccnc(c1)CN WX603045 [0,0,0,0,0,1|3,0,0]=4 121 B9R1.2 Cc1ccnc(n1)CN WX603032 [0,0,0,0,0,1|2,0,0]=3 122 B9R1.2 Cc1ccnc(n1)CO WX640137 [0,0,0,0,0,1|2,0,0]=3 123 B9R1.2 Cc1cncc(n1)C=O WX624023 [0,0,0,0,0,1|2,0,1]=4 124 B9R1.2 c1c(nc(cn1)Cl)CO WX636325 [0,0,0,0,0,1|3,0,0]=4 125 B9R1.2 c1cc(nc(c1)Br)CBr WX630170 [0,0,0,0,0,1|3,0,0]=4 126 B6R1.2 Cn1cncn1 WX690050 [2,0,0,0,0,0|2,0,0]=4 127 B6R1.2 c1c(nc[nH]1)F WXC02154 [2,0,0,0,0,0|2,0,0]=4 128 B6R1.2 c1c(nc[nH]1)I WX638027 [2,0,0,0,0,0|2,0,0]=4 129 B6R1.2 c1cnc([nH]1)Br WX637273 [2,0,0,0,0,0|2,0,0]=4 130 B6R1.2 c1cnc([nH]1)Cl WX636123 [2,0,0,0,0,0|2,0,0]=4 131 B6R1.2 c1cnc([nH]1)I WX638033 [2,0,0,0,0,0|2,0,0]=4 132 B6R1.2 c1coc(n1)N WX609237 [2,0,0,0,0,0|1,1,0]=4 133 B6R1.2 c1csc(n1)Br WX637316 [2,0,0,0,0,0|1,0,0]=3 134 B6R1.2 c1csc(n1)Cl WX636067 [2,0,0,0,0,0|1,0,0]=3 135 B6R1.2 c1nc(sn1)N WX609092 [2,0,0,0,0,0|2,0,0]=4 136 B6R1.2 c1nnc(s1)Br WX637044 [2,0,0,0,0,0|2,0,0]=4 137 B8R1.7 CC(c1[nH]ccn1)N WX603123 [1,1,0,0,0,0|1,0,0]=3 138 B8R1.7 CC(c1[nH]ccn1)N WX609071 [1,1,0,0,0,0|1,0,0]=3 139 B8R1.7 CC(c1c[nH]cn1)O WX642070 [1,1,0,0,0,0|2,0,0]=4 140 B8R1.7 CC(c1cc[nH]n1)N WXC00799 [1,1,0,0,0,0|2,0,0]=4 141 B8R1.7 CC(c1cccs1)N WX609033 [1,1,0,0,0,0|1,0,0]=3 142 B8R1.7 CC(c1cccs1)O WX642064 [1,1,0,0,0,0|1,0,0]=3 143 B8R1.7 CC(c1cncs1)N WX609041 [1,1,0,0,0,0|2,0,0]=4 144 B8R1.8 CNCc1[nH]ccn1 WX609046 [1,1,0,0,0,0|1,0,0]=3 145 B8R1.8 CNCc1cncs1 WX609042 [1,1,0,0,0,0|2,0,0]=4 146 B8R1.8 c1cc(oc1)CCO WX640320 [1,1,0,0,0,0|1,1,0]=4 147 B8R1.8 c1cc(sc1)CCN WX600201 [1,1,0,0,0,0|1,0,0]=3 148 B8R1.8 c1cnn(c1)CCBr WX630022 [1,1,0,0,0,0|2,0,0]=4 149 B8R1.11 Cc1ccsc1CN WX609035 [1,1,0,0,0,0|2,0,0]=4 150 B8R1.11 Cc1ccsc1CO WX640140 [1,1,0,0,0,0|2,0,0]=4 151 B8R1.11 Cn1ccnc1CN WX609047 [1,1,0,0,0,0|2,0,0]=4 152 B8R1.18 Cc1c(cn(n1)C)Br WX637333 [1,1,0,0,0,0|2,0,0]=4 153 B8R1.18 Cc1c(cn(n1)C)N WX609169 [1,1,0,0,0,0|2,0,0]=4 154 B8R1.18 Cc1c(cn(n1)C)N WX609493 [1,1,0,0,0,0|2,0,0]=4 155 B8R1.18 Cc1c(sc(n1)N)C WX606003 [1,1,0,0,0,0|1,0,0]=3 156 B8R1.18 Cc1cc(n(n1)C)I WX638066 [1,1,0,0,0,0|2,0,0]=4 157 B8R1.18 Cc1cn(c(n1)Br)C WX637337 [1,1,0,0,0,0|2,0,0]=4 158 B8R1.18 Cc1nc(cn1C)Br WX637065 [1,1,0,0,0,0|2,0,0]=4 159 B10R1.1 CCOc1ccc(nc1)Br WX637261 [0,1,0,0,0,1|2,0,0]=4 160 B10R1.1 Cc1cnc(nc1)CCN WX607133 [0,1,0,0,0,1|1,0,0]=3 161 B10R1.1 c1c(cnc(n1)CCO)O WX649071 [0,1,0,0,0,1|2,0,0]=4 162 B10R1.13 CC(c1ncc(cn1)O)O WX649075 [0,1,0,0,0,1|2,0,0]=4 163 B10R1.13 C[C@@H](c1ncc(cn1)O)O WX649103 [0,1,0,0,0,1|2,0,0]=4 164 B10R1.8 CCc1nc(nc(n1)Cl)N WXC01049 [0,1,0,0,0,1|2,0,0]=4 165 B10R1.8 Cc1cc(nc(n1)SC)Cl WX636007 [0,1,0,0,0,1|2,0,0]=4 166 B10R1.8 Cc1nc(nc(n1)Cl)NC WXC01053 [0,1,0,0,0,1|2,0,0]=4 167 B10R1.10 CCOc1cccc(n1)Br WX633197 [0,1,0,0,0,1|2,0,0]=4 168 B10R1.10 CCOc1cncc(n1)Cl WX636215 [0,1,0,0,0,1|2,0,0]=4 169 B10R1.30 Cc1ccc(c(n1)CO)O WX640367 [0,1,0,0,0,1|2,0,0]=4 170 B10R1.113 CC(C)c1nccc(n1)Cl WXC04099 [0,1,0,0,0,1|2,0,0]=4 171 B10R1.113 CC(C)c1nccc(n1)O WXC04102 [0,1,0,0,0,1|2,0,0]=4 172 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [0,1,0,0,0,1|2,0,0]=4 173 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [0,1,0,0,0,1|2,0,0]=4 174 B10R1.14 Cc1nc(sn1)C(=O)OC WX618520 [0,2,0,0,0,0|1,0,1]=4 175 B10R1.16 Cc1ccc(s1)CCCN WX607136 [0,2,0,0,0,0|2,0,0]=4 176 B10R1.16 Cc1ccc(s1)CCCN WXC02874 [0,2,0,0,0,0|2,0,0]=4 177 B10R1.16 Cc1nc(no1)CCNC WX607105 [0,2,0,0,0,0|2,0,0]=4 178 B10R1.54 Cc1c[nH]c(n1)NC(=O)C WX619009 [0,2,0,0,0,0|1,0,1]=4 179 B10R1.130 Cc1cc(n(n1)CCBr)C WX630090 [0,2,0,0,0,0|2,0,0]=4 180 B10R1.130 Cc1cc(n(n1)CCN)C WX600115 [0,2,0,0,0,0|2,0,0]=4 181 B10R1.31 CC(C)c1nc(no1)CN WX607088 [0,2,0,0,0,0|1,1,0]=4