0 B9R1.35 B(c1ccc(s1)C)(O)O WX654056 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.35 CC(=O)c1ccc(s1)Cl WXC03434 [0,0,0,0,0,0|1,1,0]=2 2 B9R1.35 Cc1[nH]cc(n1)C(=O)O WX614001 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.35 Cc1cc([nH]n1)C(=O)O WX614060 [0,0,0,0,0,0|4,0,0]=4 4 B9R1.35 Cc1cc(c[nH]1)C(=O)O WX613080 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.35 Cc1cc(n[nH]1)C(=O)O WX614029 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.35 Cc1cc(no1)C(=O)C WX626024 [0,0,0,0,0,0|3,0,0]=3 7 B9R1.35 Cc1cc(on1)C(=O)O WX614233 [0,0,0,0,0,0|4,0,0]=4 8 B9R1.35 Cc1cc(sc1)C(=O)O WX614259 [0,0,0,0,0,0|3,0,0]=3 9 B9R1.35 Cc1ccc(o1)C(=O)O WX614194 [0,0,0,0,0,0|1,0,0]=1 10 B9R1.35 Cc1ccc(s1)C(=O)O WX614260 [0,0,0,0,0,0|1,1,0]=2 11 B9R1.35 Cc1nc(cs1)C(=O)O WX612033 [0,0,0,0,0,0|3,0,0]=3 12 B9R1.35 Cc1nc(on1)C(=O)O WX613732 [0,0,0,0,0,0|4,0,0]=4 13 B9R1.35 Cc1ncc(s1)C(=O)O WX614123 [0,0,0,0,0,0|2,1,0]=3 14 B9R1.35 Cn1cc(cn1)C(=O)O WX614163 [0,0,0,0,0,0|4,0,0]=4 15 B9R1.35 Cn1cc(nc1)C(=O)O WX614252 [0,0,0,0,0,0|4,0,0]=4 16 B9R1.35 Cn1ccc(c1)C(=O)O WX614122 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.35 Cn1ccc(n1)C(=O)O WX614061 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.35 Cn1cnc(n1)C(=O)O WX614362 [0,0,0,0,0,0|4,0,0]=4 19 B9R1.35 c1c(c[nH]c1C(=O)O)F WXFS0405 [0,0,0,0,0,0|4,0,0]=4 20 B9R1.35 c1c(c[nH]c1Cl)C(=O)O WX614257 [0,0,0,0,0,0|4,0,0]=4 21 B9R1.35 c1c(nc(s1)Br)C(=O)O WX614040 [0,0,0,0,0,0|4,0,0]=4 22 B9R1.35 c1c(nc(s1)Cl)C(=O)O WXC02298 [0,0,0,0,0,0|4,0,0]=4 23 B8R1.1 Cc1[nH]c(cn1)C=O WX624179 [1,0,0,0,0,0|2,0,0]=3 24 B8R1.1 Cc1cc([nH]n1)C=O WX624022 [1,0,0,0,0,0|3,0,0]=4 25 B8R1.1 Cc1cc(no1)C=O WX624054 [1,0,0,0,0,0|3,0,0]=4 26 B8R1.1 Cc1cc(sc1)C=O WX624184 [1,0,0,0,0,0|2,0,0]=3 27 B8R1.1 Cc1ccc([nH]1)C=O WX624113 [1,0,0,0,0,0|1,0,0]=2 28 B8R1.1 Cc1ccc(s1)C=O WX624186 [1,0,0,0,0,0|0,1,0]=2 29 B8R1.1 Cc1ccc(s1)CN WX609036 [1,0,0,0,0,0|1,1,1]=4 30 B8R1.1 Cc1ccc(s1)CN WX609532 [1,0,0,0,0,0|1,1,1]=4 31 B8R1.1 Cc1ccc(s1)CO WX640089 [1,0,0,0,0,0|0,1,2]=4 32 B8R1.1 Cc1csc(n1)C=O WX624189 [1,0,0,0,0,0|2,0,0]=3 33 B8R1.1 Cn1cc(cn1)C=O WX624070 [1,0,0,0,0,0|3,0,0]=4 34 B8R1.1 Cn1ccc(n1)C=O WX624063 [1,0,0,0,0,0|2,0,0]=3 35 B8R1.1 c1c(sc(n1)C=O)Cl WX624028 [1,0,0,0,0,0|2,1,0]=4 36 B8R1.1 c1c(sc(n1)Cl)C=O WX624029 [1,0,0,0,0,0|2,1,0]=4 37 B8R1.7 CC(=O)c1c[nH]cn1 WX626016 [1,0,0,0,0,0|2,0,0]=3 38 B8R1.7 CC(=O)c1cc[nH]n1 WX626051 [1,0,0,0,0,0|2,0,0]=3 39 B8R1.7 CC(=O)c1cncs1 WX626015 [1,0,0,0,0,0|1,1,0]=3 40 B8R1.7 CC(c1cccs1)N WX609033 [1,0,0,0,0,0|1,1,1]=4 41 B8R1.7 CC(c1cccs1)O WX642064 [1,0,0,0,0,0|0,1,2]=4 42 B8R1.7 c1c(nc[nH]1)C(=O)O WX614057 [1,0,0,0,0,0|3,0,0]=4 43 B8R1.7 c1c(nco1)C(=O)O WX614087 [1,0,0,0,0,0|3,0,0]=4 44 B8R1.7 c1c(ncs1)C(=O)N WX619024 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.7 c1c(scn1)C(=O)O WX614255 [1,0,0,0,0,0|2,1,0]=4 46 B8R1.7 c1c[nH]cc1C(=O)O WX614253 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 c1c[nH]nc1C(=O)O WX614216 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 c1cn[nH]c1C(=O)O WX614248 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 c1cnc([nH]1)C(=O)O WX614140 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 c1cnn(c1)C(=O)Cl WX616007 [1,0,0,0,0,0|3,0,0]=4 51 B10R1.14 COC(=O)c1cc([nH]c1)Br WX637266 [0,1,0,0,0,0|3,0,0]=4 52 B10R1.14 COC(=O)c1cc(c[nH]1)Br WX637166 [0,1,0,0,0,0|3,0,0]=4 53 B10R1.14 COC(=O)c1cc(c[nH]1)I WX638068 [0,1,0,0,0,0|3,0,0]=4 54 B10R1.14 COC(=O)c1cc(co1)Br WX637394 [0,1,0,0,0,0|3,0,0]=4 55 B10R1.14 COC(=O)c1ccc([nH]1)Br WX637230 [0,1,0,0,0,0|2,0,0]=3 56 B10R1.14 COC(=O)c1ccc(o1)Br WXC00444 [0,1,0,0,0,0|1,0,0]=2 57 B10R1.14 COC(=O)c1ccc(s1)N WX606104 [0,1,0,0,0,0|1,1,0]=3 58 B10R1.14 COC(=O)c1cnc(s1)Cl WX636127 [0,1,0,0,0,0|2,1,0]=4 59 B10R1.14 Cc1cc(on1)C(=O)OC WX618482 [0,1,0,0,0,0|3,0,0]=4 60 B10R1.14 Cc1nc(sn1)C(=O)OC WX618520 [0,1,0,0,0,0|3,0,0]=4 61 B10R1.14 Cn1cnc(n1)C(=O)OC WXC00431 [0,1,0,0,0,0|3,0,0]=4 62 B10R1.55 Cc1nnc(o1)S(=O)(=O)C WX682922 [0,1,0,0,0,0|3,0,0]=4 63 B10R1.58 Cc1cc(cn1C)C(=O)O WX614322 [0,1,0,0,0,0|3,0,0]=4 64 B10R1.58 Cc1cc(sc1C)C(=O)O WX614033 [0,1,0,0,0,0|1,1,0]=3 65 B10R1.59 CC(=O)c1c(cn(n1)C)N WXC03211 [0,1,0,0,0,0|2,0,0]=3 66 B10R1.59 Cc1c(sc(n1)C)C(=O)O WX614269 [0,1,0,0,0,0|2,1,0]=4 67 B10R1.59 c1c(c(sc1Br)C(=O)O)Br WX614076 [0,1,0,0,0,0|2,1,0]=4 68 B10R1.194 Cc1c(cnn1C)C(=O)C WX626083 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.194 Cc1c(scc1C(=O)O)C WX614379 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.194 Cc1ncc(n1C)C(=O)O WXC00772 [0,1,0,0,0,0|3,0,0]=4 71 B8R0.9 C\C=C(/C)\C=C\C(=O)O WX610042 [0,0,1,0,0,0|2,0,1]=4 72 B10R1.13 CC(=O)c1ccc(cn1)Br WX619067 [0,0,0,0,0,1|2,0,0]=3 73 B10R1.13 CC(=O)c1ccc(nc1)Cl WX626037 [0,0,0,0,0,1|2,0,0]=3 74 B10R1.13 CC(=O)c1ccc(nn1)Cl WXC01382 [0,0,0,0,0,1|2,0,0]=3 75 B10R1.13 Cc1ccc(cn1)C(=O)O WX614214 [0,0,0,0,0,1|2,0,0]=3 76 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] WX609936 [0,0,0,0,0,1|3,0,0]=4 77 B10R1.13 Cc1ccc(nc1)C(=O)O WX614117 [0,0,0,0,0,1|2,0,0]=3 78 B10R1.13 c1cc(ccc1C(=O)N)N WXC02462 [0,0,0,0,0,1|3,0,0]=4 79 B10R1.13 c1cc(ncc1O)C(=O)O WX614146 [0,0,0,0,0,1|3,0,0]=4 80 B10R1.13 c1cc(nnc1C(=O)O)O WX614045 [0,0,0,0,0,1|3,0,0]=4 81 B10R1.54 Cc1c[nH]c(n1)NC(=O)C WX619009 [0,0,0,0,0,1|2,0,0]=3 82 B10R1.54 Cc1nc(cs1)CC(=O)O WX613058 [0,0,0,0,0,1|3,0,0]=4 83 B10R1.54 Cc1nnc(o1)CC(=O)O WX613703 [0,0,0,0,0,1|3,0,0]=4 84 B10R1.54 Cn1ccc(n1)CC(=O)O WX610085 [0,0,0,0,0,1|3,0,0]=4 85 B10R1.54 c1cc(sc1CC(=O)O)Cl WX614378 [0,0,0,0,0,1|2,1,0]=4 86 B10R1.113 CC(=O)c1cc(ccn1)Br WXC02208 [0,0,0,0,0,1|2,0,0]=3 87 B10R1.113 CC(=O)c1cc(ccn1)Cl WX636192 [0,0,0,0,0,1|2,0,0]=3 88 B10R1.113 CC(=O)c1cc(cnc1)Br WX637241 [0,0,0,0,0,1|2,0,0]=3 89 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [0,0,0,0,0,1|2,0,0]=3 90 B10R1.113 CC(=O)c1cccc(n1)Br WX624141 [0,0,0,0,0,1|2,0,0]=3 91 B10R1.113 CC(=O)c1ccnc(c1)Cl WX636120 [0,0,0,0,0,1|2,0,0]=3 92 B10R1.113 Cc1cc(cnc1)C(=O)N WX619274 [0,0,0,0,0,1|2,0,0]=3 93 B10R1.113 Cc1cc(cnc1)C(=O)O WX614246 [0,0,0,0,0,1|2,0,0]=3 94 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [0,0,0,0,0,1|1,0,2]=4 95 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [0,0,0,0,0,1|1,0,2]=4 96 B10R1.113 Cc1cccc(n1)C(=N)N WXC03164 [0,0,0,0,0,1|3,0,0]=4 97 B10R1.113 Cc1cccc(n1)C(=O)O WX614192 [0,0,0,0,0,1|2,0,0]=3 98 B10R1.113 Cc1ccnc(c1)C(=N)N WXC03165 [0,0,0,0,0,1|3,0,0]=4 99 B10R1.113 Cc1ccnc(c1)C(=O)O WX614114 [0,0,0,0,0,1|2,0,0]=3 100 B10R1.113 Cc1nccc(n1)C(=O)O WX614004 [0,0,0,0,0,1|2,0,0]=3 101 B10R1.113 c1c(cncc1Cl)C(=O)O WX614059 [0,0,0,0,0,1|3,0,0]=4 102 B10R1.113 c1c(cncc1F)C(=O)N WXC01409 [0,0,0,0,0,1|3,0,0]=4 103 B10R1.113 c1c(cncc1F)C(=O)O WX614202 [0,0,0,0,0,1|3,0,0]=4 104 B10R1.113 c1c(nc(cn1)Cl)C(=O)O WX614271 [0,0,0,0,0,1|3,0,0]=4 105 B10R1.113 c1cc(nc(c1)Cl)C(=O)O WX614070 [0,0,0,0,0,1|3,0,0]=4 106 B10R1.113 c1cnc(cc1Br)C(=O)O WX614145 [0,0,0,0,0,1|3,0,0]=4 107 B10R1.113 c1cnc(cc1C(=O)O)F WX614285 [0,0,0,0,0,1|3,0,0]=4 108 B7R1.1 CNc1ncco1 WX606024 [2,0,0,0,0,0|2,0,0]=4 109 B7R1.1 c1c(nc[nH]1)C=O WX624178 [2,0,0,0,0,0|2,0,0]=4 110 B7R1.1 c1c(scn1)C=O WX624055 [2,0,0,0,0,0|1,1,0]=4 111 B7R1.1 c1c[nH]nc1C=O WX624059 [2,0,0,0,0,0|2,0,0]=4 112 B7R1.1 c1conc1C=O WX624030 [2,0,0,0,0,0|2,0,0]=4 113 B7R1.1 c1csc(n1)C=O WX624188 [2,0,0,0,0,0|1,1,0]=4 114 B7R1.2 Cc1cnc(o1)N WX606013 [2,0,0,0,0,0|2,0,0]=4 115 B9R1.22 Cc1c(sc(n1)C)C=O WX624192 [1,1,0,0,0,0|1,1,0]=4 116 B9R1.22 Cc1cc([nH]c1C=O)C WX624103 [1,1,0,0,0,0|1,0,0]=3 117 B9R1.132 Cc1csc(c1Cl)C=O WX624068 [1,1,0,0,0,0|2,0,0]=4 118 B9R1.11 CCC(=O)c1ccc[nH]1 WX626090 [1,1,0,0,0,0|1,0,0]=3 119 B9R1.11 COC(=O)c1cc[nH]c1 WX618371 [1,1,0,0,0,0|2,0,0]=4 120 B9R1.11 COC(=O)c1ccc[nH]1 WX618294 [1,1,0,0,0,0|1,0,0]=3 121 B9R1.11 c1cc(oc1)C(CN)O WX600098 [1,1,0,0,0,0|0,0,2]=4 122 B9R1.41 CC(=O)c1ccnn1C WX626017 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.41 Cc1c(ocn1)C(=O)O WX614136 [1,1,0,0,0,0|2,0,0]=4 124 B9R1.41 c1coc(c1Br)C(=O)O WX614376 [1,1,0,0,0,0|1,0,0]=3 125 B11R1.3 CCc1ccc(cn1)C(=O)O WXC00284 [0,1,0,0,0,1|2,0,0]=4 126 B11R1.22 CNC(=O)c1ccc(cc1)N WX609521 [0,1,0,0,0,1|2,0,0]=4 127 B11R1.22 COC(=O)c1ccc(cn1)N WX609344 [0,1,0,0,0,1|2,0,0]=4 128 B11R1.22 COC(=O)c1ccc(nc1)Cl WXC00297 [0,1,0,0,0,1|2,0,0]=4 129 B11R1.22 COC(=O)c1ccc(nn1)Br WX633109 [0,1,0,0,0,1|2,0,0]=4 130 B11R1.22 Cc1ccc(cn1)C(=O)OC WX618268 [0,1,0,0,0,1|1,0,0]=3 131 B11R1.22 Cc1ccc(nc1)C(=O)OC WX618024 [0,1,0,0,0,1|1,0,0]=3 132 B11R1.22 Cc1cnc(cn1)C(=O)OC WX618477 [0,1,0,0,0,1|2,0,0]=4 133 B11R1.22 c1cc(nnc1C(=O)CBr)Cl WXC01378 [0,1,0,0,0,1|2,0,0]=4 134 B11R1.166 CC(=O)c1ccc(cc1O)Br WX626004 [0,1,0,0,0,1|2,0,0]=4 135 B11R1.166 Cc1ccc(c(c1)F)C(=O)O WX612018 [0,1,0,0,0,1|2,0,0]=4 136 B11R1.23 CNC(=O)c1cccc(c1)O WX645087 [0,1,0,0,0,1|2,0,0]=4 137 B11R1.23 COC(=O)c1cc(ccn1)N WX609078 [0,1,0,0,0,1|2,0,0]=4 138 B11R1.23 COC(=O)c1cc(cnc1)Cl WXC01375 [0,1,0,0,0,1|2,0,0]=4 139 B11R1.23 COC(=O)c1cccc(n1)F WXC01793 [0,1,0,0,0,1|2,0,0]=4 140 B11R1.23 COC(=O)c1cncc(=O)[nH]1 WX618240 [0,1,0,0,0,1|2,0,0]=4 141 B11R1.23 Cc1cc(cnc1)C(=O)OC WX618562 [0,1,0,0,0,1|1,0,0]=3 142 B11R1.23 Cc1cccc(c1)C(=O)NN WXC04412 [0,1,0,0,0,1|2,0,0]=4 143 B11R1.23 c1cc(cc(c1)Br)C(=O)CN WX602205 [0,1,0,0,0,1|2,0,0]=4 144 B11R1.74 CC(=O)c1cc(nc(c1)Cl)Cl WX636040 [0,1,0,0,0,1|2,0,0]=4 145 B11R1.74 Cc1cc(cc(n1)C)C(=O)O WX614204 [0,1,0,0,0,1|2,0,0]=4 146 B11R1.74 Cc1cc(nc(c1)C(=O)O)C WX614272 [0,1,0,0,0,1|2,0,0]=4 147 B11R1.74 Cc1nc(cc(n1)O)C(=O)O WX614154 [0,1,0,0,0,1|2,0,0]=4 148 B11R1.159 Cc1c(cccc1Br)C(=O)C WXC02293 [0,1,0,0,0,1|2,0,0]=4 149 B11R1.167 CC(=O)c1cc(ccc1Br)O WX645034 [0,1,0,0,0,1|2,0,0]=4 150 B11R1.167 CC(=O)c1cc(ccc1F)Br WX626031 [0,1,0,0,0,1|2,0,0]=4 151 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O WX614044 [0,1,0,0,0,1|2,0,0]=4 152 B11R1.266 CC(=O)c1cccc(c1)CBr WX630200 [0,1,0,0,0,1|1,0,0]=3 153 B11R1.15 CCOC(=O)c1cnc(s1)C WX618275 [0,2,0,0,0,0|1,1,0]=4 154 B11R1.15 CCOC(=O)c1csc(n1)C WX618254 [0,2,0,0,0,0|2,0,0]=4 155 B11R1.44 COC(=O)c1coc(n1)CCl WX630102 [0,2,0,0,0,0|2,0,0]=4 156 B11R1.44 COC(=O)c1csc(n1)CN WX600192 [0,2,0,0,0,0|2,0,0]=4 157 B11R1.225 Cc1cc(c([nH]1)C)C(=O)OC WXC04289 [0,2,0,0,0,0|2,0,0]=4 158 B11R1.225 Cc1cc(c(s1)Br)C(=O)OC WX637218 [0,2,0,0,0,0|2,0,0]=4 159 B11R1.225 Cc1cc(c(s1)N)C(=O)OC WX609362 [0,2,0,0,0,0|2,0,0]=4 160 B11R1.225 Cc1cc(oc1C(=O)OC)Br WXC03034 [0,2,0,0,0,0|1,0,0]=3 161 B11R1.226 COC(=O)c1cc(c([nH]1)Cl)Cl WX636266 [0,2,0,0,0,0|2,0,0]=4 162 B11R1.226 COC(=O)c1cc(c(o1)Br)Br WX637393 [0,2,0,0,0,0|1,0,0]=3 163 B11R1.175 CN(C)c1ncc(o1)C(=O)O WXC00159 [0,2,0,0,0,0|2,0,0]=4 164 B9R1.69 Cc1c(cnc(n1)C)O WX649102 [0,0,1,1,0,0|2,0,0]=4 165 B9R1.69 Cc1ccc(c(n1)C)O WX649106 [0,0,1,1,0,0|1,0,0]=3 166 B9R1.2 Cc1cc(ccn1)C=O WX624158 [1,0,0,0,0,1|1,0,0]=3 167 B9R1.2 Cc1cccc(n1)C=O WX624173 [1,0,0,0,0,1|1,0,0]=3 168 B9R1.2 Cc1ccnc(c1)C=O WX624021 [1,0,0,0,0,1|1,0,0]=3 169 B9R1.2 Cc1cncc(n1)C=O WX624023 [1,0,0,0,0,1|1,0,0]=3 170 B9R1.2 c1c(cncc1Cl)C=O WX624175 [1,0,0,0,0,1|2,0,0]=4 171 B9R1.2 c1cnc(cc1C=O)O WX624062 [1,0,0,0,0,1|2,0,0]=4 172 B9R1.13 c1cc([nH]c1)CC(=O)N WX619054 [1,0,0,0,0,1|2,0,0]=4 173 B9R1.13 c1cc(oc1)CC(=O)O WX610351 [1,0,0,0,0,1|1,0,0]=3 174 B11R1.20 CC(=O)OC1C=CC(=O)CO1 WXC00638 [0,0,0,0,0,2|1,0,1]=4 175 B11R1.20 CC(=O)Oc1ccc(cc1)O WX645067 [0,0,0,0,0,2|2,0,0]=4 176 B11R1.75 Cc1ccc(s1)CCC(=O)O WX613197 [0,0,0,0,0,2|1,1,0]=4