0 B10R1.61 B(c1cccnc1C)(O)O WX654053 [0,0,0,0,0,0|3,0,1]=4 1 B10R1.61 CC(C)c1c(cccn1)O WX645029 [0,0,0,0,0,0|3,0,1]=4 2 B10R1.61 Cc1c(cccn1)C(=O)O WX614245 [0,0,0,0,0,0|2,0,0]=2 3 B10R1.61 Cc1cccnc1C(=O)O WX619068 [0,0,0,0,0,0|2,0,0]=2 4 B10R1.61 Cc1ccncc1C(=O)O WX614191 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.61 Cc1cnccc1C(=O)O WX614130 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.61 c1cc(c(nc1)Br)[N+](=O)[O-] WX637155 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.6 CC(c1ccccn1)N WX609027 [1,0,0,0,0,0|2,0,1]=4 8 B9R1.6 CC(c1ccccn1)O WX642039 [1,0,0,0,0,0|1,0,2]=4 9 B9R1.6 CC(c1cccnc1)N WX609031 [1,0,0,0,0,0|2,0,1]=4 10 B9R1.6 CC(c1cccnc1)O WX642141 [1,0,0,0,0,0|1,0,2]=4 11 B9R1.6 c1c(cncn1)C(=O)O WX614058 [1,0,0,0,0,0|3,0,0]=4 12 B9R1.6 c1cc(cnc1)[N+](=O)[O-] WXC00124 [1,0,0,0,0,0|3,0,0]=4 13 B9R1.6 c1ccnc(c1)C(=N)N WX619917 [1,0,0,0,0,0|3,0,0]=4 14 B9R1.6 c1cnc(nc1)C(=O)O WX614147 [1,0,0,0,0,0|3,0,0]=4 15 B9R1.6 c1cncnc1C(=O)O WX614254 [1,0,0,0,0,0|3,0,0]=4 16 B9R1.15 CCc1c(cccn1)O WX649107 [1,0,0,0,0,0|2,0,1]=4 17 B9R1.15 CCc1cccnc1Cl WX636307 [1,0,0,0,0,0|2,0,1]=4 18 B9R1.15 CNc1c(cccn1)N WX609203 [1,0,0,0,0,0|3,0,0]=4 19 B9R1.15 CNc1c(cccn1)N WX609509 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.15 COc1c(cccn1)Br WX637046 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.15 COc1c(nccn1)Cl WX636117 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.15 Cc1c(cccn1)CN WX603047 [1,0,0,0,0,0|2,0,1]=4 23 B9R1.15 Cc1c(cccn1)CO WX640263 [1,0,0,0,0,0|1,0,2]=4 24 B9R1.15 Cc1cccnc1C=O WX624058 [1,0,0,0,0,0|1,0,0]=2 25 B9R1.15 Cc1cccnc1CN WX609026 [1,0,0,0,0,0|2,0,1]=4 26 B9R1.15 Cc1cccnc1CO WX640138 [1,0,0,0,0,0|1,0,2]=4 27 B9R1.15 c1cc(c(nc1)Cl)C=O WX624177 [1,0,0,0,0,0|2,0,0]=3 28 B9R1.15 c1cnc(c(n1)C#N)Br WXC02871 [1,0,0,0,0,0|2,0,1]=4 29 B9R1.15 c1cnc(c(n1)CN)Cl WX603054 [1,0,0,0,0,0|2,0,1]=4 30 B9R1.15 c1cnc(c(n1)NN)Cl WX684220 [1,0,0,0,0,0|3,0,0]=4 31 B11R1.53 CNc1cccnc1[N+](=O)[O-] WX606023 [0,1,0,0,0,0|3,0,0]=4 32 B11R1.156 CC(=O)c1c(cccc1Br)F WX633079 [0,1,0,0,0,0|3,0,0]=4 33 B11R1.156 CC(=O)c1c(ccnc1Cl)Cl WX636165 [0,1,0,0,0,0|2,0,0]=3 34 B11R1.156 Cc1c(c(ccn1)Cl)[N+](=O)[O-] WX636079 [0,1,0,0,0,0|3,0,0]=4 35 B11R1.159 Cc1c(cccc1Br)C(=O)C WXC02293 [0,1,0,0,0,0|2,0,0]=3 36 B11R1.159 Cc1c(ncnc1C(=O)O)C WX614375 [0,1,0,0,0,0|3,0,0]=4 37 B11R1.166 CC(=O)c1ccc(cc1O)Br WX626004 [0,1,0,0,0,0|3,0,0]=4 38 B11R1.166 Cc1c(ccc(n1)Cl)C(=O)O WX614340 [0,1,0,0,0,0|2,0,0]=3 39 B11R1.166 Cc1c(ccc(n1)N)[N+](=O)[O-] WX609144 [0,1,0,0,0,0|3,0,0]=4 40 B11R1.166 Cc1c(ccc(n1)O)[N+](=O)[O-] WX609907 [0,1,0,0,0,0|3,0,0]=4 41 B11R1.166 c1c(nc(c(n1)C(=O)O)Cl)Cl WX614383 [0,1,0,0,0,0|2,0,0]=3 42 B11R1.166 c1cc(nc(c1C(=O)N)Cl)Cl WXC03960 [0,1,0,0,0,0|3,0,0]=4 43 B11R1.167 CC(=O)c1cc(ccc1Br)O WX645034 [0,1,0,0,0,0|3,0,0]=4 44 B11R1.167 CC(=O)c1cc(ccc1F)Br WX626031 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.167 Cc1c(cc(cn1)Br)[N+](=O)[O-] WX637142 [0,1,0,0,0,0|3,0,0]=4 46 B11R1.167 Cc1cc(c(nc1)Cl)C(=O)O WX614044 [0,1,0,0,0,0|3,0,0]=4 47 B11R1.167 c1cc(nc(c1N)C(=O)N)Cl WX609483 [0,1,0,0,0,0|3,0,0]=4 48 B11R1.222 CCC(=O)c1ccccc1Br WX626030 [0,1,0,0,0,0|3,0,0]=4 49 B11R1.222 CCC(=O)c1ccccc1Cl WXC00823 [0,1,0,0,0,0|3,0,0]=4 50 B11R1.222 COC(=O)c1ccc[nH]c1=O WX618226 [0,1,0,0,0,0|2,0,1]=4 51 B11R1.222 Cc1cccnc1C(=O)OC WX618463 [0,1,0,0,0,0|1,0,0]=2 52 B11R1.222 Cc1cccnc1\C(=N\O)\N WX690152 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.222 c1ccc(c(c1)C(=O)CBr)Cl WX631003 [0,1,0,0,0,0|3,0,0]=4 54 B11R1.222 c1ccc(c(c1)C(=O)CCl)N WX631029 [0,1,0,0,0,0|3,0,0]=4 55 B11R2.1 c1cc2c(nc1)C(=O)CC2 WX626094 [0,0,0,1,0,0|1,0,0]=2 56 B11R2.1 c1ccc2c(c1)CNC2=O WX619030 [0,0,0,1,0,0|3,0,0]=4 57 B9R1.41 CC(=O)c1ccnn1C WX626017 [0,0,0,0,1,0|1,0,0]=2 58 B9R1.41 Cc1c([nH]cn1)C(=O)O WX614250 [0,0,0,0,1,0|1,0,1]=3 59 B9R1.41 Cc1c([nH]cn1)[N+](=O)[O-] WXC01262 [0,0,0,0,1,0|2,0,1]=4 60 B9R1.41 Cc1c(c[nH]n1)C(=O)C WX626082 [0,0,0,0,1,0|1,0,0]=2 61 B9R1.41 Cc1c(c[nH]n1)C(=O)O WX613012 [0,0,0,0,1,0|2,0,0]=3 62 B9R1.41 Cc1c(c[nH]n1)C(C)O WX642153 [0,0,0,0,1,0|1,0,2]=4 63 B9R1.41 Cc1c(cc[nH]1)C(=O)O WX614100 [0,0,0,0,1,0|1,0,1]=3 64 B9R1.41 Cc1c(con1)C(=O)O WX614141 [0,0,0,0,1,0|2,0,0]=3 65 B9R1.41 Cc1c(n[nH]n1)C(=O)O WX613767 [0,0,0,0,1,0|2,0,0]=3 66 B9R1.41 Cc1c(nns1)C(=O)O WX614351 [0,0,0,0,1,0|3,0,0]=4 67 B9R1.41 Cc1c(ocn1)C(=O)O WX614136 [0,0,0,0,1,0|2,0,0]=3 68 B9R1.41 Cc1c(snn1)C(=O)O WX613776 [0,0,0,0,1,0|3,0,0]=4 69 B9R1.41 Cc1c[nH]cc1C(=O)O WX614124 [0,0,0,0,1,0|3,0,0]=4 70 B9R1.41 Cc1cocc1C(=O)O WX613137 [0,0,0,0,1,0|3,0,0]=4 71 B9R1.41 Cc1cscc1C(=O)O WX614279 [0,0,0,0,1,0|3,0,0]=4 72 B9R1.41 Cn1c(ccn1)C(=O)O WX614032 [0,0,0,0,1,0|2,0,0]=3 73 B9R1.41 Cn1ccnc1C(=O)O WX614056 [0,0,0,0,1,0|2,0,0]=3 74 B9R1.41 c1coc(c1Br)C(=O)O WX614376 [0,0,0,0,1,0|3,0,0]=4 75 B11R1.86 c1cnc(c(n1)CC(=O)O)Cl WXC01521 [0,0,0,0,0,1|2,0,0]=3 76 B8R1.2 C=Cc1cccnc1 WX685205 [2,0,0,0,0,0|1,0,1]=4 77 B8R1.2 CNc1cccnc1 WX609454 [2,0,0,0,0,0|2,0,0]=4 78 B8R1.2 CNc1cnccn1 WX606056 [2,0,0,0,0,0|1,0,0]=3 79 B8R1.2 c1cnc(cn1)C=O WX624187 [2,0,0,0,0,0|0,0,0]=2 80 B8R1.2 c1cnc(cn1)CN WX603036 [2,0,0,0,0,0|1,0,1]=4 81 B8R1.2 c1cnc(cn1)CO WX640335 [2,0,0,0,0,0|0,0,2]=4 82 B8R1.5 Cc1c(cccn1)N WX609161 [2,0,0,0,0,0|2,0,0]=4 83 B8R1.5 Cc1c(cccn1)O WX649093 [2,0,0,0,0,0|1,0,1]=4 84 B8R1.5 Cc1cccnc1Cl WX636230 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.5 Cc1cccnc1O WX649097 [2,0,0,0,0,0|1,0,1]=4 86 B8R1.5 c1cnc(c(n1)N)Cl WX609303 [2,0,0,0,0,0|2,0,0]=4 87 B10R1.13 CC(=O)c1ccc(cn1)Br WX619067 [1,1,0,0,0,0|1,0,0]=3 88 B10R1.13 CC(=O)c1ccc(nc1)Cl WX626037 [1,1,0,0,0,0|1,0,0]=3 89 B10R1.13 CC(=O)c1ccc(nn1)Cl WXC01382 [1,1,0,0,0,0|2,0,0]=4 90 B10R1.13 Cc1ccc(cn1)C(=O)O WX614214 [1,1,0,0,0,0|2,0,0]=4 91 B10R1.13 Cc1ccc(nc1)C(=O)O WX614117 [1,1,0,0,0,0|2,0,0]=4 92 B10R1.13 c1cc(ncc1O)C(=O)O WX614146 [1,1,0,0,0,0|2,0,0]=4 93 B10R1.15 COC(=O)c1ccncn1 WX618355 [1,1,0,0,0,0|2,0,0]=4 94 B10R1.15 COC(=O)c1ncccn1 WXC01002 [1,1,0,0,0,0|2,0,0]=4 95 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [1,1,0,0,0,0|2,0,0]=4 96 B10R1.15 c1ccnc(c1)C(=O)CBr WX631026 [1,1,0,0,0,0|1,0,0]=3 97 B10R1.15 c1cnc(cn1)C(=O)NN WX684402 [1,1,0,0,0,0|1,0,0]=3 98 B10R1.113 CC(=O)c1cc(ccn1)Br WXC02208 [1,1,0,0,0,0|1,0,0]=3 99 B10R1.113 CC(=O)c1cc(ccn1)Cl WX636192 [1,1,0,0,0,0|1,0,0]=3 100 B10R1.113 CC(=O)c1cc(cnc1)Br WX637241 [1,1,0,0,0,0|1,0,0]=3 101 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.113 CC(=O)c1cccc(n1)Br WX624141 [1,1,0,0,0,0|1,0,0]=3 103 B10R1.113 Cc1cc(cnc1)C(=O)N WX619274 [1,1,0,0,0,0|2,0,0]=4 104 B10R1.113 Cc1cc(cnc1)C(=O)O WX614246 [1,1,0,0,0,0|2,0,0]=4 105 B10R1.113 Cc1cccc(n1)C(=O)O WX614192 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.113 Cc1ccnc(c1)C(=O)O WX614114 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.113 c1c(cncc1Cl)C(=O)O WX614059 [1,1,0,0,0,0|2,0,0]=4 108 B10R1.113 c1c(cncc1F)C(=O)N WXC01409 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.113 c1c(cncc1F)C(=O)O WX614202 [1,1,0,0,0,0|2,0,0]=4 110 B10R1.113 c1c(nc(cn1)Cl)C(=O)O WX614271 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.113 c1cc(nc(c1)Cl)C(=O)O WX614070 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.113 c1cnc(cc1Br)C(=O)O WX614145 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.4 Cc1ccccc1NC=O WXC00961 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.20 COc1c(cccn1)CCl WX630257 [1,1,0,0,0,0|2,0,0]=4 115 B10R1.25 COc1c(nc(cn1)Cl)Cl WXC04294 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.25 Cc1c(ccc(n1)Cl)C=O WX624065 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.25 Cc1cc(cnc1NC)Br WX637137 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.25 c1cc(nc(c1C=O)F)Cl WX636267 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.30 Cc1ccc(c(n1)C=O)O WXC01810 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.245 c1cnc(c(c1I)C=O)Cl WXC01649 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.245 c1cnc(c(c1I)C=O)F WX624106 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.59 CC(=O)c1c(cn(n1)C)N WXC03211 [0,1,0,0,1,0|2,0,0]=4 123 B10R1.59 Cc1c(cc(s1)Br)C(=O)O WXC01808 [0,1,0,0,1,0|2,0,0]=4 124 B10R1.59 Cc1c(sc(n1)Br)C(=O)O WX614187 [0,1,0,0,1,0|2,0,0]=4 125 B10R1.59 Cc1c(sc(n1)C)C(=O)O WX614269 [0,1,0,0,1,0|2,0,0]=4 126 B10R1.149 COC(=O)c1c(cc[nH]1)Br WXC01617 [0,1,0,0,1,0|1,0,1]=4 127 B10R1.149 Cc1cc[nH]c1C(=O)OC WX618007 [0,1,0,0,1,0|0,0,1]=3 128 B10R1.149 Cn1c(ccn1)C(=O)OC WX618160 [0,1,0,0,1,0|1,0,0]=3 129 B10R1.149 Cn1c(ncn1)C(=O)OC WXC00430 [0,1,0,0,1,0|1,0,0]=3 130 B10R1.192 Cc1c(c(n[nH]1)C)C(=O)C WX626089 [0,1,0,0,1,0|1,0,0]=3 131 B10R1.192 Cc1c(n(cn1)C)C(=O)O WXC00488 [0,1,0,0,1,0|1,0,1]=4 132 B10R1.192 Cn1c(c(cn1)Br)C(=O)O WX637372 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.192 Cn1c(c(cn1)I)C(=O)O WX634004 [0,1,0,0,1,0|2,0,0]=4 134 B10R1.194 Cc1c(cnn1C)C(=O)C WX626083 [0,1,0,0,1,0|1,0,1]=4 135 B12R1.75 COc1c(cccn1)CC(=O)O WX613443 [0,1,0,0,0,1|2,0,0]=4 136 B12R1.233 Cc1cc(ccc1NC(=O)C)Cl WXC00307 [0,1,0,0,0,1|2,0,0]=4 137 B12R1.233 Cc1ccc(c(c1)C)NC(=O)C WXC01838 [0,1,0,0,0,1|2,0,0]=4 138 B12R1.371 Cc1ccccc1NC(=O)CCl WX630229 [0,1,0,0,0,1|2,0,0]=4 139 B12R1.77 COC(=O)c1c(cccn1)CBr WX630328 [0,2,0,0,0,0|1,0,0]=3 140 B12R1.77 COC(=O)c1cccnc1C#N WX618549 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.77 COc1cccnc1C(=O)OC WXC01491 [0,2,0,0,0,0|1,0,0]=3 142 B12R1.3441 Cc1cccc(c1C(=O)OC)I WX634009 [0,2,0,0,0,0|2,0,0]=4 143 B12R1.24 CCC(=O)c1cccc(c1C)F WXC00217 [0,2,0,0,0,0|2,0,0]=4 144 B12R1.24 Cc1c(cccc1I)C(=O)OC WX618129 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.24 Cc1c(cccc1O)C(=O)OC WXC02365 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.24 Cc1c(ccnc1C(=O)OC)Br WXC02580 [0,2,0,0,0,0|1,0,0]=3 147 B12R1.1703 COC(=O)c1c(nc(cn1)Cl)Cl WXC01753 [0,2,0,0,0,0|1,0,0]=3 148 B12R1.1703 COC(=O)c1ccc(nc1N)Cl WXC02573 [0,2,0,0,0,0|2,0,0]=4 149 B12R1.1703 Cc1cc(ccc1C(=O)OC)Br WX633105 [0,2,0,0,0,0|2,0,0]=4 150 B12R1.1703 Cc1cc(ccc1C(=O)OC)O WXC01025 [0,2,0,0,0,0|2,0,0]=4 151 B12R1.1703 Cc1cc(cnc1C(=O)OC)Br WX637097 [0,2,0,0,0,0|1,0,0]=3 152 B12R1.1703 Cc1cc(cnc1C(=O)O[Na])Br WXC02912 [0,2,0,0,0,0|2,0,0]=4 153 B12R1.354 COC(=O)c1c(ncc(n1)Br)N WX609375 [0,2,0,0,0,0|1,0,0]=3 154 B12R1.354 COC(=O)c1c(ncc(n1)F)F WXC00651 [0,2,0,0,0,0|1,0,0]=3 155 B12R1.354 COC(=O)c1cc(cnc1Cl)I WX636020 [0,2,0,0,0,0|2,0,0]=4 156 B12R1.354 COC(=O)c1cc(cnc1O)I WX638009 [0,2,0,0,0,0|2,0,0]=4 157 B12R1.354 Cc1ccc(cc1C(=O)OC)O WX645023 [0,2,0,0,0,0|2,0,0]=4 158 B12R2.24 c1ccc2c(c1)CCC(=O)N2 WX602171 [0,0,0,1,0,1|2,0,0]=4 159 B12R2.1081 c1cc2c(nc1)C(=O)CCC2 WX625030 [0,1,0,1,0,0|1,0,0]=3 160 B12R2.1081 c1cc2c(nc1)NCCC2=O WXC03764 [0,1,0,1,0,0|1,0,0]=3 161 B12R2.1081 c1ccc2c(c1)C(=O)CCN2 WX604538 [0,1,0,1,0,0|2,0,0]=4 162 B12R2.196 c1cc2c(c(c1)Br)CCC2=O WX633095 [0,1,0,1,0,0|2,0,0]=4 163 B8R1.7 CC(=O)c1c[nH]cn1 WX626016 [1,0,0,0,1,0|0,0,1]=3 164 B8R1.7 CC(=O)c1cc[nH]n1 WX626051 [1,0,0,0,1,0|1,0,0]=3 165 B8R1.7 CC(=O)c1cncs1 WX626015 [1,0,0,0,1,0|1,0,0]=3 166 B8R1.7 c1c(cn[nH]1)C(=O)O WX614069 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.7 c1c(con1)C(=O)O WX614066 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.7 c1c(nc[nH]1)C(=O)O WX614057 [1,0,0,0,1,0|1,0,1]=4 169 B8R1.7 c1c(nco1)C(=O)O WX614087 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.7 c1c(ncs1)C(=O)N WX619024 [1,0,0,0,1,0|2,0,0]=4 171 B8R1.7 c1c(scn1)C(=O)O WX614255 [1,0,0,0,1,0|2,0,0]=4 172 B8R1.7 c1c[nH]cc1C(=O)O WX614253 [1,0,0,0,1,0|1,0,1]=4 173 B8R1.7 c1c[nH]nc1C(=O)O WX614216 [1,0,0,0,1,0|2,0,0]=4 174 B8R1.7 c1cn[nH]c1C(=O)O WX614248 [1,0,0,0,1,0|2,0,0]=4 175 B8R1.7 c1cnc([nH]1)C(=O)O WX614140 [1,0,0,0,1,0|1,0,1]=4 176 B8R1.7 c1cnn(c1)C(=O)Cl WX616007 [1,0,0,0,1,0|2,0,0]=4 177 B8R1.11 Cc1c([nH]cn1)C=O WX624181 [1,0,0,0,1,0|0,0,1]=3 178 B8R1.11 Cc1c(c[nH]n1)C=O WX624092 [1,0,0,0,1,0|1,0,0]=3 179 B8R1.11 Cc1c(scn1)C=O WX624190 [1,0,0,0,1,0|1,0,0]=3 180 B8R1.11 Cc1conc1C=O WX624031 [1,0,0,0,1,0|1,0,0]=3 181 B8R1.11 Cn1c(ccn1)C=O WX624182 [1,0,0,0,1,0|1,0,0]=3 182 B12R1.125 Cc1c(cccn1)CCC(=O)O WX613463 [0,0,0,0,0,2|2,0,0]=4 183 B12R1.125 Cc1cccnc1CCC(=O)O WX613467 [0,0,0,0,0,2|2,0,0]=4