0 B10R1.13 B(c1ccc(cc1)N)(O)O WX650024 [0,0,0,0,0,0|3,0,0]=3 1 B10R1.13 B(c1ccc(nc1)C)(O)O WX654026 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.13 CC(=O)c1ccc(cn1)Br WX619067 [0,0,0,0,0,0|2,0,2]=4 3 B10R1.13 CC(=O)c1ccc(nc1)Cl WX626037 [0,0,0,0,0,0|2,0,2]=4 4 B10R1.13 CC(c1ncc(cn1)O)O WX649075 [0,0,0,0,0,0|3,0,0]=3 5 B10R1.13 CN(C)c1ccc(cn1)Br WX637239 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.13 CN(C)c1ccc(cn1)N WX606099 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.13 C[C@@H](c1ncc(cn1)O)O WX649103 [0,0,0,0,0,0|3,0,0]=3 8 B10R1.13 Cc1ccc(cn1)C(=O)O WX614214 [0,0,0,0,0,0|2,0,1]=3 9 B10R1.13 Cc1ccc(cn1)[N+](=O)[O-] WX609936 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.13 Cc1ccc(nc1)C(=O)O WX614117 [0,0,0,0,0,0|2,0,1]=3 11 B10R1.13 c1cc(ccc1C(=N)N)Br WX684427 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.13 c1cc(ccc1C(=N)N)Br WX690071 [0,0,0,0,0,0|3,0,1]=4 13 B10R1.13 c1cc(ccc1C(=O)N)N WXC02462 [0,0,0,0,0,0|2,0,2]=4 14 B10R1.13 c1cc(ncc1Br)C(F)F WXC00995 [0,0,0,0,0,0|4,0,0]=4 15 B10R1.13 c1cc(ncc1N)C(F)F WXC01084 [0,0,0,0,0,0|4,0,0]=4 16 B10R1.13 c1cc(ncc1O)C(=O)O WX614146 [0,0,0,0,0,0|3,0,1]=4 17 B9R1.1 CCc1ccc(nc1)Cl WX636306 [1,0,0,0,0,0|2,0,0]=3 18 B9R1.1 CNc1ccc(cc1)Br WXC02256 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 COc1ccc(nc1)Cl WX636208 [1,0,0,0,0,0|3,0,0]=4 20 B9R1.1 Cc1ccc(cc1)NN WX684225 [1,0,0,0,0,0|2,0,0]=3 21 B9R1.1 Cc1ccc(cn1)CN WX603042 [1,0,0,0,0,0|2,0,0]=3 22 B9R1.1 Cc1ccc(nc1)CN WX609025 [1,0,0,0,0,0|2,0,0]=3 23 B9R1.1 Cc1ccc(nc1)CO WX640119 [1,0,0,0,0,0|1,0,0]=2 24 B9R1.1 Cc1cnc(nc1)CN WX603033 [1,0,0,0,0,0|3,0,0]=4 25 B9R1.1 Cc1cnc(nc1)CN WX603126 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 Cc1cnc(nc1)CO WX640115 [1,0,0,0,0,0|2,0,0]=3 27 B9R1.1 c1c(cnc(n1)CO)O WX640204 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 c1cc(ccc1CF)Br WX630205 [1,0,0,0,0,0|2,0,0]=3 29 B9R1.1 c1cc(ncc1Br)CN WX603129 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.1 c1cc(ncc1CO)Cl WX640287 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.1 c1cc(ncc1N)CN WXC02330 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.6 B(c1cccnc1)(O)O WX654050 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.6 B(c1ccncc1)(O)O WX654049 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.6 CC(c1ccccn1)N WX609027 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.6 CC(c1ccccn1)O WX642039 [1,0,0,0,0,0|1,0,0]=2 36 B9R1.6 CC(c1cccnc1)N WX609031 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.6 CC(c1cccnc1)O WX642141 [1,0,0,0,0,0|1,0,0]=2 38 B9R1.6 CC(c1ccncc1)N WX609038 [1,0,0,0,0,0|2,0,0]=3 39 B9R1.6 CC(c1ccncc1)O WX642142 [1,0,0,0,0,0|1,0,0]=2 40 B9R1.6 CC(c1ncccn1)N WX609073 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.6 CC(c1ncccn1)O WX642042 [1,0,0,0,0,0|2,0,0]=3 42 B11R1.3 B(c1ccc(cc1)C#N)(O)O WX650030 [0,1,0,0,0,0|2,0,1]=4 43 B11R1.3 B(c1ccc(cc1)CBr)(O)O WX650074 [0,1,0,0,0,0|2,0,0]=3 44 B11R1.3 B(c1ccc(nc1)OC)(O)O WX654014 [0,1,0,0,0,0|3,0,0]=4 45 B11R1.3 CCc1ccc(cn1)C(=O)O WXC00284 [0,1,0,0,0,0|2,0,1]=4 46 B11R1.3 CN(C)c1ccc(cc1)C=O WXC03610 [0,1,0,0,0,0|2,0,1]=4 47 B11R1.3 C[C@H](c1ccc(cc1)C#N)N WX603055 [0,1,0,0,0,0|1,0,1]=3 48 B11R1.3 c1cc(ccc1CBr)C(F)F WXFC0053 [0,1,0,0,0,0|2,0,0]=3 49 B11R1.3 c1cc(ccc1CN)C(F)F WXFC0052 [0,1,0,0,0,0|2,0,0]=3 50 B11R1.19 CC(C)(c1ncc(cn1)O)O WX649077 [0,1,0,0,0,0|3,0,0]=4 51 B11R1.19 CS(=N)(=O)c1ccc(cc1)Br WXC00640 [0,1,0,0,0,0|2,0,1]=4 52 B11R1.19 CS(=O)(=O)c1ccc(cc1)F WX682903 [0,1,0,0,0,0|2,0,1]=4 53 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WX604383 [0,1,0,0,0,0|2,0,0]=3 54 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WX604516 [0,1,0,0,0,0|2,0,0]=3 55 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WXC00719 [0,1,0,0,0,0|2,0,0]=3 56 B11R1.19 Cc1ccc(cc1)S(=O)(=O)O WXC00721 [0,1,0,0,0,0|2,0,0]=3 57 B11R1.19 c1cc(ccc1O)S(=O)(=O)O WX682209 [0,1,0,0,0,0|3,0,0]=4 58 B11R1.21 B(c1ccc(c(c1)C)C)(O)O WX650041 [0,1,0,0,0,0|2,0,0]=3 59 B11R1.21 B(c1ccc(c(c1)F)O)(O)O WX650088 [0,1,0,0,0,0|3,0,0]=4 60 B11R1.21 CC(c1ccc(c(c1)Cl)Cl)N WX603189 [0,1,0,0,0,0|2,0,0]=3 61 B11R1.21 c1cc(c(cc1C(=O)O)O)I WX612079 [0,1,0,0,0,0|2,0,1]=4 62 B11R1.22 CNC(=O)c1ccc(cc1)N WX609521 [0,1,0,0,0,0|1,0,2]=4 63 B11R1.22 Cc1ccc(cc1)C(=S)NN WXC00707 [0,1,0,0,0,0|1,1,1]=4 64 B11R1.22 Cc1ccc(cc1)\C(=N/O)\N WX690131 [0,1,0,0,0,0|1,0,1]=3 65 B11R1.22 Cc1ccc(cn1)C(=O)OC WX618268 [0,1,0,0,0,0|1,0,2]=4 66 B11R1.22 Cc1ccc(nc1)C(=O)OC WX618024 [0,1,0,0,0,0|1,0,2]=4 67 B11R1.22 c1cc(ccc1C(CN)O)Br WX600145 [0,1,0,0,0,0|1,0,0]=2 68 B11R1.22 c1cc(ccc1C(CO)N)F WX600173 [0,1,0,0,0,0|2,0,0]=3 69 B11R1.22 c1cc(ccc1\C(=N\O)\N)O WX690142 [0,1,0,0,0,0|2,0,1]=4 70 B11R1.166 B(c1ccc(cc1C)O)(O)O WX654005 [0,1,0,0,0,0|3,0,0]=4 71 B11R1.166 CC(=O)c1ccc(cc1O)Br WX626004 [0,1,0,0,0,0|1,0,2]=4 72 B11R1.166 CC(C)n1ccc(cc1=O)Br WXC02310 [0,1,0,0,0,0|3,0,0]=4 73 B11R1.166 Cc1ccc(c(c1)F)C(=O)O WX612018 [0,1,0,0,0,0|1,0,1]=3 74 B9R1.35 B(c1cc(cs1)C)(O)O WX654055 [0,0,0,0,1,0|3,0,0]=4 75 B9R1.35 B(c1ccc(s1)C)(O)O WX654056 [0,0,0,0,1,0|3,0,0]=4 76 B9R1.35 Cc1cc(c[nH]1)C(=O)O WX613080 [0,0,0,0,1,0|2,0,1]=4 77 B9R1.35 Cc1cc(sc1)C(=O)O WX614259 [0,0,0,0,1,0|2,0,1]=4 78 B9R1.35 Cc1ccc(o1)C(=O)O WX614194 [0,0,0,0,1,0|2,0,1]=4 79 B9R1.35 Cc1ccc(s1)C(=O)O WX614260 [0,0,0,0,1,0|2,0,1]=4 80 B9R1.35 Cn1ccc(c1)C(=O)O WX614122 [0,0,0,0,1,0|2,0,1]=4 81 B11R1.20 CC(=O)Oc1ccc(cc1)O WX645067 [0,0,0,0,0,1|1,0,2]=4 82 B11R1.20 CC(C)Oc1ccc(cn1)Br WX637143 [0,0,0,0,0,1|3,0,0]=4 83 B11R1.20 Cc1ccc(nc1)OC(C)C WXC04147 [0,0,0,0,0,1|2,0,0]=3 84 B8R1.2 CNc1cccnc1 WX609454 [2,0,0,0,0,0|2,0,0]=4 85 B8R1.2 c1cc(cnc1)CO WX640285 [2,0,0,0,0,0|1,0,0]=3 86 B8R1.2 c1ccnc(c1)CO WX640282 [2,0,0,0,0,0|1,0,0]=3 87 B8R1.2 c1cnc(cn1)CO WX640335 [2,0,0,0,0,0|2,0,0]=4 88 B8R1.2 c1cnc(nc1)CO WX640112 [2,0,0,0,0,0|2,0,0]=4 89 B8R1.2 c1cnc(nc1)CO WXC04758 [2,0,0,0,0,0|2,0,0]=4 90 B8R1.2 c1cnccc1CO WX640289 [2,0,0,0,0,0|1,0,0]=3 91 B8R1.2 c1cncnc1CO WX640254 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.3 Cc1ccc(cc1)O WX645079 [2,0,0,0,0,0|0,0,0]=2 93 B8R1.3 Cc1ccc(cn1)N WX609427 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.3 Cc1ccc(cn1)O WX649092 [2,0,0,0,0,0|1,0,0]=3 95 B8R1.3 Cc1ccc(nc1)Br WX637311 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.3 Cc1ccc(nc1)O WX649096 [2,0,0,0,0,0|1,0,0]=3 97 B8R1.3 Cc1cnc(nc1)O WX645028 [2,0,0,0,0,0|2,0,0]=4 98 B10R1.1 CCOc1ccc(nc1)Br WX637261 [1,1,0,0,0,0|2,0,0]=4 99 B10R1.1 Cc1cnc(nc1)CCN WX607133 [1,1,0,0,0,0|2,0,0]=4 100 B10R1.1 c1cc(ccc1CC#N)I WX634021 [1,1,0,0,0,0|1,0,1]=4 101 B10R1.1 c1cc(ccc1CNN)Cl WXC03194 [1,1,0,0,0,0|2,0,0]=4 102 B10R1.1 c1cc(ccc1\C=N\O)Cl WX632026 [1,1,0,0,0,0|1,0,1]=4 103 B10R1.3 c1cc(ccc1CBr)C=O WX622025 [1,1,0,0,0,0|0,0,2]=4 104 B10R1.3 c1cc(ccc1CO)C=O WX640141 [1,1,0,0,0,0|0,0,1]=3 105 B10R1.25 CNc1ccc(cc1Br)F WX633219 [1,1,0,0,0,0|2,0,0]=4 106 B10R1.25 COc1ccc(cc1O)O WX645051 [1,1,0,0,0,0|2,0,0]=4 107 B10R1.25 Cc1ccc(c(c1)F)C#N WX636059 [1,1,0,0,0,0|1,0,1]=4 108 B10R1.25 c1cc(c(cc1Br)I)CBr WX630085 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.25 c1cc(c(cc1Br)O)CO WXC01145 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.176 Cc1ccc(cc1C)CN WX603058 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.176 Cc1ccc(cc1C)CN WX603165 [1,1,0,0,0,0|1,0,0]=3 112 B10R1.176 c1cc(c(cc1CN)F)Cl WX603025 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.15 C[C@H](CN)c1ccccc1 WX600102 [1,1,0,0,0,0|1,0,0]=3 114 B10R1.15 N=C(\c1ccccc1)/OC WXC04573 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.15 c1ccc(cc1)C(=O)CF WXFC0145 [1,1,0,0,0,0|0,0,2]=4 116 B10R1.15 c1ccc(cc1)[C@@H](CF)N WXFC0133 [1,1,0,0,0,0|1,0,0]=3 117 B10R1.15 c1ccc(cc1)[C@H](CF)N WXFC0134 [1,1,0,0,0,0|1,0,0]=3 118 B10R1.15 c1ccc(cc1)\C(=N\O)\N WX690132 [1,1,0,0,0,0|1,0,1]=4 119 B10R1.28 CC(C)(c1ccccc1)N WX600125 [1,1,0,0,0,0|1,0,0]=3 120 B10R1.28 CC(C)(c1cccnc1)N WX600235 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.61 B(c1ccccc1N)(O)O WX650019 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.61 B(c1ccccc1O)(O)O WX650052 [1,1,0,0,0,0|2,0,0]=4 123 B10R1.61 CC(C)c1c(cccn1)O WX645029 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.61 CC(c1ccncc1F)Cl WX630339 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.61 c1ccc(c(c1)C(F)F)N WXFC0033 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.113 CC(=O)c1cccc(c1)Br WX633007 [1,1,0,0,0,0|0,0,2]=4 127 B10R1.113 Cc1cccc(c1)[C@@H](C)O WXC01314 [1,1,0,0,0,0|0,0,0]=2 128 B10R1.113 Cc1cccc(c1)[C@H](C)O WXC01313 [1,1,0,0,0,0|0,0,0]=2 129 B10R1.113 c1cc(cc(c1)I)C(F)F WXFC0039 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.113 c1cc(cc(c1)N)C(F)F WX602046 [1,1,0,0,0,0|2,0,0]=4 131 B10R1.113 c1cc(cc(c1)O)C(F)F WXFC0040 [1,1,0,0,0,0|2,0,0]=4 132 B10R1.59 Cc1c(cn(n1)C)C(C)O WX642155 [0,1,0,0,1,0|2,0,0]=4 133 B10R1.194 Cc1c(cnn1C)C(C)O WX642154 [0,1,0,0,1,0|2,0,0]=4 134 B12R1.4 c1cc(ccc1CBr)OC(F)F WX630099 [0,1,0,0,0,1|2,0,0]=4 135 B12R1.19 Cc1ccc(cc1N)OC(C)C WXC01431 [0,1,0,0,0,1|1,0,0]=3 136 B12R1.20 CC(C(=O)c1ccc(cc1)Cl)Br WXC03015 [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|0,0,2]=4 138 B12R1.6 CS(=O)(=O)c1ccc(cc1)CBr WX682904 [0,2,0,0,0,0|1,0,1]=4 139 B12R1.48 CC(=O)c1ccc(c(c1)Cl)OC WX626091 [0,2,0,0,0,0|0,0,2]=4 140 B12R1.48 c1cc(c(cc1C(=O)O)F)CO WX612104 [0,2,0,0,0,0|1,0,1]=4 141 B12R1.113 COCc1ccc(cc1)C(=O)O WX610232 [0,2,0,0,0,0|1,0,1]=4 142 B12R1.113 c1cc(ccc1CCBr)C(=O)O WX612006 [0,2,0,0,0,0|1,0,1]=4 143 B12R1.9 Cc1ccc(cc1)S(=O)(=O)OC WX690048 [0,2,0,0,0,0|1,0,1]=4 144 B12R1.23 CC(C)(C)c1ccc(c(c1)O)I WX645083 [0,2,0,0,0,0|2,0,0]=4 145 B12R1.126 CC(C)(C)c1ccc(cc1Br)N WX602032 [0,2,0,0,0,0|2,0,0]=4 146 B12R1.56 B(c1ccc(c(c1)C#N)C)(O)O WX650124 [0,2,0,0,0,0|2,0,0]=4 147 B12R1.367 Cc1ccc(cc1C)\C(=N\O)\N WX690170 [0,2,0,0,0,0|1,0,1]=4 148 B12R1.367 Cc1ccc(cc1Cl)\C(=N\O)\N WX690196 [0,2,0,0,0,0|1,0,1]=4 149 B12R1.893 Cc1ccc(c(c1I)F)C(=O)O WXC02082 [0,2,0,0,0,0|1,0,1]=4 150 B12R2.606 CC1Cc2cc(ccc2O1)Br WX633185 [0,0,0,1,0,1|2,0,0]=4 151 B12R2.606 c1cc2c(cc1Br)CC(C2)O WX633176 [0,0,0,1,0,1|1,0,0]=3 152 B12R2.612 Cc1ccc2c(c1)CCC2O WX642032 [0,1,0,1,0,0|0,0,0]=2 153 B12R2.612 c1cc2c(cc1Br)CCC2O WX633165 [0,1,0,1,0,0|1,0,0]=3 154 B12R2.612 c1cc2c(cc1Br)CC[C@H]2O WX633147 [0,1,0,1,0,0|1,0,0]=3 155 B8R1.1 Cc1[nH]c(cn1)CO WX640040 [1,0,0,0,1,0|2,0,0]=4 156 B8R1.1 Cc1cc([nH]n1)CO WX640223 [1,0,0,0,1,0|2,0,0]=4 157 B8R1.1 Cc1cc([nH]n1)CO WX640340 [1,0,0,0,1,0|2,0,0]=4 158 B8R1.1 Cc1cc(no1)CO WX640214 [1,0,0,0,1,0|2,0,0]=4 159 B8R1.1 Cc1cc(sc1)CN WX609034 [1,0,0,0,1,0|2,0,0]=4 160 B8R1.1 Cc1cc(sc1)CO WX640133 [1,0,0,0,1,0|1,0,0]=3 161 B8R1.1 Cc1ccc(s1)CN WX609036 [1,0,0,0,1,0|2,0,0]=4 162 B8R1.1 Cc1ccc(s1)CN WX609532 [1,0,0,0,1,0|2,0,0]=4 163 B8R1.1 Cc1ccc(s1)CO WX640089 [1,0,0,0,1,0|1,0,0]=3 164 B8R1.1 Cc1ncc(s1)CO WX640102 [1,0,0,0,1,0|2,0,0]=4 165 B8R1.1 Cn1cc(cn1)CO WX640201 [1,0,0,0,1,0|2,0,0]=4 166 B8R1.1 Cn1cc(nc1)CO WX640041 [1,0,0,0,1,0|2,0,0]=4 167 B8R1.1 Cn1ccc(n1)CO WX640316 [1,0,0,0,1,0|2,0,0]=4 168 B8R1.7 CC(c1c[nH]cn1)O WX642070 [1,0,0,0,1,0|2,0,0]=4 169 B8R1.7 CC(c1cccs1)N WX609033 [1,0,0,0,1,0|2,0,0]=4 170 B8R1.7 CC(c1cccs1)O WX642064 [1,0,0,0,1,0|1,0,0]=3 171 B12R1.21 Cc1ccc(cc1)SCC(=O)O WX610177 [0,0,0,0,0,2|1,0,1]=4