0 B10R1.176 CCc1cc(c(nc1)C)O cdp254de9 [0,0,0,0,0,0|2,0,0]=2 1 B10R1.176 CCc1ccc(c(n1)N)Br abp014 [0,0,0,0,0,0|3,0,0]=3 2 B10R1.176 CCc1ccc(c(n1)N)Cl acp022 [0,0,0,0,0,0|3,0,0]=3 3 B10R1.176 COc1cc(c(nc1)Cl)N rp025 [0,0,0,0,0,0|4,0,0]=4 4 B10R1.176 COc1cc(c(nc1)N)Br abp013 [0,0,0,0,0,0|4,0,0]=4 5 B10R1.176 COc1cc(c(nc1)N)Cl acp020 [0,0,0,0,0,0|4,0,0]=4 6 B10R1.176 COc1cc(c(nc1)N)N dap18 [0,0,0,0,0,0|4,0,0]=4 7 B10R1.176 COc1ccc(c(n1)N)Br cdp104fp6de22 [0,0,0,0,0,0|4,0,0]=4 8 B10R1.176 COc1ccc(c(n1)N)Cl rp021 [0,0,0,0,0,0|4,0,0]=4 9 B10R1.176 Cc1c(ccc(n1)C#N)Cl rp211de37 [0,0,0,0,0,0|3,0,1]=4 10 B10R1.176 Cc1c(ccc(n1)C#N)I rp211de33 [0,0,0,0,0,0|3,0,1]=4 11 B10R1.176 Cc1cc(cnc1Cl)C#N rp115 [0,0,0,0,0,0|3,0,1]=4 12 B10R1.176 Cc1cc(ncc1C)CO cia036lit3de2 [0,0,0,0,0,0|4,0,0]=4 13 B10R1.176 Cc1ccc(cc1N)CN dn092 [0,0,0,0,0,0|4,0,0]=4 14 B10R1.176 Cc1ccc(nc1Br)C#N rp042 [0,0,0,0,0,0|3,0,1]=4 15 B10R1.176 Cc1ccc(nc1C)C#N rp125 [0,0,0,0,0,0|2,0,1]=3 16 B10R1.176 Cc1ccc(nc1C)CO cia036lit3de5 [0,0,0,0,0,0|2,0,0]=2 17 B10R1.176 Cc1ccc(nc1N)OC cdp192fp6de6 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.1 CCc1ccc(cn1)N s006fp2 [1,0,0,0,0,0|2,0,0]=3 19 B9R1.1 CCc1ccc(cn1)O cdp254de7 [1,0,0,0,0,0|2,0,0]=3 20 B9R1.1 COc1ccc(nc1)Cl cdp172fp2 [1,0,0,0,0,0|3,0,0]=4 21 B9R1.1 COc1ccc(nc1)F ct074fp3vp1de5 [1,0,0,0,0,0|3,0,0]=4 22 B9R1.1 COc1ccc(nc1)O rp224 [1,0,0,0,0,0|3,0,0]=4 23 B9R1.1 Cc1ccc(cn1)NC ct051vp1fp2de6 [1,0,0,0,0,0|2,0,0]=3 24 B9R1.1 Cc1ccc(cn1)OC rp054 [1,0,0,0,0,0|2,0,0]=3 25 B9R1.1 c1cc(ncc1Br)CBr cdp145fp4 [1,0,0,0,0,0|3,0,0]=4 26 B9R1.1 c1cc(ncc1CBr)Br fpzz0302fp2 [1,0,0,0,0,0|3,0,0]=4 27 B9R1.1 c1cc(ncc1CO)I rp017vp2 [1,0,0,0,0,0|3,0,0]=4 28 B9R1.1 c1cc(ncc1Cl)CBr cdp179fp1 [1,0,0,0,0,0|3,0,0]=4 29 B9R1.1 c1cc(ncc1F)CO cdp187fp3 [1,0,0,0,0,0|3,0,0]=4 30 B9R1.2 CCc1cccc(n1)O a006de4 [1,0,0,0,0,0|2,0,0]=3 31 B9R1.2 CNc1cccc(n1)N cdp206fp14 [1,0,0,0,0,0|3,0,0]=4 32 B9R1.2 COc1cc(cnc1)Cl rp120 [1,0,0,0,0,0|3,0,0]=4 33 B9R1.2 COc1cccc(n1)O a006de5 [1,0,0,0,0,0|3,0,0]=4 34 B9R1.2 Cc1cc(cnc1)CCl cdp225fp2 [1,0,0,0,0,0|2,0,0]=3 35 B9R1.2 Cc1cc(cnc1)CO cdp225fp3 [1,0,0,0,0,0|2,0,0]=3 36 B9R1.2 Cc1cc(cnc1)NC ct051vp1fp2de12 [1,0,0,0,0,0|2,0,0]=3 37 B9R1.2 Cc1cc(cnc1)OC ct074fp3vp1de6 [1,0,0,0,0,0|2,0,0]=3 38 B9R1.2 c1c(cncc1Br)CO cdp240vp1fp1 [1,0,0,0,0,0|3,0,0]=4 39 B9R1.2 c1c(cncc1N)CO cdp240fp3fp1 [1,0,0,0,0,0|3,0,0]=4 40 B9R1.2 c1c(cncc1O)CO cdp240fp3fp2 [1,0,0,0,0,0|3,0,0]=4 41 B9R1.69 Cc1c(cc(cn1)N)Cl cdp238vp2fp2 [1,0,0,0,0,0|3,0,0]=4 42 B9R1.69 Cc1c(ccc(n1)Br)O rp300 [1,0,0,0,0,0|3,0,0]=4 43 B9R1.69 Cc1c(ccc(n1)I)O rp063 [1,0,0,0,0,0|3,0,0]=4 44 B9R1.69 Cc1c(ccc(n1)N)I rp050 [1,0,0,0,0,0|3,0,0]=4 45 B9R1.69 Cc1cc(c(nc1)C)Br pb010vp1 [1,0,0,0,0,0|2,0,0]=3 46 B9R1.69 Cc1cc(c(nc1)C)O cdp254de3 [1,0,0,0,0,0|2,0,0]=3 47 B9R1.69 Cc1cc(c(nc1)F)Br un143 [1,0,0,0,0,0|3,0,0]=4 48 B9R1.69 Cc1cc(c(nc1)F)C rp303 [1,0,0,0,0,0|2,0,0]=3 49 B9R1.69 Cc1cc(c(nc1)I)C rp044 [1,0,0,0,0,0|2,0,0]=3 50 B9R1.69 Cc1cc(c(nc1)N)N rp253 [1,0,0,0,0,0|3,0,0]=4 51 B9R1.69 Cc1cc(c(nc1)N)O cdp244fp3 [1,0,0,0,0,0|3,0,0]=4 52 B9R1.69 Cc1cc(c(nc1)O)C a006de17 [1,0,0,0,0,0|2,0,0]=3 53 B9R1.69 Cc1cc(cnc1Br)O pb036fp1 [1,0,0,0,0,0|3,0,0]=4 54 B9R1.69 Cc1cc(cnc1C)Br pb051vp1 [1,0,0,0,0,0|2,0,0]=3 55 B9R1.69 Cc1cc(cnc1C)O cdp254de1 [1,0,0,0,0,0|2,0,0]=3 56 B9R1.69 Cc1cc(cnc1Cl)O pb037fp1 [1,0,0,0,0,0|3,0,0]=4 57 B9R1.69 Cc1cc(cnc1I)Br rp048 [1,0,0,0,0,0|3,0,0]=4 58 B9R1.69 Cc1cc(cnc1O)Cl a006de14 [1,0,0,0,0,0|3,0,0]=4 59 B9R1.69 Cc1cc(cnc1O)I rp219 [1,0,0,0,0,0|3,0,0]=4 60 B9R1.69 Cc1ccc(c(n1)Br)Br rp053 [1,0,0,0,0,0|3,0,0]=4 61 B9R1.69 Cc1ccc(c(n1)Br)N cdp146fp2 [1,0,0,0,0,0|3,0,0]=4 62 B9R1.69 Cc1ccc(c(n1)C)I cdp146fp3de4 [1,0,0,0,0,0|2,0,0]=3 63 B9R1.69 Cc1ccc(c(n1)N)Cl acp002 [1,0,0,0,0,0|3,0,0]=4 64 B9R1.69 Cc1ccc(c(n1)N)N dap3 [1,0,0,0,0,0|3,0,0]=4 65 B9R1.69 Cc1ccc(nc1Br)Br rp146de2 [1,0,0,0,0,0|3,0,0]=4 66 B9R1.69 Cc1ccc(nc1Br)Cl rp146 [1,0,0,0,0,0|3,0,0]=4 67 B9R1.69 Cc1ccc(nc1Br)F rp146de8 [1,0,0,0,0,0|3,0,0]=4 68 B9R1.69 Cc1ccc(nc1C)N rp261 [1,0,0,0,0,0|2,0,0]=3 69 B9R1.69 Cc1ccc(nc1Cl)Br rp146de1 [1,0,0,0,0,0|3,0,0]=4 70 B9R1.69 Cc1ccc(nc1Cl)F rp146de7 [1,0,0,0,0,0|3,0,0]=4 71 B9R1.69 Cc1ccc(nc1F)Br rp146de4 [1,0,0,0,0,0|3,0,0]=4 72 B9R1.69 Cc1ccc(nc1F)Cl rp146de3 [1,0,0,0,0,0|3,0,0]=4 73 B9R1.69 Cc1ccc(nc1N)C fpzz0294fp2 [1,0,0,0,0,0|2,0,0]=3 74 B9R1.69 Cc1ccc(nc1N)Cl cdp192fp6de3 [1,0,0,0,0,0|3,0,0]=4 75 B9R1.69 Cc1ccc(nc1O)C a006de15 [1,0,0,0,0,0|2,0,0]=3 76 B9R1.69 c1c(nc(c(n1)Cl)Cl)Cl dx011 [1,0,0,0,0,0|3,0,0]=4 77 B9R1.69 c1c(nc(c(n1)N)Br)Br s010a [1,0,0,0,0,0|3,0,0]=4 78 B11R1.14 Cc1c(nc(nc1O)OC)C a132de4 [0,1,0,0,0,0|3,0,0]=4 79 B11R1.14 Cc1cc(nc(c1C)C)C#N rp211de13 [0,1,0,0,0,0|2,0,1]=4 80 B11R1.21 B(c1cc(c(nc1)C)C)(O)O pb051 [0,1,0,0,0,0|3,0,0]=4 81 B11R1.21 Cc1cc(cnc1C)C(=O)O ct077de1 [0,1,0,0,0,0|2,0,1]=4 82 B11R1.21 Cc1ccc(nc1C)C(=O)O rp126 [0,1,0,0,0,0|2,0,1]=4 83 B11R1.192 CCOc1ccc(c(n1)Br)N rp186 [0,1,0,0,0,0|3,0,0]=4 84 B11R1.192 CCOc1ccc(c(n1)N)Br cdp194fp3vp2 [0,1,0,0,0,0|3,0,0]=4 85 B11R1.192 CCOc1ccc(c(n1)N)N dap10 [0,1,0,0,0,0|3,0,0]=4 86 B11R1.277 CCc1c(cc(c(n1)N)Br)Br abp016 [0,1,0,0,0,0|3,0,0]=4 87 B11R1.277 CCc1c(cc(c(n1)N)Cl)Cl acp024 [0,1,0,0,0,0|3,0,0]=4 88 B11R1.277 Cc1cc(c(nc1C)C#N)C rp211de9 [0,1,0,0,0,0|2,0,1]=4 89 B11R1.279 Cc1c(ccc(n1)OC)C=O rp149 [0,1,0,0,0,0|2,0,1]=4 90 B11R1.280 Cc1ccc(nc1C#N)CO cia036lit4de3 [0,1,0,0,0,0|2,0,1]=4 91 B8R1.2 CSc1nccnn1 ct442 [2,0,0,0,0,0|2,0,0]=4 92 B8R1.2 c1cc(cnc1)CI cic018 [2,0,0,0,0,0|2,0,0]=4 93 B8R1.3 Cc1ccc(cn1)Br cdp145 [2,0,0,0,0,0|2,0,0]=4 94 B8R1.3 Cc1ccc(cn1)I cdp146fp3 [2,0,0,0,0,0|2,0,0]=4 95 B8R1.3 Cc1ccc(nc1)I fpzz0302fp5 [2,0,0,0,0,0|2,0,0]=4 96 B8R1.3 Cc1ccc(nc1)O cdp139 [2,0,0,0,0,0|2,0,0]=4 97 B8R1.4 Cc1cc(cnc1)Br cdp226 [2,0,0,0,0,0|2,0,0]=4 98 B8R1.4 Cc1cc(cnc1)Cl cdp237 [2,0,0,0,0,0|2,0,0]=4 99 B8R1.4 Cc1cc(cnc1)F cdp222 [2,0,0,0,0,0|2,0,0]=4 100 B8R1.4 Cc1cc(cnc1)I cdp146fp3de1 [2,0,0,0,0,0|2,0,0]=4 101 B8R1.4 Cc1cc(cnc1)N cdp227 [2,0,0,0,0,0|2,0,0]=4 102 B8R1.4 Cc1cc(cnc1)O cdp244 [2,0,0,0,0,0|2,0,0]=4 103 B8R1.4 Cc1cccc(n1)I rp205 [2,0,0,0,0,0|2,0,0]=4 104 B8R1.4 Cc1cccc(n1)O cdp208 [2,0,0,0,0,0|2,0,0]=4 105 B8R1.5 Cc1c(cccn1)F un146 [2,0,0,0,0,0|2,0,0]=4 106 B8R1.5 Cc1c(cccn1)I cdp062fp1 [2,0,0,0,0,0|2,0,0]=4 107 B8R1.5 Cc1cccnc1F cdp065 [2,0,0,0,0,0|2,0,0]=4 108 B10R1.1 CCCc1ccc(cn1)O cdp254de6 [1,1,0,0,0,0|2,0,0]=4 109 B10R1.1 CCNc1ccc(nc1)C ct051vp1fp2de8 [1,1,0,0,0,0|1,0,0]=3 110 B10R1.1 CCOc1ccc(cn1)C a007de1de8 [1,1,0,0,0,0|1,0,0]=3 111 B10R1.1 CCOc1ccc(cn1)N a007de1de4 [1,1,0,0,0,0|2,0,0]=4 112 B10R1.1 CCOc1ccc(nc1)Br ct091de3 [1,1,0,0,0,0|2,0,0]=4 113 B10R1.1 CCOc1ccc(nc1)N a007de1de1 [1,1,0,0,0,0|2,0,0]=4 114 B10R1.1 Cc1ccc(cn1)CC=C cdp145fp3 [1,1,0,0,0,0|1,0,1]=4 115 B10R1.3 COc1ccc(cn1)CO cia028de2de6 [1,1,0,0,0,0|2,0,0]=4 116 B10R1.3 COc1ccc(nc1)CO cia028de2de4 [1,1,0,0,0,0|2,0,0]=4 117 B10R1.13 Cc1ccc(cn1)N(C)C ct051vp1fp2de7 [1,1,0,0,0,0|2,0,0]=4 118 B10R1.25 Cc1ccc(c(n1)C)OC ct074fp3vp1de2 [1,1,0,0,0,0|2,0,0]=4 119 B10R1.25 Cc1ccc(c(n1)I)OC ct074fp3vp1de4 [1,1,0,0,0,0|2,0,0]=4 120 B10R1.8 Cc1cc(cc(n1)CO)Br cdp107fp21 [1,1,0,0,0,0|2,0,0]=4 121 B10R1.8 Cc1cc(nc(c1)CO)C cia036lit3de1 [1,1,0,0,0,0|2,0,0]=4 122 B10R1.10 CCNc1cc(cnc1)C ct051vp1fp2de13 [1,1,0,0,0,0|1,0,0]=3 123 B10R1.10 CCNc1cccc(n1)N cdp206fp13 [1,1,0,0,0,0|2,0,0]=4 124 B10R1.10 CCOc1cc(cnc1)Cl rp121 [1,1,0,0,0,0|2,0,0]=4 125 B10R1.10 CCOc1cc(cnc1)N cdp229de1 [1,1,0,0,0,0|2,0,0]=4 126 B10R1.10 CCOc1cc(cnc1)O cdp229de2 [1,1,0,0,0,0|2,0,0]=4 127 B10R1.10 CCOc1cccc(n1)C a007de1de7 [1,1,0,0,0,0|1,0,0]=3 128 B10R1.10 CCOc1cccc(n1)F rp007 [1,1,0,0,0,0|2,0,0]=4 129 B10R1.10 CCOc1cccc(n1)N cdp194fp3vp1 [1,1,0,0,0,0|2,0,0]=4 130 B10R1.30 CCc1c(ccc(n1)C)O a197 [1,1,0,0,0,0|1,0,0]=3 131 B10R1.30 CCc1c(ccc(n1)C)O a282 [1,1,0,0,0,0|1,0,0]=3 132 B10R1.30 CCc1c(ccc(n1)N)Br abp015 [1,1,0,0,0,0|2,0,0]=4 133 B10R1.30 CCc1c(ccc(n1)N)Cl acp023 [1,1,0,0,0,0|2,0,0]=4 134 B10R1.30 Cc1ccc(c(n1)OC)Br rp211de25vp1 [1,1,0,0,0,0|2,0,0]=4 135 B10R1.30 Cc1ccc(nc1CO)C cia036lit3de7 [1,1,0,0,0,0|2,0,0]=4 136 B10R1.113 Cc1cc(cnc1)N(C)C ct051vp1fp2de12a [1,1,0,0,0,0|2,0,0]=4 137 B10R1.172 COc1cc(cnc1)OC un121fp2 [1,1,0,0,0,0|2,0,0]=4 138 B10R1.172 COc1cccc(n1)CO cia028de2de5 [1,1,0,0,0,0|2,0,0]=4 139 B10R1.22 Cc1c(nc(cc1N)N)C cdp074de5 [1,1,0,0,0,0|2,0,0]=4 140 B10R1.22 Cc1cc(c(c(n1)C)N)N dap037 [1,1,0,0,0,0|2,0,0]=4 141 B10R1.22 Cc1cc(c(c(n1)N)C)N cdp074de6 [1,1,0,0,0,0|2,0,0]=4 142 B10R1.22 Cc1cc(nc(c1Br)C)C rp200 [1,1,0,0,0,0|2,0,0]=4 143 B10R1.22 Cc1cc(nc(c1C)N)C cdp192fp6de7 [1,1,0,0,0,0|2,0,0]=4 144 B10R1.22 Cc1cc(nc(c1O)C)C cdp254de5 [1,1,0,0,0,0|2,0,0]=4 145 B10R1.118 Cc1c(cc(c(n1)C)N)N cdp230de2 [1,1,0,0,0,0|2,0,0]=4 146 B10R1.118 Cc1cc(c(nc1C)N)N dap9 [1,1,0,0,0,0|2,0,0]=4 147 B8R1.50 Cc1c([nH]nc1C)C nh016 [1,0,0,0,1,0|1,0,0]=3