0 B9R1.69 Cc1c(cc(cn1)Br)N WX609484 [0,0,0,0,0,0|2,1,1]=4 1 B9R1.69 Cc1c(ccc(n1)Cl)Br WX637052 [0,0,0,0,0,0|4,0,0]=4 2 B9R1.69 Cc1cc(c(nc1)F)I WX638020 [0,0,0,0,0,0|3,0,1]=4 3 B9R1.69 Cc1cc(c(nc1)I)C WX638014 [0,0,0,0,0,0|3,0,1]=4 4 B9R1.69 Cc1cc(cnc1N)O WX609496 [0,0,0,0,0,0|3,0,1]=4 5 B9R1.69 Cc1cc(ncc1Br)Cl WX637053 [0,0,0,0,0,0|4,0,0]=4 6 B9R1.69 Cc1ccc(cc1Br)O WX633051 [0,0,0,0,0,0|4,0,0]=4 7 B9R1.69 Cn1cc(ccc1=O)Br WX637374 [0,0,0,0,0,0|3,1,0]=4 8 B9R1.69 c1c(c(cnc1Cl)Cl)I WXC03706 [0,0,0,0,0,0|4,0,0]=4 9 B9R1.69 c1c(c(cnc1Cl)I)F WXC02067 [0,0,0,0,0,0|4,0,0]=4 10 B9R1.69 c1c(c(cnc1Cl)I)N WX609125 [0,0,0,0,0,0|4,0,0]=4 11 B9R1.69 c1c(c(cnc1Cl)O)I WXC03698 [0,0,0,0,0,0|3,0,1]=4 12 B9R1.69 c1c(c(nnc1Cl)N)Br WXC03191 [0,0,0,0,0,0|3,0,1]=4 13 B9R1.69 c1c(cnc(c1Br)F)N WX609473 [0,0,0,0,0,0|3,0,1]=4 14 B9R1.69 c1c(cnc(c1Br)O)Br WX637354 [0,0,0,0,0,0|1,1,2]=4 15 B9R1.69 c1c(cnc(c1F)Cl)N WXC03109 [0,0,0,0,0,0|3,0,1]=4 16 B9R1.69 c1c(cnc(c1I)Cl)Br WXC02307 [0,0,0,0,0,0|2,1,1]=4 17 B9R1.69 c1c(cnc(c1I)N)Br WXC00998 [0,0,0,0,0,0|2,1,1]=4 18 B9R1.69 c1c(cnc(c1I)O)Br WXC02306 [0,0,0,0,0,0|1,1,2]=4 19 B9R1.69 c1c(cnc(c1N)Br)Br WX637367 [0,0,0,0,0,0|2,1,1]=4 20 B9R1.69 c1c(cnc(c1N)N)F WXC03337 [0,0,0,0,0,0|2,1,1]=4 21 B9R1.69 c1c(cnc(c1O)N)Br WX609122 [0,0,0,0,0,0|1,1,1]=3 22 B9R1.69 c1c(nc(c(n1)Br)N)Cl WX609356 [0,0,0,0,0,0|3,0,1]=4 23 B9R1.69 c1cc(c(cc1Br)N)I WX602197 [0,0,0,0,0,0|3,1,0]=4 24 B9R1.69 c1cc(c(cc1Cl)O)I WX634028 [0,0,0,0,0,0|2,0,0]=2 25 B9R1.69 c1cc(c(cc1I)F)N WXC01916 [0,0,0,0,0,0|3,1,0]=4 26 B9R1.69 c1cc(c(cc1O)Br)F WX645040 [0,0,0,0,0,0|4,0,0]=4 27 B9R1.69 c1cc(c(cc1O)Cl)Br WX645074 [0,0,0,0,0,0|4,0,0]=4 28 B9R1.69 c1cc(c(cc1O)O)N WX602111 [0,0,0,0,0,0|3,0,0]=3 29 B9R1.69 c1cc(nc(c1N)Br)Cl WXC03009 [0,0,0,0,0,0|4,0,0]=4 30 B8R1.3 Cc1ccc(cc1)O WX645079 [1,0,0,0,0,0|2,0,1]=4 31 B8R1.3 Cc1ccc(cn1)N WX609427 [1,0,0,0,0,0|2,0,1]=4 32 B8R1.3 Cc1ccc(cn1)O WX649092 [1,0,0,0,0,0|2,0,1]=4 33 B8R1.3 Cc1ccc(nc1)Br WX637311 [1,0,0,0,0,0|2,0,1]=4 34 B8R1.3 Cc1ccc(nc1)O WX649096 [1,0,0,0,0,0|1,0,2]=4 35 B8R1.3 Cc1cnc(cn1)Cl WX636238 [1,0,0,0,0,0|2,0,1]=4 36 B8R1.3 c1c(cnc(n1)Cl)Cl WX636236 [1,0,0,0,0,0|2,0,1]=4 37 B8R1.3 c1cc(ncc1F)F WX639016 [1,0,0,0,0,0|1,1,1]=4 38 B8R1.3 c1cc(nnc1Cl)I WX638010 [1,0,0,0,0,0|2,0,1]=4 39 B8R1.3 c1cc(nnc1N)Cl WX609406 [1,0,0,0,0,0|2,0,1]=4 40 B8R1.4 Cc1cc(ccn1)O WX645022 [1,0,0,0,0,0|3,0,0]=4 41 B8R1.4 Cc1cc(cnc1)N WX609450 [1,0,0,0,0,0|2,0,1]=4 42 B8R1.4 Cc1cc(cnc1)O WX649090 [1,0,0,0,0,0|1,0,1]=3 43 B8R1.4 Cc1cccc(c1)O WX645080 [1,0,0,0,0,0|2,0,0]=3 44 B8R1.4 Cc1cccc(n1)O WX649098 [1,0,0,0,0,0|3,0,0]=4 45 B8R1.4 Cc1ccnc(c1)Cl WX636229 [1,0,0,0,0,0|3,0,0]=4 46 B8R1.4 Cc1ccnc(c1)O WX649095 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.4 Cc1cncc(n1)Cl WX636239 [1,0,0,0,0,0|2,0,1]=4 48 B8R1.4 c1c(cn[nH]c1=O)Cl WX636243 [1,0,0,0,0,0|1,0,2]=4 49 B8R1.4 c1c(cncc1F)O WX649045 [1,0,0,0,0,0|0,1,1]=3 50 B8R1.4 c1c(cnnc1Cl)N WX609431 [1,0,0,0,0,0|2,0,1]=4 51 B8R1.4 c1c(nc(cn1)Br)Cl WX637068 [1,0,0,0,0,0|2,0,1]=4 52 B8R1.4 c1cc(nc(c1)Br)O WXC02241 [1,0,0,0,0,0|2,1,0]=4 53 B8R1.4 c1cnc(cc1Cl)O WX636064 [1,0,0,0,0,0|2,0,0]=3 54 B8R1.5 Cc1c(cccn1)N WX609161 [1,0,0,0,0,0|2,0,1]=4 55 B8R1.5 Cc1c(cccn1)O WX649093 [1,0,0,0,0,0|1,0,1]=3 56 B8R1.5 Cc1ccccc1O WX645081 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.5 Cc1cccnc1Cl WX636230 [1,0,0,0,0,0|2,0,1]=4 58 B8R1.5 Cc1cccnc1O WX649097 [1,0,0,0,0,0|1,0,2]=4 59 B8R1.5 Cc1ccncc1O WX649091 [1,0,0,0,0,0|3,0,0]=4 60 B8R1.5 Cc1cnccc1O WX645018 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.5 c1cc(c(nc1)Br)F WX637049 [1,0,0,0,0,0|2,0,1]=4 62 B8R1.5 c1cc(c(nc1)Cl)I WX636168 [1,0,0,0,0,0|2,0,1]=4 63 B8R1.5 c1cc(c(nc1)F)I WX634015 [1,0,0,0,0,0|2,0,1]=4 64 B8R1.5 c1cc(c(nc1)N)Cl WX609235 [1,0,0,0,0,0|2,0,1]=4 65 B8R1.5 c1cc(c(nc1)N)I WX638018 [1,0,0,0,0,0|2,0,1]=4 66 B8R1.5 c1cncc(c1N)O WX609099 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.5 c1cncc(c1O)N WX609105 [1,0,0,0,0,0|3,0,0]=4 68 B10R1.22 Cc1cc(c(c(c1)O)I)O WX645086 [0,1,0,0,0,0|3,0,0]=4 69 B10R1.22 Cc1cc(cc(c1Br)O)O WX633179 [0,1,0,0,0,0|3,0,0]=4 70 B10R1.22 Cc1cc(cc(c1I)O)Cl WX645038 [0,1,0,0,0,0|2,0,0]=3 71 B10R1.22 Cn1cc(nc(c1=O)Br)Br WX637361 [0,1,0,0,0,0|2,1,0]=4 72 B10R1.22 c1c(cc(c(c1F)N)Cl)Cl WXC01539 [0,1,0,0,0,0|3,0,0]=4 73 B10R1.25 C#Cc1ccc(cc1Cl)Cl WX686206 [0,1,0,0,0,0|3,0,0]=4 74 B10R1.25 COc1ccc(cc1O)O WX645051 [0,1,0,0,0,0|2,0,1]=4 75 B10R1.25 Cc1c(ccc(n1)Cl)C=O WX624065 [0,1,0,0,0,0|3,0,0]=4 76 B10R1.25 Cc1cc(ncc1C=O)Cl WX624064 [0,1,0,0,0,0|3,0,0]=4 77 B10R1.25 c1c(c(cnc1Cl)C=O)Cl WXC01807 [0,1,0,0,0,0|3,0,0]=4 78 B10R1.25 c1cc(c(cc1Br)O)C=O WX622075 [0,1,0,0,0,0|1,1,0]=3 79 B10R1.25 c1cc(c(cc1Br)O)CO WXC01145 [0,1,0,0,0,0|1,1,1]=4 80 B10R1.25 c1cc(c(cc1F)F)C=O WXC00153 [0,1,0,0,0,0|2,1,0]=4 81 B10R1.25 c1cc(c(cc1F)O)C=O WX622072 [0,1,0,0,0,0|1,1,0]=3 82 B10R1.25 c1cc(c(cc1O)Br)C=O WX622017 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.25 c1cc(nc(c1C=O)F)Cl WX636267 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.30 COc1cc(cnc1Cl)Br WX637391 [0,1,0,0,0,0|1,1,1]=4 85 B10R1.30 Cc1ccc(c(c1)OC)Cl WX632007 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.30 c1c(c[nH]c(=O)c1C#N)Br WXC02545 [0,1,0,0,0,0|1,1,0]=3 87 B10R1.30 c1cc(c(cc1Br)CO)O WXC01146 [0,1,0,0,0,0|1,1,1]=4 88 B10R1.30 c1cc(c(cc1Cl)C=O)Cl WXC00108 [0,1,0,0,0,0|2,0,1]=4 89 B10R1.118 Cc1c(nc(c(=O)o1)Cl)Cl WXC02003 [0,1,0,0,0,0|3,0,0]=4 90 B10R1.118 c1c(c(cc(c1I)Cl)F)N WX602121 [0,1,0,0,0,0|3,0,0]=4 91 B10R1.118 c1c(c(nc(c1Cl)Cl)Br)N WXC01177 [0,1,0,0,0,0|2,0,1]=4 92 B10R1.118 c1c(c(nc(c1Cl)Cl)I)O WXC01201 [0,1,0,0,0,0|1,0,1]=3 93 B10R1.176 c1cc(c(cc1C=O)O)I WX622029 [0,1,0,0,0,0|3,0,0]=4 94 B7R1.3 c1c(cncn1)O WX645041 [2,0,0,0,0,0|1,0,1]=4 95 B7R1.3 c1cc(cnc1)N WX609448 [2,0,0,0,0,0|1,0,1]=4 96 B7R1.3 c1cc(cnc1)O WX649089 [2,0,0,0,0,0|0,0,1]=3 97 B7R1.3 c1cc(nnc1)Cl WX636063 [2,0,0,0,0,0|1,0,1]=4 98 B7R1.3 c1ccc(cc1)O WX645078 [2,0,0,0,0,0|1,0,0]=3 99 B7R1.3 c1ccnc(c1)O WX649094 [2,0,0,0,0,0|0,0,2]=4 100 B7R1.3 c1cnc(cn1)Cl WX636237 [2,0,0,0,0,0|1,0,1]=4 101 B7R1.3 c1cnccc1O WX649100 [2,0,0,0,0,0|2,0,0]=4 102 B9R1.1 c1c(ncc(n1)Cl)C=O WX624222 [1,1,0,0,0,0|1,0,1]=4 103 B9R1.1 c1cc(ncc1Br)C=O WX624044 [1,1,0,0,0,0|0,1,1]=4 104 B9R1.1 c1cc(ncc1C=O)Cl WX624043 [1,1,0,0,0,0|2,0,0]=4 105 B9R1.1 c1cc(ncc1Cl)C=O WX624172 [1,1,0,0,0,0|0,0,1]=3 106 B9R1.2 COc1cc(ccn1)Cl WX636220 [1,1,0,0,0,0|2,0,0]=4 107 B9R1.2 Cc1cc(cnc1)CO WX640286 [1,1,0,0,0,0|1,0,1]=4 108 B9R1.2 c1c(cncc1Br)CO WX640147 [1,1,0,0,0,0|0,1,1]=4 109 B9R1.2 c1c(cncc1Cl)C=O WX624175 [1,1,0,0,0,0|0,0,2]=4 110 B9R1.2 c1c(cncc1Cl)CO WXC01376 [1,1,0,0,0,0|0,0,1]=3 111 B9R1.2 c1c(nc(cn1)Cl)CO WX636325 [1,1,0,0,0,0|1,0,1]=4 112 B9R1.2 c1cnc(cc1CO)Cl WX640039 [1,1,0,0,0,0|2,0,0]=4 113 B9R1.2 c1cnc(cc1Cl)CO WX640283 [1,1,0,0,0,0|2,0,0]=4 114 B9R1.3 c1cc(c(c(c1)Br)I)O WX645030 [1,1,0,0,0,0|1,1,0]=4 115 B9R1.34 c1c(cc(cc1Cl)Br)N WX602162 [1,1,0,0,0,0|2,0,0]=4 116 B9R1.15 CCc1c(cccn1)O WX649107 [1,1,0,0,0,0|1,0,1]=4 117 B9R1.15 Cc1c(cccn1)CO WX640263 [1,1,0,0,0,0|1,0,1]=4 118 B9R1.15 Cc1cccnc1C=O WX624058 [1,1,0,0,0,0|1,0,1]=4 119 B9R1.15 c1cc(c(=O)[nH]c1)C#N WX683511 [1,1,0,0,0,0|1,0,0]=3 120 B9R1.15 c1cc(c(nc1)Br)CO WXC02240 [1,1,0,0,0,0|1,0,1]=4 121 B9R1.15 c1ccc(c(c1)CN)O WXC02211 [1,1,0,0,0,0|2,0,0]=4 122 B9R1.15 c1ccc(c(c1)CO)I WX640329 [1,1,0,0,0,0|2,0,0]=4 123 B9R1.22 Cc1cc([nH]c1C=O)C WX624103 [0,1,0,0,1,0|2,0,0]=4 124 B9R1.37 C1(=C(C(=O)NC1=O)Cl)Cl WXC03240 [0,1,0,0,1,0|2,0,0]=4 125 B11R1.8 Cc1cc(cc(c1I)OC)Cl WX634017 [0,2,0,0,0,0|2,0,0]=4 126 B11R1.464 Cc1cc(cc(c1C=O)O)O WX622084 [0,2,0,0,0,0|2,0,0]=4 127 B11R1.37 COc1c(ccc(n1)Cl)C=O WXC01981 [0,2,0,0,0,0|2,0,0]=4 128 B11R1.37 c1cc(c(cc1Cl)CO)CO WX640146 [0,2,0,0,0,0|1,0,1]=4 129 B11R1.166 CC(=O)c1ccc(cc1O)Br WX626004 [0,2,0,0,0,0|1,1,0]=4 130 B11R1.166 c1c(cnc(c1F)[N+](=O)[O-])Cl WXC04650 [0,2,0,0,0,0|1,0,1]=4 131 B11R1.166 c1cc(c(cc1Cl)O)C(=O)N WX632029 [0,2,0,0,0,0|1,0,0]=3 132 B11R1.166 c1cc(c(cc1O)O)[N+](=O)[O-] WX645001 [0,2,0,0,0,0|2,0,0]=4 133 B11R1.277 Cc1cc(c(=O)[nH]c1C)C#N WX683520 [0,2,0,0,0,0|2,0,0]=4 134 B11R1.278 Cc1c(ccc(c1O)C=O)O WXC01854 [0,2,0,0,0,0|2,0,0]=4