0 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [0,0,0,0,0,0|3,0,0]=3 1 B9R1.11 CNC(=O)c1c[nH]cn1 WXVL_AK00442SC0074 [0,0,0,0,0,0|3,0,0]=3 2 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [0,0,0,0,0,0|3,0,0]=3 3 B9R1.11 CNC(=O)c1cc[nH]c1 WXVL_AK00442SC0013 [0,0,0,0,0,0|3,0,0]=3 4 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [0,0,0,0,0,0|3,0,0]=3 5 B9R1.11 CNC(=O)c1cc[nH]n1 WXVL_AK00442SC0003 [0,0,0,0,0,0|3,0,0]=3 6 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,0,0,0,0,0|1,0,0]=1 7 B9R1.11 CNC(=O)c1ccco1 WXVL_AK00442SC0049 [0,0,0,0,0,0|1,0,0]=1 8 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,0,0,0,0,0|1,1,0]=2 9 B9R1.11 CNC(=O)c1cccs1 WXVL_AK00442SC0051 [0,0,0,0,0,0|1,1,0]=2 10 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [0,0,0,0,0,0|2,0,0]=2 11 B9R1.11 CNC(=O)c1ccno1 WXVL_AK00442SC0080 [0,0,0,0,0,0|2,0,0]=2 12 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,0,0,0,0,0|2,1,0]=3 13 B9R1.11 CNC(=O)c1ccns1 WXVL_AK00442SC0027 [0,0,0,0,0,0|2,1,0]=3 14 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [0,0,0,0,0,0|3,0,0]=3 15 B9R1.11 CNC(=O)c1ccoc1 WXVL_AK00442SC0050 [0,0,0,0,0,0|3,0,0]=3 16 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [0,0,0,0,0,0|3,0,0]=3 17 B9R1.11 CNC(=O)c1ccon1 WXVL_AK00442SC0116 [0,0,0,0,0,0|3,0,0]=3 18 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [0,0,0,0,0,0|3,0,0]=3 19 B9R1.11 CNC(=O)c1ccsc1 WXVL_AK00442SC0054 [0,0,0,0,0,0|3,0,0]=3 20 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [0,0,0,0,0,0|3,0,0]=3 21 B9R1.11 CNC(=O)c1ccsn1 WXVL_AK00442SC0764 [0,0,0,0,0,0|3,0,0]=3 22 B9R1.11 CNC(=O)c1cn[nH]c1 WXVL_AK00442SC0254 [0,0,0,0,0,0|4,0,0]=4 23 B9R1.11 CNC(=O)c1cn[nH]c1 WXVL_AK00442SC0254 [0,0,0,0,0,0|4,0,0]=4 24 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [0,0,0,0,0,0|3,0,0]=3 25 B9R1.11 CNC(=O)c1cnc[nH]1 WXVL_AK00442SC0247 [0,0,0,0,0,0|3,0,0]=3 26 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [0,0,0,0,0,0|2,0,0]=2 27 B9R1.11 CNC(=O)c1cnco1 WXVL_AK00442SC0018 [0,0,0,0,0,0|2,0,0]=2 28 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [0,0,0,0,0,0|2,1,0]=3 29 B9R1.11 CNC(=O)c1cncs1 WXVL_AK00442SC0113 [0,0,0,0,0,0|2,1,0]=3 30 B9R1.11 CNC(=O)c1cnon1 WXVL_AK00442SC0777 [0,0,0,0,0,0|4,0,0]=4 31 B9R1.11 CNC(=O)c1cnon1 WXVL_AK00442SC0777 [0,0,0,0,0,0|4,0,0]=4 32 B9R1.11 CNC(=O)c1cnsn1 WXVL_AK00442SC1291 [0,0,0,0,0,0|4,0,0]=4 33 B9R1.11 CNC(=O)c1cnsn1 WXVL_AK00442SC1291 [0,0,0,0,0,0|4,0,0]=4 34 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [0,0,0,0,0,0|3,0,0]=3 35 B9R1.11 CNC(=O)c1cocn1 WXVL_AK00442SC0118 [0,0,0,0,0,0|3,0,0]=3 36 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,0,0,0,0,0|3,0,0]=3 37 B9R1.11 CNC(=O)c1cscn1 WXVL_AK00442SC0092 [0,0,0,0,0,0|3,0,0]=3 38 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,0,0,0,0,0|4,0,0]=4 39 B9R1.11 CNC(=O)c1csnn1 WXVL_AK00442SC0002 [0,0,0,0,0,0|4,0,0]=4 40 B9R1.11 CNC(=O)c1nc[nH]n1 WXVL_AK00442SC0376 [0,0,0,0,0,0|4,0,0]=4 41 B9R1.11 CNC(=O)c1nc[nH]n1 WXVL_AK00442SC0376 [0,0,0,0,0,0|4,0,0]=4 42 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,0,0,0,0,0|2,1,0]=3 43 B9R1.11 CNC(=O)c1nccs1 WXVL_AK00442SC0110 [0,0,0,0,0,0|2,1,0]=3 44 B9R1.11 CNC(=O)c1nnc[nH]1 WXVL_AK00442SC00053 [0,0,0,0,0,0|4,0,0]=4 45 B9R1.11 CNC(=O)c1nnc[nH]1 WXVL_AK00442SC00053 [0,0,0,0,0,0|4,0,0]=4 46 B8R1.7 NC(=O)c1c[nH]cn1 WXVL_AK0084SC0074 [1,0,0,0,0,0|3,0,0]=4 47 B8R1.7 NC(=O)c1c[nH]cn1 WXVL_AK0084SC0074 [1,0,0,0,0,0|3,0,0]=4 48 B8R1.7 NC(=O)c1cc[nH]c1 WXVL_AK0084SC0013 [1,0,0,0,0,0|3,0,0]=4 49 B8R1.7 NC(=O)c1cc[nH]c1 WXVL_AK0084SC0013 [1,0,0,0,0,0|3,0,0]=4 50 B8R1.7 NC(=O)c1cc[nH]n1 WXVL_AK0084SC0003 [1,0,0,0,0,0|3,0,0]=4 51 B8R1.7 NC(=O)c1cc[nH]n1 WXVL_AK0084SC0003 [1,0,0,0,0,0|3,0,0]=4 52 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [1,0,0,0,0,0|1,0,0]=2 53 B8R1.7 NC(=O)c1ccco1 WXVL_AK0084SC0049 [1,0,0,0,0,0|1,0,0]=2 54 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [1,0,0,0,0,0|1,1,0]=3 55 B8R1.7 NC(=O)c1cccs1 WXVL_AK0084SC0051 [1,0,0,0,0,0|1,1,0]=3 56 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [1,0,0,0,0,0|2,0,0]=3 57 B8R1.7 NC(=O)c1ccno1 WXVL_AK0084SC0080 [1,0,0,0,0,0|2,0,0]=3 58 B8R1.7 NC(=O)c1ccns1 WXVL_AK0084SC0027 [1,0,0,0,0,0|2,1,0]=4 59 B8R1.7 NC(=O)c1ccns1 WXVL_AK0084SC0027 [1,0,0,0,0,0|2,1,0]=4 60 B8R1.7 NC(=O)c1ccoc1 WXVL_AK0084SC0050 [1,0,0,0,0,0|3,0,0]=4 61 B8R1.7 NC(=O)c1ccoc1 WXVL_AK0084SC0050 [1,0,0,0,0,0|3,0,0]=4 62 B8R1.7 NC(=O)c1ccon1 WXVL_AK0084SC0116 [1,0,0,0,0,0|3,0,0]=4 63 B8R1.7 NC(=O)c1ccon1 WXVL_AK0084SC0116 [1,0,0,0,0,0|3,0,0]=4 64 B8R1.7 NC(=O)c1ccsc1 WXVL_AK0084SC0054 [1,0,0,0,0,0|3,0,0]=4 65 B8R1.7 NC(=O)c1ccsc1 WXVL_AK0084SC0054 [1,0,0,0,0,0|3,0,0]=4 66 B8R1.7 NC(=O)c1ccsn1 WXVL_AK0084SC0764 [1,0,0,0,0,0|3,0,0]=4 67 B8R1.7 NC(=O)c1ccsn1 WXVL_AK0084SC0764 [1,0,0,0,0,0|3,0,0]=4 68 B8R1.7 NC(=O)c1cnc[nH]1 WXVL_AK0084SC0247 [1,0,0,0,0,0|3,0,0]=4 69 B8R1.7 NC(=O)c1cnc[nH]1 WXVL_AK0084SC0247 [1,0,0,0,0,0|3,0,0]=4 70 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [1,0,0,0,0,0|2,0,0]=3 71 B8R1.7 NC(=O)c1cnco1 WXVL_AK0084SC0018 [1,0,0,0,0,0|2,0,0]=3 72 B8R1.7 NC(=O)c1cncs1 WXVL_AK0084SC0113 [1,0,0,0,0,0|2,1,0]=4 73 B8R1.7 NC(=O)c1cncs1 WXVL_AK0084SC0113 [1,0,0,0,0,0|2,1,0]=4 74 B8R1.7 NC(=O)c1cocn1 WXVL_AK0084SC0118 [1,0,0,0,0,0|3,0,0]=4 75 B8R1.7 NC(=O)c1cocn1 WXVL_AK0084SC0118 [1,0,0,0,0,0|3,0,0]=4 76 B8R1.7 NC(=O)c1cscn1 WXVL_AK0084SC0092 [1,0,0,0,0,0|3,0,0]=4 77 B8R1.7 NC(=O)c1cscn1 WXVL_AK0084SC0092 [1,0,0,0,0,0|3,0,0]=4 78 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [1,0,0,0,0,0|2,1,0]=4 79 B8R1.7 NC(=O)c1nccs1 WXVL_AK0084SC0110 [1,0,0,0,0,0|2,1,0]=4 80 B10R1.6 CNS(=O)(=O)c1cccs1 WXVL_AK00442HU0005 [0,1,0,0,0,0|2,1,0]=4 81 B10R1.6 CNS(=O)(=O)c1cccs1 WXVL_AK00442HU0005 [0,1,0,0,0,0|2,1,0]=4 82 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,1,0,0,0,0|3,0,0]=4 83 B10R1.11 CCNC(=O)c1c[nH]cn1 WXVL_AK00476SC0074 [0,1,0,0,0,0|3,0,0]=4 84 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,1,0,0,0,0|3,0,0]=4 85 B10R1.11 CCNC(=O)c1cc[nH]c1 WXVL_AK00476SC0013 [0,1,0,0,0,0|3,0,0]=4 86 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,1,0,0,0,0|3,0,0]=4 87 B10R1.11 CCNC(=O)c1cc[nH]n1 WXVL_AK00476SC0003 [0,1,0,0,0,0|3,0,0]=4 88 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,1,0,0,0,0|1,0,0]=2 89 B10R1.11 CCNC(=O)c1ccco1 WXVL_AK00476SC0049 [0,1,0,0,0,0|1,0,0]=2 90 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,1,0,0,0,0|1,1,0]=3 91 B10R1.11 CCNC(=O)c1cccs1 WXVL_AK00476SC0051 [0,1,0,0,0,0|1,1,0]=3 92 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,1,0,0,0,0|2,0,0]=3 93 B10R1.11 CCNC(=O)c1ccno1 WXVL_AK00476SC0080 [0,1,0,0,0,0|2,0,0]=3 94 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,1,0,0,0,0|2,1,0]=4 95 B10R1.11 CCNC(=O)c1ccns1 WXVL_AK00476SC0027 [0,1,0,0,0,0|2,1,0]=4 96 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,1,0,0,0,0|3,0,0]=4 97 B10R1.11 CCNC(=O)c1ccoc1 WXVL_AK00476SC0050 [0,1,0,0,0,0|3,0,0]=4 98 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,1,0,0,0,0|3,0,0]=4 99 B10R1.11 CCNC(=O)c1ccon1 WXVL_AK00476SC0116 [0,1,0,0,0,0|3,0,0]=4 100 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,1,0,0,0,0|3,0,0]=4 101 B10R1.11 CCNC(=O)c1ccsc1 WXVL_AK00476SC0054 [0,1,0,0,0,0|3,0,0]=4 102 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,1,0,0,0,0|3,0,0]=4 103 B10R1.11 CCNC(=O)c1ccsn1 WXVL_AK00476SC0764 [0,1,0,0,0,0|3,0,0]=4 104 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,1,0,0,0,0|3,0,0]=4 105 B10R1.11 CCNC(=O)c1cnc[nH]1 WXVL_AK00476SC0247 [0,1,0,0,0,0|3,0,0]=4 106 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,1,0,0,0,0|2,0,0]=3 107 B10R1.11 CCNC(=O)c1cnco1 WXVL_AK00476SC0018 [0,1,0,0,0,0|2,0,0]=3 108 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,1,0,0,0,0|2,1,0]=4 109 B10R1.11 CCNC(=O)c1cncs1 WXVL_AK00476SC0113 [0,1,0,0,0,0|2,1,0]=4 110 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,1,0,0,0,0|3,0,0]=4 111 B10R1.11 CCNC(=O)c1cocn1 WXVL_AK00476SC0118 [0,1,0,0,0,0|3,0,0]=4 112 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,1,0,0,0,0|3,0,0]=4 113 B10R1.11 CCNC(=O)c1cscn1 WXVL_AK00476SC0092 [0,1,0,0,0,0|3,0,0]=4 114 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,1,0,0,0,0|2,1,0]=4 115 B10R1.11 CCNC(=O)c1nccs1 WXVL_AK00476SC0110 [0,1,0,0,0,0|2,1,0]=4 116 B10R1.14 CNC(=O)c1c[nH]c(c1)C WXVL_AK00442SC0298 [0,1,0,0,0,0|3,0,0]=4 117 B10R1.14 CNC(=O)c1c[nH]c(c1)C WXVL_AK00442SC0298 [0,1,0,0,0,0|3,0,0]=4 118 B10R1.14 CNC(=O)c1c[nH]c(n1)C WXVL_AK00442SC0009 [0,1,0,0,0,0|3,0,0]=4 119 B10R1.14 CNC(=O)c1c[nH]c(n1)C WXVL_AK00442SC0009 [0,1,0,0,0,0|3,0,0]=4 120 B10R1.14 CNC(=O)c1cc([nH]n1)C WXVL_AK00442SC0267 [0,1,0,0,0,0|3,0,0]=4 121 B10R1.14 CNC(=O)c1cc([nH]n1)C WXVL_AK00442SC0267 [0,1,0,0,0,0|3,0,0]=4 122 B10R1.14 CNC(=O)c1cc(c[nH]1)Br WXVL_AK00442SC0644 [0,1,0,0,0,0|2,0,0]=3 123 B10R1.14 CNC(=O)c1cc(c[nH]1)Br WXVL_AK00442SC0644 [0,1,0,0,0,0|2,0,0]=3 124 B10R1.14 CNC(=O)c1cc(c[nH]1)C WXVL_AK00442SC0830 [0,1,0,0,0,0|2,0,0]=3 125 B10R1.14 CNC(=O)c1cc(c[nH]1)C WXVL_AK00442SC0830 [0,1,0,0,0,0|2,0,0]=3 126 B10R1.14 CNC(=O)c1cc(c[nH]1)F WXVL_AK00442SC0334 [0,1,0,0,0,0|2,0,0]=3 127 B10R1.14 CNC(=O)c1cc(c[nH]1)F WXVL_AK00442SC0334 [0,1,0,0,0,0|2,0,0]=3 128 B10R1.14 CNC(=O)c1cc(cs1)Br WXVL_AK00442SC0188 [0,1,0,0,0,0|1,1,0]=3 129 B10R1.14 CNC(=O)c1cc(cs1)Br WXVL_AK00442SC0188 [0,1,0,0,0,0|1,1,0]=3 130 B10R1.14 CNC(=O)c1cc(cs1)C WXVL_AK00442SC0004 [0,1,0,0,0,0|1,1,0]=3 131 B10R1.14 CNC(=O)c1cc(cs1)C WXVL_AK00442SC0004 [0,1,0,0,0,0|1,1,0]=3 132 B10R1.14 CNC(=O)c1cc(n[nH]1)C WXVL_AK00442SC2215 [0,1,0,0,0,0|3,0,0]=4 133 B10R1.14 CNC(=O)c1cc(n[nH]1)C WXVL_AK00442SC2215 [0,1,0,0,0,0|3,0,0]=4 134 B10R1.14 CNC(=O)c1cc(no1)C WXVL_AK00442SC0089 [0,1,0,0,0,0|2,0,0]=3 135 B10R1.14 CNC(=O)c1cc(no1)C WXVL_AK00442SC0089 [0,1,0,0,0,0|2,0,0]=3 136 B10R1.14 CNC(=O)c1cc(no1)O WXVL_AK00442SC0522 [0,1,0,0,0,0|2,0,0]=3 137 B10R1.14 CNC(=O)c1cc(no1)O WXVL_AK00442SC0522 [0,1,0,0,0,0|2,0,0]=3 138 B10R1.14 CNC(=O)c1cc(on1)C WXVL_AK00442SC0101 [0,1,0,0,0,0|3,0,0]=4 139 B10R1.14 CNC(=O)c1cc(on1)C WXVL_AK00442SC0101 [0,1,0,0,0,0|3,0,0]=4 140 B10R1.14 CNC(=O)c1ccc(o1)C WXVL_AK00442SC0005 [0,1,0,0,0,0|1,0,0]=2 141 B10R1.14 CNC(=O)c1ccc(o1)C WXVL_AK00442SC0005 [0,1,0,0,0,0|1,0,0]=2 142 B10R1.14 CNC(=O)c1ccc(o1)Cl WXVL_AK00442SC0926 [0,1,0,0,0,0|1,0,0]=2 143 B10R1.14 CNC(=O)c1ccc(o1)Cl WXVL_AK00442SC0926 [0,1,0,0,0,0|1,0,0]=2 144 B10R1.14 CNC(=O)c1ccc(s1)Br WXVL_AK00442SC0359 [0,1,0,0,0,0|1,1,0]=3 145 B10R1.14 CNC(=O)c1ccc(s1)Br WXVL_AK00442SC0359 [0,1,0,0,0,0|1,1,0]=3 146 B10R1.14 CNC(=O)c1ccc(s1)C WXVL_AK00442SC0053 [0,1,0,0,0,0|1,1,0]=3 147 B10R1.14 CNC(=O)c1ccc(s1)C WXVL_AK00442SC0053 [0,1,0,0,0,0|1,1,0]=3 148 B10R1.14 CNC(=O)c1ccc(s1)Cl WXVL_AK00442SC0067 [0,1,0,0,0,0|1,1,0]=3 149 B10R1.14 CNC(=O)c1ccc(s1)Cl WXVL_AK00442SC0067 [0,1,0,0,0,0|1,1,0]=3 150 B10R1.14 CNC(=O)c1ccn(c1)C WXVL_AK00442SC0038 [0,1,0,0,0,0|3,0,0]=4 151 B10R1.14 CNC(=O)c1ccn(c1)C WXVL_AK00442SC0038 [0,1,0,0,0,0|3,0,0]=4 152 B10R1.14 CNC(=O)c1ccn(n1)C WXVL_AK00442SC0091 [0,1,0,0,0,0|3,0,0]=4 153 B10R1.14 CNC(=O)c1ccn(n1)C WXVL_AK00442SC0091 [0,1,0,0,0,0|3,0,0]=4 154 B10R1.14 CNC(=O)c1cn(cn1)C WXVL_AK00442SC0111 [0,1,0,0,0,0|3,0,0]=4 155 B10R1.14 CNC(=O)c1cn(cn1)C WXVL_AK00442SC0111 [0,1,0,0,0,0|3,0,0]=4 156 B10R1.14 CNC(=O)c1cnc([nH]1)O WXVL_AK00442SC0498 [0,1,0,0,0,0|3,0,0]=4 157 B10R1.14 CNC(=O)c1cnc([nH]1)O WXVL_AK00442SC0498 [0,1,0,0,0,0|3,0,0]=4 158 B10R1.14 CNC(=O)c1cnc(o1)Br WXVL_AK00442SC0815 [0,1,0,0,0,0|2,0,0]=3 159 B10R1.14 CNC(=O)c1cnc(o1)Br WXVL_AK00442SC0815 [0,1,0,0,0,0|2,0,0]=3 160 B10R1.14 CNC(=O)c1cnc(s1)Br WXVL_AK00442SC0723 [0,1,0,0,0,0|2,1,0]=4 161 B10R1.14 CNC(=O)c1cnc(s1)Br WXVL_AK00442SC0723 [0,1,0,0,0,0|2,1,0]=4 162 B10R1.14 CNC(=O)c1cnc(s1)C WXVL_AK00442SC0326 [0,1,0,0,0,0|2,1,0]=4 163 B10R1.14 CNC(=O)c1cnc(s1)C WXVL_AK00442SC0326 [0,1,0,0,0,0|2,1,0]=4 164 B10R1.14 CNC(=O)c1cnc(s1)Cl WXVL_AK00442SC0638 [0,1,0,0,0,0|2,1,0]=4 165 B10R1.14 CNC(=O)c1cnc(s1)Cl WXVL_AK00442SC0638 [0,1,0,0,0,0|2,1,0]=4 166 B10R1.14 CNC(=O)c1coc(n1)C WXVL_AK00442SC0086 [0,1,0,0,0,0|3,0,0]=4 167 B10R1.14 CNC(=O)c1coc(n1)C WXVL_AK00442SC0086 [0,1,0,0,0,0|3,0,0]=4 168 B10R1.14 CNC(=O)c1coc(n1)Cl WXVL_AK00442SC1341 [0,1,0,0,0,0|3,0,0]=4 169 B10R1.14 CNC(=O)c1coc(n1)Cl WXVL_AK00442SC1341 [0,1,0,0,0,0|3,0,0]=4 170 B10R1.14 CNC(=O)c1csc(c1)Br WXVL_AK00442SC0189 [0,1,0,0,0,0|3,0,0]=4 171 B10R1.14 CNC(=O)c1csc(c1)Br WXVL_AK00442SC0189 [0,1,0,0,0,0|3,0,0]=4 172 B10R1.14 CNC(=O)c1csc(n1)C WXVL_AK00442SC0112 [0,1,0,0,0,0|3,0,0]=4 173 B10R1.14 CNC(=O)c1csc(n1)C WXVL_AK00442SC0112 [0,1,0,0,0,0|3,0,0]=4 174 B10R1.14 CNC(=O)c1csc(n1)Cl WXVL_AK00442SC0688 [0,1,0,0,0,0|3,0,0]=4 175 B10R1.14 CNC(=O)c1csc(n1)Cl WXVL_AK00442SC0688 [0,1,0,0,0,0|3,0,0]=4 176 B10R1.14 CNC(=O)c1nc(cs1)Br WXVL_AK00442SC0687 [0,1,0,0,0,0|2,1,0]=4 177 B10R1.14 CNC(=O)c1nc(cs1)Br WXVL_AK00442SC0687 [0,1,0,0,0,0|2,1,0]=4 178 B10R1.14 CNC(=O)c1nc(cs1)C WXVL_AK00442SC0538 [0,1,0,0,0,0|2,1,0]=4 179 B10R1.14 CNC(=O)c1nc(cs1)C WXVL_AK00442SC0538 [0,1,0,0,0,0|2,1,0]=4 180 B10R1.14 CNC(=O)c1ncc(s1)C WXVL_AK00442SC0031 [0,1,0,0,0,0|2,1,0]=4 181 B10R1.14 CNC(=O)c1ncc(s1)C WXVL_AK00442SC0031 [0,1,0,0,0,0|2,1,0]=4 182 B10R1.23 CN(C)C(=O)c1c[nH]cn1 WXVL_AN0032SC0074 [0,1,0,0,0,0|3,0,0]=4 183 B10R1.23 CN(C)C(=O)c1c[nH]cn1 WXVL_AN0032SC0074 [0,1,0,0,0,0|3,0,0]=4 184 B10R1.23 CN(C)C(=O)c1cc[nH]c1 WXVL_AN0032SC0013 [0,1,0,0,0,0|3,0,0]=4 185 B10R1.23 CN(C)C(=O)c1cc[nH]c1 WXVL_AN0032SC0013 [0,1,0,0,0,0|3,0,0]=4 186 B10R1.23 CN(C)C(=O)c1cc[nH]n1 WXVL_AN0032SC0003 [0,1,0,0,0,0|3,0,0]=4 187 B10R1.23 CN(C)C(=O)c1cc[nH]n1 WXVL_AN0032SC0003 [0,1,0,0,0,0|3,0,0]=4 188 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [0,1,0,0,0,0|1,0,0]=2 189 B10R1.23 CN(C)C(=O)c1ccco1 WXVL_AN0032SC0049 [0,1,0,0,0,0|1,0,0]=2 190 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [0,1,0,0,0,0|1,1,0]=3 191 B10R1.23 CN(C)C(=O)c1cccs1 WXVL_AN0032SC0051 [0,1,0,0,0,0|1,1,0]=3 192 B10R1.23 CN(C)C(=O)c1ccno1 WXVL_AN0032SC0080 [0,1,0,0,0,0|2,0,0]=3 193 B10R1.23 CN(C)C(=O)c1ccno1 WXVL_AN0032SC0080 [0,1,0,0,0,0|2,0,0]=3 194 B10R1.23 CN(C)C(=O)c1ccns1 WXVL_AN0032SC0027 [0,1,0,0,0,0|2,1,0]=4 195 B10R1.23 CN(C)C(=O)c1ccns1 WXVL_AN0032SC0027 [0,1,0,0,0,0|2,1,0]=4 196 B10R1.23 CN(C)C(=O)c1ccoc1 WXVL_AN0032SC0050 [0,1,0,0,0,0|3,0,0]=4 197 B10R1.23 CN(C)C(=O)c1ccoc1 WXVL_AN0032SC0050 [0,1,0,0,0,0|3,0,0]=4 198 B10R1.23 CN(C)C(=O)c1ccon1 WXVL_AN0032SC0116 [0,1,0,0,0,0|3,0,0]=4 199 B10R1.23 CN(C)C(=O)c1ccon1 WXVL_AN0032SC0116 [0,1,0,0,0,0|3,0,0]=4 200 B10R1.23 CN(C)C(=O)c1ccsc1 WXVL_AN0032SC0054 [0,1,0,0,0,0|3,0,0]=4 201 B10R1.23 CN(C)C(=O)c1ccsc1 WXVL_AN0032SC0054 [0,1,0,0,0,0|3,0,0]=4 202 B10R1.23 CN(C)C(=O)c1ccsn1 WXVL_AN0032SC0764 [0,1,0,0,0,0|3,0,0]=4 203 B10R1.23 CN(C)C(=O)c1ccsn1 WXVL_AN0032SC0764 [0,1,0,0,0,0|3,0,0]=4 204 B10R1.23 CN(C)C(=O)c1cnc[nH]1 WXVL_AN0032SC0247 [0,1,0,0,0,0|3,0,0]=4 205 B10R1.23 CN(C)C(=O)c1cnc[nH]1 WXVL_AN0032SC0247 [0,1,0,0,0,0|3,0,0]=4 206 B10R1.23 CN(C)C(=O)c1cnco1 WXVL_AN0032SC0018 [0,1,0,0,0,0|2,0,0]=3 207 B10R1.23 CN(C)C(=O)c1cnco1 WXVL_AN0032SC0018 [0,1,0,0,0,0|2,0,0]=3 208 B10R1.23 CN(C)C(=O)c1cncs1 WXVL_AN0032SC0113 [0,1,0,0,0,0|2,1,0]=4 209 B10R1.23 CN(C)C(=O)c1cncs1 WXVL_AN0032SC0113 [0,1,0,0,0,0|2,1,0]=4 210 B10R1.23 CN(C)C(=O)c1cocn1 WXVL_AN0032SC0118 [0,1,0,0,0,0|3,0,0]=4 211 B10R1.23 CN(C)C(=O)c1cocn1 WXVL_AN0032SC0118 [0,1,0,0,0,0|3,0,0]=4 212 B10R1.23 CN(C)C(=O)c1cscn1 WXVL_AN0032SC0092 [0,1,0,0,0,0|3,0,0]=4 213 B10R1.23 CN(C)C(=O)c1cscn1 WXVL_AN0032SC0092 [0,1,0,0,0,0|3,0,0]=4 214 B10R1.23 CN(C)C(=O)c1nccs1 WXVL_AN0032SC0110 [0,1,0,0,0,0|2,1,0]=4 215 B10R1.23 CN(C)C(=O)c1nccs1 WXVL_AN0032SC0110 [0,1,0,0,0,0|2,1,0]=4 216 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [0,1,0,0,0,0|2,0,0]=3 217 B10R1.23 NC(=O)C(=O)c1ccco1 WXVL_AK0084SA0049 [0,1,0,0,0,0|2,0,0]=3 218 B10R1.149 CNC(=O)c1[nH]ccc1C WXVL_AK00442SC1315 [0,1,0,0,0,0|2,0,0]=3 219 B10R1.149 CNC(=O)c1[nH]ccc1C WXVL_AK00442SC1315 [0,1,0,0,0,0|2,0,0]=3 220 B10R1.149 CNC(=O)c1[nH]cnc1C WXVL_AK00442SC0269 [0,1,0,0,0,0|3,0,0]=4 221 B10R1.149 CNC(=O)c1[nH]cnc1C WXVL_AK00442SC0269 [0,1,0,0,0,0|3,0,0]=4 222 B10R1.149 CNC(=O)c1c[nH]cc1C WXVL_AK00442SC0251 [0,1,0,0,0,0|3,0,0]=4 223 B10R1.149 CNC(=O)c1c[nH]cc1C WXVL_AK00442SC0251 [0,1,0,0,0,0|3,0,0]=4 224 B10R1.149 CNC(=O)c1ccnn1C WXVL_AK00442SC0090 [0,1,0,0,0,0|3,0,0]=4 225 B10R1.149 CNC(=O)c1ccnn1C WXVL_AK00442SC0090 [0,1,0,0,0,0|3,0,0]=4 226 B10R1.149 CNC(=O)c1ccsc1C WXVL_AK00442SC1037 [0,1,0,0,0,0|3,0,0]=4 227 B10R1.149 CNC(=O)c1ccsc1C WXVL_AK00442SC1037 [0,1,0,0,0,0|3,0,0]=4 228 B10R1.149 CNC(=O)c1ccsc1Cl WXVL_AK00442SC0794 [0,1,0,0,0,0|3,0,0]=4 229 B10R1.149 CNC(=O)c1ccsc1Cl WXVL_AK00442SC0794 [0,1,0,0,0,0|3,0,0]=4 230 B10R1.149 CNC(=O)c1cncn1C WXVL_AK00442SC0099 [0,1,0,0,0,0|3,0,0]=4 231 B10R1.149 CNC(=O)c1cncn1C WXVL_AK00442SC0099 [0,1,0,0,0,0|3,0,0]=4 232 B10R1.149 CNC(=O)c1cscc1Br WXVL_AK00442SC1024 [0,1,0,0,0,0|3,0,0]=4 233 B10R1.149 CNC(=O)c1cscc1Br WXVL_AK00442SC1024 [0,1,0,0,0,0|3,0,0]=4 234 B10R1.149 CNC(=O)c1cscc1C WXVL_AK00442SC0257 [0,1,0,0,0,0|3,0,0]=4 235 B10R1.149 CNC(=O)c1cscc1C WXVL_AK00442SC0257 [0,1,0,0,0,0|3,0,0]=4 236 B10R1.149 CNC(=O)c1n[nH]cc1I WXVL_AK00442SC0442 [0,1,0,0,0,0|3,0,0]=4 237 B10R1.149 CNC(=O)c1n[nH]cc1I WXVL_AK00442SC0442 [0,1,0,0,0,0|3,0,0]=4 238 B10R1.149 CNC(=O)c1nccn1C WXVL_AK00442SC0106 [0,1,0,0,0,0|3,0,0]=4 239 B10R1.149 CNC(=O)c1nccn1C WXVL_AK00442SC0106 [0,1,0,0,0,0|3,0,0]=4 240 B10R1.149 CNC(=O)c1ncoc1C WXVL_AK00442SC0732 [0,1,0,0,0,0|3,0,0]=4 241 B10R1.149 CNC(=O)c1ncoc1C WXVL_AK00442SC0732 [0,1,0,0,0,0|3,0,0]=4 242 B10R1.149 CNC(=O)c1ncsc1Br WXVL_AK00442SC0192 [0,1,0,0,0,0|3,0,0]=4 243 B10R1.149 CNC(=O)c1ncsc1Br WXVL_AK00442SC0192 [0,1,0,0,0,0|3,0,0]=4 244 B10R1.149 CNC(=O)c1ncsc1C WXVL_AK00442SC0722 [0,1,0,0,0,0|3,0,0]=4 245 B10R1.149 CNC(=O)c1ncsc1C WXVL_AK00442SC0722 [0,1,0,0,0,0|3,0,0]=4 246 B10R1.149 CNC(=O)c1occc1Br WXVL_AK00442SC0241 [0,1,0,0,0,0|1,0,0]=2 247 B10R1.149 CNC(=O)c1occc1Br WXVL_AK00442SC0241 [0,1,0,0,0,0|1,0,0]=2 248 B10R1.149 CNC(=O)c1occc1C WXVL_AK00442SC0230 [0,1,0,0,0,0|1,0,0]=2 249 B10R1.149 CNC(=O)c1occc1C WXVL_AK00442SC0230 [0,1,0,0,0,0|1,0,0]=2 250 B10R1.149 CNC(=O)c1ocnc1C WXVL_AK00442SC0103 [0,1,0,0,0,0|2,0,0]=3 251 B10R1.149 CNC(=O)c1ocnc1C WXVL_AK00442SC0103 [0,1,0,0,0,0|2,0,0]=3 252 B10R1.149 CNC(=O)c1oncc1C WXVL_AK00442SC0912 [0,1,0,0,0,0|2,0,0]=3 253 B10R1.149 CNC(=O)c1oncc1C WXVL_AK00442SC0912 [0,1,0,0,0,0|2,0,0]=3 254 B10R1.149 CNC(=O)c1sccc1Br WXVL_AK00442SC0364 [0,1,0,0,0,0|1,1,0]=3 255 B10R1.149 CNC(=O)c1sccc1Br WXVL_AK00442SC0364 [0,1,0,0,0,0|1,1,0]=3 256 B10R1.149 CNC(=O)c1sccc1C WXVL_AK00442SC0052 [0,1,0,0,0,0|1,1,0]=3 257 B10R1.149 CNC(=O)c1sccc1C WXVL_AK00442SC0052 [0,1,0,0,0,0|1,1,0]=3 258 B10R1.149 CNC(=O)c1sccc1Cl WXVL_AK00442SC0756 [0,1,0,0,0,0|1,1,0]=3 259 B10R1.149 CNC(=O)c1sccc1Cl WXVL_AK00442SC0756 [0,1,0,0,0,0|1,1,0]=3 260 B10R1.149 CNC(=O)c1sccc1F WXVL_AK00442SC0017 [0,1,0,0,0,0|1,1,0]=3 261 B10R1.149 CNC(=O)c1sccc1F WXVL_AK00442SC0017 [0,1,0,0,0,0|1,1,0]=3 262 B10R1.149 CNC(=O)c1sccc1I WXVL_AK00442SC1579 [0,1,0,0,0,0|1,1,0]=3 263 B10R1.149 CNC(=O)c1sccc1I WXVL_AK00442SC1579 [0,1,0,0,0,0|1,1,0]=3 264 B10R1.149 CNC(=O)c1scnc1C WXVL_AK00442SC0093 [0,1,0,0,0,0|2,1,0]=4 265 B10R1.149 CNC(=O)c1scnc1C WXVL_AK00442SC0093 [0,1,0,0,0,0|2,1,0]=4 266 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,0,1,0,0,0|2,0,0]=3 267 B8R0.6 C/C=C/C=C/C(=O)NC WXVL_AK00442SB0348 [0,0,1,0,0,0|2,0,0]=3 268 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,0,0,0,0,1|1,0,2]=4 269 B10R1.15 CNC(=O)C1=CCCCO1 WXVL_AK00442SB4858 [0,0,0,0,0,1|1,0,2]=4 270 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,0,0,0,0,1|2,0,0]=3 271 B10R1.15 CNC(=O)c1ccccc1 WXVL_AK00442SD0001 [0,0,0,0,0,1|2,0,0]=3 272 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,0,0,0,0,1|2,0,0]=3 273 B10R1.15 CNC(=O)c1ccccn1 WXVL_AK00442SC0058 [0,0,0,0,0,1|2,0,0]=3 274 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [0,0,0,0,0,1|2,0,0]=3 275 B10R1.15 CNC(=O)c1cccnc1 WXVL_AK00442SC0061 [0,0,0,0,0,1|2,0,0]=3 276 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [0,0,0,0,0,1|2,0,0]=3 277 B10R1.15 CNC(=O)c1cccnn1 WXVL_AK00442SC0374 [0,0,0,0,0,1|2,0,0]=3 278 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [0,0,0,0,0,1|2,0,0]=3 279 B10R1.15 CNC(=O)c1ccncc1 WXVL_AK00442SC0062 [0,0,0,0,0,1|2,0,0]=3 280 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [0,0,0,0,0,1|2,0,0]=3 281 B10R1.15 CNC(=O)c1ccncn1 WXVL_AK00442SC0231 [0,0,0,0,0,1|2,0,0]=3 282 B10R1.15 CNC(=O)c1ccnnc1 WXVL_AK00442SC0064 [0,0,0,0,0,1|3,0,0]=4 283 B10R1.15 CNC(=O)c1ccnnc1 WXVL_AK00442SC0064 [0,0,0,0,0,1|3,0,0]=4 284 B10R1.15 CNC(=O)c1cncnc1 WXVL_AK00442SC0097 [0,0,0,0,0,1|3,0,0]=4 285 B10R1.15 CNC(=O)c1cncnc1 WXVL_AK00442SC0097 [0,0,0,0,0,1|3,0,0]=4 286 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [0,0,0,0,0,1|2,0,0]=3 287 B10R1.15 CNC(=O)c1ncccn1 WXVL_AK00442SC0096 [0,0,0,0,0,1|2,0,0]=3 288 B10R1.27 C#CC(=O)Nc1ccno1 WXVL_AF0588SB0338 [0,0,0,0,0,1|2,0,1]=4 289 B10R1.27 C#CC(=O)Nc1ccno1 WXVL_AF0588SB0338 [0,0,0,0,0,1|2,0,1]=4 290 B10R1.27 C#CC(=O)Nc1ncco1 WXVL_AF0235SB0338 [0,0,0,0,0,1|2,0,1]=4 291 B10R1.27 C#CC(=O)Nc1ncco1 WXVL_AF0235SB0338 [0,0,0,0,0,1|2,0,1]=4 292 B10R1.27 CCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0064 [0,0,0,0,0,1|3,0,0]=4 293 B10R1.27 CCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB0064 [0,0,0,0,0,1|3,0,0]=4 294 B10R1.27 CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0064 [0,0,0,0,0,1|3,0,0]=4 295 B10R1.27 CCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB0064 [0,0,0,0,0,1|3,0,0]=4 296 B10R1.27 CCC(=O)Nc1ccno1 WXVL_AF0588SB0064 [0,0,0,0,0,1|2,0,0]=3 297 B10R1.27 CCC(=O)Nc1ccno1 WXVL_AF0588SB0064 [0,0,0,0,0,1|2,0,0]=3 298 B10R1.27 CCC(=O)Nc1ccns1 WXVL_AF00325SB0064 [0,0,0,0,0,1|2,1,0]=4 299 B10R1.27 CCC(=O)Nc1ccns1 WXVL_AF00325SB0064 [0,0,0,0,0,1|2,1,0]=4 300 B10R1.27 CCC(=O)Nc1ccon1 WXVL_AF0028SB0064 [0,0,0,0,0,1|3,0,0]=4 301 B10R1.27 CCC(=O)Nc1ccon1 WXVL_AF0028SB0064 [0,0,0,0,0,1|3,0,0]=4 302 B10R1.27 CCC(=O)Nc1ccsc1 WXVL_AF00105SB0064 [0,0,0,0,0,1|3,0,0]=4 303 B10R1.27 CCC(=O)Nc1ccsc1 WXVL_AF00105SB0064 [0,0,0,0,0,1|3,0,0]=4 304 B10R1.27 CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0064 [0,0,0,0,0,1|3,0,0]=4 305 B10R1.27 CCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB0064 [0,0,0,0,0,1|3,0,0]=4 306 B10R1.27 CCC(=O)Nc1cncs1 WXVL_AF0724SB0064 [0,0,0,0,0,1|2,1,0]=4 307 B10R1.27 CCC(=O)Nc1cncs1 WXVL_AF0724SB0064 [0,0,0,0,0,1|2,1,0]=4 308 B10R1.27 CCC(=O)Nc1cscn1 WXVL_AF00216SB0064 [0,0,0,0,0,1|3,0,0]=4 309 B10R1.27 CCC(=O)Nc1cscn1 WXVL_AF00216SB0064 [0,0,0,0,0,1|3,0,0]=4 310 B10R1.27 CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0064 [0,0,0,0,0,1|3,0,0]=4 311 B10R1.27 CCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB0064 [0,0,0,0,0,1|3,0,0]=4 312 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [0,0,0,0,0,1|2,0,0]=3 313 B10R1.27 CCC(=O)Nc1ncco1 WXVL_AF0235SB0064 [0,0,0,0,0,1|2,0,0]=3 314 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,0,0,0,0,1|2,1,0]=4 315 B10R1.27 CCC(=O)Nc1nccs1 WXVL_AF0003SB0064 [0,0,0,0,0,1|2,1,0]=4 316 B10R1.27 CCC(=O)Nc1nnco1 WXVL_AF0087SB0064 [0,0,0,0,0,1|3,0,0]=4 317 B10R1.27 CCC(=O)Nc1nnco1 WXVL_AF0087SB0064 [0,0,0,0,0,1|3,0,0]=4 318 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [0,0,0,0,0,1|1,1,0]=3 319 B10R1.27 CNC(=O)Cc1cccs1 WXVL_AK00442SA0018 [0,0,0,0,0,1|1,1,0]=3 320 B10R1.27 CNC(=O)Cc1ccn[nH]1 WXVL_AK00442SA00008 [0,0,0,0,0,1|3,0,0]=4 321 B10R1.27 CNC(=O)Cc1ccn[nH]1 WXVL_AK00442SA00008 [0,0,0,0,0,1|3,0,0]=4 322 B10R1.27 CNC(=O)Cc1ccsc1 WXVL_AK00442SA0020 [0,0,0,0,0,1|3,0,0]=4 323 B10R1.27 CNC(=O)Cc1ccsc1 WXVL_AK00442SA0020 [0,0,0,0,0,1|3,0,0]=4 324 B10R1.27 CNC(=O)Cc1cscn1 WXVL_AK00442SA0012 [0,0,0,0,0,1|3,0,0]=4 325 B10R1.27 CNC(=O)Cc1cscn1 WXVL_AK00442SA0012 [0,0,0,0,0,1|3,0,0]=4 326 B10R1.27 CNC(=O)Cn1cccn1 WXVL_AK00442SA0030 [0,0,0,0,0,1|3,0,0]=4 327 B10R1.27 CNC(=O)Cn1cccn1 WXVL_AK00442SA0030 [0,0,0,0,0,1|3,0,0]=4 328 B10R1.27 O=C(CO)Nc1ccno1 WXVL_AF0588SB2706 [0,0,0,0,0,1|3,0,0]=4 329 B10R1.27 O=C(CO)Nc1ccno1 WXVL_AF0588SB2706 [0,0,0,0,0,1|3,0,0]=4 330 B10R1.27 O=C(CO)Nc1ncco1 WXVL_AF0235SB2706 [0,0,0,0,0,1|3,0,0]=4 331 B10R1.27 O=C(CO)Nc1ncco1 WXVL_AF0235SB2706 [0,0,0,0,0,1|3,0,0]=4 332 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,0,1,0,0,0|2,0,0]=4 333 B7R0.4 C/C=C/C=C/C(=O)N WXVL_AK0084SB0348 [1,0,1,0,0,0|2,0,0]=4 334 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,1,0,0,0|2,0,0]=4 335 B9R0.5 C/C=C/C=C/C(=O)NCC WXVL_AK00476SB0348 [0,1,1,0,0,0|2,0,0]=4 336 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,1,1,0,0,0|2,0,0]=4 337 B9R0.47 C/C=C/C=C/C(=O)N(C)C WXVL_AN0032SB0348 [0,1,1,0,0,0|2,0,0]=4 338 B9R1.35 Cc1c[nH]c(c1)C(=O)N WXVL_AK0084SC0830 [1,1,0,0,0,0|2,0,0]=4 339 B9R1.35 Cc1c[nH]c(c1)C(=O)N WXVL_AK0084SC0830 [1,1,0,0,0,0|2,0,0]=4 340 B9R1.35 Cc1cc(on1)C(=O)N WXVL_AK0084SC0089 [1,1,0,0,0,0|2,0,0]=4 341 B9R1.35 Cc1cc(on1)C(=O)N WXVL_AK0084SC0089 [1,1,0,0,0,0|2,0,0]=4 342 B9R1.35 Cc1ccc(o1)C(=O)N WXVL_AK0084SC0005 [1,1,0,0,0,0|1,0,0]=3 343 B9R1.35 Cc1ccc(o1)C(=O)N WXVL_AK0084SC0005 [1,1,0,0,0,0|1,0,0]=3 344 B9R1.35 Cc1ccc(s1)C(=O)N WXVL_AK0084SC0053 [1,1,0,0,0,0|1,1,0]=4 345 B9R1.35 Cc1ccc(s1)C(=O)N WXVL_AK0084SC0053 [1,1,0,0,0,0|1,1,0]=4 346 B9R1.35 Cc1csc(c1)C(=O)N WXVL_AK0084SC0004 [1,1,0,0,0,0|1,1,0]=4 347 B9R1.35 Cc1csc(c1)C(=O)N WXVL_AK0084SC0004 [1,1,0,0,0,0|1,1,0]=4 348 B9R1.35 NC(=O)c1cc(c[nH]1)Br WXVL_AK0084SC0644 [1,1,0,0,0,0|2,0,0]=4 349 B9R1.35 NC(=O)c1cc(c[nH]1)Br WXVL_AK0084SC0644 [1,1,0,0,0,0|2,0,0]=4 350 B9R1.35 NC(=O)c1cc(c[nH]1)F WXVL_AK0084SC0334 [1,1,0,0,0,0|2,0,0]=4 351 B9R1.35 NC(=O)c1cc(c[nH]1)F WXVL_AK0084SC0334 [1,1,0,0,0,0|2,0,0]=4 352 B9R1.35 NC(=O)c1cc(cs1)Br WXVL_AK0084SC0188 [1,1,0,0,0,0|1,1,0]=4 353 B9R1.35 NC(=O)c1cc(cs1)Br WXVL_AK0084SC0188 [1,1,0,0,0,0|1,1,0]=4 354 B9R1.35 NC(=O)c1cc(no1)O WXVL_AK0084SC0522 [1,1,0,0,0,0|2,0,0]=4 355 B9R1.35 NC(=O)c1cc(no1)O WXVL_AK0084SC0522 [1,1,0,0,0,0|2,0,0]=4 356 B9R1.35 NC(=O)c1ccc(o1)Cl WXVL_AK0084SC0926 [1,1,0,0,0,0|1,0,0]=3 357 B9R1.35 NC(=O)c1ccc(o1)Cl WXVL_AK0084SC0926 [1,1,0,0,0,0|1,0,0]=3 358 B9R1.35 NC(=O)c1ccc(s1)Br WXVL_AK0084SC0359 [1,1,0,0,0,0|1,1,0]=4 359 B9R1.35 NC(=O)c1ccc(s1)Br WXVL_AK0084SC0359 [1,1,0,0,0,0|1,1,0]=4 360 B9R1.35 NC(=O)c1ccc(s1)Cl WXVL_AK0084SC0067 [1,1,0,0,0,0|1,1,0]=4 361 B9R1.35 NC(=O)c1ccc(s1)Cl WXVL_AK0084SC0067 [1,1,0,0,0,0|1,1,0]=4 362 B9R1.35 NC(=O)c1cnc(o1)Br WXVL_AK0084SC0815 [1,1,0,0,0,0|2,0,0]=4 363 B9R1.35 NC(=O)c1cnc(o1)Br WXVL_AK0084SC0815 [1,1,0,0,0,0|2,0,0]=4 364 B9R1.41 Cc1cc[nH]c1C(=O)N WXVL_AK0084SC1315 [1,1,0,0,0,0|2,0,0]=4 365 B9R1.41 Cc1cc[nH]c1C(=O)N WXVL_AK0084SC1315 [1,1,0,0,0,0|2,0,0]=4 366 B9R1.41 Cc1ccoc1C(=O)N WXVL_AK0084SC0230 [1,1,0,0,0,0|1,0,0]=3 367 B9R1.41 Cc1ccoc1C(=O)N WXVL_AK0084SC0230 [1,1,0,0,0,0|1,0,0]=3 368 B9R1.41 Cc1ccsc1C(=O)N WXVL_AK0084SC0052 [1,1,0,0,0,0|1,1,0]=4 369 B9R1.41 Cc1ccsc1C(=O)N WXVL_AK0084SC0052 [1,1,0,0,0,0|1,1,0]=4 370 B9R1.41 Cc1cnoc1C(=O)N WXVL_AK0084SC0912 [1,1,0,0,0,0|2,0,0]=4 371 B9R1.41 Cc1cnoc1C(=O)N WXVL_AK0084SC0912 [1,1,0,0,0,0|2,0,0]=4 372 B9R1.41 Cc1ncoc1C(=O)N WXVL_AK0084SC0103 [1,1,0,0,0,0|2,0,0]=4 373 B9R1.41 Cc1ncoc1C(=O)N WXVL_AK0084SC0103 [1,1,0,0,0,0|2,0,0]=4 374 B9R1.41 NC(=O)c1occc1Br WXVL_AK0084SC0241 [1,1,0,0,0,0|1,0,0]=3 375 B9R1.41 NC(=O)c1occc1Br WXVL_AK0084SC0241 [1,1,0,0,0,0|1,0,0]=3 376 B9R1.41 NC(=O)c1sccc1Br WXVL_AK0084SC0364 [1,1,0,0,0,0|1,1,0]=4 377 B9R1.41 NC(=O)c1sccc1Br WXVL_AK0084SC0364 [1,1,0,0,0,0|1,1,0]=4 378 B9R1.41 NC(=O)c1sccc1Cl WXVL_AK0084SC0756 [1,1,0,0,0,0|1,1,0]=4 379 B9R1.41 NC(=O)c1sccc1Cl WXVL_AK0084SC0756 [1,1,0,0,0,0|1,1,0]=4 380 B9R1.41 NC(=O)c1sccc1F WXVL_AK0084SC0017 [1,1,0,0,0,0|1,1,0]=4 381 B9R1.41 NC(=O)c1sccc1F WXVL_AK0084SC0017 [1,1,0,0,0,0|1,1,0]=4 382 B9R1.41 NC(=O)c1sccc1I WXVL_AK0084SC1579 [1,1,0,0,0,0|1,1,0]=4 383 B9R1.41 NC(=O)c1sccc1I WXVL_AK0084SC1579 [1,1,0,0,0,0|1,1,0]=4 384 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,1|2,0,0]=4 385 B11R1.16 CCNC(=O)c1ccccc1 WXVL_AK00476SD0001 [0,1,0,0,0,1|2,0,0]=4 386 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,1,0,0,0,1|2,0,0]=4 387 B11R1.16 CCNC(=O)c1ccccn1 WXVL_AK00476SC0058 [0,1,0,0,0,1|2,0,0]=4 388 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,1,0,0,0,1|2,0,0]=4 389 B11R1.16 CCNC(=O)c1cccnc1 WXVL_AK00476SC0061 [0,1,0,0,0,1|2,0,0]=4 390 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,1,0,0,0,1|2,0,0]=4 391 B11R1.16 CCNC(=O)c1cccnn1 WXVL_AK00476SC0374 [0,1,0,0,0,1|2,0,0]=4 392 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,1,0,0,0,1|2,0,0]=4 393 B11R1.16 CCNC(=O)c1ccncc1 WXVL_AK00476SC0062 [0,1,0,0,0,1|2,0,0]=4 394 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,1,0,0,0,1|2,0,0]=4 395 B11R1.16 CCNC(=O)c1ccncn1 WXVL_AK00476SC0231 [0,1,0,0,0,1|2,0,0]=4 396 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,1,0,0,0,1|2,0,0]=4 397 B11R1.16 CCNC(=O)c1ncccn1 WXVL_AK00476SC0096 [0,1,0,0,0,1|2,0,0]=4 398 B11R1.22 CNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00442SC0858 [0,1,0,0,0,1|2,0,0]=4 399 B11R1.22 CNC(=O)c1cc[n+](cc1)[O-] WXVL_AK00442SC0858 [0,1,0,0,0,1|2,0,0]=4 400 B11R1.22 CNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00442SC2212 [0,1,0,0,0,1|2,0,0]=4 401 B11R1.22 CNC(=O)c1ccc(=O)[nH]c1 WXVL_AK00442SC2212 [0,1,0,0,0,1|2,0,0]=4 402 B11R1.22 CNC(=O)c1ccc(=O)oc1 WXVL_AK00442SC0132 [0,1,0,0,0,1|1,0,0]=3 403 B11R1.22 CNC(=O)c1ccc(=O)oc1 WXVL_AK00442SC0132 [0,1,0,0,0,1|1,0,0]=3 404 B11R1.22 CNC(=O)c1ccc(cc1)Br WXVL_AK00442SD0060 [0,1,0,0,0,1|2,0,0]=4 405 B11R1.22 CNC(=O)c1ccc(cc1)Br WXVL_AK00442SD0060 [0,1,0,0,0,1|2,0,0]=4 406 B11R1.22 CNC(=O)c1ccc(cc1)C WXVL_AK00442SD0078 [0,1,0,0,0,1|2,0,0]=4 407 B11R1.22 CNC(=O)c1ccc(cc1)C WXVL_AK00442SD0078 [0,1,0,0,0,1|2,0,0]=4 408 B11R1.22 CNC(=O)c1ccc(cc1)Cl WXVL_AK00442SD0062 [0,1,0,0,0,1|2,0,0]=4 409 B11R1.22 CNC(=O)c1ccc(cc1)Cl WXVL_AK00442SD0062 [0,1,0,0,0,1|2,0,0]=4 410 B11R1.22 CNC(=O)c1ccc(cc1)F WXVL_AK00442SD0061 [0,1,0,0,0,1|2,0,0]=4 411 B11R1.22 CNC(=O)c1ccc(cc1)F WXVL_AK00442SD0061 [0,1,0,0,0,1|2,0,0]=4 412 B11R1.22 CNC(=O)c1ccc(cc1)I WXVL_AK00442SD0421 [0,1,0,0,0,1|2,0,0]=4 413 B11R1.22 CNC(=O)c1ccc(cc1)I WXVL_AK00442SD0421 [0,1,0,0,0,1|2,0,0]=4 414 B11R1.22 CNC(=O)c1ccc(cc1)O WXVL_AK00442SD0069 [0,1,0,0,0,1|2,0,0]=4 415 B11R1.22 CNC(=O)c1ccc(cc1)O WXVL_AK00442SD0069 [0,1,0,0,0,1|2,0,0]=4 416 B11R1.22 CNC(=O)c1ccc(cc1)S WXVL_AK00442SD0154 [0,1,0,0,0,1|2,0,0]=4 417 B11R1.22 CNC(=O)c1ccc(cc1)S WXVL_AK00442SD0154 [0,1,0,0,0,1|2,0,0]=4 418 B11R1.22 CNC(=O)c1ccc(cn1)Br WXVL_AK00442SC0363 [0,1,0,0,0,1|2,0,0]=4 419 B11R1.22 CNC(=O)c1ccc(cn1)Br WXVL_AK00442SC0363 [0,1,0,0,0,1|2,0,0]=4 420 B11R1.22 CNC(=O)c1ccc(cn1)C WXVL_AK00442SC0104 [0,1,0,0,0,1|2,0,0]=4 421 B11R1.22 CNC(=O)c1ccc(cn1)C WXVL_AK00442SC0104 [0,1,0,0,0,1|2,0,0]=4 422 B11R1.22 CNC(=O)c1ccc(cn1)Cl WXVL_AK00442SC0381 [0,1,0,0,0,1|2,0,0]=4 423 B11R1.22 CNC(=O)c1ccc(cn1)Cl WXVL_AK00442SC0381 [0,1,0,0,0,1|2,0,0]=4 424 B11R1.22 CNC(=O)c1ccc(cn1)F WXVL_AK00442SC0114 [0,1,0,0,0,1|2,0,0]=4 425 B11R1.22 CNC(=O)c1ccc(cn1)F WXVL_AK00442SC0114 [0,1,0,0,0,1|2,0,0]=4 426 B11R1.22 CNC(=O)c1ccc(cn1)O WXVL_AK00442SC0130 [0,1,0,0,0,1|2,0,0]=4 427 B11R1.22 CNC(=O)c1ccc(cn1)O WXVL_AK00442SC0130 [0,1,0,0,0,1|2,0,0]=4 428 B11R1.22 CNC(=O)c1ccc(nc1)Br WXVL_AK00442SC0352 [0,1,0,0,0,1|2,0,0]=4 429 B11R1.22 CNC(=O)c1ccc(nc1)Br WXVL_AK00442SC0352 [0,1,0,0,0,1|2,0,0]=4 430 B11R1.22 CNC(=O)c1ccc(nc1)C WXVL_AK00442SC0060 [0,1,0,0,0,1|2,0,0]=4 431 B11R1.22 CNC(=O)c1ccc(nc1)C WXVL_AK00442SC0060 [0,1,0,0,0,1|2,0,0]=4 432 B11R1.22 CNC(=O)c1ccc(nc1)Cl WXVL_AK00442SC0147 [0,1,0,0,0,1|2,0,0]=4 433 B11R1.22 CNC(=O)c1ccc(nc1)Cl WXVL_AK00442SC0147 [0,1,0,0,0,1|2,0,0]=4 434 B11R1.22 CNC(=O)c1ccc(nc1)F WXVL_AK00442SC0370 [0,1,0,0,0,1|2,0,0]=4 435 B11R1.22 CNC(=O)c1ccc(nc1)F WXVL_AK00442SC0370 [0,1,0,0,0,1|2,0,0]=4 436 B11R1.22 CNC(=O)c1ccc(nc1)O WXVL_AK00442SC0057 [0,1,0,0,0,1|2,0,0]=4 437 B11R1.22 CNC(=O)c1ccc(nc1)O WXVL_AK00442SC0057 [0,1,0,0,0,1|2,0,0]=4 438 B11R1.22 CNC(=O)c1cnc(cn1)C WXVL_AK00442SC0072 [0,1,0,0,0,1|2,0,0]=4 439 B11R1.22 CNC(=O)c1cnc(cn1)C WXVL_AK00442SC0072 [0,1,0,0,0,1|2,0,0]=4 440 B11R1.22 CNC(=O)c1cnc(cn1)Cl WXVL_AK00442SC0383 [0,1,0,0,0,1|2,0,0]=4 441 B11R1.22 CNC(=O)c1cnc(cn1)Cl WXVL_AK00442SC0383 [0,1,0,0,0,1|2,0,0]=4 442 B11R1.22 CNC(=O)c1ncc(cn1)Cl WXVL_AK00442SC0029 [0,1,0,0,0,1|2,0,0]=4 443 B11R1.22 CNC(=O)c1ncc(cn1)Cl WXVL_AK00442SC0029 [0,1,0,0,0,1|2,0,0]=4 444 B11R1.23 CNC(=O)C1=CC=NC(=O)C1 WXVL_AK00442SC0016 [0,1,0,0,0,1|2,0,0]=4 445 B11R1.23 CNC(=O)C1=CC=NC(=O)C1 WXVL_AK00442SC0016 [0,1,0,0,0,1|2,0,0]=4 446 B11R1.23 CNC(=O)c1cc(=O)cco1 WXVL_AK00442SC0133 [0,1,0,0,0,1|1,0,0]=3 447 B11R1.23 CNC(=O)c1cc(=O)cco1 WXVL_AK00442SC0133 [0,1,0,0,0,1|1,0,0]=3 448 B11R1.23 CNC(=O)c1cc(ccn1)Br WXVL_AK00442SC0243 [0,1,0,0,0,1|2,0,0]=4 449 B11R1.23 CNC(=O)c1cc(ccn1)Br WXVL_AK00442SC0243 [0,1,0,0,0,1|2,0,0]=4 450 B11R1.23 CNC(=O)c1cc(ccn1)C WXVL_AK00442SC0235 [0,1,0,0,0,1|2,0,0]=4 451 B11R1.23 CNC(=O)c1cc(ccn1)C WXVL_AK00442SC0235 [0,1,0,0,0,1|2,0,0]=4 452 B11R1.23 CNC(=O)c1cc(ccn1)Cl WXVL_AK00442SC0373 [0,1,0,0,0,1|2,0,0]=4 453 B11R1.23 CNC(=O)c1cc(ccn1)Cl WXVL_AK00442SC0373 [0,1,0,0,0,1|2,0,0]=4 454 B11R1.23 CNC(=O)c1cc(ncn1)Cl WXVL_AK00442SC0775 [0,1,0,0,0,1|2,0,0]=4 455 B11R1.23 CNC(=O)c1cc(ncn1)Cl WXVL_AK00442SC0775 [0,1,0,0,0,1|2,0,0]=4 456 B11R1.23 CNC(=O)c1cc(ncn1)O WXVL_AK00442SC0001 [0,1,0,0,0,1|2,0,0]=4 457 B11R1.23 CNC(=O)c1cc(ncn1)O WXVL_AK00442SC0001 [0,1,0,0,0,1|2,0,0]=4 458 B11R1.23 CNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00442SC1039 [0,1,0,0,0,1|2,0,0]=4 459 B11R1.23 CNC(=O)c1ccc[n+](c1)[O-] WXVL_AK00442SC1039 [0,1,0,0,0,1|2,0,0]=4 460 B11R1.23 CNC(=O)c1cccc(c1)Br WXVL_AK00442SD0041 [0,1,0,0,0,1|2,0,0]=4 461 B11R1.23 CNC(=O)c1cccc(c1)Br WXVL_AK00442SD0041 [0,1,0,0,0,1|2,0,0]=4 462 B11R1.23 CNC(=O)c1cccc(c1)C WXVL_AK00442SD0056 [0,1,0,0,0,1|2,0,0]=4 463 B11R1.23 CNC(=O)c1cccc(c1)C WXVL_AK00442SD0056 [0,1,0,0,0,1|2,0,0]=4 464 B11R1.23 CNC(=O)c1cccc(c1)Cl WXVL_AK00442SD0045 [0,1,0,0,0,1|2,0,0]=4 465 B11R1.23 CNC(=O)c1cccc(c1)Cl WXVL_AK00442SD0045 [0,1,0,0,0,1|2,0,0]=4 466 B11R1.23 CNC(=O)c1cccc(c1)F WXVL_AK00442SD0043 [0,1,0,0,0,1|2,0,0]=4 467 B11R1.23 CNC(=O)c1cccc(c1)F WXVL_AK00442SD0043 [0,1,0,0,0,1|2,0,0]=4 468 B11R1.23 CNC(=O)c1cccc(c1)I WXVL_AK00442SD0405 [0,1,0,0,0,1|2,0,0]=4 469 B11R1.23 CNC(=O)c1cccc(c1)I WXVL_AK00442SD0405 [0,1,0,0,0,1|2,0,0]=4 470 B11R1.23 CNC(=O)c1cccc(c1)O WXVL_AK00442SD1724 [0,1,0,0,0,1|2,0,0]=4 471 B11R1.23 CNC(=O)c1cccc(c1)O WXVL_AK00442SD1724 [0,1,0,0,0,1|2,0,0]=4 472 B11R1.23 CNC(=O)c1cccc(n1)Br WXVL_AK00442SC0366 [0,1,0,0,0,1|2,0,0]=4 473 B11R1.23 CNC(=O)c1cccc(n1)Br WXVL_AK00442SC0366 [0,1,0,0,0,1|2,0,0]=4 474 B11R1.23 CNC(=O)c1cccc(n1)F WXVL_AK00442SC0386 [0,1,0,0,0,1|2,0,0]=4 475 B11R1.23 CNC(=O)c1cccc(n1)F WXVL_AK00442SC0386 [0,1,0,0,0,1|2,0,0]=4 476 B11R1.23 CNC(=O)c1cccc(n1)O WXVL_AK00442SC0084 [0,1,0,0,0,1|2,0,0]=4 477 B11R1.23 CNC(=O)c1cccc(n1)O WXVL_AK00442SC0084 [0,1,0,0,0,1|2,0,0]=4 478 B11R1.23 CNC(=O)c1ccnc(c1)Br WXVL_AK00442SC0349 [0,1,0,0,0,1|2,0,0]=4 479 B11R1.23 CNC(=O)c1ccnc(c1)Br WXVL_AK00442SC0349 [0,1,0,0,0,1|2,0,0]=4 480 B11R1.23 CNC(=O)c1ccnc(c1)C WXVL_AK00442SC0400 [0,1,0,0,0,1|2,0,0]=4 481 B11R1.23 CNC(=O)c1ccnc(c1)C WXVL_AK00442SC0400 [0,1,0,0,0,1|2,0,0]=4 482 B11R1.23 CNC(=O)c1ccnc(c1)Cl WXVL_AK00442SC0083 [0,1,0,0,0,1|2,0,0]=4 483 B11R1.23 CNC(=O)c1ccnc(c1)Cl WXVL_AK00442SC0083 [0,1,0,0,0,1|2,0,0]=4 484 B11R1.23 CNC(=O)c1ccnc(c1)F WXVL_AK00442SC0015 [0,1,0,0,0,1|2,0,0]=4 485 B11R1.23 CNC(=O)c1ccnc(c1)F WXVL_AK00442SC0015 [0,1,0,0,0,1|2,0,0]=4 486 B11R1.23 CNC(=O)c1ccnc(c1)O WXVL_AK00442SC0131 [0,1,0,0,0,1|2,0,0]=4 487 B11R1.23 CNC(=O)c1ccnc(c1)O WXVL_AK00442SC0131 [0,1,0,0,0,1|2,0,0]=4 488 B11R1.23 CNC(=O)c1ccnc(n1)C WXVL_AK00442SC0296 [0,1,0,0,0,1|2,0,0]=4 489 B11R1.23 CNC(=O)c1ccnc(n1)C WXVL_AK00442SC0296 [0,1,0,0,0,1|2,0,0]=4 490 B11R1.23 CNC(=O)c1ccnc(n1)Cl WXVL_AK00442SC0392 [0,1,0,0,0,1|2,0,0]=4 491 B11R1.23 CNC(=O)c1ccnc(n1)Cl WXVL_AK00442SC0392 [0,1,0,0,0,1|2,0,0]=4 492 B11R1.23 CNC(=O)c1cncc(c1)Br WXVL_AK00442SC0369 [0,1,0,0,0,1|2,0,0]=4 493 B11R1.23 CNC(=O)c1cncc(c1)Br WXVL_AK00442SC0369 [0,1,0,0,0,1|2,0,0]=4 494 B11R1.23 CNC(=O)c1cncc(c1)C WXVL_AK00442SC0095 [0,1,0,0,0,1|2,0,0]=4 495 B11R1.23 CNC(=O)c1cncc(c1)C WXVL_AK00442SC0095 [0,1,0,0,0,1|2,0,0]=4 496 B11R1.23 CNC(=O)c1cncc(c1)Cl WXVL_AK00442SC0291 [0,1,0,0,0,1|2,0,0]=4 497 B11R1.23 CNC(=O)c1cncc(c1)Cl WXVL_AK00442SC0291 [0,1,0,0,0,1|2,0,0]=4 498 B11R1.23 CNC(=O)c1cncc(c1)F WXVL_AK00442SC0102 [0,1,0,0,0,1|2,0,0]=4 499 B11R1.23 CNC(=O)c1cncc(c1)F WXVL_AK00442SC0102 [0,1,0,0,0,1|2,0,0]=4 500 B11R1.23 CNC(=O)c1cncc(c1)O WXVL_AK00442SC0333 [0,1,0,0,0,1|2,0,0]=4 501 B11R1.23 CNC(=O)c1cncc(c1)O WXVL_AK00442SC0333 [0,1,0,0,0,1|2,0,0]=4 502 B11R1.23 CNC(=O)c1cncc(n1)C WXVL_AK00442SC0391 [0,1,0,0,0,1|2,0,0]=4 503 B11R1.23 CNC(=O)c1cncc(n1)C WXVL_AK00442SC0391 [0,1,0,0,0,1|2,0,0]=4 504 B11R1.36 CN(C)C(=O)c1ccccc1 WXVL_AN0032SD0001 [0,1,0,0,0,1|2,0,0]=4 505 B11R1.36 CN(C)C(=O)c1ccccc1 WXVL_AN0032SD0001 [0,1,0,0,0,1|2,0,0]=4 506 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [0,1,0,0,0,1|2,0,0]=4 507 B11R1.36 CN(C)C(=O)c1ccccn1 WXVL_AN0032SC0058 [0,1,0,0,0,1|2,0,0]=4 508 B11R1.36 CN(C)C(=O)c1cccnc1 WXVL_AN0032SC0061 [0,1,0,0,0,1|2,0,0]=4 509 B11R1.36 CN(C)C(=O)c1cccnc1 WXVL_AN0032SC0061 [0,1,0,0,0,1|2,0,0]=4 510 B11R1.36 CN(C)C(=O)c1cccnn1 WXVL_AN0032SC0374 [0,1,0,0,0,1|2,0,0]=4 511 B11R1.36 CN(C)C(=O)c1cccnn1 WXVL_AN0032SC0374 [0,1,0,0,0,1|2,0,0]=4 512 B11R1.36 CN(C)C(=O)c1ccncc1 WXVL_AN0032SC0062 [0,1,0,0,0,1|2,0,0]=4 513 B11R1.36 CN(C)C(=O)c1ccncc1 WXVL_AN0032SC0062 [0,1,0,0,0,1|2,0,0]=4 514 B11R1.36 CN(C)C(=O)c1ccncn1 WXVL_AN0032SC0231 [0,1,0,0,0,1|2,0,0]=4 515 B11R1.36 CN(C)C(=O)c1ccncn1 WXVL_AN0032SC0231 [0,1,0,0,0,1|2,0,0]=4 516 B11R1.36 CN(C)C(=O)c1ncccn1 WXVL_AN0032SC0096 [0,1,0,0,0,1|2,0,0]=4 517 B11R1.36 CN(C)C(=O)c1ncccn1 WXVL_AN0032SC0096 [0,1,0,0,0,1|2,0,0]=4 518 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,1,0,0,0,1|2,0,0]=4 519 B11R1.222 CNC(=O)c1ccccc1Br WXVL_AK00442SD0002 [0,1,0,0,0,1|2,0,0]=4 520 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,1,0,0,0,1|2,0,0]=4 521 B11R1.222 CNC(=O)c1ccccc1C WXVL_AK00442SD0037 [0,1,0,0,0,1|2,0,0]=4 522 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [0,1,0,0,0,1|2,0,0]=4 523 B11R1.222 CNC(=O)c1ccccc1Cl WXVL_AK00442SD0006 [0,1,0,0,0,1|2,0,0]=4 524 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [0,1,0,0,0,1|2,0,0]=4 525 B11R1.222 CNC(=O)c1ccccc1F WXVL_AK00442SD0003 [0,1,0,0,0,1|2,0,0]=4 526 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [0,1,0,0,0,1|2,0,0]=4 527 B11R1.222 CNC(=O)c1ccccc1I WXVL_AK00442SD0303 [0,1,0,0,0,1|2,0,0]=4 528 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [0,1,0,0,0,1|2,0,0]=4 529 B11R1.222 CNC(=O)c1ccccc1O WXVL_AK00442SD00056 [0,1,0,0,0,1|2,0,0]=4 530 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [0,1,0,0,0,1|2,0,0]=4 531 B11R1.222 CNC(=O)c1ccccc1S WXVL_AK00442SD0153 [0,1,0,0,0,1|2,0,0]=4 532 B11R1.222 CNC(=O)c1cccnc1Br WXVL_AK00442SC0367 [0,1,0,0,0,1|2,0,0]=4 533 B11R1.222 CNC(=O)c1cccnc1Br WXVL_AK00442SC0367 [0,1,0,0,0,1|2,0,0]=4 534 B11R1.222 CNC(=O)c1cccnc1C WXVL_AK00442SC0065 [0,1,0,0,0,1|2,0,0]=4 535 B11R1.222 CNC(=O)c1cccnc1C WXVL_AK00442SC0065 [0,1,0,0,0,1|2,0,0]=4 536 B11R1.222 CNC(=O)c1cccnc1Cl WXVL_AK00442SC0146 [0,1,0,0,0,1|2,0,0]=4 537 B11R1.222 CNC(=O)c1cccnc1Cl WXVL_AK00442SC0146 [0,1,0,0,0,1|2,0,0]=4 538 B11R1.222 CNC(=O)c1cccnc1F WXVL_AK00442SC0350 [0,1,0,0,0,1|2,0,0]=4 539 B11R1.222 CNC(=O)c1cccnc1F WXVL_AK00442SC0350 [0,1,0,0,0,1|2,0,0]=4 540 B11R1.222 CNC(=O)c1cccnc1O WXVL_AK00442SC0063 [0,1,0,0,0,1|2,0,0]=4 541 B11R1.222 CNC(=O)c1cccnc1O WXVL_AK00442SC0063 [0,1,0,0,0,1|2,0,0]=4 542 B11R1.222 CNC(=O)c1ccncc1Br WXVL_AK00442SC0365 [0,1,0,0,0,1|2,0,0]=4 543 B11R1.222 CNC(=O)c1ccncc1Br WXVL_AK00442SC0365 [0,1,0,0,0,1|2,0,0]=4 544 B11R1.222 CNC(=O)c1ccncc1Cl WXVL_AK00442SC0375 [0,1,0,0,0,1|2,0,0]=4 545 B11R1.222 CNC(=O)c1ccncc1Cl WXVL_AK00442SC0375 [0,1,0,0,0,1|2,0,0]=4 546 B11R1.222 CNC(=O)c1ccncc1F WXVL_AK00442SC0320 [0,1,0,0,0,1|2,0,0]=4 547 B11R1.222 CNC(=O)c1ccncc1F WXVL_AK00442SC0320 [0,1,0,0,0,1|2,0,0]=4 548 B11R1.222 CNC(=O)c1ccncc1O WXVL_AK00442SC0354 [0,1,0,0,0,1|2,0,0]=4 549 B11R1.222 CNC(=O)c1ccncc1O WXVL_AK00442SC0354 [0,1,0,0,0,1|2,0,0]=4 550 B11R1.222 CNC(=O)c1cnccc1Br WXVL_AK00442SC0500 [0,1,0,0,0,1|2,0,0]=4 551 B11R1.222 CNC(=O)c1cnccc1Br WXVL_AK00442SC0500 [0,1,0,0,0,1|2,0,0]=4 552 B11R1.222 CNC(=O)c1cnccc1C WXVL_AK00442SC0301 [0,1,0,0,0,1|2,0,0]=4 553 B11R1.222 CNC(=O)c1cnccc1C WXVL_AK00442SC0301 [0,1,0,0,0,1|2,0,0]=4 554 B11R1.222 CNC(=O)c1cnccc1Cl WXVL_AK00442SC0340 [0,1,0,0,0,1|2,0,0]=4 555 B11R1.222 CNC(=O)c1cnccc1Cl WXVL_AK00442SC0340 [0,1,0,0,0,1|2,0,0]=4 556 B11R1.222 CNC(=O)c1ncccc1Br WXVL_AK00442SC0501 [0,1,0,0,0,1|2,0,0]=4 557 B11R1.222 CNC(=O)c1ncccc1Br WXVL_AK00442SC0501 [0,1,0,0,0,1|2,0,0]=4 558 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [0,1,0,0,0,1|2,0,0]=4 559 B11R1.222 CNC(=O)c1ncccc1C WXVL_AK00442SC0008 [0,1,0,0,0,1|2,0,0]=4 560 B11R1.222 CNC(=O)c1ncccc1Cl WXVL_AK00442SC0609 [0,1,0,0,0,1|2,0,0]=4 561 B11R1.222 CNC(=O)c1ncccc1Cl WXVL_AK00442SC0609 [0,1,0,0,0,1|2,0,0]=4 562 B11R1.222 CNC(=O)c1ncccc1F WXVL_AK00442SC0773 [0,1,0,0,0,1|2,0,0]=4 563 B11R1.222 CNC(=O)c1ncccc1F WXVL_AK00442SC0773 [0,1,0,0,0,1|2,0,0]=4 564 B11R1.222 CNC(=O)c1nccnc1Br WXVL_AK00442SC0785 [0,1,0,0,0,1|2,0,0]=4 565 B11R1.222 CNC(=O)c1nccnc1Br WXVL_AK00442SC0785 [0,1,0,0,0,1|2,0,0]=4 566 B11R1.222 CNC(=O)c1nccnc1Cl WXVL_AK00442SC0361 [0,1,0,0,0,1|2,0,0]=4 567 B11R1.222 CNC(=O)c1nccnc1Cl WXVL_AK00442SC0361 [0,1,0,0,0,1|2,0,0]=4 568 B11R1.30 C/C=C/C(=O)Nc1ccno1 WXVL_AF0588SB0340 [0,1,0,0,0,1|2,0,0]=4 569 B11R1.30 C/C=C/C(=O)Nc1ccno1 WXVL_AF0588SB0340 [0,1,0,0,0,1|2,0,0]=4 570 B11R1.30 C/C=C/C(=O)Nc1ncco1 WXVL_AF0235SB0340 [0,1,0,0,0,1|2,0,0]=4 571 B11R1.30 C/C=C/C(=O)Nc1ncco1 WXVL_AF0235SB0340 [0,1,0,0,0,1|2,0,0]=4 572 B11R1.30 CC#CC(=O)Nc1ccno1 WXVL_AF0588SB1240 [0,1,0,0,0,1|2,0,0]=4 573 B11R1.30 CC#CC(=O)Nc1ccno1 WXVL_AF0588SB1240 [0,1,0,0,0,1|2,0,0]=4 574 B11R1.30 CC#CC(=O)Nc1ncco1 WXVL_AF0235SB1240 [0,1,0,0,0,1|2,0,0]=4 575 B11R1.30 CC#CC(=O)Nc1ncco1 WXVL_AF0235SB1240 [0,1,0,0,0,1|2,0,0]=4 576 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,1,0,0,0,1|2,0,0]=4 577 B11R1.30 CCCC(=O)Nc1ccno1 WXVL_AF0588SB0073 [0,1,0,0,0,1|2,0,0]=4 578 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,1,0,0,0,1|2,0,0]=4 579 B11R1.30 CCCC(=O)Nc1ncco1 WXVL_AF0235SB0073 [0,1,0,0,0,1|2,0,0]=4 580 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,1,0,0,0,1|1,1,0]=4 581 B11R1.30 CCNC(=O)Cc1cccs1 WXVL_AK00476SA0018 [0,1,0,0,0,1|1,1,0]=4 582 B11R1.30 COCC(=O)Nc1ccno1 WXVL_AF0588SB0090 [0,1,0,0,0,1|1,1,0]=4 583 B11R1.30 COCC(=O)Nc1ccno1 WXVL_AF0588SB0090 [0,1,0,0,0,1|1,1,0]=4 584 B11R1.30 COCC(=O)Nc1ncco1 WXVL_AF0235SB0090 [0,1,0,0,0,1|1,1,0]=4 585 B11R1.30 COCC(=O)Nc1ncco1 WXVL_AF0235SB0090 [0,1,0,0,0,1|1,1,0]=4 586 B11R1.30 CSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB1267 [0,1,0,0,0,1|2,0,0]=4 587 B11R1.30 CSCC(=O)Nc1cc[nH]n1 WXVL_AF2373SB1267 [0,1,0,0,0,1|2,0,0]=4 588 B11R1.30 CSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB1267 [0,1,0,0,0,1|2,0,0]=4 589 B11R1.30 CSCC(=O)Nc1ccn[nH]1 WXVL_AF0122SB1267 [0,1,0,0,0,1|2,0,0]=4 590 B11R1.30 CSCC(=O)Nc1ccno1 WXVL_AF0588SB1267 [0,1,0,0,0,1|1,0,0]=3 591 B11R1.30 CSCC(=O)Nc1ccno1 WXVL_AF0588SB1267 [0,1,0,0,0,1|1,0,0]=3 592 B11R1.30 CSCC(=O)Nc1ccns1 WXVL_AF00325SB1267 [0,1,0,0,0,1|1,1,0]=4 593 B11R1.30 CSCC(=O)Nc1ccns1 WXVL_AF00325SB1267 [0,1,0,0,0,1|1,1,0]=4 594 B11R1.30 CSCC(=O)Nc1ccon1 WXVL_AF0028SB1267 [0,1,0,0,0,1|2,0,0]=4 595 B11R1.30 CSCC(=O)Nc1ccon1 WXVL_AF0028SB1267 [0,1,0,0,0,1|2,0,0]=4 596 B11R1.30 CSCC(=O)Nc1ccsc1 WXVL_AF00105SB1267 [0,1,0,0,0,1|2,0,0]=4 597 B11R1.30 CSCC(=O)Nc1ccsc1 WXVL_AF00105SB1267 [0,1,0,0,0,1|2,0,0]=4 598 B11R1.30 CSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB1267 [0,1,0,0,0,1|2,0,0]=4 599 B11R1.30 CSCC(=O)Nc1cnc[nH]1 WXVL_AF00103SB1267 [0,1,0,0,0,1|2,0,0]=4 600 B11R1.30 CSCC(=O)Nc1cncs1 WXVL_AF0724SB1267 [0,1,0,0,0,1|1,1,0]=4 601 B11R1.30 CSCC(=O)Nc1cncs1 WXVL_AF0724SB1267 [0,1,0,0,0,1|1,1,0]=4 602 B11R1.30 CSCC(=O)Nc1cscn1 WXVL_AF00216SB1267 [0,1,0,0,0,1|2,0,0]=4 603 B11R1.30 CSCC(=O)Nc1cscn1 WXVL_AF00216SB1267 [0,1,0,0,0,1|2,0,0]=4 604 B11R1.30 CSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB1267 [0,1,0,0,0,1|2,0,0]=4 605 B11R1.30 CSCC(=O)Nc1ncc[nH]1 WXVL_AF0297SB1267 [0,1,0,0,0,1|2,0,0]=4 606 B11R1.30 CSCC(=O)Nc1ncco1 WXVL_AF0235SB1267 [0,1,0,0,0,1|1,0,0]=3 607 B11R1.30 CSCC(=O)Nc1ncco1 WXVL_AF0235SB1267 [0,1,0,0,0,1|1,0,0]=3 608 B11R1.30 CSCC(=O)Nc1nccs1 WXVL_AF0003SB1267 [0,1,0,0,0,1|1,1,0]=4 609 B11R1.30 CSCC(=O)Nc1nccs1 WXVL_AF0003SB1267 [0,1,0,0,0,1|1,1,0]=4 610 B11R1.30 CSCC(=O)Nc1nnco1 WXVL_AF0087SB1267 [0,1,0,0,0,1|2,0,0]=4 611 B11R1.30 CSCC(=O)Nc1nnco1 WXVL_AF0087SB1267 [0,1,0,0,0,1|2,0,0]=4 612 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [0,1,0,0,0,1|1,0,0]=3 613 B11R1.31 CNC(=O)C(=O)c1ccco1 WXVL_AK00442SA0049 [0,1,0,0,0,1|1,0,0]=3 614 B11R1.31 CNC(=O)C(C)c1cccs1 WXVL_AK00442SA1203 [0,1,0,0,0,1|1,1,0]=4 615 B11R1.31 CNC(=O)C(C)c1cccs1 WXVL_AK00442SA1203 [0,1,0,0,0,1|1,1,0]=4 616 B11R1.35 CC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0051 [0,1,0,0,0,1|2,0,0]=4 617 B11R1.35 CC(=O)C(=O)Nc1ccno1 WXVL_AF0588SB0051 [0,1,0,0,0,1|2,0,0]=4 618 B11R1.35 CC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0051 [0,1,0,0,0,1|2,0,0]=4 619 B11R1.35 CC(=O)C(=O)Nc1ncco1 WXVL_AF0235SB0051 [0,1,0,0,0,1|2,0,0]=4 620 B11R1.35 CC(C)C(=O)Nc1ccno1 WXVL_AF0588SB0052 [0,1,0,0,0,1|2,0,0]=4 621 B11R1.35 CC(C)C(=O)Nc1ccno1 WXVL_AF0588SB0052 [0,1,0,0,0,1|2,0,0]=4 622 B11R1.35 CC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0052 [0,1,0,0,0,1|2,0,0]=4 623 B11R1.35 CC(C)C(=O)Nc1ncco1 WXVL_AF0235SB0052 [0,1,0,0,0,1|2,0,0]=4 624 B11R1.35 CC(S)C(=O)Nc1ccno1 WXVL_AF0588SB2708 [0,1,0,0,0,1|2,0,0]=4 625 B11R1.35 CC(S)C(=O)Nc1ccno1 WXVL_AF0588SB2708 [0,1,0,0,0,1|2,0,0]=4 626 B11R1.35 CC(S)C(=O)Nc1ncco1 WXVL_AF0235SB2708 [0,1,0,0,0,1|2,0,0]=4 627 B11R1.35 CC(S)C(=O)Nc1ncco1 WXVL_AF0235SB2708 [0,1,0,0,0,1|2,0,0]=4 628 B11R1.35 CN(C)C(=O)Cc1cccs1 WXVL_AN0032SA0018 [0,1,0,0,0,1|1,1,0]=4 629 B11R1.35 CN(C)C(=O)Cc1cccs1 WXVL_AN0032SA0018 [0,1,0,0,0,1|1,1,0]=4 630 B11R1.35 C[C@@H](O)C(=O)Nc1ccno1 WXVL_AF0588SB1085 [0,1,0,0,0,1|2,0,0]=4 631 B11R1.35 C[C@@H](O)C(=O)Nc1ccno1 WXVL_AF0588SB1085 [0,1,0,0,0,1|2,0,0]=4 632 B11R1.35 C[C@@H](O)C(=O)Nc1ncco1 WXVL_AF0235SB1085 [0,1,0,0,0,1|2,0,0]=4 633 B11R1.35 C[C@@H](O)C(=O)Nc1ncco1 WXVL_AF0235SB1085 [0,1,0,0,0,1|2,0,0]=4 634 B11R1.39 CCC(=O)Nc1cc(no1)C WXVL_AF0001SB0064 [0,1,0,0,0,1|2,0,0]=4 635 B11R1.39 CCC(=O)Nc1cc(no1)C WXVL_AF0001SB0064 [0,1,0,0,0,1|2,0,0]=4 636 B11R1.39 CCC(=O)Nc1nc(co1)C WXVL_AF0249SB0064 [0,1,0,0,0,1|2,0,0]=4 637 B11R1.39 CCC(=O)Nc1nc(co1)C WXVL_AF0249SB0064 [0,1,0,0,0,1|2,0,0]=4 638 B11R1.39 CNC(=O)Cc1cc(cs1)Br WXVL_AK00442SA0181 [0,1,0,0,0,1|1,1,0]=4 639 B11R1.39 CNC(=O)Cc1cc(cs1)Br WXVL_AK00442SA0181 [0,1,0,0,0,1|1,1,0]=4 640 B11R1.39 CNC(=O)Cc1cc(no1)C WXVL_AK00442SA0039 [0,1,0,0,0,1|2,0,0]=4 641 B11R1.39 CNC(=O)Cc1cc(no1)C WXVL_AK00442SA0039 [0,1,0,0,0,1|2,0,0]=4 642 B11R1.39 CNC(=O)Cc1ccc(s1)Cl WXVL_AK00442SA0043 [0,1,0,0,0,1|1,1,0]=4 643 B11R1.39 CNC(=O)Cc1ccc(s1)Cl WXVL_AK00442SA0043 [0,1,0,0,0,1|1,1,0]=4 644 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,2,0,0,0,0|2,0,0]=4 645 B11R1.15 CCNC(=O)c1cc(c[nH]1)Br WXVL_AK00476SC0644 [0,2,0,0,0,0|2,0,0]=4 646 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,2,0,0,0,0|2,0,0]=4 647 B11R1.15 CCNC(=O)c1cc(c[nH]1)C WXVL_AK00476SC0830 [0,2,0,0,0,0|2,0,0]=4 648 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,2,0,0,0,0|2,0,0]=4 649 B11R1.15 CCNC(=O)c1cc(c[nH]1)F WXVL_AK00476SC0334 [0,2,0,0,0,0|2,0,0]=4 650 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,2,0,0,0,0|1,1,0]=4 651 B11R1.15 CCNC(=O)c1cc(cs1)Br WXVL_AK00476SC0188 [0,2,0,0,0,0|1,1,0]=4 652 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,2,0,0,0,0|1,1,0]=4 653 B11R1.15 CCNC(=O)c1cc(cs1)C WXVL_AK00476SC0004 [0,2,0,0,0,0|1,1,0]=4 654 B11R1.15 CCNC(=O)c1cc(no1)C WXVL_AK00476SC0089 [0,2,0,0,0,0|2,0,0]=4 655 B11R1.15 CCNC(=O)c1cc(no1)C WXVL_AK00476SC0089 [0,2,0,0,0,0|2,0,0]=4 656 B11R1.15 CCNC(=O)c1cc(no1)O WXVL_AK00476SC0522 [0,2,0,0,0,0|2,0,0]=4 657 B11R1.15 CCNC(=O)c1cc(no1)O WXVL_AK00476SC0522 [0,2,0,0,0,0|2,0,0]=4 658 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,2,0,0,0,0|1,0,0]=3 659 B11R1.15 CCNC(=O)c1ccc(o1)C WXVL_AK00476SC0005 [0,2,0,0,0,0|1,0,0]=3 660 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,2,0,0,0,0|1,0,0]=3 661 B11R1.15 CCNC(=O)c1ccc(o1)Cl WXVL_AK00476SC0926 [0,2,0,0,0,0|1,0,0]=3 662 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,2,0,0,0,0|1,1,0]=4 663 B11R1.15 CCNC(=O)c1ccc(s1)Br WXVL_AK00476SC0359 [0,2,0,0,0,0|1,1,0]=4 664 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,2,0,0,0,0|1,1,0]=4 665 B11R1.15 CCNC(=O)c1ccc(s1)C WXVL_AK00476SC0053 [0,2,0,0,0,0|1,1,0]=4 666 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,2,0,0,0,0|1,1,0]=4 667 B11R1.15 CCNC(=O)c1ccc(s1)Cl WXVL_AK00476SC0067 [0,2,0,0,0,0|1,1,0]=4 668 B11R1.15 CCNC(=O)c1cnc(o1)Br WXVL_AK00476SC0815 [0,2,0,0,0,0|2,0,0]=4 669 B11R1.15 CCNC(=O)c1cnc(o1)Br WXVL_AK00476SC0815 [0,2,0,0,0,0|2,0,0]=4 670 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [0,2,0,0,0,0|1,0,0]=3 671 B11R1.29 C=CCNC(=O)c1ccco1 WXVL_AK00561SC0049 [0,2,0,0,0,0|1,0,0]=3 672 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [0,2,0,0,0,0|1,1,0]=4 673 B11R1.29 C=CCNC(=O)c1cccs1 WXVL_AK00561SC0051 [0,2,0,0,0,0|1,1,0]=4 674 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [0,2,0,0,0,0|2,0,0]=4 675 B11R1.29 C=CCNC(=O)c1ccno1 WXVL_AK00561SC0080 [0,2,0,0,0,0|2,0,0]=4 676 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,2,0,0,0,0|2,0,0]=4 677 B11R1.29 C=CCNC(=O)c1cnco1 WXVL_AK00561SC0018 [0,2,0,0,0,0|2,0,0]=4 678 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,2,0,0,0,0|1,0,0]=3 679 B11R1.29 CCCNC(=O)c1ccco1 WXVL_AK00504SC0049 [0,2,0,0,0,0|1,0,0]=3 680 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,2,0,0,0,0|1,1,0]=4 681 B11R1.29 CCCNC(=O)c1cccs1 WXVL_AK00504SC0051 [0,2,0,0,0,0|1,1,0]=4 682 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,2,0,0,0,0|2,0,0]=4 683 B11R1.29 CCCNC(=O)c1ccno1 WXVL_AK00504SC0080 [0,2,0,0,0,0|2,0,0]=4 684 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,2,0,0,0,0|2,0,0]=4 685 B11R1.29 CCCNC(=O)c1cnco1 WXVL_AK00504SC0018 [0,2,0,0,0,0|2,0,0]=4 686 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [0,2,0,0,0,0|1,0,0]=3 687 B11R1.29 N#CCNC(=O)c1ccco1 WXVL_AK0683SC0049 [0,2,0,0,0,0|1,0,0]=3 688 B11R1.29 N#CCNC(=O)c1cccs1 WXVL_AK0683SC0051 [0,2,0,0,0,0|1,1,0]=4 689 B11R1.29 N#CCNC(=O)c1cccs1 WXVL_AK0683SC0051 [0,2,0,0,0,0|1,1,0]=4 690 B11R1.29 N#CCNC(=O)c1ccno1 WXVL_AK0683SC0080 [0,2,0,0,0,0|2,0,0]=4 691 B11R1.29 N#CCNC(=O)c1ccno1 WXVL_AK0683SC0080 [0,2,0,0,0,0|2,0,0]=4 692 B11R1.29 N#CCNC(=O)c1cnco1 WXVL_AK0683SC0018 [0,2,0,0,0,0|2,0,0]=4 693 B11R1.29 N#CCNC(=O)c1cnco1 WXVL_AK0683SC0018 [0,2,0,0,0,0|2,0,0]=4 694 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,2,0,0,0,0|1,0,0]=3 695 B11R1.29 O=C(NCCF)c1ccco1 WXVL_AK00466SC0049 [0,2,0,0,0,0|1,0,0]=3 696 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,2,0,0,0,0|1,1,0]=4 697 B11R1.29 O=C(NCCF)c1cccs1 WXVL_AK00466SC0051 [0,2,0,0,0,0|1,1,0]=4 698 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [0,2,0,0,0,0|2,0,0]=4 699 B11R1.29 O=C(NCCF)c1ccno1 WXVL_AK00466SC0080 [0,2,0,0,0,0|2,0,0]=4 700 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [0,2,0,0,0,0|2,0,0]=4 701 B11R1.29 O=C(NCCF)c1cnco1 WXVL_AK00466SC0018 [0,2,0,0,0,0|2,0,0]=4 702 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,2,0,0,0,0|1,0,0]=3 703 B11R1.77 CC(C)NC(=O)c1ccco1 WXVL_AK0030SC0049 [0,2,0,0,0,0|1,0,0]=3 704 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,2,0,0,0,0|1,1,0]=4 705 B11R1.77 CC(C)NC(=O)c1cccs1 WXVL_AK0030SC0051 [0,2,0,0,0,0|1,1,0]=4 706 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [0,2,0,0,0,0|2,0,0]=4 707 B11R1.77 CC(C)NC(=O)c1ccno1 WXVL_AK0030SC0080 [0,2,0,0,0,0|2,0,0]=4 708 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [0,2,0,0,0,0|2,0,0]=4 709 B11R1.77 CC(C)NC(=O)c1cnco1 WXVL_AK0030SC0018 [0,2,0,0,0,0|2,0,0]=4 710 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,2,0,0,0,0|2,0,0]=4 711 B11R1.199 CCNC(=O)c1[nH]ccc1C WXVL_AK00476SC1315 [0,2,0,0,0,0|2,0,0]=4 712 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,2,0,0,0,0|1,0,0]=3 713 B11R1.199 CCNC(=O)c1occc1Br WXVL_AK00476SC0241 [0,2,0,0,0,0|1,0,0]=3 714 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,2,0,0,0,0|1,0,0]=3 715 B11R1.199 CCNC(=O)c1occc1C WXVL_AK00476SC0230 [0,2,0,0,0,0|1,0,0]=3 716 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [0,2,0,0,0,0|2,0,0]=4 717 B11R1.199 CCNC(=O)c1ocnc1C WXVL_AK00476SC0103 [0,2,0,0,0,0|2,0,0]=4 718 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [0,2,0,0,0,0|2,0,0]=4 719 B11R1.199 CCNC(=O)c1oncc1C WXVL_AK00476SC0912 [0,2,0,0,0,0|2,0,0]=4 720 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,2,0,0,0,0|1,1,0]=4 721 B11R1.199 CCNC(=O)c1sccc1Br WXVL_AK00476SC0364 [0,2,0,0,0,0|1,1,0]=4 722 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,2,0,0,0,0|1,1,0]=4 723 B11R1.199 CCNC(=O)c1sccc1C WXVL_AK00476SC0052 [0,2,0,0,0,0|1,1,0]=4 724 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,2,0,0,0,0|1,1,0]=4 725 B11R1.199 CCNC(=O)c1sccc1Cl WXVL_AK00476SC0756 [0,2,0,0,0,0|1,1,0]=4 726 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,2,0,0,0,0|1,1,0]=4 727 B11R1.199 CCNC(=O)c1sccc1F WXVL_AK00476SC0017 [0,2,0,0,0,0|1,1,0]=4 728 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,2,0,0,0,0|1,1,0]=4 729 B11R1.199 CCNC(=O)c1sccc1I WXVL_AK00476SC1579 [0,2,0,0,0,0|1,1,0]=4 730 B11R1.44 CNC(=O)c1cc(c[nH]1)C#N WXVL_AK00442SC2642 [0,2,0,0,0,0|2,0,0]=4 731 B11R1.44 CNC(=O)c1cc(c[nH]1)C#N WXVL_AK00442SC2642 [0,2,0,0,0,0|2,0,0]=4 732 B11R1.44 CNC(=O)c1ccc(o1)CO WXVL_AK00442SC0443 [0,2,0,0,0,0|1,0,0]=3 733 B11R1.44 CNC(=O)c1ccc(o1)CO WXVL_AK00442SC0443 [0,2,0,0,0,0|1,0,0]=3 734 B11R1.44 CNC(=O)c1ccc(s1)C#N WXVL_AK00442SC0586 [0,2,0,0,0,0|1,1,0]=4 735 B11R1.44 CNC(=O)c1ccc(s1)C#N WXVL_AK00442SC0586 [0,2,0,0,0,0|1,1,0]=4 736 B11R1.44 CNC(=O)c1ccc(s1)OC WXVL_AK00442SC1134 [0,2,0,0,0,0|1,1,0]=4 737 B11R1.44 CNC(=O)c1ccc(s1)OC WXVL_AK00442SC1134 [0,2,0,0,0,0|1,1,0]=4 738 B11R1.44 CNC(=O)c1ccc(s1)SC WXVL_AK00442SC0929 [0,2,0,0,0,0|1,1,0]=4 739 B11R1.44 CNC(=O)c1ccc(s1)SC WXVL_AK00442SC0929 [0,2,0,0,0,0|1,1,0]=4 740 B11R1.225 CNC(=O)c1cc(cn1C)F WXVL_AK00442SC0315 [0,2,0,0,0,0|2,0,0]=4 741 B11R1.225 CNC(=O)c1cc(cn1C)F WXVL_AK00442SC0315 [0,2,0,0,0,0|2,0,0]=4 742 B11R1.225 CNC(=O)c1oc(nc1C)C WXVL_AK00442SC0466 [0,2,0,0,0,0|2,0,0]=4 743 B11R1.225 CNC(=O)c1oc(nc1C)C WXVL_AK00442SC0466 [0,2,0,0,0,0|2,0,0]=4 744 B11R1.225 CNC(=O)c1sc(cc1Br)Br WXVL_AK00442SC0250 [0,2,0,0,0,0|1,1,0]=4 745 B11R1.225 CNC(=O)c1sc(cc1Br)Br WXVL_AK00442SC0250 [0,2,0,0,0,0|1,1,0]=4 746 B11R1.226 CNC(=O)c1cc(c(s1)Br)C WXVL_AK00442SC1503 [0,2,0,0,0,0|1,1,0]=4 747 B11R1.226 CNC(=O)c1cc(c(s1)Br)C WXVL_AK00442SC1503 [0,2,0,0,0,0|1,1,0]=4 748 B11R1.226 CNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00442SC1222 [0,2,0,0,0,0|1,1,0]=4 749 B11R1.226 CNC(=O)c1cc(c(s1)Br)Cl WXVL_AK00442SC1222 [0,2,0,0,0,0|1,1,0]=4 750 B11R1.226 CNC(=O)c1cc(c(s1)C)Br WXVL_AK00442SC1300 [0,2,0,0,0,0|1,1,0]=4 751 B11R1.226 CNC(=O)c1cc(c(s1)C)Br WXVL_AK00442SC1300 [0,2,0,0,0,0|1,1,0]=4 752 B11R1.226 CNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00442SC1256 [0,2,0,0,0,0|1,1,0]=4 753 B11R1.226 CNC(=O)c1cc(c(s1)Cl)Cl WXVL_AK00442SC1256 [0,2,0,0,0,0|1,1,0]=4 754 B11R1.314 CN(C)C(=O)c1cc(c[nH]1)Br WXVL_AN0032SC0644 [0,2,0,0,0,0|2,0,0]=4 755 B11R1.314 CN(C)C(=O)c1cc(c[nH]1)Br WXVL_AN0032SC0644 [0,2,0,0,0,0|2,0,0]=4 756 B11R1.314 CN(C)C(=O)c1cc(c[nH]1)F WXVL_AN0032SC0334 [0,2,0,0,0,0|2,0,0]=4 757 B11R1.314 CN(C)C(=O)c1cc(c[nH]1)F WXVL_AN0032SC0334 [0,2,0,0,0,0|2,0,0]=4 758 B11R1.314 CN(C)C(=O)c1cc(cs1)Br WXVL_AN0032SC0188 [0,2,0,0,0,0|1,1,0]=4 759 B11R1.314 CN(C)C(=O)c1cc(cs1)Br WXVL_AN0032SC0188 [0,2,0,0,0,0|1,1,0]=4 760 B11R1.314 CN(C)C(=O)c1cc(no1)O WXVL_AN0032SC0522 [0,2,0,0,0,0|2,0,0]=4 761 B11R1.314 CN(C)C(=O)c1cc(no1)O WXVL_AN0032SC0522 [0,2,0,0,0,0|2,0,0]=4 762 B11R1.314 CN(C)C(=O)c1ccc(o1)Cl WXVL_AN0032SC0926 [0,2,0,0,0,0|1,0,0]=3 763 B11R1.314 CN(C)C(=O)c1ccc(o1)Cl WXVL_AN0032SC0926 [0,2,0,0,0,0|1,0,0]=3 764 B11R1.314 CN(C)C(=O)c1ccc(s1)Br WXVL_AN0032SC0359 [0,2,0,0,0,0|1,1,0]=4 765 B11R1.314 CN(C)C(=O)c1ccc(s1)Br WXVL_AN0032SC0359 [0,2,0,0,0,0|1,1,0]=4 766 B11R1.314 CN(C)C(=O)c1ccc(s1)Cl WXVL_AN0032SC0067 [0,2,0,0,0,0|1,1,0]=4 767 B11R1.314 CN(C)C(=O)c1ccc(s1)Cl WXVL_AN0032SC0067 [0,2,0,0,0,0|1,1,0]=4 768 B11R1.314 CN(C)C(=O)c1cnc(o1)Br WXVL_AN0032SC0815 [0,2,0,0,0,0|2,0,0]=4 769 B11R1.314 CN(C)C(=O)c1cnc(o1)Br WXVL_AN0032SC0815 [0,2,0,0,0,0|2,0,0]=4 770 B11R1.314 Cc1c[nH]c(c1)C(=O)N(C)C WXVL_AN0032SC0830 [0,2,0,0,0,0|2,0,0]=4 771 B11R1.314 Cc1c[nH]c(c1)C(=O)N(C)C WXVL_AN0032SC0830 [0,2,0,0,0,0|2,0,0]=4 772 B11R1.314 Cc1cc(on1)C(=O)N(C)C WXVL_AN0032SC0089 [0,2,0,0,0,0|2,0,0]=4 773 B11R1.314 Cc1cc(on1)C(=O)N(C)C WXVL_AN0032SC0089 [0,2,0,0,0,0|2,0,0]=4 774 B11R1.314 Cc1ccc(o1)C(=O)N(C)C WXVL_AN0032SC0005 [0,2,0,0,0,0|1,0,0]=3 775 B11R1.314 Cc1ccc(o1)C(=O)N(C)C WXVL_AN0032SC0005 [0,2,0,0,0,0|1,0,0]=3 776 B11R1.314 Cc1ccc(s1)C(=O)N(C)C WXVL_AN0032SC0053 [0,2,0,0,0,0|1,1,0]=4 777 B11R1.314 Cc1ccc(s1)C(=O)N(C)C WXVL_AN0032SC0053 [0,2,0,0,0,0|1,1,0]=4 778 B11R1.314 Cc1csc(c1)C(=O)N(C)C WXVL_AN0032SC0004 [0,2,0,0,0,0|1,1,0]=4 779 B11R1.314 Cc1csc(c1)C(=O)N(C)C WXVL_AN0032SC0004 [0,2,0,0,0,0|1,1,0]=4 780 B11R1.865 CNC(=O)c1[nH]cc(c1C)C WXVL_AK00442SC0721 [0,2,0,0,0,0|2,0,0]=4 781 B11R1.865 CNC(=O)c1[nH]cc(c1C)C WXVL_AK00442SC0721 [0,2,0,0,0,0|2,0,0]=4 782 B11R1.865 CNC(=O)c1scc(c1C)C WXVL_AK00442SC1211 [0,2,0,0,0,0|1,1,0]=4 783 B11R1.865 CNC(=O)c1scc(c1C)C WXVL_AK00442SC1211 [0,2,0,0,0,0|1,1,0]=4 784 B11R1.865 CNC(=O)c1scc(c1Cl)C WXVL_AK00442SC0955 [0,2,0,0,0,0|1,1,0]=4 785 B11R1.865 CNC(=O)c1scc(c1Cl)C WXVL_AK00442SC0955 [0,2,0,0,0,0|1,1,0]=4 786 B11R1.89 CN(C)C(=O)c1occc1Br WXVL_AN0032SC0241 [0,2,0,0,0,0|1,0,0]=3 787 B11R1.89 CN(C)C(=O)c1occc1Br WXVL_AN0032SC0241 [0,2,0,0,0,0|1,0,0]=3 788 B11R1.89 CN(C)C(=O)c1sccc1Br WXVL_AN0032SC0364 [0,2,0,0,0,0|1,1,0]=4 789 B11R1.89 CN(C)C(=O)c1sccc1Br WXVL_AN0032SC0364 [0,2,0,0,0,0|1,1,0]=4 790 B11R1.89 CN(C)C(=O)c1sccc1Cl WXVL_AN0032SC0756 [0,2,0,0,0,0|1,1,0]=4 791 B11R1.89 CN(C)C(=O)c1sccc1Cl WXVL_AN0032SC0756 [0,2,0,0,0,0|1,1,0]=4 792 B11R1.89 CN(C)C(=O)c1sccc1F WXVL_AN0032SC0017 [0,2,0,0,0,0|1,1,0]=4 793 B11R1.89 CN(C)C(=O)c1sccc1F WXVL_AN0032SC0017 [0,2,0,0,0,0|1,1,0]=4 794 B11R1.89 CN(C)C(=O)c1sccc1I WXVL_AN0032SC1579 [0,2,0,0,0,0|1,1,0]=4 795 B11R1.89 CN(C)C(=O)c1sccc1I WXVL_AN0032SC1579 [0,2,0,0,0,0|1,1,0]=4 796 B11R1.89 Cc1cc[nH]c1C(=O)N(C)C WXVL_AN0032SC1315 [0,2,0,0,0,0|2,0,0]=4 797 B11R1.89 Cc1cc[nH]c1C(=O)N(C)C WXVL_AN0032SC1315 [0,2,0,0,0,0|2,0,0]=4 798 B11R1.89 Cc1ccoc1C(=O)N(C)C WXVL_AN0032SC0230 [0,2,0,0,0,0|1,0,0]=3 799 B11R1.89 Cc1ccoc1C(=O)N(C)C WXVL_AN0032SC0230 [0,2,0,0,0,0|1,0,0]=3 800 B11R1.89 Cc1ccsc1C(=O)N(C)C WXVL_AN0032SC0052 [0,2,0,0,0,0|1,1,0]=4 801 B11R1.89 Cc1ccsc1C(=O)N(C)C WXVL_AN0032SC0052 [0,2,0,0,0,0|1,1,0]=4 802 B11R1.89 Cc1cnoc1C(=O)N(C)C WXVL_AN0032SC0912 [0,2,0,0,0,0|2,0,0]=4 803 B11R1.89 Cc1cnoc1C(=O)N(C)C WXVL_AN0032SC0912 [0,2,0,0,0,0|2,0,0]=4 804 B11R1.89 Cc1ncoc1C(=O)N(C)C WXVL_AN0032SC0103 [0,2,0,0,0,0|2,0,0]=4 805 B11R1.89 Cc1ncoc1C(=O)N(C)C WXVL_AN0032SC0103 [0,2,0,0,0,0|2,0,0]=4 806 B11R1.59 CNC(=O)c1sccc1OC WXVL_AK00442SC0825 [0,2,0,0,0,0|1,1,0]=4 807 B11R1.59 CNC(=O)c1sccc1OC WXVL_AK00442SC0825 [0,2,0,0,0,0|1,1,0]=4 808 B11R2.2 c1coc(c1)c2cccs2 WXVL_LR0498BT1995 [0,1,0,1,0,0|1,0,1]=4 809 B11R2.2 c1coc(c1)c2cnsc2 WXVL_LR0652BT1995 [0,1,0,1,0,0|2,0,0]=4 810 B11R2.2 c1coc(c1)c2ncns2 WXVL_LR0623BT1995 [0,1,0,1,0,0|1,0,1]=4 811 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,0,0,0,0,1|2,0,0]=4 812 B9R1.6 NC(=O)c1ccccc1 WXVL_AK0084SD0001 [1,0,0,0,0,1|2,0,0]=4 813 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [1,0,0,0,0,1|2,0,0]=4 814 B9R1.6 NC(=O)c1ccccn1 WXVL_AK0084SC0058 [1,0,0,0,0,1|2,0,0]=4 815 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [1,0,0,0,0,1|2,0,0]=4 816 B9R1.6 NC(=O)c1cccnc1 WXVL_AK0084SC0061 [1,0,0,0,0,1|2,0,0]=4 817 B9R1.6 NC(=O)c1cccnn1 WXVL_AK0084SC0374 [1,0,0,0,0,1|2,0,0]=4 818 B9R1.6 NC(=O)c1cccnn1 WXVL_AK0084SC0374 [1,0,0,0,0,1|2,0,0]=4 819 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [1,0,0,0,0,1|2,0,0]=4 820 B9R1.6 NC(=O)c1ccncc1 WXVL_AK0084SC0062 [1,0,0,0,0,1|2,0,0]=4 821 B9R1.6 NC(=O)c1ccncn1 WXVL_AK0084SC0231 [1,0,0,0,0,1|2,0,0]=4 822 B9R1.6 NC(=O)c1ccncn1 WXVL_AK0084SC0231 [1,0,0,0,0,1|2,0,0]=4 823 B9R1.6 NC(=O)c1ncccn1 WXVL_AK0084SC0096 [1,0,0,0,0,1|2,0,0]=4 824 B9R1.6 NC(=O)c1ncccn1 WXVL_AK0084SC0096 [1,0,0,0,0,1|2,0,0]=4 825 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,0,0,0,0,2|2,0,0]=4 826 B11R1.40 CCC(=O)Nc1ccccc1 WXVL_AG00183SB0064 [0,0,0,0,0,2|2,0,0]=4 827 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,0,0,0,0,2|2,0,0]=4 828 B11R1.40 CCC(=O)Nc1ccccn1 WXVL_AF00298SB0064 [0,0,0,0,0,2|2,0,0]=4 829 B11R1.40 CCC(=O)Nc1cccnn1 WXVL_AF0151SB0064 [0,0,0,0,0,2|2,0,0]=4 830 B11R1.40 CCC(=O)Nc1cccnn1 WXVL_AF0151SB0064 [0,0,0,0,0,2|2,0,0]=4 831 B11R1.40 CCC(=O)Nc1ccncn1 WXVL_AF0139SB0064 [0,0,0,0,0,2|2,0,0]=4 832 B11R1.40 CCC(=O)Nc1ccncn1 WXVL_AF0139SB0064 [0,0,0,0,0,2|2,0,0]=4 833 B11R1.40 CCC(=O)Nc1cnccn1 WXVL_AF0120SB0064 [0,0,0,0,0,2|2,0,0]=4 834 B11R1.40 CCC(=O)Nc1cnccn1 WXVL_AF0120SB0064 [0,0,0,0,0,2|2,0,0]=4 835 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,0,0,0,0,2|2,0,0]=4 836 B11R1.40 CNC(=O)Cc1ccccc1 WXVL_AK00442SB0092 [0,0,0,0,0,2|2,0,0]=4 837 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,0,0,0,0,2|2,0,0]=4 838 B11R1.40 CNC(=O)Cc1ccccn1 WXVL_AK00442SA0032 [0,0,0,0,0,2|2,0,0]=4 839 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,0,0,0,0,2|2,0,0]=4 840 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SA0029 [0,0,0,0,0,2|2,0,0]=4 841 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,0,0,0,0,2|2,0,0]=4 842 B11R1.40 CNC(=O)Cc1cccnc1 WXVL_AK00442SB00049 [0,0,0,0,0,2|2,0,0]=4 843 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,0,0,0,0,2|2,0,0]=4 844 B11R1.40 CNC(=O)Cc1ccncc1 WXVL_AK00442SA00106 [0,0,0,0,0,2|2,0,0]=4 845 B11R1.40 CNC(=O)Cc1ncccn1 WXVL_AK00442SA0307 [0,0,0,0,0,2|2,0,0]=4 846 B11R1.40 CNC(=O)Cc1ncccn1 WXVL_AK00442SA0307 [0,0,0,0,0,2|2,0,0]=4 847 B11R1.40 CNC(=O)Nc1ccccn1 WXVL_AK00442YV0189 [0,0,0,0,0,2|2,0,0]=4 848 B11R1.40 CNC(=O)Nc1ccccn1 WXVL_AK00442YV0189 [0,0,0,0,0,2|2,0,0]=4 849 B11R1.25 C#CC(=O)NCc1ccco1 WXVL_AK0010SB0338 [0,0,0,0,0,2|1,0,1]=4 850 B11R1.25 C#CC(=O)NCc1ccco1 WXVL_AK0010SB0338 [0,0,0,0,0,2|1,0,1]=4 851 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,0,0,0,0,2|2,0,0]=4 852 B11R1.25 CCC(=O)NCc1ccc[nH]1 WXVL_AK00759SB0064 [0,0,0,0,0,2|2,0,0]=4 853 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,0,0,0,0,2|1,0,0]=3 854 B11R1.25 CCC(=O)NCc1ccco1 WXVL_AK0010SB0064 [0,0,0,0,0,2|1,0,0]=3 855 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,0,0,0,0,2|1,1,0]=4 856 B11R1.25 CCC(=O)NCc1cccs1 WXVL_AK0014SB0064 [0,0,0,0,0,2|1,1,0]=4 857 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [0,0,0,0,0,2|2,0,0]=4 858 B11R1.25 CCC(=O)NCc1cnco1 WXVL_AK1437SB0064 [0,0,0,0,0,2|2,0,0]=4 859 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [0,0,0,0,0,2|1,0,0]=3 860 B11R1.25 CNC(=O)/C=C/c1ccco1 WXVL_AK00442SA0180 [0,0,0,0,0,2|1,0,0]=3 861 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [0,0,0,0,0,2|1,1,0]=4 862 B11R1.25 CNC(=O)/C=C/c1cccs1 WXVL_AK00442SA0001 [0,0,0,0,0,2|1,1,0]=4 863 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,0,0,0,0,2|2,0,0]=4 864 B11R1.25 CNC(=O)CCc1ccc[nH]1 WXVL_AK00442SA0009 [0,0,0,0,0,2|2,0,0]=4 865 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,0,0,0,0,2|1,0,0]=3 866 B11R1.25 CNC(=O)CCc1ccco1 WXVL_AK00442SA0167 [0,0,0,0,0,2|1,0,0]=3 867 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,0,0,0,0,2|1,1,0]=4 868 B11R1.25 CNC(=O)CCc1cccs1 WXVL_AK00442SA0303 [0,0,0,0,0,2|1,1,0]=4 869 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,0,0,0,0,2|2,0,0]=4 870 B11R1.25 O=C(CO)NCc1ccco1 WXVL_AK0010SB2706 [0,0,0,0,0,2|2,0,0]=4