0 B8R1.8 CNCc1cccs1 WXDL_LN01985689_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 1 B8R1.8 CNCc1cccs1 WXDL_WXCD00610088_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 2 B8R1.8 CNCc1cccs1 WXDL_WXCD00611001_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 3 B8R1.8 CNCc1cccs1 WXDL_WXCD00611199_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 4 B8R1.8 CNCc1cccs1 WXDL_WXCD00611670_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 5 B8R1.8 CNCc1cccs1 WXDL_WXCD00611671_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 6 B8R1.8 CNCc1cccs1 WXDL_WXCD00905463_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 7 B8R1.8 CNCc1cccs1 WXDL_WXCD01004270_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 8 B8R1.8 CNCc1cccs1 WXDL_WXCD02002292_AN4223_QS0097 [1,0,0,0,0,0|2,0,1]=4 9 B8R1.8 CNCc1ncc[nH]1 WXDL_LN01985689_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 10 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00610088_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 11 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611001_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 12 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611199_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 13 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611670_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 14 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611671_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 15 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00905463_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 16 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD01004270_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 17 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD02002292_AN4223_QS0090 [1,0,0,0,0,0|2,0,1]=4 18 B8R1.8 CNCc1ncco1 WXDL_LN01985689_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 19 B8R1.8 CNCc1ncco1 WXDL_WXCD00610088_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 20 B8R1.8 CNCc1ncco1 WXDL_WXCD00611001_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 21 B8R1.8 CNCc1ncco1 WXDL_WXCD00611199_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 22 B8R1.8 CNCc1ncco1 WXDL_WXCD00611670_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 23 B8R1.8 CNCc1ncco1 WXDL_WXCD00611671_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 24 B8R1.8 CNCc1ncco1 WXDL_WXCD00905463_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 25 B8R1.8 CNCc1ncco1 WXDL_WXCD01004270_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 26 B8R1.8 CNCc1ncco1 WXDL_WXCD02002292_AN4223_QS1188 [1,0,0,0,0,0|1,1,1]=4 27 B8R1.8 CNCc1nccs1 WXDL_LN01985689_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 28 B8R1.8 CNCc1nccs1 WXDL_WXCD00610088_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 29 B8R1.8 CNCc1nccs1 WXDL_WXCD00611001_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 30 B8R1.8 CNCc1nccs1 WXDL_WXCD00611199_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 31 B8R1.8 CNCc1nccs1 WXDL_WXCD00611670_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 32 B8R1.8 CNCc1nccs1 WXDL_WXCD00611671_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 33 B8R1.8 CNCc1nccs1 WXDL_WXCD00905463_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 34 B8R1.8 CNCc1nccs1 WXDL_WXCD01004270_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 35 B8R1.8 CNCc1nccs1 WXDL_WXCD02002292_AN4223_QS0189 [1,0,0,0,0,0|1,0,1]=3 36 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_LN01985689_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 37 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD00610088_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 38 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD00611001_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 39 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD00611199_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 40 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD00611670_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 41 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD00611671_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 42 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD00905463_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 43 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD01004270_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 44 B10R1.6 CNS(=O)(=O)c1cccs1 WXDL_WXCD02002292_AN4223_HU0005 [0,1,0,0,0,0|3,0,0]=4 45 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_LN01985689_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 46 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD00610088_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 47 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD00611001_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 48 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD00611199_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 49 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD00611670_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 50 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD00611671_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 51 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD00905463_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 52 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD01004270_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 53 B10R1.6 CNS(=O)(=O)c1nccs1 WXDL_WXCD02002292_AN4223_HU0329 [0,1,0,0,0,0|2,0,0]=3 54 B9R1.7 CNCc1nc(cs1)Br WXDL_LN01985689_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 55 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00610088_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 56 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611001_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 57 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611199_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 58 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611670_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 59 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611671_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 60 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00905463_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 61 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD01004270_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 62 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD02002292_AN4223_QS0464 [1,1,0,0,0,0|1,0,1]=4 63 B9R1.7 CNCc1nc(cs1)C WXDL_LN01985689_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 64 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00610088_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 65 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611001_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 66 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611199_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 67 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611670_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 68 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611671_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 69 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00905463_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 70 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD01004270_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 71 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD02002292_AN4223_QS0159 [1,1,0,0,0,0|1,0,1]=4 72 B9R1.7 CNCc1ncc(s1)C WXDL_LN01985689_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 73 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00610088_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 74 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611001_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 75 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611199_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 76 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611670_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 77 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611671_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 78 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00905463_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 79 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD01004270_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 80 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD02002292_AN4223_QS0905 [1,1,0,0,0,0|1,0,1]=4 81 B9R1.7 CNCc1ncc(s1)Cl WXDL_LN01985689_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 82 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00610088_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 83 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611001_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 84 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611199_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 85 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611670_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 86 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611671_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 87 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00905463_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 88 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD01004270_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 89 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD02002292_AN4223_QS0360 [1,1,0,0,0,0|1,0,1]=4 90 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_LN01985689_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 91 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD00610088_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 92 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD00611001_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 93 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD00611199_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 94 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD00611670_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 95 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD00611671_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 96 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD00905463_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 97 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD01004270_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4 98 B11R1.40 CNC(=O)Nc1ccccn1 WXDL_WXCD02002292_AN4223_YV0189 [0,0,0,0,0,2|2,0,0]=4