0 B8R1.8 CNCc1cc[nH]c1 WXDL_LN01985689_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 1 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00610088_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 2 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611001_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 3 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611199_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 4 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611670_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 5 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00611671_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 6 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD00905463_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 7 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD01004270_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 8 B8R1.8 CNCc1cc[nH]c1 WXDL_WXCD02002292_AN4223_QS1121 [0,1,0,0,0,0|2,0,0]=3 9 B8R1.8 CNCc1ccc[nH]1 WXDL_LN01985689_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 10 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00610088_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 11 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611001_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 12 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611199_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 13 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611670_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 14 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611671_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 15 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00905463_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 16 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD01004270_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 17 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD02002292_AN4223_QS0096 [0,1,0,0,0,0|1,0,0]=2 18 B8R1.8 CNCc1cccs1 WXDL_LN01985689_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 19 B8R1.8 CNCc1cccs1 WXDL_WXCD00610088_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 20 B8R1.8 CNCc1cccs1 WXDL_WXCD00611001_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 21 B8R1.8 CNCc1cccs1 WXDL_WXCD00611199_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 22 B8R1.8 CNCc1cccs1 WXDL_WXCD00611670_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 23 B8R1.8 CNCc1cccs1 WXDL_WXCD00611671_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 24 B8R1.8 CNCc1cccs1 WXDL_WXCD00905463_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 25 B8R1.8 CNCc1cccs1 WXDL_WXCD01004270_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 26 B8R1.8 CNCc1cccs1 WXDL_WXCD02002292_AN4223_QS0097 [0,1,0,0,0,0|0,1,0]=2 27 B8R1.8 CNCc1ccn[nH]1 WXDL_LN01985689_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 28 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00610088_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 29 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611001_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 30 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611199_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 31 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611670_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 32 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00611671_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 33 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD00905463_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD01004270_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 35 B8R1.8 CNCc1ccn[nH]1 WXDL_WXCD02002292_AN4223_QS0363 [0,1,0,0,0,0|2,0,0]=3 36 B8R1.8 CNCc1ccsc1 WXDL_LN01985689_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 37 B8R1.8 CNCc1ccsc1 WXDL_WXCD00610088_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 38 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611001_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611199_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 40 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611670_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 41 B8R1.8 CNCc1ccsc1 WXDL_WXCD00611671_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 42 B8R1.8 CNCc1ccsc1 WXDL_WXCD00905463_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 43 B8R1.8 CNCc1ccsc1 WXDL_WXCD01004270_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 44 B8R1.8 CNCc1ccsc1 WXDL_WXCD02002292_AN4223_QS0101 [0,1,0,0,0,0|2,0,0]=3 45 B8R1.8 CNCc1cn[nH]c1 WXDL_LN01985689_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 46 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD00610088_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD00611001_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 48 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD00611199_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 49 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD00611670_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 50 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD00611671_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 51 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD00905463_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 52 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD01004270_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 53 B8R1.8 CNCc1cn[nH]c1 WXDL_WXCD02002292_AN4223_QS0005 [0,1,0,0,0,0|3,0,0]=4 54 B8R1.8 CNCc1cnc[nH]1 WXDL_LN01985689_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 55 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00610088_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 56 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611001_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 57 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611199_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 58 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611670_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 59 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00611671_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 60 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD00905463_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 61 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD01004270_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 62 B8R1.8 CNCc1cnc[nH]1 WXDL_WXCD02002292_AN4223_QS0332 [0,1,0,0,0,0|2,0,0]=3 63 B8R1.8 CNCc1cnco1 WXDL_LN01985689_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 64 B8R1.8 CNCc1cnco1 WXDL_WXCD00610088_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 65 B8R1.8 CNCc1cnco1 WXDL_WXCD00611001_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 66 B8R1.8 CNCc1cnco1 WXDL_WXCD00611199_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 67 B8R1.8 CNCc1cnco1 WXDL_WXCD00611670_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 68 B8R1.8 CNCc1cnco1 WXDL_WXCD00611671_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 69 B8R1.8 CNCc1cnco1 WXDL_WXCD00905463_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 70 B8R1.8 CNCc1cnco1 WXDL_WXCD01004270_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 71 B8R1.8 CNCc1cnco1 WXDL_WXCD02002292_AN4223_QS1170 [0,1,0,0,0,0|1,0,0]=2 72 B8R1.8 CNCc1cncs1 WXDL_LN01985689_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 73 B8R1.8 CNCc1cncs1 WXDL_WXCD00610088_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 74 B8R1.8 CNCc1cncs1 WXDL_WXCD00611001_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 75 B8R1.8 CNCc1cncs1 WXDL_WXCD00611199_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 76 B8R1.8 CNCc1cncs1 WXDL_WXCD00611670_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 77 B8R1.8 CNCc1cncs1 WXDL_WXCD00611671_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 78 B8R1.8 CNCc1cncs1 WXDL_WXCD00905463_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 79 B8R1.8 CNCc1cncs1 WXDL_WXCD01004270_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 80 B8R1.8 CNCc1cncs1 WXDL_WXCD02002292_AN4223_QS0291 [0,1,0,0,0,0|1,1,0]=3 81 B8R1.8 CNCc1cocn1 WXDL_LN01985689_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 82 B8R1.8 CNCc1cocn1 WXDL_WXCD00610088_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 83 B8R1.8 CNCc1cocn1 WXDL_WXCD00611001_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 84 B8R1.8 CNCc1cocn1 WXDL_WXCD00611199_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 85 B8R1.8 CNCc1cocn1 WXDL_WXCD00611670_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 86 B8R1.8 CNCc1cocn1 WXDL_WXCD00611671_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 87 B8R1.8 CNCc1cocn1 WXDL_WXCD00905463_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 88 B8R1.8 CNCc1cocn1 WXDL_WXCD01004270_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 89 B8R1.8 CNCc1cocn1 WXDL_WXCD02002292_AN4223_QS1213 [0,1,0,0,0,0|2,0,0]=3 90 B8R1.8 CNCc1cscn1 WXDL_LN01985689_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 91 B8R1.8 CNCc1cscn1 WXDL_WXCD00610088_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 92 B8R1.8 CNCc1cscn1 WXDL_WXCD00611001_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 93 B8R1.8 CNCc1cscn1 WXDL_WXCD00611199_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 94 B8R1.8 CNCc1cscn1 WXDL_WXCD00611670_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 95 B8R1.8 CNCc1cscn1 WXDL_WXCD00611671_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 96 B8R1.8 CNCc1cscn1 WXDL_WXCD00905463_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 97 B8R1.8 CNCc1cscn1 WXDL_WXCD01004270_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 98 B8R1.8 CNCc1cscn1 WXDL_WXCD02002292_AN4223_QS0435 [0,1,0,0,0,0|2,0,0]=3 99 B8R1.8 CNCc1ncc[nH]1 WXDL_LN01985689_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 100 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00610088_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 101 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611001_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 102 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611199_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 103 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611670_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 104 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00611671_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 105 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD00905463_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 106 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD01004270_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 107 B8R1.8 CNCc1ncc[nH]1 WXDL_WXCD02002292_AN4223_QS0090 [0,1,0,0,0,0|2,0,0]=3 108 B8R1.8 CNCc1ncco1 WXDL_LN01985689_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 109 B8R1.8 CNCc1ncco1 WXDL_WXCD00610088_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 110 B8R1.8 CNCc1ncco1 WXDL_WXCD00611001_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 111 B8R1.8 CNCc1ncco1 WXDL_WXCD00611199_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 112 B8R1.8 CNCc1ncco1 WXDL_WXCD00611670_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 113 B8R1.8 CNCc1ncco1 WXDL_WXCD00611671_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 114 B8R1.8 CNCc1ncco1 WXDL_WXCD00905463_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 115 B8R1.8 CNCc1ncco1 WXDL_WXCD01004270_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 116 B8R1.8 CNCc1ncco1 WXDL_WXCD02002292_AN4223_QS1188 [0,1,0,0,0,0|1,0,0]=2 117 B8R1.8 CNCc1nccs1 WXDL_LN01985689_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 118 B8R1.8 CNCc1nccs1 WXDL_WXCD00610088_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 119 B8R1.8 CNCc1nccs1 WXDL_WXCD00611001_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 120 B8R1.8 CNCc1nccs1 WXDL_WXCD00611199_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 121 B8R1.8 CNCc1nccs1 WXDL_WXCD00611670_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 122 B8R1.8 CNCc1nccs1 WXDL_WXCD00611671_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 123 B8R1.8 CNCc1nccs1 WXDL_WXCD00905463_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 124 B8R1.8 CNCc1nccs1 WXDL_WXCD01004270_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 125 B8R1.8 CNCc1nccs1 WXDL_WXCD02002292_AN4223_QS0189 [0,1,0,0,0,0|1,1,0]=3 126 B8R1.2 CNc1ccncn1 WXDL_LN01985689_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 127 B8R1.2 CNc1ccncn1 WXDL_WXCD00610088_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 128 B8R1.2 CNc1ccncn1 WXDL_WXCD00611001_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 129 B8R1.2 CNc1ccncn1 WXDL_WXCD00611199_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 130 B8R1.2 CNc1ccncn1 WXDL_WXCD00611670_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 131 B8R1.2 CNc1ccncn1 WXDL_WXCD00611671_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 132 B8R1.2 CNc1ccncn1 WXDL_WXCD00905463_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 133 B8R1.2 CNc1ccncn1 WXDL_WXCD01004270_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 134 B8R1.2 CNc1ccncn1 WXDL_WXCD02002292_AN4223_LP3358 [0,0,0,0,0,1|2,0,0]=3 135 B8R1.2 CNc1ncccn1 WXDL_LN01985689_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 136 B8R1.2 CNc1ncccn1 WXDL_WXCD00610088_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 137 B8R1.2 CNc1ncccn1 WXDL_WXCD00611001_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 138 B8R1.2 CNc1ncccn1 WXDL_WXCD00611199_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 139 B8R1.2 CNc1ncccn1 WXDL_WXCD00611670_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 140 B8R1.2 CNc1ncccn1 WXDL_WXCD00611671_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 141 B8R1.2 CNc1ncccn1 WXDL_WXCD00905463_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 142 B8R1.2 CNc1ncccn1 WXDL_WXCD01004270_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 143 B8R1.2 CNc1ncccn1 WXDL_WXCD02002292_AN4223_LP0002 [0,0,0,0,0,1|2,0,0]=3 144 B9R1.1 CNc1ncc(cn1)Br WXDL_LN01985689_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 145 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD00610088_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 146 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD00611001_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 147 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD00611199_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 148 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD00611670_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 149 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD00611671_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 150 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD00905463_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 151 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD01004270_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 152 B9R1.1 CNc1ncc(cn1)Br WXDL_WXCD02002292_AN4223_LQ1546 [0,1,0,0,0,1|2,0,0]=4 153 B9R1.1 CNc1ncc(cn1)C WXDL_LN01985689_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 154 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD00610088_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 155 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD00611001_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 156 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD00611199_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 157 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD00611670_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 158 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD00611671_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 159 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD00905463_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 160 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD01004270_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 161 B9R1.1 CNc1ncc(cn1)C WXDL_WXCD02002292_AN4223_LP0025 [0,1,0,0,0,1|2,0,0]=4 162 B9R1.1 CNc1ncc(cn1)F WXDL_LN01985689_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 163 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD00610088_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 164 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD00611001_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 165 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD00611199_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 166 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD00611670_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 167 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD00611671_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 168 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD00905463_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 169 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD01004270_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 170 B9R1.1 CNc1ncc(cn1)F WXDL_WXCD02002292_AN4223_LP0017 [0,1,0,0,0,1|2,0,0]=4 171 B9R1.1 CNc1ncc(cn1)I WXDL_LN01985689_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 172 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD00610088_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 173 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD00611001_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 174 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD00611199_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 175 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD00611670_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 176 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD00611671_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 177 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD00905463_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 178 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD01004270_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 179 B9R1.1 CNc1ncc(cn1)I WXDL_WXCD02002292_AN4223_LP3340 [0,1,0,0,0,1|2,0,0]=4 180 B9R1.2 CNc1cc(ncn1)C WXDL_LN01985689_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 181 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD00610088_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 182 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD00611001_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 183 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD00611199_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 184 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD00611670_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 185 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD00611671_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 186 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD00905463_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 187 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD01004270_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 188 B9R1.2 CNc1cc(ncn1)C WXDL_WXCD02002292_AN4223_LP0109 [0,1,0,0,0,1|2,0,0]=4 189 B9R1.2 CNc1ccnc(n1)Br WXDL_LN01985689_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 190 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD00610088_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 191 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD00611001_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 192 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD00611199_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 193 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD00611670_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 194 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD00611671_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 195 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD00905463_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 196 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD01004270_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 197 B9R1.2 CNc1ccnc(n1)Br WXDL_WXCD02002292_AN4223_LQ4646 [0,1,0,0,0,1|2,0,0]=4 198 B9R1.2 CNc1ccnc(n1)C WXDL_LN01985689_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 199 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD00610088_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 200 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD00611001_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 201 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD00611199_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 202 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD00611670_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 203 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD00611671_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 204 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD00905463_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 205 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD01004270_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 206 B9R1.2 CNc1ccnc(n1)C WXDL_WXCD02002292_AN4223_LP0556 [0,1,0,0,0,1|2,0,0]=4 207 B9R1.2 CNc1nccc(n1)Br WXDL_LN01985689_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 208 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD00610088_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 209 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD00611001_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 210 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD00611199_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 211 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD00611670_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 212 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD00611671_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 213 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD00905463_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 214 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD01004270_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 215 B9R1.2 CNc1nccc(n1)Br WXDL_WXCD02002292_AN4223_LQ3192 [0,1,0,0,0,1|2,0,0]=4 216 B9R1.2 CNc1nccc(n1)C WXDL_LN01985689_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 217 B9R1.2 CNc1nccc(n1)C WXDL_WXCD00610088_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 218 B9R1.2 CNc1nccc(n1)C WXDL_WXCD00611001_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 219 B9R1.2 CNc1nccc(n1)C WXDL_WXCD00611199_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 220 B9R1.2 CNc1nccc(n1)C WXDL_WXCD00611670_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 221 B9R1.2 CNc1nccc(n1)C WXDL_WXCD00611671_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 222 B9R1.2 CNc1nccc(n1)C WXDL_WXCD00905463_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 223 B9R1.2 CNc1nccc(n1)C WXDL_WXCD01004270_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 224 B9R1.2 CNc1nccc(n1)C WXDL_WXCD02002292_AN4223_LP0007 [0,1,0,0,0,1|2,0,0]=4 225 B9R1.8 CNCc1ccccn1 WXDL_LN01985689_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 226 B9R1.8 CNCc1ccccn1 WXDL_WXCD00610088_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 227 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611001_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 228 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611199_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 229 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611670_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 230 B9R1.8 CNCc1ccccn1 WXDL_WXCD00611671_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 231 B9R1.8 CNCc1ccccn1 WXDL_WXCD00905463_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 232 B9R1.8 CNCc1ccccn1 WXDL_WXCD01004270_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 233 B9R1.8 CNCc1ccccn1 WXDL_WXCD02002292_AN4223_QS0104 [0,1,0,0,0,1|1,0,0]=3 234 B9R1.8 CNCc1cccnc1 WXDL_LN01985689_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 235 B9R1.8 CNCc1cccnc1 WXDL_WXCD00610088_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 236 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611001_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 237 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611199_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 238 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611670_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 239 B9R1.8 CNCc1cccnc1 WXDL_WXCD00611671_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 240 B9R1.8 CNCc1cccnc1 WXDL_WXCD00905463_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 241 B9R1.8 CNCc1cccnc1 WXDL_WXCD01004270_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 242 B9R1.8 CNCc1cccnc1 WXDL_WXCD02002292_AN4223_QS0106 [0,1,0,0,0,1|1,0,0]=3 243 B9R1.8 CNCc1ccncc1 WXDL_LN01985689_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 244 B9R1.8 CNCc1ccncc1 WXDL_WXCD00610088_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 245 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611001_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 246 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611199_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 247 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611670_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 248 B9R1.8 CNCc1ccncc1 WXDL_WXCD00611671_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 249 B9R1.8 CNCc1ccncc1 WXDL_WXCD00905463_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 250 B9R1.8 CNCc1ccncc1 WXDL_WXCD01004270_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 251 B9R1.8 CNCc1ccncc1 WXDL_WXCD02002292_AN4223_QS0107 [0,1,0,0,0,1|1,0,0]=3 252 B9R1.8 CNCc1cnccn1 WXDL_LN01985689_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 253 B9R1.8 CNCc1cnccn1 WXDL_WXCD00610088_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 254 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611001_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 255 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611199_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 256 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611670_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 257 B9R1.8 CNCc1cnccn1 WXDL_WXCD00611671_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 258 B9R1.8 CNCc1cnccn1 WXDL_WXCD00905463_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 259 B9R1.8 CNCc1cnccn1 WXDL_WXCD01004270_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 260 B9R1.8 CNCc1cnccn1 WXDL_WXCD02002292_AN4223_QS0327 [0,1,0,0,0,1|1,0,0]=3 261 B9R1.8 CNCc1cncnc1 WXDL_LN01985689_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 262 B9R1.8 CNCc1cncnc1 WXDL_WXCD00610088_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 263 B9R1.8 CNCc1cncnc1 WXDL_WXCD00611001_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 264 B9R1.8 CNCc1cncnc1 WXDL_WXCD00611199_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 265 B9R1.8 CNCc1cncnc1 WXDL_WXCD00611670_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 266 B9R1.8 CNCc1cncnc1 WXDL_WXCD00611671_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 267 B9R1.8 CNCc1cncnc1 WXDL_WXCD00905463_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 268 B9R1.8 CNCc1cncnc1 WXDL_WXCD01004270_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 269 B9R1.8 CNCc1cncnc1 WXDL_WXCD02002292_AN4223_QS0450 [0,1,0,0,0,1|2,0,0]=4 270 B9R1.15 CNc1ncncc1Br WXDL_LN01985689_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 271 B9R1.15 CNc1ncncc1Br WXDL_WXCD00610088_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 272 B9R1.15 CNc1ncncc1Br WXDL_WXCD00611001_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 273 B9R1.15 CNc1ncncc1Br WXDL_WXCD00611199_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 274 B9R1.15 CNc1ncncc1Br WXDL_WXCD00611670_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 275 B9R1.15 CNc1ncncc1Br WXDL_WXCD00611671_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 276 B9R1.15 CNc1ncncc1Br WXDL_WXCD00905463_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 277 B9R1.15 CNc1ncncc1Br WXDL_WXCD01004270_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 278 B9R1.15 CNc1ncncc1Br WXDL_WXCD02002292_AN4223_LQ2111 [0,1,0,0,0,1|2,0,0]=4 279 B9R1.15 CNc1ncncc1C WXDL_LN01985689_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 280 B9R1.15 CNc1ncncc1C WXDL_WXCD00610088_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 281 B9R1.15 CNc1ncncc1C WXDL_WXCD00611001_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 282 B9R1.15 CNc1ncncc1C WXDL_WXCD00611199_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 283 B9R1.15 CNc1ncncc1C WXDL_WXCD00611670_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 284 B9R1.15 CNc1ncncc1C WXDL_WXCD00611671_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 285 B9R1.15 CNc1ncncc1C WXDL_WXCD00905463_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 286 B9R1.15 CNc1ncncc1C WXDL_WXCD01004270_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 287 B9R1.15 CNc1ncncc1C WXDL_WXCD02002292_AN4223_LP0053 [0,1,0,0,0,1|2,0,0]=4 288 B9R1.15 CNc1ncncc1F WXDL_LN01985689_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 289 B9R1.15 CNc1ncncc1F WXDL_WXCD00610088_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 290 B9R1.15 CNc1ncncc1F WXDL_WXCD00611001_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 291 B9R1.15 CNc1ncncc1F WXDL_WXCD00611199_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 292 B9R1.15 CNc1ncncc1F WXDL_WXCD00611670_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 293 B9R1.15 CNc1ncncc1F WXDL_WXCD00611671_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 294 B9R1.15 CNc1ncncc1F WXDL_WXCD00905463_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 295 B9R1.15 CNc1ncncc1F WXDL_WXCD01004270_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 296 B9R1.15 CNc1ncncc1F WXDL_WXCD02002292_AN4223_LP0435 [0,1,0,0,0,1|2,0,0]=4 297 B9R1.15 CNc1ncncc1I WXDL_LN01985689_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 298 B9R1.15 CNc1ncncc1I WXDL_WXCD00610088_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 299 B9R1.15 CNc1ncncc1I WXDL_WXCD00611001_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 300 B9R1.15 CNc1ncncc1I WXDL_WXCD00611199_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 301 B9R1.15 CNc1ncncc1I WXDL_WXCD00611670_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 302 B9R1.15 CNc1ncncc1I WXDL_WXCD00611671_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 303 B9R1.15 CNc1ncncc1I WXDL_WXCD00905463_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 304 B9R1.15 CNc1ncncc1I WXDL_WXCD01004270_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 305 B9R1.15 CNc1ncncc1I WXDL_WXCD02002292_AN4223_LP3348 [0,1,0,0,0,1|2,0,0]=4 306 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_LN01985689_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 307 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD00610088_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 308 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD00611001_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 309 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD00611199_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 310 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD00611670_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 311 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD00611671_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 312 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD00905463_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 313 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD01004270_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 314 B9R1.7 CNCc1c[nH]c(c1)Br WXDL_WXCD02002292_AN4223_QS2079 [0,2,0,0,0,0|2,0,0]=4 315 B9R1.7 CNCc1cc([nH]n1)C WXDL_LN01985689_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 316 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD00610088_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 317 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD00611001_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 318 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD00611199_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 319 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD00611670_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 320 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD00611671_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 321 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD00905463_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 322 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD01004270_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 323 B9R1.7 CNCc1cc([nH]n1)C WXDL_WXCD02002292_AN4223_QS0290 [0,2,0,0,0,0|2,0,0]=4 324 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_LN01985689_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 325 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00610088_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 326 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611001_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 327 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611199_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 328 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611670_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 329 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00611671_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 330 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD00905463_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 331 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD01004270_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 332 B9R1.7 CNCc1cc(c[nH]1)Br WXDL_WXCD02002292_AN4223_QS1573 [0,2,0,0,0,0|1,0,0]=3 333 B9R1.7 CNCc1cc(c[nH]1)I WXDL_LN01985689_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 334 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00610088_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 335 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611001_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 336 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611199_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 337 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611670_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 338 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00611671_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 339 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD00905463_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 340 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD01004270_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 341 B9R1.7 CNCc1cc(c[nH]1)I WXDL_WXCD02002292_AN4223_QS1506 [0,2,0,0,0,0|1,0,0]=3 342 B9R1.7 CNCc1cc(co1)Br WXDL_LN01985689_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 343 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00610088_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 344 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611001_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 345 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611199_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 346 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611670_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 347 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611671_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 348 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00905463_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 349 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD01004270_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 350 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD02002292_AN4223_QS1888 [0,2,0,0,0,0|0,0,0]=2 351 B9R1.7 CNCc1cc(cs1)Br WXDL_LN01985689_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 352 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00610088_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 353 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611001_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 354 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611199_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 355 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611670_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 356 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00611671_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 357 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD00905463_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 358 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD01004270_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 359 B9R1.7 CNCc1cc(cs1)Br WXDL_WXCD02002292_AN4223_QS0099 [0,2,0,0,0,0|0,1,0]=3 360 B9R1.7 CNCc1cc(cs1)C WXDL_LN01985689_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 361 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00610088_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 362 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611001_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 363 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611199_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 364 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611670_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 365 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00611671_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 366 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD00905463_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 367 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD01004270_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 368 B9R1.7 CNCc1cc(cs1)C WXDL_WXCD02002292_AN4223_QS0366 [0,2,0,0,0,0|0,1,0]=3 369 B9R1.7 CNCc1ccc([nH]1)Br WXDL_LN01985689_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 370 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00610088_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 371 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611001_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 372 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611199_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 373 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611670_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 374 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00611671_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 375 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD00905463_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 376 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD01004270_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 377 B9R1.7 CNCc1ccc([nH]1)Br WXDL_WXCD02002292_AN4223_QS1848 [0,2,0,0,0,0|1,0,0]=3 378 B9R1.7 CNCc1ccc([nH]1)C WXDL_LN01985689_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 379 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00610088_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 380 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611001_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 381 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611199_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 382 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611670_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 383 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00611671_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 384 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD00905463_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 385 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD01004270_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 386 B9R1.7 CNCc1ccc([nH]1)C WXDL_WXCD02002292_AN4223_QS0294 [0,2,0,0,0,0|1,0,0]=3 387 B9R1.7 CNCc1ccc(o1)Br WXDL_LN01985689_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 388 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00610088_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 389 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611001_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 390 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611199_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 391 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611670_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 392 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611671_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 393 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00905463_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 394 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD01004270_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 395 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD02002292_AN4223_QS0666 [0,2,0,0,0,0|0,0,0]=2 396 B9R1.7 CNCc1ccc(o1)C WXDL_LN01985689_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 397 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00610088_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 398 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611001_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 399 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611199_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 400 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611670_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 401 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611671_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 402 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00905463_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 403 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD01004270_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 404 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD02002292_AN4223_QS0017 [0,2,0,0,0,0|0,0,0]=2 405 B9R1.7 CNCc1ccc(o1)Cl WXDL_LN01985689_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 406 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00610088_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 407 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611001_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 408 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611199_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 409 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611670_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 410 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611671_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 411 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00905463_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 412 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD01004270_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 413 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD02002292_AN4223_QS2045 [0,2,0,0,0,0|0,0,0]=2 414 B9R1.7 CNCc1ccc(o1)I WXDL_LN01985689_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 415 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00610088_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 416 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611001_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 417 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611199_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 418 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611670_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 419 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611671_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 420 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00905463_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 421 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD01004270_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 422 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD02002292_AN4223_QS0665 [0,2,0,0,0,0|0,0,0]=2 423 B9R1.7 CNCc1ccc(s1)Br WXDL_LN01985689_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 424 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00610088_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 425 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611001_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 426 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611199_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 427 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611670_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 428 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00611671_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 429 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD00905463_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 430 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD01004270_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 431 B9R1.7 CNCc1ccc(s1)Br WXDL_WXCD02002292_AN4223_QS0447 [0,2,0,0,0,0|0,1,0]=3 432 B9R1.7 CNCc1ccc(s1)C WXDL_LN01985689_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 433 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00610088_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 434 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611001_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 435 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611199_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 436 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611670_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 437 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00611671_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 438 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD00905463_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 439 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD01004270_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 440 B9R1.7 CNCc1ccc(s1)C WXDL_WXCD02002292_AN4223_QS0100 [0,2,0,0,0,0|0,1,0]=3 441 B9R1.7 CNCc1ccc(s1)Cl WXDL_LN01985689_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 442 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00610088_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 443 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611001_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 444 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611199_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 445 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611670_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 446 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00611671_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 447 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD00905463_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 448 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD01004270_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 449 B9R1.7 CNCc1ccc(s1)Cl WXDL_WXCD02002292_AN4223_QS0170 [0,2,0,0,0,0|0,1,0]=3 450 B9R1.7 CNCc1ccn(n1)C WXDL_LN01985689_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 451 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD00610088_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 452 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD00611001_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 453 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD00611199_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 454 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD00611670_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 455 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD00611671_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 456 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD00905463_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 457 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD01004270_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 458 B9R1.7 CNCc1ccn(n1)C WXDL_WXCD02002292_AN4223_QS0231 [0,2,0,0,0,0|2,0,0]=4 459 B9R1.7 CNCc1cn(cn1)C WXDL_LN01985689_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 460 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD00610088_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 461 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD00611001_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 462 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD00611199_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 463 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD00611670_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 464 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD00611671_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 465 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD00905463_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 466 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD01004270_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 467 B9R1.7 CNCc1cn(cn1)C WXDL_WXCD02002292_AN4223_QS0230 [0,2,0,0,0,0|2,0,0]=4 468 B9R1.7 CNCc1cnc([nH]1)C WXDL_LN01985689_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 469 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD00610088_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 470 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD00611001_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 471 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD00611199_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 472 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD00611670_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 473 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD00611671_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 474 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD00905463_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 475 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD01004270_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 476 B9R1.7 CNCc1cnc([nH]1)C WXDL_WXCD02002292_AN4223_QS1791 [0,2,0,0,0,0|2,0,0]=4 477 B9R1.7 CNCc1cnc(s1)Br WXDL_LN01985689_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 478 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD00610088_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 479 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD00611001_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 480 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD00611199_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 481 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD00611670_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 482 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD00611671_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 483 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD00905463_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 484 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD01004270_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 485 B9R1.7 CNCc1cnc(s1)Br WXDL_WXCD02002292_AN4223_QS0934 [0,2,0,0,0,0|1,1,0]=4 486 B9R1.7 CNCc1cnc(s1)C WXDL_LN01985689_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 487 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD00610088_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 488 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD00611001_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 489 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD00611199_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 490 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD00611670_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 491 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD00611671_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 492 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD00905463_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 493 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD01004270_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 494 B9R1.7 CNCc1cnc(s1)C WXDL_WXCD02002292_AN4223_QS0259 [0,2,0,0,0,0|1,1,0]=4 495 B9R1.7 CNCc1cnc(s1)Cl WXDL_LN01985689_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 496 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD00610088_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 497 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD00611001_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 498 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD00611199_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 499 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD00611670_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 500 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD00611671_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 501 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD00905463_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 502 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD01004270_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 503 B9R1.7 CNCc1cnc(s1)Cl WXDL_WXCD02002292_AN4223_QS0276 [0,2,0,0,0,0|1,1,0]=4 504 B9R1.7 CNCc1coc(n1)C WXDL_LN01985689_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 505 B9R1.7 CNCc1coc(n1)C WXDL_WXCD00610088_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 506 B9R1.7 CNCc1coc(n1)C WXDL_WXCD00611001_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 507 B9R1.7 CNCc1coc(n1)C WXDL_WXCD00611199_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 508 B9R1.7 CNCc1coc(n1)C WXDL_WXCD00611670_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 509 B9R1.7 CNCc1coc(n1)C WXDL_WXCD00611671_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 510 B9R1.7 CNCc1coc(n1)C WXDL_WXCD00905463_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 511 B9R1.7 CNCc1coc(n1)C WXDL_WXCD01004270_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 512 B9R1.7 CNCc1coc(n1)C WXDL_WXCD02002292_AN4223_QS0227 [0,2,0,0,0,0|2,0,0]=4 513 B9R1.7 CNCc1csc(c1)Br WXDL_LN01985689_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 514 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD00610088_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 515 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD00611001_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 516 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD00611199_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 517 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD00611670_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 518 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD00611671_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 519 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD00905463_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 520 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD01004270_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 521 B9R1.7 CNCc1csc(c1)Br WXDL_WXCD02002292_AN4223_QS2074 [0,2,0,0,0,0|2,0,0]=4 522 B9R1.7 CNCc1csc(n1)Br WXDL_LN01985689_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 523 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD00610088_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 524 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD00611001_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 525 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD00611199_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 526 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD00611670_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 527 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD00611671_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 528 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD00905463_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 529 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD01004270_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 530 B9R1.7 CNCc1csc(n1)Br WXDL_WXCD02002292_AN4223_QS0431 [0,2,0,0,0,0|2,0,0]=4 531 B9R1.7 CNCc1csc(n1)C WXDL_LN01985689_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 532 B9R1.7 CNCc1csc(n1)C WXDL_WXCD00610088_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 533 B9R1.7 CNCc1csc(n1)C WXDL_WXCD00611001_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 534 B9R1.7 CNCc1csc(n1)C WXDL_WXCD00611199_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 535 B9R1.7 CNCc1csc(n1)C WXDL_WXCD00611670_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 536 B9R1.7 CNCc1csc(n1)C WXDL_WXCD00611671_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 537 B9R1.7 CNCc1csc(n1)C WXDL_WXCD00905463_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 538 B9R1.7 CNCc1csc(n1)C WXDL_WXCD01004270_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 539 B9R1.7 CNCc1csc(n1)C WXDL_WXCD02002292_AN4223_QS0242 [0,2,0,0,0,0|2,0,0]=4 540 B9R1.7 CNCc1nc(cs1)Br WXDL_LN01985689_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 541 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00610088_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 542 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611001_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 543 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611199_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 544 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611670_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 545 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00611671_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 546 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD00905463_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 547 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD01004270_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 548 B9R1.7 CNCc1nc(cs1)Br WXDL_WXCD02002292_AN4223_QS0464 [0,2,0,0,0,0|1,1,0]=4 549 B9R1.7 CNCc1nc(cs1)C WXDL_LN01985689_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 550 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00610088_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 551 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611001_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 552 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611199_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 553 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611670_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 554 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00611671_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 555 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD00905463_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 556 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD01004270_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 557 B9R1.7 CNCc1nc(cs1)C WXDL_WXCD02002292_AN4223_QS0159 [0,2,0,0,0,0|1,1,0]=4 558 B9R1.7 CNCc1ncc(s1)C WXDL_LN01985689_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 559 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00610088_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 560 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611001_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 561 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611199_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 562 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611670_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 563 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00611671_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 564 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD00905463_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 565 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD01004270_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 566 B9R1.7 CNCc1ncc(s1)C WXDL_WXCD02002292_AN4223_QS0905 [0,2,0,0,0,0|1,1,0]=4 567 B9R1.7 CNCc1ncc(s1)Cl WXDL_LN01985689_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 568 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00610088_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 569 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611001_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 570 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611199_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 571 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611670_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 572 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00611671_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 573 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD00905463_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 574 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD01004270_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 575 B9R1.7 CNCc1ncc(s1)Cl WXDL_WXCD02002292_AN4223_QS0360 [0,2,0,0,0,0|1,1,0]=4 576 B9R1.33 CNCc1[nH]cnc1C WXDL_LN01985689_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 577 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD00610088_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 578 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD00611001_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 579 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD00611199_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 580 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD00611670_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 581 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD00611671_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 582 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD00905463_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 583 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD01004270_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 584 B9R1.33 CNCc1[nH]cnc1C WXDL_WXCD02002292_AN4223_QS0196 [0,2,0,0,0,0|2,0,0]=4 585 B9R1.33 CNCc1cccn1C WXDL_LN01985689_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 586 B9R1.33 CNCc1cccn1C WXDL_WXCD00610088_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 587 B9R1.33 CNCc1cccn1C WXDL_WXCD00611001_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 588 B9R1.33 CNCc1cccn1C WXDL_WXCD00611199_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 589 B9R1.33 CNCc1cccn1C WXDL_WXCD00611670_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 590 B9R1.33 CNCc1cccn1C WXDL_WXCD00611671_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 591 B9R1.33 CNCc1cccn1C WXDL_WXCD00905463_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 592 B9R1.33 CNCc1cccn1C WXDL_WXCD01004270_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 593 B9R1.33 CNCc1cccn1C WXDL_WXCD02002292_AN4223_QS0015 [0,2,0,0,0,0|1,0,0]=3 594 B9R1.33 CNCc1ccnn1C WXDL_LN01985689_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 595 B9R1.33 CNCc1ccnn1C WXDL_WXCD00610088_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 596 B9R1.33 CNCc1ccnn1C WXDL_WXCD00611001_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 597 B9R1.33 CNCc1ccnn1C WXDL_WXCD00611199_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 598 B9R1.33 CNCc1ccnn1C WXDL_WXCD00611670_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 599 B9R1.33 CNCc1ccnn1C WXDL_WXCD00611671_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 600 B9R1.33 CNCc1ccnn1C WXDL_WXCD00905463_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 601 B9R1.33 CNCc1ccnn1C WXDL_WXCD01004270_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 602 B9R1.33 CNCc1ccnn1C WXDL_WXCD02002292_AN4223_QS0232 [0,2,0,0,0,0|2,0,0]=4 603 B9R1.33 CNCc1ccsc1Br WXDL_LN01985689_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 604 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00610088_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 605 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611001_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 606 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611199_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 607 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611670_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 608 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00611671_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 609 B9R1.33 CNCc1ccsc1Br WXDL_WXCD00905463_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 610 B9R1.33 CNCc1ccsc1Br WXDL_WXCD01004270_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 611 B9R1.33 CNCc1ccsc1Br WXDL_WXCD02002292_AN4223_QS2092 [0,2,0,0,0,0|2,0,0]=4 612 B9R1.33 CNCc1cncn1C WXDL_LN01985689_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 613 B9R1.33 CNCc1cncn1C WXDL_WXCD00610088_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 614 B9R1.33 CNCc1cncn1C WXDL_WXCD00611001_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 615 B9R1.33 CNCc1cncn1C WXDL_WXCD00611199_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 616 B9R1.33 CNCc1cncn1C WXDL_WXCD00611670_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 617 B9R1.33 CNCc1cncn1C WXDL_WXCD00611671_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 618 B9R1.33 CNCc1cncn1C WXDL_WXCD00905463_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 619 B9R1.33 CNCc1cncn1C WXDL_WXCD01004270_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 620 B9R1.33 CNCc1cncn1C WXDL_WXCD02002292_AN4223_QS0160 [0,2,0,0,0,0|2,0,0]=4 621 B9R1.33 CNCc1cscc1Br WXDL_LN01985689_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 622 B9R1.33 CNCc1cscc1Br WXDL_WXCD00610088_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 623 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611001_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 624 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611199_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 625 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611670_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 626 B9R1.33 CNCc1cscc1Br WXDL_WXCD00611671_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 627 B9R1.33 CNCc1cscc1Br WXDL_WXCD00905463_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 628 B9R1.33 CNCc1cscc1Br WXDL_WXCD01004270_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 629 B9R1.33 CNCc1cscc1Br WXDL_WXCD02002292_AN4223_QS0787 [0,2,0,0,0,0|2,0,0]=4 630 B9R1.33 CNCc1n[nH]cc1Cl WXDL_LN01985689_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 631 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD00610088_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 632 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD00611001_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 633 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD00611199_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 634 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD00611670_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 635 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD00611671_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 636 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD00905463_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 637 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD01004270_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 638 B9R1.33 CNCc1n[nH]cc1Cl WXDL_WXCD02002292_AN4223_QS4895 [0,2,0,0,0,0|2,0,0]=4 639 B9R1.33 CNCc1nccn1C WXDL_LN01985689_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 640 B9R1.33 CNCc1nccn1C WXDL_WXCD00610088_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 641 B9R1.33 CNCc1nccn1C WXDL_WXCD00611001_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 642 B9R1.33 CNCc1nccn1C WXDL_WXCD00611199_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 643 B9R1.33 CNCc1nccn1C WXDL_WXCD00611670_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 644 B9R1.33 CNCc1nccn1C WXDL_WXCD00611671_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 645 B9R1.33 CNCc1nccn1C WXDL_WXCD00905463_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 646 B9R1.33 CNCc1nccn1C WXDL_WXCD01004270_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 647 B9R1.33 CNCc1nccn1C WXDL_WXCD02002292_AN4223_QS0211 [0,2,0,0,0,0|2,0,0]=4 648 B9R1.33 CNCc1ncsc1C WXDL_LN01985689_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 649 B9R1.33 CNCc1ncsc1C WXDL_WXCD00610088_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 650 B9R1.33 CNCc1ncsc1C WXDL_WXCD00611001_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 651 B9R1.33 CNCc1ncsc1C WXDL_WXCD00611199_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 652 B9R1.33 CNCc1ncsc1C WXDL_WXCD00611670_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 653 B9R1.33 CNCc1ncsc1C WXDL_WXCD00611671_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 654 B9R1.33 CNCc1ncsc1C WXDL_WXCD00905463_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 655 B9R1.33 CNCc1ncsc1C WXDL_WXCD01004270_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 656 B9R1.33 CNCc1ncsc1C WXDL_WXCD02002292_AN4223_QS1737 [0,2,0,0,0,0|2,0,0]=4 657 B9R1.33 CNCc1occc1Br WXDL_LN01985689_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 658 B9R1.33 CNCc1occc1Br WXDL_WXCD00610088_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 659 B9R1.33 CNCc1occc1Br WXDL_WXCD00611001_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 660 B9R1.33 CNCc1occc1Br WXDL_WXCD00611199_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 661 B9R1.33 CNCc1occc1Br WXDL_WXCD00611670_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 662 B9R1.33 CNCc1occc1Br WXDL_WXCD00611671_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 663 B9R1.33 CNCc1occc1Br WXDL_WXCD00905463_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 664 B9R1.33 CNCc1occc1Br WXDL_WXCD01004270_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 665 B9R1.33 CNCc1occc1Br WXDL_WXCD02002292_AN4223_QS1403 [0,2,0,0,0,0|0,0,0]=2 666 B9R1.33 CNCc1sccc1Br WXDL_LN01985689_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 667 B9R1.33 CNCc1sccc1Br WXDL_WXCD00610088_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 668 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611001_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 669 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611199_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 670 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611670_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 671 B9R1.33 CNCc1sccc1Br WXDL_WXCD00611671_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 672 B9R1.33 CNCc1sccc1Br WXDL_WXCD00905463_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 673 B9R1.33 CNCc1sccc1Br WXDL_WXCD01004270_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 674 B9R1.33 CNCc1sccc1Br WXDL_WXCD02002292_AN4223_QS0779 [0,2,0,0,0,0|0,1,0]=3 675 B9R1.33 CNCc1sccc1C WXDL_LN01985689_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 676 B9R1.33 CNCc1sccc1C WXDL_WXCD00610088_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 677 B9R1.33 CNCc1sccc1C WXDL_WXCD00611001_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 678 B9R1.33 CNCc1sccc1C WXDL_WXCD00611199_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 679 B9R1.33 CNCc1sccc1C WXDL_WXCD00611670_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 680 B9R1.33 CNCc1sccc1C WXDL_WXCD00611671_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 681 B9R1.33 CNCc1sccc1C WXDL_WXCD00905463_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 682 B9R1.33 CNCc1sccc1C WXDL_WXCD01004270_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 683 B9R1.33 CNCc1sccc1C WXDL_WXCD02002292_AN4223_QS0098 [0,2,0,0,0,0|0,1,0]=3 684 B9R1.33 CNCc1sccc1Cl WXDL_LN01985689_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 685 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00610088_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 686 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611001_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 687 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611199_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 688 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611670_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 689 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00611671_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 690 B9R1.33 CNCc1sccc1Cl WXDL_WXCD00905463_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 691 B9R1.33 CNCc1sccc1Cl WXDL_WXCD01004270_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 692 B9R1.33 CNCc1sccc1Cl WXDL_WXCD02002292_AN4223_QS0215 [0,2,0,0,0,0|0,1,0]=3 693 B9R1.33 CNCc1scnc1C WXDL_LN01985689_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 694 B9R1.33 CNCc1scnc1C WXDL_WXCD00610088_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 695 B9R1.33 CNCc1scnc1C WXDL_WXCD00611001_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 696 B9R1.33 CNCc1scnc1C WXDL_WXCD00611199_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 697 B9R1.33 CNCc1scnc1C WXDL_WXCD00611670_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 698 B9R1.33 CNCc1scnc1C WXDL_WXCD00611671_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 699 B9R1.33 CNCc1scnc1C WXDL_WXCD00905463_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 700 B9R1.33 CNCc1scnc1C WXDL_WXCD01004270_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 701 B9R1.33 CNCc1scnc1C WXDL_WXCD02002292_AN4223_QS0250 [0,2,0,0,0,0|1,1,0]=4 702 B9R1.33 CNCc1scnc1Cl WXDL_LN01985689_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 703 B9R1.33 CNCc1scnc1Cl WXDL_WXCD00610088_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 704 B9R1.33 CNCc1scnc1Cl WXDL_WXCD00611001_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 705 B9R1.33 CNCc1scnc1Cl WXDL_WXCD00611199_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 706 B9R1.33 CNCc1scnc1Cl WXDL_WXCD00611670_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 707 B9R1.33 CNCc1scnc1Cl WXDL_WXCD00611671_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 708 B9R1.33 CNCc1scnc1Cl WXDL_WXCD00905463_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 709 B9R1.33 CNCc1scnc1Cl WXDL_WXCD01004270_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4 710 B9R1.33 CNCc1scnc1Cl WXDL_WXCD02002292_AN4223_QS0470 [0,2,0,0,0,0|1,1,0]=4