0 B8R1.8 CNCc1ccc[nH]1 WXDL_LN01985689_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 1 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00610088_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 2 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611001_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 3 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611199_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 4 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611670_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 5 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00611671_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 6 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD00905463_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 7 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD01004270_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 8 B8R1.8 CNCc1ccc[nH]1 WXDL_WXCD02002292_AN4223_QS0096 [0,1,0,0,0,0|2,0,1]=4 9 B8R1.8 CNCc1cccs1 WXDL_LN01985689_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 10 B8R1.8 CNCc1cccs1 WXDL_WXCD00610088_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 11 B8R1.8 CNCc1cccs1 WXDL_WXCD00611001_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 12 B8R1.8 CNCc1cccs1 WXDL_WXCD00611199_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 13 B8R1.8 CNCc1cccs1 WXDL_WXCD00611670_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 14 B8R1.8 CNCc1cccs1 WXDL_WXCD00611671_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 15 B8R1.8 CNCc1cccs1 WXDL_WXCD00905463_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 16 B8R1.8 CNCc1cccs1 WXDL_WXCD01004270_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 17 B8R1.8 CNCc1cccs1 WXDL_WXCD02002292_AN4223_QS0097 [0,1,0,0,0,0|1,1,1]=4 18 B8R1.8 CNCc1cnco1 WXDL_LN01985689_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 19 B8R1.8 CNCc1cnco1 WXDL_WXCD00610088_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 20 B8R1.8 CNCc1cnco1 WXDL_WXCD00611001_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 21 B8R1.8 CNCc1cnco1 WXDL_WXCD00611199_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 22 B8R1.8 CNCc1cnco1 WXDL_WXCD00611670_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 23 B8R1.8 CNCc1cnco1 WXDL_WXCD00611671_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 24 B8R1.8 CNCc1cnco1 WXDL_WXCD00905463_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 25 B8R1.8 CNCc1cnco1 WXDL_WXCD01004270_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 26 B8R1.8 CNCc1cnco1 WXDL_WXCD02002292_AN4223_QS1170 [0,1,0,0,0,0|2,0,1]=4 27 B8R1.8 CNCc1ncco1 WXDL_LN01985689_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 28 B8R1.8 CNCc1ncco1 WXDL_WXCD00610088_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 29 B8R1.8 CNCc1ncco1 WXDL_WXCD00611001_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.8 CNCc1ncco1 WXDL_WXCD00611199_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 31 B8R1.8 CNCc1ncco1 WXDL_WXCD00611670_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 32 B8R1.8 CNCc1ncco1 WXDL_WXCD00611671_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 33 B8R1.8 CNCc1ncco1 WXDL_WXCD00905463_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 34 B8R1.8 CNCc1ncco1 WXDL_WXCD01004270_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 35 B8R1.8 CNCc1ncco1 WXDL_WXCD02002292_AN4223_QS1188 [0,1,0,0,0,0|2,0,1]=4 36 B8R1.2 CNc1ccncn1 WXDL_LN01985689_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 37 B8R1.2 CNc1ccncn1 WXDL_WXCD00610088_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 38 B8R1.2 CNc1ccncn1 WXDL_WXCD00611001_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 39 B8R1.2 CNc1ccncn1 WXDL_WXCD00611199_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 40 B8R1.2 CNc1ccncn1 WXDL_WXCD00611670_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 41 B8R1.2 CNc1ccncn1 WXDL_WXCD00611671_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 42 B8R1.2 CNc1ccncn1 WXDL_WXCD00905463_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 43 B8R1.2 CNc1ccncn1 WXDL_WXCD01004270_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 44 B8R1.2 CNc1ccncn1 WXDL_WXCD02002292_AN4223_LP3358 [0,0,0,0,0,1|3,0,0]=4 45 B8R1.2 CNc1ncccn1 WXDL_LN01985689_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 46 B8R1.2 CNc1ncccn1 WXDL_WXCD00610088_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 47 B8R1.2 CNc1ncccn1 WXDL_WXCD00611001_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 48 B8R1.2 CNc1ncccn1 WXDL_WXCD00611199_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 49 B8R1.2 CNc1ncccn1 WXDL_WXCD00611670_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 50 B8R1.2 CNc1ncccn1 WXDL_WXCD00611671_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 51 B8R1.2 CNc1ncccn1 WXDL_WXCD00905463_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 52 B8R1.2 CNc1ncccn1 WXDL_WXCD01004270_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 53 B8R1.2 CNc1ncccn1 WXDL_WXCD02002292_AN4223_LP0002 [0,0,0,0,0,1|3,0,0]=4 54 B9R1.7 CNCc1cc(co1)Br WXDL_LN01985689_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 55 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00610088_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 56 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611001_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 57 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611199_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 58 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611670_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 59 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00611671_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 60 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD00905463_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 61 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD01004270_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 62 B9R1.7 CNCc1cc(co1)Br WXDL_WXCD02002292_AN4223_QS1888 [0,2,0,0,0,0|1,0,1]=4 63 B9R1.7 CNCc1ccc(o1)Br WXDL_LN01985689_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 64 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00610088_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 65 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611001_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 66 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611199_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 67 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611670_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 68 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00611671_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 69 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD00905463_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 70 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD01004270_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 71 B9R1.7 CNCc1ccc(o1)Br WXDL_WXCD02002292_AN4223_QS0666 [0,2,0,0,0,0|1,0,1]=4 72 B9R1.7 CNCc1ccc(o1)C WXDL_LN01985689_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 73 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00610088_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 74 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611001_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 75 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611199_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 76 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611670_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 77 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00611671_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 78 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD00905463_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 79 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD01004270_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 80 B9R1.7 CNCc1ccc(o1)C WXDL_WXCD02002292_AN4223_QS0017 [0,2,0,0,0,0|1,0,1]=4 81 B9R1.7 CNCc1ccc(o1)Cl WXDL_LN01985689_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 82 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00610088_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 83 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611001_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 84 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611199_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 85 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611670_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 86 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00611671_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 87 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD00905463_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 88 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD01004270_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 89 B9R1.7 CNCc1ccc(o1)Cl WXDL_WXCD02002292_AN4223_QS2045 [0,2,0,0,0,0|1,0,1]=4 90 B9R1.7 CNCc1ccc(o1)I WXDL_LN01985689_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 91 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00610088_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 92 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611001_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 93 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611199_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 94 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611670_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 95 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00611671_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 96 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD00905463_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 97 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD01004270_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 98 B9R1.7 CNCc1ccc(o1)I WXDL_WXCD02002292_AN4223_QS0665 [0,2,0,0,0,0|1,0,1]=4 99 B9R1.33 CNCc1occc1Br WXDL_LN01985689_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 100 B9R1.33 CNCc1occc1Br WXDL_WXCD00610088_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 101 B9R1.33 CNCc1occc1Br WXDL_WXCD00611001_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 102 B9R1.33 CNCc1occc1Br WXDL_WXCD00611199_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 103 B9R1.33 CNCc1occc1Br WXDL_WXCD00611670_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 104 B9R1.33 CNCc1occc1Br WXDL_WXCD00611671_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 105 B9R1.33 CNCc1occc1Br WXDL_WXCD00905463_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 106 B9R1.33 CNCc1occc1Br WXDL_WXCD01004270_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4 107 B9R1.33 CNCc1occc1Br WXDL_WXCD02002292_AN4223_QS1403 [0,2,0,0,0,0|1,0,1]=4