0 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_LN01985689_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 1 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD00610088_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 2 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD00611001_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 3 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD00611199_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 4 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD00611670_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 5 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD00611671_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 6 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD00905463_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 7 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD01004270_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 8 B12R1.270 CNCc1cc(ccc1O)C#N WXDL_WXCD02002292_AN4223_QS1846 [0,1,0,0,0,0|2,0,1]=4 9 B12R1.270 CNCc1cc(ccc1O)CO WXDL_LN01985689_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 10 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00610088_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 11 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611001_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 12 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611199_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 13 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611670_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 14 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611671_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 15 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00905463_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 16 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD01004270_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 17 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD02002292_AN4223_QS4934 [0,1,0,0,0,0|1,0,2]=4 18 B12R1.270 CNCc1cc(ccc1O)OC WXDL_LN01985689_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 19 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD00610088_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 20 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD00611001_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 21 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD00611199_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 22 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD00611670_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 23 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD00611671_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 24 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD00905463_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 25 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD01004270_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 26 B12R1.270 CNCc1cc(ccc1O)OC WXDL_WXCD02002292_AN4223_QS0046 [0,1,0,0,0,0|3,0,0]=4 27 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_LN01985689_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 28 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD00610088_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 29 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD00611001_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 30 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD00611199_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 31 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD00611670_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 32 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD00611671_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 33 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD00905463_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 34 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD01004270_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 35 B12R1.286 CNCc1ccc(c(c1)OC)Br WXDL_WXCD02002292_AN4223_QS1492 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_LN01985689_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 37 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD00610088_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 38 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD00611001_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 39 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD00611199_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 40 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD00611670_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 41 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD00611671_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 42 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD00905463_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 43 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD01004270_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 44 B12R1.286 CNCc1ccc(c(c1)OC)C WXDL_WXCD02002292_AN4223_QS0989 [0,1,0,0,0,0|2,0,1]=4 45 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_LN01985689_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 46 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD00610088_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 47 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD00611001_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 48 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD00611199_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 49 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD00611670_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 50 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD00611671_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 51 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD00905463_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 52 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD01004270_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 53 B12R1.286 CNCc1ccc(c(c1)OC)Cl WXDL_WXCD02002292_AN4223_QS0861 [0,1,0,0,0,0|2,0,1]=4 54 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_LN01985689_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 55 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD00610088_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 56 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD00611001_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 57 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD00611199_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 58 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD00611670_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 59 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD00611671_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 60 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD00905463_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 61 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD01004270_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 62 B12R1.286 CNCc1ccc(c(c1)OC)F WXDL_WXCD02002292_AN4223_QS0191 [0,1,0,0,0,0|2,0,1]=4 63 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_LN01985689_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 64 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD00610088_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 65 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD00611001_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 66 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD00611199_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 67 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD00611670_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 68 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD00611671_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 69 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD00905463_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 70 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD01004270_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 71 B12R1.286 CNCc1ccc(c(c1)OC)I WXDL_WXCD02002292_AN4223_QS2373 [0,1,0,0,0,0|2,0,1]=4 72 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_LN01985689_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 73 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00610088_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 74 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611001_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 75 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611199_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 76 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611670_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 77 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611671_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 78 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00905463_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 79 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD01004270_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 80 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD02002292_AN4223_QS0112 [0,1,0,0,0,0|1,0,1]=3 81 B11R1.182 CNCc1cc(ccc1O)Br WXDL_LN01985689_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 82 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD00610088_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 83 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD00611001_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 84 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD00611199_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 85 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD00611670_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 86 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD00611671_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 87 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD00905463_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 88 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD01004270_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 89 B11R1.182 CNCc1cc(ccc1O)Br WXDL_WXCD02002292_AN4223_QS0044 [1,1,0,0,0,0|2,0,0]=4 90 B11R1.182 CNCc1cc(ccc1O)C WXDL_LN01985689_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 91 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD00610088_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 92 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD00611001_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 93 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD00611199_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 94 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD00611670_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 95 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD00611671_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 96 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD00905463_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 97 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD01004270_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 98 B11R1.182 CNCc1cc(ccc1O)C WXDL_WXCD02002292_AN4223_QS1103 [1,1,0,0,0,0|1,0,1]=4 99 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_LN01985689_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 100 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD00610088_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 101 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD00611001_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 102 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD00611199_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 103 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD00611670_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 104 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD00611671_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 105 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD00905463_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 106 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD01004270_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 107 B11R1.182 CNCc1cc(ccc1O)Cl WXDL_WXCD02002292_AN4223_QS0045 [1,1,0,0,0,0|2,0,0]=4 108 B11R1.182 CNCc1cc(ccc1O)F WXDL_LN01985689_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 109 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD00610088_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 110 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD00611001_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 111 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD00611199_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 112 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD00611670_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 113 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD00611671_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 114 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD00905463_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 115 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD01004270_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 116 B11R1.182 CNCc1cc(ccc1O)F WXDL_WXCD02002292_AN4223_QS0961 [1,1,0,0,0,0|2,0,0]=4 117 B11R1.182 CNCc1cc(ccc1O)I WXDL_LN01985689_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 118 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD00610088_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 119 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD00611001_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 120 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD00611199_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 121 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD00611670_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 122 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD00611671_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 123 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD00905463_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 124 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD01004270_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 125 B11R1.182 CNCc1cc(ccc1O)I WXDL_WXCD02002292_AN4223_QS0915 [1,1,0,0,0,0|2,0,0]=4 126 B11R1.182 CNCc1cc(ccc1O)O WXDL_LN01985689_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 127 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD00610088_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 128 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD00611001_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 129 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD00611199_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 130 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD00611670_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 131 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD00611671_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 132 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD00905463_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 133 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD01004270_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 134 B11R1.182 CNCc1cc(ccc1O)O WXDL_WXCD02002292_AN4223_QS1218 [1,1,0,0,0,0|1,0,1]=4 135 B11R1.189 C=Cc1cccc(c1)CNC WXDL_LN01985689_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 136 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD00610088_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 137 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD00611001_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 138 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD00611199_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 139 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD00611670_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 140 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD00611671_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 141 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD00905463_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 142 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD01004270_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 143 B11R1.189 C=Cc1cccc(c1)CNC WXDL_WXCD02002292_AN4223_QS1816 [1,1,0,0,0,0|2,0,0]=4 144 B11R1.189 CNCc1cccc(c1)OC WXDL_LN01985689_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 145 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD00610088_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 146 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD00611001_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 147 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD00611199_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 148 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD00611670_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 149 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD00611671_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 150 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD00905463_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 151 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD01004270_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 152 B11R1.189 CNCc1cccc(c1)OC WXDL_WXCD02002292_AN4223_QS0065 [1,1,0,0,0,0|1,0,1]=4 153 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_LN01985689_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 154 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD00610088_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 155 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD00611001_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 156 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD00611199_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 157 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD00611670_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 158 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD00611671_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 159 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD00905463_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 160 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD01004270_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 161 B11R1.192 CNCc1ccc(c(c1)C)O WXDL_WXCD02002292_AN4223_QS1094 [1,1,0,0,0,0|1,0,1]=4 162 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_LN01985689_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 163 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD00610088_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 164 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD00611001_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 165 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD00611199_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 166 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD00611670_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 167 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD00611671_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 168 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD00905463_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 169 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD01004270_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 170 B11R1.192 CNCc1ccc(c(c1)O)O WXDL_WXCD02002292_AN4223_QS0073 [1,1,0,0,0,0|1,0,1]=4 171 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_LN01985689_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 172 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00610088_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 173 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611001_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 174 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611199_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 175 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611670_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 176 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611671_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 177 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00905463_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 178 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD01004270_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 179 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD02002292_AN4223_QS2368 [0,2,0,0,0,0|2,0,0]=4 180 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_LN01985689_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 181 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00610088_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 182 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611001_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 183 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611199_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 184 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611670_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 185 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611671_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 186 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00905463_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 187 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD01004270_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 188 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD02002292_AN4223_QS1543 [0,2,0,0,0,0|2,0,0]=4 189 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_LN01985689_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 190 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00610088_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 191 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611001_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 192 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611199_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 193 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611670_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 194 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611671_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 195 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00905463_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 196 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD01004270_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 197 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD02002292_AN4223_QS1569 [0,2,0,0,0,0|1,0,0]=3 198 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_LN01985689_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 199 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00610088_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 200 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611001_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 201 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611199_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 202 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611670_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 203 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611671_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 204 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00905463_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 205 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD01004270_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 206 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD02002292_AN4223_QS1642 [0,2,0,0,0,0|2,0,0]=4 207 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_LN01985689_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 208 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD00610088_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 209 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD00611001_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 210 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD00611199_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 211 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD00611670_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 212 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD00611671_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 213 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD00905463_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 214 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD01004270_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 215 B13R1.386 CNCc1ccc(c(c1)OC)OC WXDL_WXCD02002292_AN4223_QS0067 [0,2,0,0,0,0|1,0,1]=4 216 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_LN01985689_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 217 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD00610088_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 218 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD00611001_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 219 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD00611199_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 220 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD00611670_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 221 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD00611671_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 222 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD00905463_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 223 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD01004270_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 224 B13R1.384 CCOc1cc(ccc1O)CNC WXDL_WXCD02002292_AN4223_QS0114 [0,2,0,0,0,0|1,0,1]=4 225 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_LN01985689_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 226 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD00610088_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 227 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD00611001_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 228 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD00611199_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 229 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD00611670_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 230 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD00611671_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 231 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD00905463_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 232 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD01004270_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 233 B13R1.2900 CNCc1cc(c(cc1Br)O)OC WXDL_WXCD02002292_AN4223_QS1546 [0,2,0,0,0,0|1,0,1]=4 234 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_LN01985689_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 235 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD00610088_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 236 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD00611001_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 237 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD00611199_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 238 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD00611670_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 239 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD00611671_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 240 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD00905463_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 241 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD01004270_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 242 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Br WXDL_WXCD02002292_AN4223_QS0110 [0,2,0,0,0,0|1,0,1]=4 243 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_LN01985689_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 244 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD00610088_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 245 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD00611001_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 246 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD00611199_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 247 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD00611670_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 248 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD00611671_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 249 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD00905463_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 250 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD01004270_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 251 B13R1.4030 CNCc1cc(c(c(c1)OC)O)Cl WXDL_WXCD02002292_AN4223_QS3195 [0,2,0,0,0,0|1,0,1]=4 252 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_LN01985689_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 253 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD00610088_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 254 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD00611001_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 255 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD00611199_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 256 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD00611670_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 257 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD00611671_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 258 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD00905463_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 259 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD01004270_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 260 B13R1.4030 CNCc1cc(c(c(c1)OC)O)F WXDL_WXCD02002292_AN4223_QS0288 [0,2,0,0,0,0|1,0,1]=4 261 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_LN01985689_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 262 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD00610088_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 263 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD00611001_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 264 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD00611199_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 265 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD00611670_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 266 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD00611671_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 267 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD00905463_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 268 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD01004270_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 269 B13R1.4030 CNCc1cc(c(c(c1)OC)O)I WXDL_WXCD02002292_AN4223_QS0111 [0,2,0,0,0,0|1,0,1]=4 270 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_LN01985689_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 271 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD00610088_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 272 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD00611001_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 273 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD00611199_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 274 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD00611670_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 275 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD00611671_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 276 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD00905463_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 277 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD01004270_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4 278 B13R1.4030 CNCc1cc(c(c(c1)OC)O)O WXDL_WXCD02002292_AN4223_QS0149 [0,2,0,0,0,0|1,0,1]=4