0 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_LN01985689_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 1 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00610088_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 2 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611001_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 3 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611199_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 4 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611670_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 5 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00611671_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 6 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD00905463_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 7 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD01004270_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 8 B13R1.354 CNCc1cc(ccc1C)C(=O)O WXDL_WXCD02002292_AN4223_QS2368 [0,1,0,0,0,0|2,0,0]=3 9 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_LN01985689_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 10 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00610088_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 11 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611001_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 12 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611199_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 13 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611670_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 14 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00611671_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 15 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD00905463_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 16 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD01004270_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 17 B13R1.354 CNCc1cc(ccc1F)C(=O)O WXDL_WXCD02002292_AN4223_QS1543 [0,1,0,0,0,0|2,0,0]=3 18 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_LN01985689_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 19 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00610088_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 20 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611001_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 21 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611199_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 22 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611670_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 23 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00611671_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 24 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD00905463_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 25 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD01004270_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 26 B13R1.354 CNCc1cc(ccc1O)C(=O)O WXDL_WXCD02002292_AN4223_QS1569 [0,1,0,0,0,0|1,0,0]=2 27 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_LN01985689_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 28 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00610088_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 29 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611001_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 30 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611199_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 31 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611670_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 32 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00611671_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 33 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD00905463_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 34 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD01004270_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 35 B13R1.354 CNCc1cc(ccc1O)[N+](=O)[O-] WXDL_WXCD02002292_AN4223_QS1642 [0,1,0,0,0,0|2,0,1]=4 36 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_LN01985689_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 37 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD00610088_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 38 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD00611001_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 39 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD00611199_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 40 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD00611670_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 41 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD00611671_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 42 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD00905463_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 43 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD01004270_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 44 B12R1.279 CNCc1cccc(c1)C(=O)N WXDL_WXCD02002292_AN4223_QS2553 [1,1,0,0,0,0|2,0,0]=4 45 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_LN01985689_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 46 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD00610088_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 47 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD00611001_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 48 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD00611199_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 49 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD00611670_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 50 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD00611671_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 51 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD00905463_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 52 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD01004270_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 53 B12R1.279 CNCc1cccc(c1)C(=O)O WXDL_WXCD02002292_AN4223_QS0422 [1,1,0,0,0,0|1,0,0]=3 54 B12R1.270 CNCc1cc(ccc1O)CO WXDL_LN01985689_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 55 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00610088_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 56 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611001_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 57 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611199_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 58 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611670_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 59 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00611671_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 60 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD00905463_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 61 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD01004270_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 62 B12R1.270 CNCc1cc(ccc1O)CO WXDL_WXCD02002292_AN4223_QS4934 [1,1,0,0,0,0|1,0,1]=4 63 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_LN01985689_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 64 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00610088_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 65 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611001_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 66 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611199_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 67 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611670_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 68 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00611671_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 69 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD00905463_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 70 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD01004270_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 71 B12R1.286 CNCc1ccc(c(c1)OC)O WXDL_WXCD02002292_AN4223_QS0112 [1,1,0,0,0,0|1,0,1]=4 72 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_LN01985689_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 73 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD00610088_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 74 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD00611001_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 75 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD00611199_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 76 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD00611670_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 77 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD00611671_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 78 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD00905463_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 79 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD01004270_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 80 B14R1.436 CNCc1cc(ccc1Br)C(=O)OC WXDL_WXCD02002292_AN4223_QS2501 [0,2,0,0,0,0|2,0,0]=4 81 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_LN01985689_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 82 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD00610088_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 83 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD00611001_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 84 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD00611199_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 85 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD00611670_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 86 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD00611671_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 87 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD00905463_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 88 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD01004270_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 89 B14R1.436 CNCc1cc(ccc1F)C(=O)OC WXDL_WXCD02002292_AN4223_QS4333 [0,2,0,0,0,0|2,0,0]=4 90 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_LN01985689_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 91 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD00610088_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 92 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD00611001_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 93 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD00611199_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 94 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD00611670_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 95 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD00611671_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 96 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD00905463_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 97 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD01004270_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 98 B14R1.436 CNCc1cc(ccc1O)C(=O)CBr WXDL_WXCD02002292_AN4223_QS1542 [0,2,0,0,0,0|2,0,0]=4 99 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_LN01985689_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 100 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD00610088_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 101 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD00611001_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 102 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD00611199_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 103 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD00611670_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 104 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD00611671_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 105 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD00905463_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 106 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD01004270_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 107 B14R1.436 CNCc1cc(ccc1O)C(=O)OC WXDL_WXCD02002292_AN4223_QS0377 [0,2,0,0,0,0|1,0,0]=3 108 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_LN01985689_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 109 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD00610088_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 110 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD00611001_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 111 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD00611199_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 112 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD00611670_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 113 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD00611671_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 114 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD00905463_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 115 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD01004270_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3 116 B14R1.441 CNCc1cc(ccc1OC)C(=O)O WXDL_WXCD02002292_AN4223_QS2312 [0,2,0,0,0,0|1,0,0]=3