0 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_LN01985689_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 1 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD00610088_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 2 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD00611001_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 3 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD00611199_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 4 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD00611670_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 5 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD00611671_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 6 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD00905463_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 7 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD01004270_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 8 B14R2.44 CNCc1[nH]c2ccccc2c1C WXDL_WXCD02002292_AN4223_QS0566 [0,0,1,0,0,0|2,0,0]=3 9 B14R2.44 CNCc1oc2ccccc2c1C WXDL_LN01985689_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 10 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD00610088_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 11 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD00611001_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 12 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD00611199_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 13 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD00611670_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 14 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD00611671_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 15 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD00905463_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 16 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD01004270_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 17 B14R2.44 CNCc1oc2ccccc2c1C WXDL_WXCD02002292_AN4223_QS5029 [0,0,1,0,0,0|3,0,0]=4 18 B14R2.44 CNCc1sc2ccccc2c1C WXDL_LN01985689_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 19 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD00610088_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 20 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD00611001_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 21 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD00611199_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 22 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD00611670_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 23 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD00611671_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 24 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD00905463_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 25 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD01004270_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 26 B14R2.44 CNCc1sc2ccccc2c1C WXDL_WXCD02002292_AN4223_QS0579 [0,0,1,0,0,0|3,0,0]=4 27 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_LN01985689_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 28 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD00610088_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 29 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD00611001_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 30 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD00611199_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 31 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD00611670_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 32 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD00611671_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 33 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD00905463_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 34 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD01004270_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 35 B14R2.517 CNCc1c([nH]c2c1cccc2)C WXDL_WXCD02002292_AN4223_QS0139 [0,0,1,0,0,0|0,0,0]=1 36 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_LN01985689_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 37 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD00610088_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 38 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD00611001_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 39 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD00611199_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 40 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD00611670_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 41 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD00611671_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 42 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD00905463_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 43 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD01004270_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 44 B14R2.517 CNCc1c([nH]c2c1cccc2)Cl WXDL_WXCD02002292_AN4223_QS0624 [0,0,1,0,0,0|1,0,0]=2 45 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_LN01985689_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 46 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD00610088_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 47 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD00611001_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 48 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD00611199_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 49 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD00611670_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 50 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD00611671_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 51 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD00905463_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 52 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD01004270_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 53 B13R2.1 CNCc1[nH]nc2c1cccc2 WXDL_WXCD02002292_AN4223_QS0390 [1,0,1,0,0,0|1,0,1]=4 54 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_LN01985689_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 55 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD00610088_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 56 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD00611001_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 57 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD00611199_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 58 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD00611670_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 59 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD00611671_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 60 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD00905463_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 61 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD01004270_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 62 B13R2.1 CNCc1c[nH]c2c1cccc2 WXDL_WXCD02002292_AN4223_QS0102 [1,0,1,0,0,0|0,0,0]=2 63 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_LN01985689_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 64 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD00610088_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 65 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD00611001_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 66 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD00611199_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 67 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD00611670_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 68 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD00611671_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 69 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD00905463_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 70 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD01004270_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 71 B13R2.1 CNCc1c[nH]c2c1cccn2 WXDL_WXCD02002292_AN4223_QS0396 [1,0,1,0,0,0|1,0,0]=3 72 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_LN01985689_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 73 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD00610088_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 74 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD00611001_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 75 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD00611199_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 76 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD00611670_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 77 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD00611671_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 78 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD00905463_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 79 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD01004270_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 80 B13R2.1 CNCc1c[nH]c2c1ccnc2 WXDL_WXCD02002292_AN4223_QS1559 [1,0,1,0,0,0|1,0,0]=3 81 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_LN01985689_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 82 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD00610088_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 83 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD00611001_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 84 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD00611199_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 85 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD00611670_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 86 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD00611671_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 87 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD00905463_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 88 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD01004270_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 89 B13R2.1 CNCc1c[nH]c2c1cncc2 WXDL_WXCD02002292_AN4223_QS1145 [1,0,1,0,0,0|1,0,0]=3 90 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_LN01985689_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 91 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD00610088_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 92 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD00611001_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 93 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD00611199_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 94 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD00611670_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 95 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD00611671_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 96 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD00905463_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 97 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD01004270_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 98 B13R2.1 CNCc1c[nH]c2c1nccc2 WXDL_WXCD02002292_AN4223_QS1552 [1,0,1,0,0,0|1,0,0]=3 99 B13R2.1 CNCc1cnc2n1cccc2 WXDL_LN01985689_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 100 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD00610088_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 101 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD00611001_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 102 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD00611199_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 103 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD00611670_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 104 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD00611671_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 105 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD00905463_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 106 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD01004270_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 107 B13R2.1 CNCc1cnc2n1cccc2 WXDL_WXCD02002292_AN4223_QS0009 [1,0,1,0,0,0|1,0,1]=4 108 B13R2.1 CNCc1coc2c1cccc2 WXDL_LN01985689_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 109 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD00610088_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 110 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD00611001_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 111 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD00611199_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 112 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD00611670_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 113 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD00611671_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 114 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD00905463_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 115 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD01004270_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 116 B13R2.1 CNCc1coc2c1cccc2 WXDL_WXCD02002292_AN4223_QS1140 [1,0,1,0,0,0|1,0,0]=3 117 B13R2.1 CNCc1csc2c1cccc2 WXDL_LN01985689_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 118 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD00610088_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 119 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD00611001_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 120 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD00611199_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 121 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD00611670_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 122 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD00611671_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 123 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD00905463_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 124 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD01004270_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 125 B13R2.1 CNCc1csc2c1cccc2 WXDL_WXCD02002292_AN4223_QS1106 [1,0,1,0,0,0|1,0,0]=3 126 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_LN01985689_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 127 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD00610088_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 128 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD00611001_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 129 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD00611199_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 130 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD00611670_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 131 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD00611671_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 132 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD00905463_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 133 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD01004270_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 134 B13R2.26 CNCc1cc2ccccc2[nH]1 WXDL_WXCD02002292_AN4223_QS0387 [1,0,1,0,0,0|0,0,0]=2 135 B13R2.26 CNCc1cc2ccccc2o1 WXDL_LN01985689_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 136 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD00610088_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 137 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD00611001_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 138 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD00611199_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 139 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD00611670_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 140 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD00611671_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 141 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD00905463_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 142 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD01004270_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 143 B13R2.26 CNCc1cc2ccccc2o1 WXDL_WXCD02002292_AN4223_QS0710 [1,0,1,0,0,0|1,0,0]=3 144 B13R2.26 CNCc1cc2ccccc2s1 WXDL_LN01985689_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 145 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD00610088_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 146 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD00611001_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 147 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD00611199_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 148 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD00611670_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 149 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD00611671_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 150 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD00905463_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 151 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD01004270_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 152 B13R2.26 CNCc1cc2ccccc2s1 WXDL_WXCD02002292_AN4223_QS0452 [1,0,1,0,0,0|1,0,0]=3 153 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_LN01985689_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 154 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD00610088_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 155 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD00611001_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 156 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD00611199_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 157 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD00611670_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 158 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD00611671_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 159 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD00905463_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 160 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD01004270_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 161 B13R2.26 CNCc1cc2cccnc2[nH]1 WXDL_WXCD02002292_AN4223_QS1410 [1,0,1,0,0,0|1,0,0]=3 162 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_LN01985689_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 163 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD00610088_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 164 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD00611001_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 165 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD00611199_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 166 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD00611670_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 167 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD00611671_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 168 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD00905463_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 169 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD01004270_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 170 B13R2.26 CNCc1cc2ccncc2[nH]1 WXDL_WXCD02002292_AN4223_QS1707 [1,0,1,0,0,0|1,0,0]=3 171 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_LN01985689_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 172 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD00610088_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 173 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD00611001_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 174 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD00611199_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 175 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD00611670_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 176 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD00611671_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 177 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD00905463_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 178 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD01004270_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 179 B13R2.26 CNCc1cc2cnccc2[nH]1 WXDL_WXCD02002292_AN4223_QS1689 [1,0,1,0,0,0|1,0,0]=3 180 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_LN01985689_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 181 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD00610088_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 182 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD00611001_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 183 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD00611199_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 184 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD00611670_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 185 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD00611671_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 186 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD00905463_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 187 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD01004270_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 188 B13R2.26 CNCc1cc2ncccc2[nH]1 WXDL_WXCD02002292_AN4223_QS1700 [1,0,1,0,0,0|1,0,0]=3 189 B13R2.26 CNCc1cc2ncccc2o1 WXDL_LN01985689_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 190 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD00610088_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 191 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD00611001_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 192 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD00611199_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 193 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD00611670_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 194 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD00611671_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 195 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD00905463_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 196 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD01004270_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 197 B13R2.26 CNCc1cc2ncccc2o1 WXDL_WXCD02002292_AN4223_QS4183 [1,0,1,0,0,0|2,0,0]=4 198 B13R2.26 CNCc1cn2ccccc2n1 WXDL_LN01985689_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 199 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD00610088_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 200 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD00611001_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 201 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD00611199_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 202 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD00611670_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 203 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD00611671_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 204 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD00905463_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 205 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD01004270_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 206 B13R2.26 CNCc1cn2ccccc2n1 WXDL_WXCD02002292_AN4223_QS0333 [1,0,1,0,0,0|1,0,1]=4 207 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_LN01985689_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 208 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD00610088_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 209 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD00611001_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 210 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD00611199_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 211 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD00611670_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 212 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD00611671_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 213 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD00905463_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 214 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD01004270_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 215 B13R2.26 CNCc1nc2ccccc2[nH]1 WXDL_WXCD02002292_AN4223_QS0203 [1,0,1,0,0,0|1,0,0]=3 216 B13R2.26 CNCc1nc2ccccc2s1 WXDL_LN01985689_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 217 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD00610088_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 218 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD00611001_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 219 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD00611199_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 220 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD00611670_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 221 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD00611671_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 222 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD00905463_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 223 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD01004270_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 224 B13R2.26 CNCc1nc2ccccc2s1 WXDL_WXCD02002292_AN4223_QS0341 [1,0,1,0,0,0|1,0,1]=4 225 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_LN01985689_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 226 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD00610088_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 227 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD00611001_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 228 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD00611199_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 229 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD00611670_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 230 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD00611671_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 231 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD00905463_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 232 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD01004270_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 233 B15R2.56717 CNCc1c2cc(ccc2nn1C)Br WXDL_WXCD02002292_AN4223_QS1112 [0,1,1,0,0,0|1,0,1]=4 234 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_LN01985689_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 235 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD00610088_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 236 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD00611001_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 237 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD00611199_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 238 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD00611670_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 239 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD00611671_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 240 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD00905463_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 241 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD01004270_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 242 B15R2.4392 CNCc1cc(cc2c1cccc2)O WXDL_WXCD02002292_AN4223_QS2372 [0,0,1,0,0,1|2,0,0]=4 243 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_LN01985689_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 244 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD00610088_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 245 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD00611001_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 246 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD00611199_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 247 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD00611670_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 248 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD00611671_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 249 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD00905463_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 250 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD01004270_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 251 B15R2.9941 CNCc1c(ccc2c1cccc2)Br WXDL_WXCD02002292_AN4223_QS1292 [0,0,1,0,0,1|2,0,0]=4 252 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_LN01985689_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 253 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD00610088_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 254 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD00611001_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 255 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD00611199_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 256 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD00611670_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 257 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD00611671_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 258 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD00905463_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 259 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD01004270_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4 260 B15R2.9941 CNCc1c(ccc2c1cccc2)O WXDL_WXCD02002292_AN4223_QS1579 [0,0,1,0,0,1|2,0,0]=4