0 B21R3.24473 O=C(Nc1ccn[nH]1)c2cc(n[nH]2)c3ccccc3 WXDL_WXCD00191766_BT0919_AF0122 [0,0,1,0,0,0|3,0,0]=4 1 B21R3.24473 O=C(Nc1ccn[nH]1)c2cc(n[nH]2)c3ccccc3 WXDL_WXCD00191766_BT1115_AF0122 [0,0,1,0,0,0|3,0,0]=4 2 B21R3.24473 O=C(Nc1ccn[nH]1)c2cc(n[nH]2)c3ccccc3 WXDL_WXCD00191766_BT2957_AF0122 [0,0,1,0,0,0|3,0,0]=4 3 B21R3.24473 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0122 [0,0,1,0,0,0|2,0,0]=3 4 B21R3.24473 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0122 [0,0,1,0,0,0|2,0,0]=3 5 B21R3.24473 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0122 [0,0,1,0,0,0|2,0,0]=3 6 B21R3.24473 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccccn3 WXDL_WXCD00614040_BT0164_AF0122 [0,0,1,0,0,0|3,0,0]=4 7 B21R3.24473 O=C(Nc1ccn[nH]1)c2csc(n2)c3cccnc3 WXDL_WXCD00614040_BT1208_AF0122 [0,0,1,0,0,0|3,0,0]=4 8 B21R3.24473 O=C(Nc1ccn[nH]1)c2csc(n2)c3cccnc3 WXDL_WXCD00614040_BT3912_AF0122 [0,0,1,0,0,0|3,0,0]=4 9 B21R3.24473 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccncc3 WXDL_WXCD00614040_BT0574_AF0122 [0,0,1,0,0,0|3,0,0]=4 10 B21R3.24473 O=C(Nc1ccn[nH]1)c2nc(cs2)c3ccccc3 WXDL_WXCD00904104_BT0919_AF0122 [0,0,1,0,0,0|3,0,0]=4 11 B21R3.24473 O=C(Nc1ccn[nH]1)c2nc(cs2)c3ccccc3 WXDL_WXCD00904104_BT1115_AF0122 [0,0,1,0,0,0|3,0,0]=4 12 B21R3.24473 O=C(Nc1ccn[nH]1)c2nc(cs2)c3ccccc3 WXDL_WXCD00904104_BT2957_AF0122 [0,0,1,0,0,0|3,0,0]=4 13 B21R3.24473 O=C(Nc1ccno1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0588 [0,0,1,0,0,0|3,0,0]=4 14 B21R3.24473 O=C(Nc1ccno1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0588 [0,0,1,0,0,0|3,0,0]=4 15 B21R3.24473 O=C(Nc1ccno1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0588 [0,0,1,0,0,0|3,0,0]=4 16 B21R3.24473 O=C(Nc1ccns1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF00325 [0,0,1,0,0,0|3,0,0]=4 17 B21R3.24473 O=C(Nc1ccns1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF00325 [0,0,1,0,0,0|3,0,0]=4 18 B21R3.24473 O=C(Nc1ccns1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF00325 [0,0,1,0,0,0|3,0,0]=4 19 B22R3.10639 Cc1cc([nH]n1)NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0238 [0,1,1,0,0,0|2,0,0]=4 20 B22R3.10639 Cc1cc([nH]n1)NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0238 [0,1,1,0,0,0|2,0,0]=4 21 B22R3.10639 Cc1cc([nH]n1)NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0238 [0,1,1,0,0,0|2,0,0]=4 22 B22R3.10639 O=C(Nc1cc(n[nH]1)Br)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF4634 [0,1,1,0,0,0|2,0,0]=4 23 B22R3.10639 O=C(Nc1cc(n[nH]1)Br)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF4634 [0,1,1,0,0,0|2,0,0]=4 24 B22R3.10639 O=C(Nc1cc(n[nH]1)Br)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF4634 [0,1,1,0,0,0|2,0,0]=4 25 B22R3.10639 O=C(Nc1cc(n[nH]1)O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0232 [0,1,1,0,0,0|2,0,0]=4 26 B22R3.10639 O=C(Nc1cc(n[nH]1)O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0232 [0,1,1,0,0,0|2,0,0]=4 27 B22R3.10639 O=C(Nc1cc(n[nH]1)O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0232 [0,1,1,0,0,0|2,0,0]=4 28 B22R3.11031 Cc1ccc(cc1)c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT1573_AF0122 [0,1,1,0,0,0|2,0,0]=4 29 B22R3.11031 Cc1ccc(cc1)c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT3934_AF0122 [0,1,1,0,0,0|2,0,0]=4 30 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)F WXDL_WXCD00614040_BT0486_AF0122 [0,1,1,0,0,0|2,0,0]=4 31 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)F WXDL_WXCD00614040_BT0698_AF0122 [0,1,1,0,0,0|2,0,0]=4 32 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)F WXDL_WXCD00614040_BT2075_AF0122 [0,1,1,0,0,0|2,0,0]=4 33 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)I WXDL_WXCD00614040_BT1574_AF0122 [0,1,1,0,0,0|2,0,0]=4 34 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)O WXDL_WXCD00614040_BT0555_AF0122 [0,1,1,0,0,0|2,0,0]=4 35 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)O WXDL_WXCD00614040_BT0699_AF0122 [0,1,1,0,0,0|2,0,0]=4 36 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)O WXDL_WXCD00614040_BT2080_AF0122 [0,1,1,0,0,0|2,0,0]=4 37 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)O WXDL_WXCD00614040_BT4830_AF0122 [0,1,1,0,0,0|2,0,0]=4 38 B22R3.11031 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccc(cc3)O WXDL_WXCD00614040_BT7243_AF0122 [0,1,1,0,0,0|2,0,0]=4 39 B22R3.11614 Cc1cccc(c1)c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT0798_AF0122 [0,1,1,0,0,0|2,0,0]=4 40 B22R3.11614 Cc1cccc(c1)c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT9299_AF0122 [0,1,1,0,0,0|2,0,0]=4 41 B22R3.11614 O=C(Nc1ccn[nH]1)c2csc(n2)c3cccc(c3)F WXDL_WXCD00614040_BT1585_AF0122 [0,1,1,0,0,0|2,0,0]=4 42 B22R3.11614 O=C(Nc1ccn[nH]1)c2csc(n2)c3cccc(c3)O WXDL_WXCD00614040_BT2076_AF0122 [0,1,1,0,0,0|2,0,0]=4 43 B22R3.12928 Cc1cn[nH]c1NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0173 [0,1,1,0,0,0|2,0,0]=4 44 B22R3.12928 Cc1cn[nH]c1NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0173 [0,1,1,0,0,0|2,0,0]=4 45 B22R3.12928 Cc1cn[nH]c1NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0173 [0,1,1,0,0,0|2,0,0]=4 46 B22R3.12928 Cn1nccc1NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0198 [0,1,1,0,0,0|2,0,0]=4 47 B22R3.12928 Cn1nccc1NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0198 [0,1,1,0,0,0|2,0,0]=4 48 B22R3.12928 Cn1nccc1NC(=O)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0198 [0,1,1,0,0,0|2,0,0]=4 49 B22R3.12928 O=C(Nc1[nH]ncc1Br)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0131 [0,1,1,0,0,0|2,0,0]=4 50 B22R3.12928 O=C(Nc1[nH]ncc1Br)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0131 [0,1,1,0,0,0|2,0,0]=4 51 B22R3.12928 O=C(Nc1[nH]ncc1Br)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0131 [0,1,1,0,0,0|2,0,0]=4 52 B22R3.12928 O=C(Nc1[nH]ncc1I)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AF0239 [0,1,1,0,0,0|2,0,0]=4 53 B22R3.12928 O=C(Nc1[nH]ncc1I)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AF0239 [0,1,1,0,0,0|2,0,0]=4 54 B22R3.12928 O=C(Nc1[nH]ncc1I)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AF0239 [0,1,1,0,0,0|2,0,0]=4 55 B22R3.18429 Cc1ccccc1c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT1515_AF0122 [0,1,1,0,0,0|2,0,0]=4 56 B22R3.18429 Cc1ccccc1c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT4142_AF0122 [0,1,1,0,0,0|2,0,0]=4 57 B22R3.18429 Cc1ccccc1c2nc(cs2)C(=O)Nc3ccn[nH]3 WXDL_WXCD00614040_BT9252_AF0122 [0,1,1,0,0,0|2,0,0]=4 58 B22R3.18429 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccccc3F WXDL_WXCD00614040_BT1435_AF0122 [0,1,1,0,0,0|2,0,0]=4 59 B22R3.18429 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccccc3F WXDL_WXCD00614040_BT1901_AF0122 [0,1,1,0,0,0|2,0,0]=4 60 B22R3.18429 O=C(Nc1ccn[nH]1)c2csc(n2)c3ccccc3O WXDL_WXCD00614040_BT1646_AF0122 [0,1,1,0,0,0|2,0,0]=4 61 B22R3.231910 Cc1sc(nc1C(=O)Nc2ccn[nH]2)c3ccccc3 WXDL_WXCD02012886_BT0919_AF0122 [0,1,1,0,0,0|2,0,0]=4 62 B22R3.231910 Cc1sc(nc1C(=O)Nc2ccn[nH]2)c3ccccc3 WXDL_WXCD02012886_BT1115_AF0122 [0,1,1,0,0,0|2,0,0]=4 63 B22R3.231910 Cc1sc(nc1C(=O)Nc2ccn[nH]2)c3ccccc3 WXDL_WXCD02012886_BT2957_AF0122 [0,1,1,0,0,0|2,0,0]=4 64 B22R3.807 O=C(Nc1ccn[nH]1)c2ccc(cn2)c3ccccc3 WXDL_WXCD00900937_BT0919_AF0122 [0,0,1,0,0,1|2,0,0]=4 65 B22R3.807 O=C(Nc1ccn[nH]1)c2ccc(cn2)c3ccccc3 WXDL_WXCD00900937_BT1115_AF0122 [0,0,1,0,0,1|2,0,0]=4 66 B22R3.807 O=C(Nc1ccn[nH]1)c2ccc(cn2)c3ccccc3 WXDL_WXCD00900937_BT2957_AF0122 [0,0,1,0,0,1|2,0,0]=4 67 B22R3.807 O=C(Nc1ccn[nH]1)c2ccc(nn2)c3ccccc3 WXDL_WXCD00633109_BT0919_AF0122 [0,0,1,0,0,1|2,0,0]=4 68 B22R3.807 O=C(Nc1ccn[nH]1)c2ccc(nn2)c3ccccc3 WXDL_WXCD00633109_BT1115_AF0122 [0,0,1,0,0,1|2,0,0]=4 69 B22R3.807 O=C(Nc1ccn[nH]1)c2ccc(nn2)c3ccccc3 WXDL_WXCD00633109_BT2957_AF0122 [0,0,1,0,0,1|2,0,0]=4 70 B22R3.807 O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT0919_AF0122 [0,0,1,0,0,1|1,0,0]=3 71 B22R3.807 O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT1115_AF0122 [0,0,1,0,0,1|1,0,0]=3 72 B22R3.807 O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT2957_AF0122 [0,0,1,0,0,1|1,0,0]=3 73 B22R3.807 O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccccn3 WXDL_WXCD00633106_BT0164_AF0122 [0,0,1,0,0,1|2,0,0]=4 74 B22R3.807 O=C(Nc1ccn[nH]1)c2cnc(cn2)c3cccnc3 WXDL_WXCD00633106_BT1208_AF0122 [0,0,1,0,0,1|2,0,0]=4 75 B22R3.807 O=C(Nc1ccn[nH]1)c2cnc(cn2)c3cccnc3 WXDL_WXCD00633106_BT3912_AF0122 [0,0,1,0,0,1|2,0,0]=4 76 B22R3.807 O=C(Nc1ccn[nH]1)c2cnc(cn2)c3ccncc3 WXDL_WXCD00633106_BT0574_AF0122 [0,0,1,0,0,1|2,0,0]=4 77 B22R3.807 O=C(Nc1ccno1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT0919_AF0588 [0,0,1,0,0,1|2,0,0]=4 78 B22R3.807 O=C(Nc1ccno1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT1115_AF0588 [0,0,1,0,0,1|2,0,0]=4 79 B22R3.807 O=C(Nc1ccno1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT2957_AF0588 [0,0,1,0,0,1|2,0,0]=4 80 B22R3.807 O=C(Nc1ccns1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT0919_AF00325 [0,0,1,0,0,1|2,0,0]=4 81 B22R3.807 O=C(Nc1ccns1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT1115_AF00325 [0,0,1,0,0,1|2,0,0]=4 82 B22R3.807 O=C(Nc1ccns1)c2cnc(cn2)c3ccccc3 WXDL_WXCD00633106_BT2957_AF00325 [0,0,1,0,0,1|2,0,0]=4 83 B22R3.36390 O=C(Nc1ccn[nH]1)c2ccnc(c2)c3ccccc3 WXDL_WXCD00901189_BT0919_AF0122 [0,0,1,0,0,1|2,0,0]=4 84 B22R3.36390 O=C(Nc1ccn[nH]1)c2ccnc(c2)c3ccccc3 WXDL_WXCD00901189_BT1115_AF0122 [0,0,1,0,0,1|2,0,0]=4 85 B22R3.36390 O=C(Nc1ccn[nH]1)c2ccnc(c2)c3ccccc3 WXDL_WXCD00901189_BT2957_AF0122 [0,0,1,0,0,1|2,0,0]=4 86 B22R3.36390 O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT0919_AF0122 [0,0,1,0,0,1|1,0,0]=3 87 B22R3.36390 O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT1115_AF0122 [0,0,1,0,0,1|1,0,0]=3 88 B22R3.36390 O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT2957_AF0122 [0,0,1,0,0,1|1,0,0]=3 89 B22R3.36390 O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccccn3 WXDL_WXCD01004944_BT0164_AF0122 [0,0,1,0,0,1|2,0,0]=4 90 B22R3.36390 O=C(Nc1ccn[nH]1)c2cncc(n2)c3cccnc3 WXDL_WXCD01004944_BT1208_AF0122 [0,0,1,0,0,1|2,0,0]=4 91 B22R3.36390 O=C(Nc1ccn[nH]1)c2cncc(n2)c3cccnc3 WXDL_WXCD01004944_BT3912_AF0122 [0,0,1,0,0,1|2,0,0]=4 92 B22R3.36390 O=C(Nc1ccn[nH]1)c2cncc(n2)c3ccncc3 WXDL_WXCD01004944_BT0574_AF0122 [0,0,1,0,0,1|2,0,0]=4 93 B22R3.36390 O=C(Nc1ccno1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT0919_AF0588 [0,0,1,0,0,1|2,0,0]=4 94 B22R3.36390 O=C(Nc1ccno1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT1115_AF0588 [0,0,1,0,0,1|2,0,0]=4 95 B22R3.36390 O=C(Nc1ccno1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT2957_AF0588 [0,0,1,0,0,1|2,0,0]=4 96 B22R3.36390 O=C(Nc1ccns1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT0919_AF00325 [0,0,1,0,0,1|2,0,0]=4 97 B22R3.36390 O=C(Nc1ccns1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT1115_AF00325 [0,0,1,0,0,1|2,0,0]=4 98 B22R3.36390 O=C(Nc1ccns1)c2cncc(n2)c3ccccc3 WXDL_WXCD01004944_BT2957_AF00325 [0,0,1,0,0,1|2,0,0]=4 99 B22R3.63935 O=C(NCc1ccn[nH]1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT0919_AK0459 [0,0,1,0,0,1|2,0,0]=4 100 B22R3.63935 O=C(NCc1ccn[nH]1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT1115_AK0459 [0,0,1,0,0,1|2,0,0]=4 101 B22R3.63935 O=C(NCc1ccn[nH]1)c2csc(n2)c3ccccc3 WXDL_WXCD00614040_BT2957_AK0459 [0,0,1,0,0,1|2,0,0]=4