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9  1  0  0  0  0\n  9 14  2  0  0  0  0\n 13 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 12  9  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  2  0  0  0  0\n 18 13  1  0  0  0  0\n 12 19  1  0  0  0  0\n  1 20  1  0  0  0  0\n  2 21  1  0  0  0  0\n 27 28  2  0  0  0  0\n 32 27  1  0  0  0  0\n 27 46  1  0  0  0  0\n 28 29  1  0  0  0  0\n 28 47  1  0  0  0  0\n 29 30  2  0  0  0  0\n 30 48  1  0  0  0  0\n 30 31  1  0  0  0  0\n 31 32  2  0  0  0  0\n 31 33  1  0  0  0  0\n 33 34  2  0  0  0  0\n 34 35  1  0  0  0  0\n 35 40  2  0  0  0  0\n 38 35  1  0  0  0  0\n 39 36  2  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  2  0  0  0  0\n 38 45  1  0  0  0  0\n 39 40  1  0  0  0  0\n 44 39  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  2  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  2  0  0  0  0\n 48 49  1  0  0  0  0\n 48 50  2  0  0  0  0\n 48 51  2  0  0  0  0\nM  CHG  3  23  -1  26   2  49  -1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SAL   1 15  16  17  18  19  20  21  22  23  24  25  27  28  29  30  31\nM  SAL   1 15  32  33  34  35  36  37  38  39  40  41  42  43  44  45  46\nM  SAL   1  5  47  48  49  50  51\nM  SPA   1 15   1   2   3   4   5   6   7   8   9  10  11  12  13  14  15\nM  SPA   1 10  16  17  18  19  20  21  22  23  24  25\nM  SDI   1  4    0.0011   -5.6934    0.0011   -1.2289\nM  SDI   1  4    7.2743   -1.2289    7.2743   -5.6934\nM  SMT   1 2\nM  END",
        "smiles": "Cc1cc(c(cc1Cl)S(=O)(=O)[O-])/N=N/c2c3ccccc3ccc2O.Cc1cc(c(cc1Cl)S(=O)(=O)[O-])/N=N/c2c3ccccc3ccc2O.[Ba+2]",
        "formula": "2C17H12ClN2O4S.Ba",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "888.9426",
        "optical_activity": "NONE",
        "references": [
          "8e17eb08-86bb-43cc-a99f-8053ea813df6",
          "cb1a78bb-87e5-4193-8e5b-b3c4636e241d"
        ],
        "stereo_centers": 0
      },
      "unii": "1FO1ZO92Y1"
    }
  ]
}