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        "molfile": "\n  Marvin  01132105402D          \n\n 18 12  0  0  0  0            999 V2000\n    8.1418   -1.1315    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    2.3132   -1.4823    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.0313   -1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7452   -1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4592   -1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1732   -1.4823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8872   -1.0689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6012   -1.4823    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.0272   -0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4551   -0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4551   -1.8914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8789   -0.2422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7369   -2.2964    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1691   -2.3048    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.1084   -2.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1418   -1.1315    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.1418   -1.1315    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    8.1084   -2.9060    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  3  9  2  0  0  0  0\n  5 10  1  0  0  0  0\n  5 11  1  0  0  0  0\n  7 12  2  0  0  0  0\n 11 13  2  0  0  0  0\n 11 14  1  0  0  0  0\nM  CHG  6   1   1   2  -1   8  -1  14  -1  16   1  17   1\nM  STY  2   1 MUL   2 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  15  18\nM  SPA   1  1  15\nM  SDI   1  4    7.6884   -3.3260    7.6884   -2.4860\nM  SDI   1  4    8.5284   -2.4860    8.5284   -3.3260\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2  3   1  16  17\nM  SPA   2  1   1\nM  SDI   2  4    7.7218   -1.5515    7.7218   -0.7115\nM  SDI   2  4    8.5618   -0.7115    8.5618   -1.5515\nM  SMT   2 3\nM  END",
        "smiles": "C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+].O.O",
        "formula": "C6H5O7.3Na.2H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
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