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        "molfile": "\n  Marvin  01132106182D          \n\n 43 32  0  0  1  0            999 V2000\n    5.0205   -2.4230    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0\n    4.3825    0.1116    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n   -1.8823    0.0898    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0\n    2.8050   -1.1740    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0905   -0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0905    0.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.1740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    0.6616   -0.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6616   -2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0529   -1.9990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.6616   -3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.8823    0.0898    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0\n    2.8050   -1.1740    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0905   -0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0905    0.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.1740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    0.6616   -0.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6616   -2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0529   -1.9990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.6616   -3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8050   -1.1740    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0905   -0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0905    0.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.1740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    0.6616   -0.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6616   -2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0529   -1.9990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.6616   -3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8050   -1.1740    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.0905   -0.7615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0905    0.0636    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.1740    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    0.6616   -0.7615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3760   -1.9990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6616   -2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.0529   -1.9990    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.6616   -3.2365    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3825    0.1116    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n    4.3825    0.1116    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n    4.3825    0.1116    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  2  0  0  0  0\n  5  7  1  0  0  0  0\n  7  8  1  6  0  0  0\n  7  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 10 12  2  0  0  0  0\n 33 32  1  0  0  0  0\n 33 34  2  0  0  0  0\n 33 35  1  0  0  0  0\n 35 36  1  6  0  0  0\n 35 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 38 40  2  0  0  0  0\n 24 23  1  0  0  0  0\n 24 25  2  0  0  0  0\n 24 26  1  0  0  0  0\n 26 27  1  6  0  0  0\n 26 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 29 31  2  0  0  0  0\n 15 14  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 17  1  0  0  0  0\n 17 18  1  6  0  0  0\n 17 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 20 22  2  0  0  0  0\nM  CHG  8   1   2   2   1   3   1   4  -1  11  -1  13   1  14  -1  21  -1\nM  CHG  7  23  -1  30  -1  32  -1  39  -1  41   1  42   1  43   1\nM  STY  3   1 MUL   2 MUL   3 MUL\nM  SCN  1   1 HT \nM  SAL   1  4   2  41  42  43\nM  SPA   1  1   2\nM  SDI   1  4    3.9625   -0.3084    3.9625    0.5316\nM  SDI   1  4    4.8025    0.5316    4.8025   -0.3084\nM  SMT   1 4\nM  SCN  1   2 HT \nM  SAL   2  2   3  13\nM  SPA   2  1   3\nM  SDI   2  4   -2.3023   -0.3302   -2.3023    0.5098\nM  SDI   2  4   -1.4623    0.5098   -1.4623   -0.3302\nM  SMT   2 2\nM  SCN  1   3 HT \nM  SAL   3 15   4   5   6   7   8   9  10  11  12  14  15  16  17  18  19\nM  SAL   3 15  20  21  22  23  24  25  26  27  28  29  30  31  32  33  34\nM  SAL   3  6  35  36  37  38  39  40\nM  SPA   3  9   4   5   6   7   8   9  10  11  12\nM  SDI   3  4   -0.4729   -3.6565   -0.4729    0.4836\nM  SDI   3  4    3.2250    0.4836    3.2250   -3.6565\nM  SMT   3 4\nM  END",
        "smiles": "C([C@@H](C(=O)[O-])N)C(=O)[O-].C([C@@H](C(=O)[O-])N)C(=O)[O-].C([C@@H](C(=O)[O-])N)C(=O)[O-].C([C@@H](C(=O)[O-])N)C(=O)[O-].[K+].[K+].[Mg+2].[H+].[H+].[H+].[H+]",
        "formula": "4C4H5NO4.2K.Mg.4H",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "630.8813",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "3ca00f07-f8e4-422d-adde-11afd38d50cd",
          "eb66d7e1-1054-4c37-a228-c0d44f94bf29"
        ],
        "stereo_centers": 4
      },
      "unii": "55TUI7Q42I"
    }
  ]
}