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          "smiles": "C([C@@H](C(=O)[O-])N)C(=O)[O-]",
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      "uuid": "a7decccb-3b29-4e0c-a55e-96d618013285",
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      "structure": {
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        "molfile": "\n  Marvin  01132109572D          \n\n 25 16  0  0  1  0            999 V2000\n    7.5088   -4.4657    0.0000 Mg  0  2  0  0  0  0  0  0  0  0  0  0\n   11.1670   -5.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7553   -3.9727    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.0354   -3.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0150   -2.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3310   -4.0077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.6110   -3.6130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3512   -4.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6422   -5.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6624   -6.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9176   -4.8629    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   14.6370   -1.9928    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n    5.7553   -3.9727    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.0354   -3.5780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0150   -2.7536    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3310   -4.0077    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0\n    3.6110   -3.6130    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3512   -4.8322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6422   -5.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6624   -6.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9176   -4.8629    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   14.6370   -1.9928    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n   11.1670   -5.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1670   -5.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.1670   -5.8461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  2  0  0  0  0\n  4  6  1  0  0  0  0\n  6  7  1  6  0  0  0\n  6  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  9 11  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  2  0  0  0  0\n 14 16  1  0  0  0  0\n 16 17  1  6  0  0  0\n 16 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 21  1  0  0  0  0\nM  CHG  7   1   2   3  -1  11  -1  12   1  13  -1  21  -1  22   1\nM  STY  3   1 MUL   2 MUL   3 MUL\nM  SCN  1   1 HT \nM  SAL   1 15   3   4   5   6   7   8   9  10  11  13  14  15  16  17  18\nM  SAL   1  3  19  20  21\nM  SPA   1  9   3   4   5   6   7   8   9  10  11\nM  SDI   1  4    2.4976   -6.5020    2.4976   -2.3336\nM  SDI   1  4    6.1753   -2.3336    6.1753   -6.5020\nM  SMT   1 2\nM  SCN  1   2 HT \nM  SAL   2  2  12  22\nM  SPA   2  1  12\nM  SDI   2  4   14.2170   -2.4128   14.2170   -1.5728\nM  SDI   2  4   15.0570   -1.5728   15.0570   -2.4128\nM  SMT   2 2\nM  SCN  1   3 HT \nM  SAL   3  4   2  23  24  25\nM  SPA   3  1   2\nM  SDI   3  4   10.7470   -6.2661   10.7470   -5.4261\nM  SDI   3  4   11.5870   -5.4261   11.5870   -6.2661\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-].[Mg+2].O.O.O.O.[H+].[H+]",
        "formula": "2C4H5NO4.Mg.2H.4H2O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 2,
        "ez_centers": 0,
        "molecular_weight": "360.556",
        "optical_activity": "UNSPECIFIED",
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}