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          "molfile": "\n  Marvin  01132109212D          \n\n 13 12  0  0  0  0            999 V2000\n    3.6030   -4.7584    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3189   -4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0303   -4.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7463   -4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4622   -4.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1737   -4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8896   -4.7584    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.1737   -3.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7463   -3.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7463   -5.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0258   -5.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4530   -5.5753    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3189   -3.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  2 13  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  9  1  0  0  0  0\n  4 10  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  6  8  2  0  0  0  0\n 10 11  2  0  0  0  0\n 10 12  1  0  0  0  0\nM  CHG  3   1  -1   7  -1  12  -1\nM  END",
          "smiles": "C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O",
          "formula": "C6H5O7",
          "atropisomerism": "No",
          "charge": -3,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "95addead-e580-4ec6-8a1f-c71a790473b3"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "189.1",
          "optical_activity": "NONE",
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          "id": "5200c23e-2855-4e3b-9e9d-de6c05082890",
          "molfile": "\n  Marvin  01132104162D          \n\n  1  0  0  0  0  0            999 V2000\n    8.8810   -4.7584    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   1\nM  END",
          "smiles": "[Na+]",
          "formula": "Na",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "82ce1612-0e37-4385-ae5f-adfb610ef82e"
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          "ez_centers": 0,
          "molecular_weight": "22.9898",
          "optical_activity": "NONE",
          "stereo_centers": 0
        },
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          "uuid": "d8ff96da-59a7-4cba-a50b-b7b5f5f3d1d9",
          "id": "d8ff96da-59a7-4cba-a50b-b7b5f5f3d1d9",
          "molfile": "\n  Marvin  01132111152D          \n\n  1  0  0  0  0  0            999 V2000\n    0.4131   -4.0617    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\nM  CHG  1   1   1\nM  END",
          "formula": "H",
          "atropisomerism": "No",
          "charge": 1,
          "count": 2,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 2,
            "units": "MOL RATIO",
            "uuid": "e7d6462c-102c-4c5e-b217-9317f97182c9"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "1.0079",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "884de67a-4383-4cf3-a858-af7ae2473564",
      "version": "9",
      "structure": {
        "id": "2902322b-394b-4716-b813-6956db960693",
        "molfile": "\n  Marvin  01132102142D          \n\n 16 12  0  0  0  0            999 V2000\n    3.6030   -4.7584    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3189   -4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0303   -4.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7463   -4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4622   -4.7584    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1737   -4.3408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8896   -4.7584    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.1737   -3.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7463   -3.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7463   -5.1624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0258   -5.5707    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4530   -5.5753    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.3189   -3.5193    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8810   -4.7584    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    0.4131   -4.0617    0.0000 H   0  3  0  0  0  0  0  0  0  0  0  0\n    0.4131   -4.0617    0.0000 H   0  3  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  6  8  2  0  0  0  0\n  4  9  1  0  0  0  0\n  4 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 10 12  1  0  0  0  0\n  2 13  2  0  0  0  0\n  1  2  1  0  0  0  0\nM  CHG  6   1  -1   7  -1  12  -1  14   1  15   1  16   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  15  16\nM  SPA   1  1  15\nM  SDI   1  4   -0.0069   -4.4817   -0.0069   -3.6417\nM  SDI   1  4    0.8331   -3.6417    0.8331   -4.4817\nM  SMT   1 2\nM  END",
        "smiles": "C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[H+].[H+]",
        "formula": "C6H5O7.Na.2H",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "214.1056",
        "optical_activity": "NONE",
        "references": [
          "63e0ce34-a0a4-44ce-92fa-d479b66ef7f2",
          "07c29741-ff3d-46af-8e68-b03eb9c05e5c"
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}