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          "molfile": "\n  Marvin  01132109152D          \n\n 21 22  0  0  0  0            999 V2000\n    1.4795    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4795   -0.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1945   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9068   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6217   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3367   -0.1237    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    3.6217   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9068   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1945   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4795   -1.7737    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7645   -2.1862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0670   -1.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8920   -2.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3367   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3367   -2.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0518   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7668   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4790   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4790   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7668   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0518   -0.5362    0.0000 C   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  4  3  1  0  0  0  0\n  3  9  2  0  0  0  0\n  5  4  2  0  0  0  0\n  6  5  1  0  0  0  0\n  5  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n 14  7  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 10  2  0  0  0  0\n 13 10  2  0  0  0  0\n 15 14  2  0  0  0  0\n 16 14  1  0  0  0  0\n 17 16  1  0  0  0  0\n 21 16  2  0  0  0  0\n 18 17  2  0  0  0  0\n 19 18  1  0  0  0  0\n 19 20  2  0  0  0  0\n 20 21  1  0  0  0  0\nM  CHG  1   6  -1\nM  END",
          "smiles": "COc1cc(c(cc1S(=O)(=O)O)C(=O)c2ccccc2)[O-]",
          "formula": "C14H11O6S",
          "atropisomerism": "No",
          "charge": -1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "32f2a1ad-dc06-425a-8c94-f49c6ffd457c"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "307.3002",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "9dff9bce-d278-4708-8f8d-63cf59525ce3",
      "version": "7",
      "structure": {
        "id": "e739e842-6a3f-4293-9a8d-8f640973c26e",
        "molfile": "\n  Marvin  01132111582D          \n\n 22 22  0  0  0  0            999 V2000\n    1.4795   -1.7737    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1945   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6217   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9068   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3367   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1945   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6217   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9068   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7645   -2.1862    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.0670   -1.0588    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8920   -2.4887    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3367   -2.5987    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0518   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3367   -0.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4795   -0.1237    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0495   -1.7737    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    5.7668   -1.7737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0518   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4795    0.7012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7668   -0.1237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4790   -1.3612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4790   -0.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  2  2  0  0  0  0\n  5  3  1  0  0  0  0\n  6  2  1  0  0  0  0\n  7  3  2  0  0  0  0\n  8  6  2  0  0  0  0\n  9  1  1  0  0  0  0\n 10  1  2  0  0  0  0\n 11  1  2  0  0  0  0\n 12  5  2  0  0  0  0\n 13  5  1  0  0  0  0\n 14  7  1  0  0  0  0\n 15  6  1  0  0  0  0\n 17 13  2  0  0  0  0\n 18 13  1  0  0  0  0\n 19 15  1  0  0  0  0\n 20 18  2  0  0  0  0\n 21 17  1  0  0  0  0\n 22 21  2  0  0  0  0\n  7  8  1  0  0  0  0\n 22 20  1  0  0  0  0\nM  CHG  2   9  -1  16   1\nM  END",
        "smiles": "COc1cc(c(cc1S(=O)(=O)[O-])C(=O)c2ccccc2)O.[Na+]",
        "formula": "C14H11O6S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "330.2899",
        "optical_activity": "NONE",
        "references": [
          "b20627b8-1fdc-4a2d-b6ee-3f254ea022fd",
          "9088e6c0-e71a-4e15-aa51-5d8ed8dc568b"
        ],
        "stereo_centers": 0
      },
      "unii": "853Z42ZYAS"
    }
  ]
}