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        "molfile": "\n  Marvin  01132107432D          \n\n 14 12  0  0  0  0            999 V2000\n    9.3809   -6.2746    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    7.0391   -5.6273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5070   -4.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0957   -3.9890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7918   -5.1153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0815   -4.7041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3663   -5.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3663   -5.9378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0815   -3.8768    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2220   -4.2880    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1035   -5.6273    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1035   -6.4497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1035   -4.7999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9260   -5.6273    0.0000 O   0  5  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  3  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  2  0  0  0  0\n  6  9  2  0  0  0  0\n  3 10  1  0  0  0  0\n  2 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  2  0  0  0  0\n 11 14  1  0  0  0  0\nM  CHG  2   1   1  14  -1\nM  END",
        "smiles": "C=CC(=O)NC(C)(C)CS(=O)(=O)[O-].[Na+]",
        "formula": "C7H12NO4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "229.2306",
        "optical_activity": "NONE",
        "references": [
          "3e1cfd8c-1a1a-4959-8409-4c77325cb516",
          "79812e16-4272-45b9-8aaf-62cb582fd3da"
        ],
        "stereo_centers": 0
      },
      "unii": "2T9Q6EKI0G"
    }
  ]
}