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        "molfile": "\n  Marvin  01132107012D          \n\n 22 20  0  0  0  0            999 V2000\n    8.0354   -1.6628    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8585   -1.6628    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.0354   -2.4859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0354   -0.8397    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2123   -1.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5015   -1.2596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7865   -1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5001   -1.2887    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7893   -1.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0665   -1.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.7857   -1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5007   -1.6877    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2115   -1.2720    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9306   -1.6836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6457   -1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3565   -1.6753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0673   -1.2637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0702   -1.2845    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.3593   -1.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6443   -1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.2151   -1.7002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5693   -1.6628    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  2  0  0  0  0\n  5  1  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 18  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17  7  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 10  1  0  0  0  0\n 21  8  1  0  0  0  0\nM  CHG  2   2  -1  22   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]",
        "formula": "C16H33O4S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "344.4873",
        "optical_activity": "NONE",
        "references": [
          "5b4c296a-e9f9-454d-a54f-da79d37941b3",
          "4c7ff49a-bdb5-40df-8e82-ba9d32fc9626"
        ],
        "stereo_centers": 0
      },
      "unii": "3V3Y3O7BIQ"
    }
  ]
}