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        "molfile": "\n  Marvin  01132104052D          \n\n 17 16  0  0  0  0            999 V2000\n    0.7851   -2.7541    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2910   -1.6110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4015   -2.1046    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    5.0402   -1.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1763   -3.4624    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -3.1914    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5928   -1.1993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.4755   -2.3807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5903   -0.3912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0402   -0.4143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2910   -2.4395    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.3191   -0.0026    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7536    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    1.4883   -1.5676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8998   -1.5676    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2120   -1.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2634   -0.8746    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  2  7  2  0  0  0  0\n  3  1  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  1  2  0  0  0  0\n  6  1  2  0  0  0  0\n  7 15  1  0  0  0  0\n  8  1  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10 12  1  0  0  0  0\n 11  2  1  0  0  0  0\n 12  9  2  0  0  0  0\n 13 10  1  0  0  0  0\n 14  8  1  0  0  0  0\n 15 16  1  0  0  0  0\n 16 14  1  0  0  0  0\n  4 10  2  0  0  0  0\nM  CHG  2   3  -1  17   1\nM  END",
        "smiles": "c1cc(c(cc1Cl)Cl)OCCOS(=O)(=O)[O-].[Na+]",
        "formula": "C8H7Cl2O5S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "309.1002",
        "optical_activity": "NONE",
        "references": [
          "7306196f-3cc1-42a7-9f40-30e22bf9a2e1",
          "a8eb3341-743f-4dfe-85d9-90c7838e94d7"
        ],
        "stereo_centers": 0
      },
      "unii": "79H45L1710"
    }
  ]
}