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        "molfile": "\n  Marvin  01132112202D          \n\n 30 29  0  0  0  0            999 V2000\n    5.8127   -2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8127   -1.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0982   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3837   -2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3837   -1.6634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6693   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6693   -3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3837   -4.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0982   -3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3837   -4.9634    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1806   -5.1769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5619   -4.8915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2406   -5.7759    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.9549   -4.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2404   -3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5271   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5271   -3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8127   -4.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2416   -4.1384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9561   -3.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9561   -2.9010    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2416   -2.4885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6705   -2.4885    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4569   -1.6915    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0191   -3.2362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4458   -2.2063    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    8.6705   -4.1384    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6705   -4.9634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9024   -1.0884    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   11.9024   -1.0884    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n  3  1  1  0  0  0  0\n  4  3  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  4  1  0  0  0  0\n  7  6  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9  3  1  0  0  0  0\n  8 10  1  0  0  0  0\n 10 11  2  0  0  0  0\n 10 12  2  0  0  0  0\n 10 13  1  0  0  0  0\n 14  7  1  0  0  0  0\n 14 15  1  0  0  0  0\n 16  1  1  0  0  0  0\n 17 16  2  0  0  0  0\n 18 17  1  0  0  0  0\n 19 17  1  0  0  0  0\n 20 19  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 16  1  0  0  0  0\n 21 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 23 25  2  0  0  0  0\n 23 26  1  0  0  0  0\n 27 20  1  0  0  0  0\n 27 28  1  0  0  0  0\n  2  1  2  0  0  0  0\nM  CHG  4  13  -1  26  -1  29   1  30   1\nM  STY  1   1 MUL\nM  SCN  1   1 HT \nM  SAL   1  2  29  30\nM  SPA   1  1  29\nM  SDI   1  4   11.4824   -1.5084   11.4824   -0.6684\nM  SDI   1  4   12.3224   -0.6684   12.3224   -1.5084\nM  SMT   1 2\nM  END",
        "smiles": "COc1cc(c(cc1S(=O)(=O)[O-])C(=O)c2cc(c(cc2O)OC)S(=O)(=O)[O-])O.[Na+].[Na+]",
        "formula": "C15H12O11S2.2Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "478.3615",
        "optical_activity": "NONE",
        "references": [
          "0b55254b-bd6f-4f43-9492-926c93be02fc",
          "979f617f-4b70-4479-a430-7c3f41aba9b8"
        ],
        "stereo_centers": 0
      },
      "unii": "7925W14T4L"
    }
  ]
}