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      "structure": {
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        "molfile": "\n  Marvin  01132108302D          \n\n 23 21  0  0  0  0            999 V2000\n    6.2271   -0.2475    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n   -1.9402   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2259   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5114   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2031   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9402   -1.4438    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6548   -0.2062    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2031    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9175   -0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2259    0.6187    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4009    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.0509    0.6187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2259    1.4438    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    1.6320   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3465   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.0609   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7754   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.4898   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.3693   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.0837   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.7982   -0.6187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.5126   -0.2062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.2271   -0.6187    0.0000 C   0  0  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  4  5  1  0  0  0  0\n  2  6  2  0  0  0  0\n  2  7  1  0  0  0  0\n  5  8  2  0  0  0  0\n  5  9  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  3 10  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 18  1  0  0  0  0\n  9 14  1  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n  7 19  1  0  0  0  0\nM  CHG  2   1   1  13  -1\nM  END",
        "smiles": "CCCCCOC(=O)CC(C(=O)OCCCCC)S(=O)(=O)[O-].[Na+]",
        "formula": "C14H25O7S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "360.4005",
        "optical_activity": "( + / - )",
        "references": [
          "1f384cc8-6305-4c7d-94da-96562ff09562",
          "8809bbaa-734e-41fd-b15f-8cc13fc10db5"
        ],
        "stereo_centers": 1
      },
      "unii": "P975Y1C16S"
    }
  ]
}