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        "molfile": "\n  Marvin  01132104192D          \n\n 29 27  0  0  0  0            999 V2000\n    4.2240  -10.2337    0.0000 Na  0  3  0  0  0  0  0  0  0  0  0  0\n    9.5807  -11.4206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8605  -11.0182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1518  -11.4408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4316  -11.0384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7230  -11.4610    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0028  -11.0586    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2942  -11.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5739  -11.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8653  -11.5013    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1451  -11.0990    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7427  -11.8192    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4248  -10.6966    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5475  -10.3787    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n   10.2893  -10.9980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0095  -11.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7181  -10.9779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.4384  -11.3802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.1469  -10.9577    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8671  -11.3600    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.5758  -10.9375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2960  -11.3398    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0046  -10.9172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.7248  -11.3195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.4334  -10.8970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.1536  -11.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.8622  -10.8767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.5824  -11.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.2910  -10.8565    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  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 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\n  2 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 18 19  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 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\nM  CHG  2   1   1  14  -1\nM  END",
        "smiles": "CCCCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-].[Na+]",
        "formula": "C20H41O7S.Na",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "448.592",
        "optical_activity": "NONE",
        "references": [
          "4100b0fa-6df6-4bff-ae51-91cf8077f0a8",
          "4b7d39b6-0ee8-4986-9546-c0f3146b9fd7"
        ],
        "stereo_centers": 0
      },
      "unii": "2VLC033A4E"
    }
  ]
}