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        "molfile": "\n  Marvin  01132104362D          \n\n 21 19  0  0  0  0            999 V2000\n   11.2224   -4.6775    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3996   -4.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0498   -4.6775    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2224   -5.5003    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2224   -3.8502    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.4718   -3.4547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7687   -3.8863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0398   -3.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3413   -3.9266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6124   -3.5310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9031   -3.9629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1804   -3.5671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4710   -4.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7484   -3.6075    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0435   -4.0392    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3160   -3.6437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6188   -4.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8108   -6.7252    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3969   -6.3851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9875   -6.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.5780   -6.3808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  4  1  0  0  0  0\n  1  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  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  1  2  2  0  0  0  0\n  1  3  2  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\nM  END",
        "smiles": "CCCCCCCCCCCCOS(=O)(=O)O.C(CO)N",
        "formula": "C12H26O4S.C2H7NO",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "327.4822",
        "optical_activity": "NONE",
        "references": [
          "694cd05d-8f0a-4c63-86f9-e6829d72c9e2",
          "e5f9172c-416b-498c-859d-a4e66509f84a"
        ],
        "stereo_centers": 0
      },
      "unii": "0AJD35M46A"
    }
  ]
}