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        "molfile": "\n  Marvin  01132105442D          \n\n 28 29  0  0  0  0            999 V2000\n   10.3163   -4.4409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7500   -3.7848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2231   -3.1405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5458   -3.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5458   -4.2374    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9147   -2.8688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9686   -2.7646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5736   -3.8928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9062   -4.6303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4342   -5.2896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6599   -5.1722    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7611   -6.2213    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9657   -6.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.6180   -5.5300    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7733   -5.1432    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0060   -5.5440    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2395   -5.0930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4981   -5.4767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7817   -5.0531    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0143   -5.4187    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0143   -6.3113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2164   -6.6582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7817   -4.1825    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0060   -6.4037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2247   -6.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7223   -6.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0369   -4.8636    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5468   -6.8954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  2  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  5  4  1  0  0  0  0\n  1  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  2  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  2  0  0  0  0\n  1 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 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 19 23  2  0  0  0  0\n 16 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 24 26  1  0  0  0  0\n 14 27  1  0  0  0  0\n 13 28  2  0  0  0  0\nM  END",
        "smiles": "CCOC(=O)CCN(C(C)C)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc21",
        "formula": "C20H30N2O5S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "410.5295",
        "optical_activity": "NONE",
        "references": [
          "d546396c-62d2-465d-b57b-7cf1245abe62",
          "b9fe22df-1b22-4ec3-8e68-9a5ae4bf6a0c"
        ],
        "stereo_centers": 0
      },
      "unii": "807671FRZY"
    }
  ]
}