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        "molfile": "\n  Marvin  01132101582D          \n\n 26 27  0  0  0  0            999 V2000\n    6.4322   -4.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1466   -5.2713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8611   -4.8588    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8611   -4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1466   -3.6213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4322   -4.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1466   -6.0963    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8611   -6.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.8611   -7.3338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4322   -6.5088    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.7177   -5.2713    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1343   -4.6880    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3374   -4.9015    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7541   -4.3182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9572   -4.5317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3738   -3.9483    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5769   -4.1618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3634   -4.9588    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.9468   -5.5421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7436   -5.3286    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7333   -6.3390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9936   -3.5785    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1967   -3.7920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1239   -5.6985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0858   -5.8016    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1908   -5.9471    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  2  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  2  0  0  0  0\n  1  6  1  0  0  0  0\n  2  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  7 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  2  0  0  0  0\n 17 18  1  0  0  0  0\n 19 18  2  0  0  0  0\n 20 19  1  0  0  0  0\n 15 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n 17 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 13 24  2  0  0  0  0\n 11 25  2  0  0  0  0\n 11 26  2  0  0  0  0\nM  END",
        "smiles": "Cc1nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)nc(n1)OC",
        "formula": "C14H15N5O6S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "381.3654",
        "optical_activity": "NONE",
        "references": [
          "87f7c91e-fd7d-4961-9596-849206fe3c95",
          "b799a5ac-d742-43bd-b595-e2e4092b8f13"
        ],
        "stereo_centers": 0
      },
      "unii": "2589ET7417"
    }
  ]
}