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        "molfile": "\n  Marvin  01132109152D          \n\n 28 29  0  0  0  0            999 V2000\n    9.6059   -6.6660    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6059   -5.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9374   -5.6084    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3383   -6.0223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1881   -5.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0224   -5.3218    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2532   -4.5164    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5847   -4.0419    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5847   -3.2171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9219   -4.5430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9716   -4.2519    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7313   -5.0422    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2164   -3.4615    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1857   -4.0072    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4184   -4.4316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4184   -5.1440    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7036   -4.0200    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9899   -4.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2712   -4.0210    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5636   -4.4335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8485   -4.0225    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1639   -4.4213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5636   -5.2585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2712   -5.6710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2712   -6.4959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5529   -6.9060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9899   -5.2585    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.5924   -6.0406    0.0000 Cl  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  2  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  8 10  1  0  0  0  0\n 10  5  2  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 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 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  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 20 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 24 27  1  0  0  0  0\n 27 18  2  0  0  0  0\n  6 28  1  0  0  0  0\nM  END",
        "smiles": "Cn1c(c(c(Cl)n1)C(=O)OC)S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC",
        "formula": "C13H15ClN6O7S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "434.8138",
        "optical_activity": "NONE",
        "references": [
          "14e82645-dc3c-475a-991a-d3338998f8a0",
          "6a257954-ff50-4df2-b678-b326cb6bce69"
        ],
        "stereo_centers": 0
      },
      "unii": "W1CP17GD87"
    }
  ]
}