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        "molfile": "\n  Marvin  01132113122D          \n\n 31 32  0  0  0  0            999 V2000\n    7.6921   -4.6879    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9777   -5.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9777   -5.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2632   -6.3379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2632   -7.1629    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5487   -7.5754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8343   -7.1629    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5487   -5.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5487   -5.1004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2632   -4.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2632   -3.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9777   -3.4504    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5487   -3.4504    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5487   -2.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8343   -3.8629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4066   -4.2754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2797   -3.9735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1047   -5.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9297   -5.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3421   -6.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3421   -4.6879    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1671   -4.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5796   -3.9734    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4046   -3.9734    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8171   -3.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6421   -3.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8171   -4.6879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.4046   -5.4024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8172   -6.1168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6422   -6.1168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5796   -5.4024    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  2  0  0  0  0\n  4  8  1  0  0  0  0\n  9  8  2  0  0  0  0\n 10  9  1  0  0  0  0\n  2 10  2  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  2  0  0  0  0\n 11 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 13 15  1  0  0  0  0\n  1 16  2  0  0  0  0\n  1 17  2  0  0  0  0\n  1 18  1  0  0  0  0\n 18 19  1  0  0  0  0\n 19 20  2  0  0  0  0\n 19 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  2  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 24 27  2  0  0  0  0\n 28 27  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 31 28  2  0  0  0  0\n 22 31  1  0  0  0  0\nM  END",
        "smiles": "CN(C)C(=O)c1ccc(cc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)OC)OC)NC=O",
        "formula": "C17H20N6O7S",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "452.4435",
        "optical_activity": "NONE",
        "references": [
          "94c3dbfb-7aa7-4b37-af07-19923d1fb14a",
          "d390185e-6e50-4f61-90e8-06081d7fe025"
        ],
        "stereo_centers": 0
      },
      "unii": "4XJD212JQB"
    }
  ]
}