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        "molfile": "\n  Marvin  01132103242D          \n\n 16 16  0  0  0  0            999 V2000\n    6.2732   -5.0357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9802   -4.6086    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9802   -3.7884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6874   -3.3566    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4226   -3.7602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1195   -3.3330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4226   -4.5854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2629   -3.3924    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5505   -3.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5505   -4.6189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8307   -3.3823    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8307   -2.5439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2732   -5.8609    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5660   -6.2724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8537   -5.8609    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5660   -7.0974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  9  8  2  0  0  0  0\n 10  9  1  0  0  0  0\n  1 10  2  0  0  0  0\n  9 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n  1 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  1  0  0  0  0\nM  END",
        "smiles": "CC(C)Nc1nc(NC(C)C)nc(n1)OC",
        "formula": "C10H19N5O",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "225.2912",
        "optical_activity": "NONE",
        "references": [
          "5d1c50be-b5c8-4d31-b207-15c1049c8826",
          "f71e256e-cd0d-4729-b8e5-4bca4a693169"
        ],
        "stereo_centers": 0
      },
      "unii": "DY7SQ0399L"
    }
  ]
}