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        "molfile": "\n  Marvin  01132100362D          \n\n 20 20  0  0  0  0            999 V2000\n    6.4785   -3.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3035   -3.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7159   -4.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.3035   -5.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.4785   -5.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0660   -4.6928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2409   -4.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8285   -5.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0035   -5.4073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5910   -6.1217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8285   -3.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0035   -3.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5910   -3.2639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7159   -6.1217    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.5409   -6.1217    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.3035   -6.8362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5409   -4.6928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9534   -3.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7785   -3.9783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1910   -3.2639    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  4  5  1  0  0  0  0\n  5  6  2  0  0  0  0\n  1  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n  7 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n  4 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  2  0  0  0  0\n  3 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\nM  CHG  2  14   1  15  -1\nM  END",
        "smiles": "c1cc(c(cc1N(CCO)CCO)[N+](=O)[O-])NCCO",
        "formula": "C12H19N3O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "285.2968",
        "optical_activity": "NONE",
        "references": [
          "4c046e24-c474-45fc-a814-14c298019aed",
          "ccd064cb-a816-48f5-8265-cdfaca43fbc3"
        ],
        "stereo_centers": 0
      },
      "unii": "6C0EL1931V"
    }
  ]
}