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        "molfile": "\n  Marvin  01132105322D          \n\n 23 23  0  0  0  0            999 V2000\n    7.1266   -4.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7159   -5.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8907   -5.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4731   -4.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6480   -4.8740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8136   -4.8740    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6480   -4.0411    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6480   -5.6984    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8907   -4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7159   -4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1266   -3.4456    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.7296   -2.7254    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.9480   -3.4456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1403   -6.3115    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.9784   -6.3115    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    6.7296   -7.0149    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9480   -4.8740    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3693   -4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1907   -4.1766    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6052   -4.8899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.6052   -3.4761    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3693   -5.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1907   -5.5912    0.0000 C   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  1  0  0  0  0\n  5  7  1  0  0  0  0\n  5  8  1  0  0  0  0\n  4  9  1  0  0  0  0\n  9 10  2  0  0  0  0\n  1 10  1  0  0  0  0\n 10 11  1  0  0  0  0\n 11 12  1  0  0  0  0\n 11 13  2  0  0  0  0\n  2 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 14 16  2  0  0  0  0\n  1 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\n 19 21  2  0  0  0  0\n 17 22  1  0  0  0  0\n 22 23  1  0  0  0  0\nM  CHG  4  11   1  12  -1  14   1  15  -1\nM  END",
        "smiles": "CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",
        "formula": "C13H14F3N3O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "333.2637",
        "optical_activity": "NONE",
        "references": [
          "116bf24d-7e7a-467b-9998-809ecc817e75",
          "69194d23-d39a-43f2-8696-f7640cac7c11"
        ],
        "stereo_centers": 0
      },
      "unii": "51DKA727XQ"
    }
  ]
}