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        "molfile": "\n  Marvin  01132111172D          \n\n 27 27  0  0  0  0            999 V2000\n    4.0279  -10.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.7478  -11.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4707  -10.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.0279  -10.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3080  -11.2978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5851  -10.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5851  -10.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8739  -11.3204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8739   -9.6675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1598  -10.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1598  -10.0687    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4370   -9.6646    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   -0.2830  -10.0687    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    0.4370   -8.8425    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8739   -8.8454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1906  -11.2978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9105  -10.8937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9105  -10.0716    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6333  -11.2978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.5863   -8.4340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.1615   -8.4340    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3400  -10.8766    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.3372  -12.0087    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.1569  -12.0087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2180  -12.0058    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0407  -12.0087    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    1.8691   -8.0203    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n 16  3  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  6  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  8  2  0  0  0  0\n 11  9  2  0  0  0  0\n 15  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  1  0  0  0  0\n 13 12  1  0  0  0  0\n 14 12  2  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  2  0  0  0  0\n 19 17  1  0  0  0  0\n 15 20  1  0  0  0  0\n  2  1  1  0  0  0  0\n 15 21  1  0  0  0  0\n  5  1  1  0  0  0  0\n  4  1  2  0  0  0  0\n  3  2  1  0  0  0  0\n 19 22  1  0  0  0  0\n  2 23  1  0  0  0  0\n  2 24  1  0  0  0  0\n 19 25  1  0  0  0  0\n 19 26  1  0  0  0  0\n 15 27  1  0  0  0  0\nM  CHG  2  12   1  13  -1\nM  END",
        "smiles": "CC(CNC(=O)C(F)(F)F)(C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])O",
        "formula": "C13H11F6N3O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "403.2345",
        "optical_activity": "( + / - )",
        "references": [
          "82af2eca-d375-4b7e-8b0c-d46b7bc1284f",
          "32aab163-2af2-4d86-9a25-917159a96367",
          "c4e28826-9c1c-4f0f-9440-658d492c70ad"
        ],
        "stereo_centers": 1
      },
      "unii": "A8EU2FXY13"
    }
  ]
}