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        "molfile": "\n  Marvin  01132107162D          \n\n 23 23  0  0  0  0            999 V2000\n    2.9727   -2.8508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9909   -1.4267    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3878   -2.1427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.4034   -0.7237    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.3852   -3.5720    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.9105   -2.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7380   -2.1271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1427   -2.8482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.1582   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2023   -2.1271    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2334   -0.7237    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.2023   -3.5720    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.9676   -4.2827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9909    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -2.1271    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5058   -2.8716    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5707   -1.4112    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6381   -1.4475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6174   -2.8664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4630   -1.4345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4501   -2.8820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8859   -0.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8547   -3.5953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  1  1  0  0  0  0\n  9  7  1  0  0  0  0\n 10  3  1  0  0  0  0\n 11  4  1  0  0  0  0\n 12  5  1  0  0  0  0\n 13  5  2  0  0  0  0\n 14  4  2  0  0  0  0\n 15  6  1  0  0  0  0\n 16  6  1  0  0  0  0\n 17  6  1  0  0  0  0\n 18 10  1  0  0  0  0\n 19 10  1  0  0  0  0\n 20 18  1  0  0  0  0\n 21 19  1  0  0  0  0\n 22 20  1  0  0  0  0\n 23 21  1  0  0  0  0\n  9  2  2  0  0  0  0\nM  CHG  4   4   1   5   1  11  -1  12  -1\nM  END",
        "smiles": "CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",
        "formula": "C13H16F3N3O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "335.2796",
        "optical_activity": "NONE",
        "references": [
          "427f6457-6bbd-4adf-914b-7d21a91ad70e",
          "8306d333-ca4f-403a-bf89-042f5272cbe0"
        ],
        "stereo_centers": 0
      },
      "unii": "C8BX46QL7K"
    }
  ]
}