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      "structure": {
        "id": "edff04e3-8d2b-479d-a86f-66a224b33f60",
        "molfile": "\n  Marvin  01132112192D          \n\n 28 29  0  0  0  0            999 V2000\n    6.9237   -5.3860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3385   -5.9753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5458   -5.7639    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3306   -4.9673    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5340   -4.7512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5340   -3.9239    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7373   -4.5398    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9526   -5.3326    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9149   -4.3821    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7076   -4.5974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0853   -3.8048    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.5348   -2.8694    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.9931   -3.4585    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3385   -6.9068    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    5.7146   -7.5922    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.3086   -7.5259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7203   -5.6022    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1280   -6.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9475   -6.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3591   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1795   -5.6062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5991   -6.3136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1865   -7.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3631   -7.0338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9594   -7.7420    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.1359   -4.8017    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2976   -5.0131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0814   -4.2165    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  2  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  2  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  2  0  0  0  0\n 19 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 20 26  1  0  0  0  0\n 17 27  1  0  0  0  0\n 27 28  1  0  0  0  0\nM  CHG  4  11   1  12  -1  14   1  15  -1\nM  END",
        "smiles": "CCN(Cc1c(cccc1F)Cl)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",
        "formula": "C16H12ClF4N3O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "421.7313",
        "optical_activity": "NONE",
        "references": [
          "70994c8c-091c-489e-97cc-e70bf92f4ff5",
          "455c9569-daf5-4026-8b63-b9ecc1a4255a"
        ],
        "stereo_centers": 0
      },
      "unii": "FF3TSN8UV2"
    }
  ]
}