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          "molfile": "\n  Marvin  01132112092D          \n\n 29 30  0  0  0  0            999 V2000\n    6.4995   -3.8465    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.2862   -3.8465    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.6752   -3.0843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0053   -4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7317   -3.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4517   -4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4517   -5.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1722   -5.4597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    8.7272   -5.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0053   -5.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1086   -5.5890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2721   -5.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2721   -4.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5468   -4.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8280   -4.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8280   -5.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5468   -5.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5468   -6.4166    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    4.1064   -4.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6888   -4.7052    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5239   -3.3131    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3847   -3.6080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7272   -6.2627    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.0043   -6.6612    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.4530   -6.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1767   -3.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7657   -3.1619    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5923   -4.5562    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8994   -3.4551    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  2  3  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  4  1  0  0  0  0\n 10  4  2  0  0  0  0\n  6  5  2  0  0  0  0\n  7  6  1  0  0  0  0\n  6 26  1  0  0  0  0\n  7  8  1  0  0  0  0\n  9  7  2  0  0  0  0\n 10  9  1  0  0  0  0\n  9 23  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 17 12  2  0  0  0  0\n 13 14  2  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  2  0  0  0  0\n 15 19  1  0  0  0  0\n 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\n 19 20  1  0  0  0  0\n 19 21  1  0  0  0  0\n 19 22  1  0  0  0  0\n 23 24  1  0  0  0  0\n 23 25  2  0  0  0  0\n 26 27  1  0  0  0  0\n 26 28  1  0  0  0  0\n 26 29  1  0  0  0  0\nM  CHG  4   1  -1   2   1  23   1  24  -1\nM  END",
          "smiles": "c1c(cnc(c1Cl)Nc2c(cc(c(c2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F",
          "formula": "C13H4Cl2F6N4O4",
          "atropisomerism": "No",
          "charge": 0,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "0eb2505b-5d63-441d-b1de-4f0e1df6c42f"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "465.0921",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "7909ec2d-2ae8-40c6-9df3-17c5820febe0",
      "version": "7",
      "structure": {
        "id": "b7de333c-cdad-41c1-8bc6-665b1bd51c08",
        "molfile": "\n  Marvin  01132109312D          \n\n 29 30  0  0  0  0            999 V2000\n    6.2721   -4.4103    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5468   -4.0146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8280   -4.4103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1064   -4.0162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.6888   -4.7052    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5239   -3.3131    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3847   -3.6080    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.8280   -5.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5468   -5.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.5468   -6.4166    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    6.2721   -5.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.1086   -5.5890    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0053   -5.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7272   -5.4620    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7272   -6.2627    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.0043   -6.6612    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    9.4530   -6.6600    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    9.4517   -5.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1722   -5.4597    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0\n    9.4517   -4.2582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.1767   -3.8568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7657   -3.1619    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5923   -4.5562    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n   10.8994   -3.4551    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7317   -3.8513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0053   -4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.2862   -3.8465    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    6.4995   -3.8465    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    7.6752   -3.0843    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  2  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  4  7  1  0  0  0  0\n  3  8  1  0  0  0  0\n  8  9  2  0  0  0  0\n  9 10  1  0  0  0  0\n  9 11  1  0  0  0  0\n  1 11  2  0  0  0  0\n 11 12  1  0  0  0  0\n 12 13  1  0  0  0  0\n 13 14  1  0  0  0  0\n 14 15  1  0  0  0  0\n 15 16  1  0  0  0  0\n 15 17  2  0  0  0  0\n 14 18  2  0  0  0  0\n 18 19  1  0  0  0  0\n 18 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 21 23  1  0  0  0  0\n 21 24  1  0  0  0  0\n 20 25  2  0  0  0  0\n 25 26  1  0  0  0  0\n 13 26  2  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 27 29  2  0  0  0  0\nM  CHG  4  15   1  16  -1  27   1  28  -1\nM  END",
        "smiles": "c1c(cnc(c1Cl)Nc2c(cc(c(c2[N+](=O)[O-])Cl)C(F)(F)F)[N+](=O)[O-])C(F)(F)F",
        "formula": "C13H4Cl2F6N4O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "465.0921",
        "optical_activity": "NONE",
        "references": [
          "24a56169-1343-4baf-a07a-a5f8b7d1bafe",
          "e8415070-8e82-473a-abe3-fa46fe28a000"
        ],
        "stereo_centers": 0
      },
      "unii": "0P91PCK33Q"
    }
  ]
}