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          "molfile": "\n  Marvin  01132104062D          \n\n 18 17  0  0  0  0            999 V2000\n   -1.2805   -2.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5666   -3.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1975   -2.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9183   -3.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6547   -2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3818   -3.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1304   -2.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8266   -3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5506   -2.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2869   -3.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0294   -2.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7410   -3.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5114   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2322   -3.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9717   -3.0189    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n    8.5695   -2.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7328   -2.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3862   -3.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  3  1  0  0  0  0\n  5  4  1  0  0  0  0\n  6  5  1  0  0  0  0\n  7  6  1  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  1  0  0  0  0\n 10  9  1  0  0  0  0\n 11 10  1  0  0  0  0\n 12 11  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  1  0  0  0  0\n 15 18  1  0  0  0  0\nM  CHG  1  15   1\nM  END",
          "smiles": "CCCCCCCCCCCCCC[N+](C)(C)C",
          "formula": "C17H38N",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "RACEMIC",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "a1acf206-e24c-40be-8743-8cab483cac8b"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "256.491",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "a014c7ea-cf5e-44b0-b32f-6109b5a039ab",
      "version": "7",
      "structure": {
        "id": "f85822c7-b179-4842-b73e-d71af651ad09",
        "molfile": "\n  Marvin  01132112522D          \n\n 19 17  0  0  0  0            999 V2000\n    6.7410   -3.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.0294   -2.9355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5114   -2.9417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2869   -3.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.2322   -3.3810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5506   -2.8675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.9717   -3.0189    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.8266   -3.2170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5695   -2.2981    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.7328   -2.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3862   -3.7245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1304   -2.8272    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3818   -3.1892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6547   -2.7994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9183   -3.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1975   -2.8149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5666   -3.1737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2805   -2.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0087   -1.1163    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  1  3  1  0  0  0  0\n  2  4  1  0  0  0  0\n  3  5  1  0  0  0  0\n  4  6  1  0  0  0  0\n  5  7  1  0  0  0  0\n  6  8  1  0  0  0  0\n  7  9  1  0  0  0  0\n  7 10  1  0  0  0  0\n  7 11  1  0  0  0  0\n  8 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 16 17  1  0  0  0  0\n 17 18  1  0  0  0  0\nM  CHG  2   7   1  19  -1\nM  END",
        "smiles": "CCCCCCCCCCCCCC[N+](C)(C)C.[Br-]",
        "formula": "C17H38N.Br",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "336.3945",
        "optical_activity": "NONE",
        "references": [
          "30fd93b6-c558-4a3a-8a64-ee528fb11abc",
          "6e026786-3b74-49dd-9c78-3ee456c256e7",
          "b205ea6b-4e52-4163-9d1b-b79c775354a4"
        ],
        "stereo_centers": 0
      },
      "unii": "8483H94W1E"
    }
  ]
}