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          "molfile": "\n  Marvin  01132101062D          \n\n 18 17  0  0  0  0            999 V2000\n    1.0819   -1.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.6595   -0.9428    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n    0.1005   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3833   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0814   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8156   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5111   -1.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2453   -0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9150   -1.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6595   -0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3473   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0892   -0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7769   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5111   -0.9892    0.0000 N   0  3  0  0  0  0  0  0  0  3  0  0\n    9.0598   -1.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1731   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0783   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  3  2  1  0  0  0  0\n  4  2  1  0  0  0  0\n  5  2  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 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 15  1  0  0  0  0\n 18 15  1  0  0  0  0\nM  CHG  2   2   1  15   1\nM  END",
          "smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C",
          "formula": "C16H38N2",
          "atropisomerism": "No",
          "charge": 2,
          "count": 1,
          "stereochemistry": "MIXED",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "07719086-c134-475a-8a2c-e21160ea676b"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "258.4869",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "e88308b8-d7e2-4a10-b295-7f5940cc3908",
      "version": "11",
      "structure": {
        "id": "4a25a849-106f-42fa-8fd8-fc571baee5dc",
        "molfile": "\n  Marvin  01132103532D          \n\n 20 17  0  0  0  0            999 V2000\n    0.6595   -0.9428    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.5111   -0.9892    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    7.7769   -1.3627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3833   -0.5822    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.0819   -1.6409    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0598   -1.6100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1731   -0.5023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.0783   -0.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1005   -0.3349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0000   -1.4400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0892   -0.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0814   -1.0227    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2453   -0.7419    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9150   -1.1901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6595   -0.8346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3473   -1.2828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.8156   -0.6595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5111   -1.1154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.8527   -0.1340    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n    8.5858    0.0000    0.0000 Br  0  5  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3 11  1  0  0  0  0\n  4  1  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  2  1  0  0  0  0\n  7  2  1  0  0  0  0\n  8  2  1  0  0  0  0\n  9  1  1  0  0  0  0\n 10  1  1  0  0  0  0\n 11 16  1  0  0  0  0\n 12  4  1  0  0  0  0\n 13 18  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15 14  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 12  1  0  0  0  0\n 18 17  1  0  0  0  0\nM  CHG  4   1   1   2   1  19  -1  20  -1\nM  END",
        "smiles": "C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C.[Br-].[Br-]",
        "formula": "C16H38N2.2Br",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "418.294",
        "optical_activity": "NONE",
        "references": [
          "7c0a0b14-3d36-4932-ac00-49712698ee8e",
          "f61088f1-7438-4097-bd21-bd9f009e3791",
          "801bbd6f-9118-4c3d-8760-4be8cf568f63"
        ],
        "stereo_centers": 0
      },
      "unii": "55C6RK944K"
    }
  ]
}