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          "molfile": "\n  Marvin  01132112192D          \n\n 22 22  0  0  0  0            999 V2000\n    2.0765   -5.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7928   -5.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5060   -5.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2222   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9355   -5.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6518   -5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3651   -5.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0813   -5.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7946   -5.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5108   -5.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2242   -5.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9403   -5.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6536   -5.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3699   -5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0832   -5.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.8023   -5.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5214   -5.6912    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   13.5214   -6.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2318   -6.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9481   -6.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9481   -5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2318   -5.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  1  2  1  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  1  0  0  0  0\n  4  5  1  0  0  0  0\n  5  6  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  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 16 17  1  0  0  0  0\n 18 17  1  0  0  0  0\n 22 17  2  0  0  0  0\n 19 18  2  0  0  0  0\n 19 20  1  0  0  0  0\n 20 21  2  0  0  0  0\n 21 22  1  0  0  0  0\nM  CHG  1  17   1\nM  END",
          "smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1",
          "formula": "C21H38N",
          "atropisomerism": "No",
          "charge": 1,
          "count": 1,
          "stereochemistry": "ACHIRAL",
          "count_amount": {
            "type": "MOL RATIO",
            "average": 1,
            "units": "MOL RATIO",
            "uuid": "3c56e320-e60d-495a-bdb4-a17e7a252489"
          },
          "defined_stereo": 0,
          "ez_centers": 0,
          "molecular_weight": "304.5339",
          "optical_activity": "NONE",
          "stereo_centers": 0
        }
      ],
      "definition_level": "COMPLETE",
      "uuid": "42ce6eb0-1093-4c3a-9998-d7b0ad32d5e4",
      "version": "14",
      "structure": {
        "id": "3285cd7a-c925-4698-a19a-8b8d6941067a",
        "molfile": "\n  Marvin  01132102422D          \n\n 23 22  0  0  0  0            999 V2000\n   13.5214   -5.6912    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n   12.8023   -5.2737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2318   -5.2824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.5214   -6.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0832   -5.6854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.7928   -5.2360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2318   -6.9207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9481   -5.6970    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.5060   -5.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.2222   -5.2417    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.9355   -5.6564    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.6518   -5.2476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.3651   -5.6622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0813   -5.2534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7946   -5.6680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5108   -5.2592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.2242   -5.6738    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9403   -5.2650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.6536   -5.6796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3699   -5.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0765   -5.6448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.9481   -6.5060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.9339   -5.6970    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n  2  1  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  1  1  0  0  0  0\n  5  2  1  0  0  0  0\n  6  9  1  0  0  0  0\n  7  4  2  0  0  0  0\n  8  3  1  0  0  0  0\n  9 10  1  0  0  0  0\n 10 11  1  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 16 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  1  0  0  0  0\n 20  5  1  0  0  0  0\n 21  6  1  0  0  0  0\n 22  8  2  0  0  0  0\n  7 22  1  0  0  0  0\nM  CHG  2   1   1  23  -1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCC[n+]1ccccc1.[Cl-]",
        "formula": "C21H38N.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "339.9868",
        "optical_activity": "NONE",
        "references": [
          "51ef565c-3e95-43af-be49-0423ee499e98",
          "20042f90-dc82-49a1-9b71-0ddafc9ec2d4"
        ],
        "stereo_centers": 0
      },
      "unii": "6BR7T22E2S"
    }
  ]
}