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        "molfile": "\n  Marvin  01132112072D          \n\n 29 28  0  0  0  0            999 V2000\n    9.6457   -5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.3502   -4.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.0827   -5.2466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.7883   -4.8284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5196   -5.2336    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.2299   -4.8152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9624   -5.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.6669   -4.8021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.3795   -5.2150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8516   -5.2550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1192   -4.8492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4099   -5.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6822   -4.8622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9720   -5.2806    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2405   -4.8706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5397   -5.2899    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8026   -4.8883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.1026   -5.3030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3655   -4.9014    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    1.6352   -5.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9127   -4.9003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9127   -4.0730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2093   -3.6650    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5194   -4.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.5194   -4.9046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.1841   -5.3196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3371   -4.3161    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0256   -4.1461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.2976   -6.6372    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  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  8  9  1  0  0  0  0\n  1 10  2  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 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  2  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  2  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  2  0  0  0  0\n 26 21  1  0  0  0  0\n 27 19  1  0  0  0  0\n 28 19  1  0  0  0  0\nM  CHG  2  19   1  29  -1\nM  END",
        "smiles": "CCCCCCCC/C=C\\CCCCCCCC[N+](C)(C)Cc1ccccc1.[Cl-]",
        "formula": "C27H48N.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "422.1307",
        "optical_activity": "NONE",
        "references": [
          "94eec66b-3640-4d72-aec2-46c8ab2719eb",
          "fde7b4cf-450a-405d-8891-035626bb6e65"
        ],
        "stereo_centers": 0
      },
      "unii": "3ZPS90WA31"
    }
  ]
}