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      "structure": {
        "id": "31e80c5a-4d79-4d69-b6a4-27389ef9bee7",
        "molfile": "\n  Marvin  01132102402D          \n\n 28 26  0  0  0  0            999 V2000\n    6.6922   -1.6223    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    2.5520   -3.2971    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.3770   -3.2971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.7895   -4.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6145   -4.0115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.0270   -4.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8520   -4.7260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.2645   -5.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0896   -5.4405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5020   -6.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3271   -6.1549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7396   -6.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5646   -6.8695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9771   -7.5839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.3385   -2.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.5416   -2.2866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.3280   -1.4897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.5311   -1.2762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.3176   -0.4793    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4793   -0.2658    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.6928    0.5311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.4897    0.7447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.7033    1.5416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.5002    1.7551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.7137    2.5520    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.5106    2.7656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7395   -3.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.6239   -4.1189    0.0000 C   0  0  0  0  0  0  0  0  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 13 12  1  0  0  0  0\n 14 13  1  0  0  0  0\n 15  2  1  0  0  0  0\n 16 15  1  0  0  0  0\n 17 16  1  0  0  0  0\n 18 17  1  0  0  0  0\n 19 18  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 21  1  0  0  0  0\n 23 22  1  0  0  0  0\n 24 23  1  0  0  0  0\n 25 24  1  0  0  0  0\n 26 25  1  0  0  0  0\n  2 27  1  0  0  0  0\n  2 28  1  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
        "smiles": "CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC.[Cl-]",
        "formula": "C26H56N.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "418.1835",
        "optical_activity": "NONE",
        "references": [
          "d7087a8a-945e-4359-8ddb-7933e435318d",
          "9d60a439-d058-463b-8505-0e16bef5bb11"
        ],
        "stereo_centers": 0
      },
      "unii": "5M7W5MLR2Z"
    }
  ]
}