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      "structure": {
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        "molfile": "\n  Marvin  01132113012D          \n\n 33 32  0  0  0  0            999 V2000\n    6.7900   -5.8886    0.0000 Cl  0  5  0  0  0  0  0  0  0  0  0  0\n    7.7367   -5.5318    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    8.4537   -5.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4537   -4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7367   -3.8858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0267   -4.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.0267   -5.1362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7367   -6.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4537   -6.7857    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.1671   -6.3618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8841   -6.7539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5977   -6.3618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3147   -6.7857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0352   -6.3689    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7416   -6.7927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4445   -6.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1616   -6.8034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8750   -6.3795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8750   -5.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5849   -5.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5849   -4.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8750   -3.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.1616   -4.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.4339   -3.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.7416   -4.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0352   -3.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3218   -4.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5977   -3.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8841   -4.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8841   -5.1539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5977   -5.5601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0352   -5.5777    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.4537   -7.5980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  4  2  0  0  0  0\n  4  5  1  0  0  0  0\n  6  5  2  0  0  0  0\n  2  7  2  0  0  0  0\n  7  6  1  0  0  0  0\n  2  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 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 21  1  0  0  0  0\n 21 22  1  0  0  0  0\n 22 23  1  0  0  0  0\n 23 24  1  0  0  0  0\n 24 25  1  0  0  0  0\n 25 26  1  0  0  0  0\n 26 27  1  0  0  0  0\n 27 28  1  0  0  0  0\n 28 29  1  0  0  0  0\n 29 30  1  0  0  0  0\n 30 31  1  0  0  0  0\n 14 32  2  0  0  0  0\n  9 33  2  0  0  0  0\nM  CHG  2   1  -1   2   1\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCCNC(=O)C[n+]1ccccc1.[Cl-]",
        "formula": "C27H47N2O3.Cl",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "483.1276",
        "optical_activity": "NONE",
        "references": [
          "51b3e1f1-8ed0-42fb-96f8-826c1a5e0704",
          "ff9e78fa-cffd-4aef-87b6-95a6613f948d"
        ],
        "stereo_centers": 0
      },
      "unii": "C9842BS3SX"
    }
  ]
}