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        "molfile": "\n  Marvin  01132100522D          \n\n 28 26  0  0  0  0            999 V2000\n   13.0436   -5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8686   -5.6037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2811   -4.8893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6311   -6.3182    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n   13.0436   -7.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.8686   -7.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.2811   -7.7472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   11.8061   -6.3182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.3936   -7.0327    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5686   -7.0327    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531   -1.9123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406   -2.6268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531   -3.3413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406   -4.0557    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531   -4.7702    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406   -5.4846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531   -6.1992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406   -6.9136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531   -7.6281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406   -8.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531   -9.0570    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406   -9.7715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531  -10.4860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406  -11.2004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.9531  -11.9150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406  -12.6294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.5406   -1.1979    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.7781   -1.9123    0.0000 O   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  1  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  4  8  1  0  0  0  0\n  8  9  1  0  0  0  0\n  9 10  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 11 27  1  0  0  0  0\n 11 28  2  0  0  0  0\nM  END",
        "smiles": "CCCCCCCCCCCCCCCC(=O)O.C(CO)N(CCO)CCO",
        "formula": "C16H32O2.C6H15NO3",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "405.6131",
        "optical_activity": "NONE",
        "references": [
          "34418b46-5455-476f-962b-12c7e5cdab83",
          "225c5621-f9ea-49c0-bd93-b0eed70b8757"
        ],
        "stereo_centers": 0
      },
      "unii": "QV8D9F3UKB"
    }
  ]
}