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        "molfile": "\n  Marvin  01132105372D          \n\n 44 43  0  0  0  0            999 V2000\n   -7.8748   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -7.1369   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -6.3942   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -5.6854   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.9426   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -4.1756   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -3.4620   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -2.6902   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.9523   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -1.2096   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   -0.4716   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.2711   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    0.9846   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.7517   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.4653   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.2177   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.9264   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6839   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.6839   -8.0902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    5.4266   -5.9591    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    6.1693   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9072   -6.3087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.9023   -5.4980    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1272   -4.8824    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.5901   -4.0023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.3847   -4.0500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.9247   -3.3862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.7149   -3.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2244   -2.7509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.0494   -2.7474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.5545   -2.1006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3795   -2.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.9154   -1.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.7141   -1.4448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.2454   -0.7853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.0400   -0.7966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.5495   -0.1477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.3745   -0.1442    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.8840    0.5046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.7309    0.5188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.2404    1.1676    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0359   -5.8790    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6499   -6.6679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.7082   -7.7068    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  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 17 18  1  0  0  0  0\n 19 18  2  0  0  0  0\n 18 20  1  0  0  0  0\n 20 21  1  0  0  0  0\n 21 22  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 27 26  1  0  0  0  0\n 28 27  1  0  0  0  0\n 29 28  1  0  0  0  0\n 30 29  1  0  0  0  0\n 31 30  1  0  0  0  0\n 32 31  1  0  0  0  0\n 33 32  1  0  0  0  0\n 34 33  1  0  0  0  0\n 35 34  1  0  0  0  0\n 36 35  1  0  0  0  0\n 37 36  1  0  0  0  0\n 38 37  1  0  0  0  0\n 39 38  1  0  0  0  0\n 40 39  1  0  0  0  0\n 41 40  1  0  0  0  0\n 42 24  2  0  0  0  0\n 22 43  1  0  0  0  0\n 43 44  1  0  0  0  0\nM  END",
        "smiles": "CCCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCCC",
        "formula": "C39H76O5",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "625.0192",
        "optical_activity": "( + / - )",
        "references": [
          "d880e3a0-4f79-481d-8aa9-02f7f1f90531",
          "93a6d4ed-47c7-4d76-9a7d-64d48991493e"
        ],
        "stereo_centers": 1
      },
      "unii": "93TWS7F2GX"
    }
  ]
}