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        "molfile": "\n  Marvin  01132108062D          \n\n 44 43  0  0  0  0            999 V2000\n   21.9586   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.9586   -7.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6731   -7.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.3875   -7.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.1020   -7.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.8164   -7.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.5309   -7.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.2454   -7.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.9598   -7.4472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   22.6731   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   23.3875   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.1020   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   24.8164   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   25.5309   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.2454   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   26.9598   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   27.6743   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   28.3887   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   29.1031   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   21.2442   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   20.5298   -8.6847    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.8154   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   19.8154   -9.9222    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n   19.1009   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   18.3864   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   17.6720   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.9575   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   16.2431   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   15.5286   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.8142   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   14.0997   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   13.3852   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   12.6709   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.9564   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   11.2420   -9.0972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5275   -8.6847    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.5275   -7.8598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8131   -7.4473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.8131   -6.6223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0986   -6.2099    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.0986   -5.3848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3842   -4.9724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.3842   -4.1475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.6697   -3.7349    0.0000 C   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  1 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  1 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  2  0  0  0  0\n 22 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 31 32  1  0  0  0  0\n 32 33  1  0  0  0  0\n 33 34  1  0  0  0  0\n 34 35  1  0  0  0  0\n 35 36  2  0  0  0  0\n 36 37  1  0  0  0  0\n 37 38  1  0  0  0  0\n 38 39  1  0  0  0  0\n 39 40  1  0  0  0  0\n 40 41  1  0  0  0  0\n 41 42  1  0  0  0  0\n 42 43  1  0  0  0  0\n 43 44  1  0  0  0  0\nM  END",
        "smiles": "CCCCCCCC/C=C\\CCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC",
        "formula": "C42H82O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "RACEMIC",
        "defined_stereo": 0,
        "ez_centers": 1,
        "molecular_weight": "619.1009",
        "optical_activity": "( + / - )",
        "references": [
          "634ae9fd-1961-49b4-8058-3e8891896a9e"
        ],
        "stereo_centers": 1
      },
      "unii": "D4N66T98C2"
    }
  ]
}