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        "molfile": "\n  Marvin  01132111402D          \n\n 14 13  0  0  0  0            999 V2000\n    9.5507   -5.8045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2662   -6.2215    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n   10.2662   -7.0459    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    9.5507   -4.9827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8394   -4.5632    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.8394   -3.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    8.1249   -3.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    7.4102   -3.7388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.7054   -3.3307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9882   -3.7418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.2789   -3.3280    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5633   -3.7434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.8466   -3.3266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.9882   -4.5634    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  4  1  1  0  0  0  0\n  5  4  1  0  0  0  0\n  5  6  1  0  0  0  0\n  7  6  2  0  0  0  0\n  8  7  1  0  0  0  0\n  9  8  2  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 10 14  2  0  0  0  0\nM  END",
        "smiles": "CCCCC/C=C\\C=C\\C(=O)OCC",
        "formula": "C12H20O2",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 2,
        "molecular_weight": "196.2865",
        "optical_activity": "NONE",
        "references": [
          "c4734c10-8f2a-4f72-bff3-45a6fcaac727",
          "9d82c745-1f85-42b9-8dbf-628d5a7f4d99"
        ],
        "stereo_centers": 0
      },
      "unii": "79P6KS9Y5Z"
    }
  ]
}