[
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    "molid": "mol35991",
    "smiles": "O=C(O)C1CCCc2nonc21",
    "microspecies": [
      {
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        "charge": 0,
        "smiles": "O=C([O-])[C@@H]1CCCc2no[nH+]c21",
        "std_free_energy": -1.367460012435913,
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        "id": "0_2",
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        "smiles": "O=C([O-])[C@@H]1CCCc2[nH+]onc21",
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        "id": "0_3",
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        "smiles": "O=C(O)[C@@H]1CCCc2nonc21",
        "std_free_energy": -3.1958611011505127,
        "relative_population": 0.7730064451782622
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        "id": "-1_1",
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        "std_free_energy": -10.256522178649902,
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    ],
    "macro_pka_values": [
      {
        "pka_value": 3.29999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]