[
  {
    "molid": "mol37069",
    "smiles": "COc1cc(/C=C/C(O)=CC(=O)/C=C/c2ccccc2)ccc1O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1cc(/C=C/C(O)=C/C(=O)/C=C/c2ccccc2)ccc1[O-]",
        "std_free_energy": -1.1960983276367188,
        "relative_population": 0.44376590264438637
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1cc(/C=C/C([O-])=C/C(=O)/C=C/c2ccccc2)ccc1O",
        "std_free_energy": -1.4219903945922852,
        "relative_population": 0.5562340973556136
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1cc(/C=C/C([O-])=C/C(=O)/C=C/c2ccccc2)ccc1[O-]",
        "std_free_energy": 8.934956550598145,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.6999998092651,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]