[
  {
    "molid": "mol34688",
    "smiles": "CC(=O)C1=C(O)C(C)(C)C(O)=C(C(C)=O)C1=O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(=O)C1=C([O-])C(C)(C)C(O)=C(C(C)=O)C1=O",
        "std_free_energy": -7.690499305725098,
        "relative_population": 0.9992782550824233
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "CC(=O)C1=C([O-])C(C)(C)C([O-])=C(C(C)=O)C1=O",
        "std_free_energy": -3.881704568862915,
        "relative_population": 0.999773081165299
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]