[
  {
    "molid": "mol31240",
    "smiles": "CC(=O)CC1=C(O)C(=O)c2ccccc2C1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)CC1=C(O)C(=O)c2ccccc2C1=O",
        "std_free_energy": -2.5167319774627686,
        "relative_population": 1.0
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CC(=O)CC1=C([O-])C(=O)c2ccccc2C1=O",
        "std_free_energy": -6.993058681488037,
        "relative_population": 0.953664493226418
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.12,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]