[
  {
    "molid": "mol2355",
    "smiles": "CC(=O)c1ccc(-c2ccccc2O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)c1ccc(-c2ccccc2O)cc1",
        "std_free_energy": -6.312222003936768,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)c1ccc(-c2ccccc2[O-])cc1",
        "std_free_energy": 0.13052336871623993,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.78,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]