[
  {
    "molid": "mol30814",
    "smiles": "Cc1cc(O)c(C(C)C)cc1N=C1C=CC(=O)C=C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1cc(O)c(C(C)C)cc1N=C1C=CC(=O)C=C1",
        "std_free_energy": -6.237359523773193,
        "relative_population": 0.9998685912956269
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc([O-])c(C(C)C)cc1N=C1C=CC(=O)C=C1",
        "std_free_energy": -1.0907220840454102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]