[
  {
    "molid": "mol30815",
    "smiles": "Cc1cc(N=C2C=CC(=O)C=C2)c(C(C)C)cc1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1cc(N=C2C=CC(=O)C=C2)c(C(C)C)cc1O",
        "std_free_energy": -5.765025615692139,
        "relative_population": 0.9992893822989521
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(N=C2C=CC(=O)C=C2)c(C(C)C)cc1[O-]",
        "std_free_energy": -1.7136726379394531,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]