[
  {
    "molid": "mol30783",
    "smiles": "COc1ccc(NC(=O)c2ccc(O)cc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NC(=O)c2ccc(O)cc2)cc1",
        "std_free_energy": -6.551120758056641,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(NC(=O)c2ccc([O-])cc2)cc1",
        "std_free_energy": -1.5894094705581665,
        "relative_population": 0.9827612035226037
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.55,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]