[
  {
    "molid": "mol23127",
    "smiles": "C=COc1ccc(Nc2ccccc2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C=COc1ccc(Nc2ccccc2C(=O)O)cc1",
        "std_free_energy": -4.981120586395264,
        "relative_population": 0.9976215716650085
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C=COc1ccc(Nc2ccccc2C(=O)[O-])cc1",
        "std_free_energy": -9.528999328613281,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.8,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]