[
  {
    "molid": "mol30640",
    "smiles": "O=C1C=C(c2ccccc2)C(=O)C=C1O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=C(c2ccccc2)C(=O)C=C1O",
        "std_free_energy": -1.791250228881836,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C=C(c2ccccc2)C(=O)C=C1[O-]",
        "std_free_energy": -7.7349090576171875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]