[
  {
    "molid": "mol31222",
    "smiles": "O=C1C(O)=C(O)C(=O)C(O)(O)C1(O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C(O)=C(O)C(=O)C(O)(O)C1(O)O",
        "std_free_energy": -1.272676706314087,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1C([O-])=C(O)C(=O)C(O)(O)C1(O)O",
        "std_free_energy": -6.026269912719727,
        "relative_population": 0.9624476393036906
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.25,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]