[
  {
    "molid": "mol21782",
    "smiles": "O=C1CC(C(=O)O)CC(=O)C1=C(O)C1CC1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C1CC(C(=O)O)CC(=O)C1=C([O-])C1CC1",
        "std_free_energy": -7.37005615234375,
        "relative_population": 0.5146802182338803
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1CC(C(=O)[O-])CC(=O)C1=C(O)C1CC1",
        "std_free_energy": -7.311318397521973,
        "relative_population": 0.48531978176611973
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1CC(C(=O)[O-])CC(=O)C1=C([O-])C1CC1",
        "std_free_energy": -8.951024055480957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.32,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      }
    ]
  }
]