[
  {
    "molid": "mol22599",
    "smiles": "O=C(O)C(=O)C1CCCCC1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C(O)C(=O)[C@H]1CCCC[C@@H]1C(=O)O",
        "std_free_energy": -0.4761482775211334,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C(=O)[C@H]1CCCC[C@@H]1C(=O)O",
        "std_free_energy": -9.56929874420166,
        "relative_population": 0.8090490393454547
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C(O)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -8.125455856323242,
        "relative_population": 0.1909509606545454
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.58,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]