[
  {
    "molid": "mol36299",
    "smiles": "O=C(O)C[C@@H]1CCC[C@@H]1C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C(O)C[C@@H]1CCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -8.169078826904297,
        "relative_population": 0.4477017491908229
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])C[C@@H]1CCC[C@@H]1C(=O)O",
        "std_free_energy": -8.379039764404297,
        "relative_population": 0.552298250809177
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])C[C@@H]1CCC[C@@H]1C(=O)[O-]",
        "std_free_energy": -10.196683883666992,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.40000009536743,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]