[
  {
    "molid": "mol22550",
    "smiles": "C[C@@]1(C(=O)O)C[C@]1(C)C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)O",
        "std_free_energy": -8.741910934448242,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C[C@@]1(C(=O)[O-])C[C@]1(C)C(=O)[O-]",
        "std_free_energy": -9.615190505981445,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.97000002861023,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 4.06,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.56,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]