[
  {
    "molid": "mol34905",
    "smiles": "CC1(C)C[C@](C)(C(=O)O)C[C@H]1C(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC1(C)C[C@](C)(C(=O)O)C[C@H]1C(=O)[O-]",
        "std_free_energy": -8.695293426513672,
        "relative_population": 0.7512783919632134
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)C[C@](C)(C(=O)[O-])C[C@H]1C(=O)O",
        "std_free_energy": -7.589851379394531,
        "relative_population": 0.24872160803678656
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1(C)C[C@](C)(C(=O)[O-])C[C@H]1C(=O)[O-]",
        "std_free_energy": -10.044891357421875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.38000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]