[
  {
    "molid": "mol34907",
    "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": -8.953634262084961,
        "relative_population": 0.7884415578565609
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC1(C)C[C@@](C)(C(=O)[O-])C[C@@H]1C(=O)O",
        "std_free_energy": -7.638077259063721,
        "relative_population": 0.21155844214343913
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CC1(C)C[C@@](C)(C(=O)[O-])C[C@@H]1C(=O)[O-]",
        "std_free_energy": -9.886606216430664,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.38000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]