[
  {
    "molid": "mol34444",
    "smiles": "CC(C)CCc1ccc(C(C)C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)CCc1ccc([C@H](C)C(=O)O)cc1",
        "std_free_energy": -3.9587135314941406,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)CCc1ccc([C@H](C)C(=O)[O-])cc1",
        "std_free_energy": -9.009831428527832,
        "relative_population": 0.9999999655216689
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 6.92000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]