[
  {
    "molid": "mol35004",
    "smiles": "CC(CC(=O)O)(CC(=O)O)C(C)(C)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(CC(=O)O)(CC(=O)O)C(C)(C)C(=O)O",
        "std_free_energy": -1.2378509044647217,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(CC(=O)O)(CC(=O)O)C(C)(C)C(=O)[O-]",
        "std_free_energy": -6.36035680770874,
        "relative_population": 0.24700841402037316
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(CC(=O)[O-])(CC(=O)O)C(C)(C)C(=O)O",
        "std_free_energy": -7.4749884605407715,
        "relative_population": 0.7529915859796269
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.45000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]