[
  {
    "molid": "mol35001",
    "smiles": "CC(C)(C(O)(O)O)C(C(=O)O)(c1ccccc1)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(C)(C(O)(O)O)C(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -1.6461405754089355,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C(O)(O)O)C(C(=O)[O-])(c1ccccc1)c1ccccc1",
        "std_free_energy": -8.670353889465332,
        "relative_population": 0.8812728719960078
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CC(C)(C([O-])(O)O)C(C(=O)O)(c1ccccc1)c1ccccc1",
        "std_free_energy": -6.665814399719238,
        "relative_population": 0.1187271280039922
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]