[
  {
    "molid": "mol33911",
    "smiles": "O=C(O)c1ccc(C(=O)O)s1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccc(C(=O)O)s1",
        "std_free_energy": -8.664128303527832,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])c1ccc(C(=O)[O-])s1",
        "std_free_energy": -13.192731857299805,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.04999995231628,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]