[
  {
    "molid": "mol35686",
    "smiles": "Cc1ccc(S(=O)(=O)Oc2ccc3cc(S(=O)(=O)O)cc(O)c3c2)cc1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)Oc2ccc3cc(S(=O)(=O)[O-])cc(O)c3c2)cc1",
        "std_free_energy": -8.49359130859375,
        "relative_population": 0.9996718332411791
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(S(=O)(=O)Oc2ccc3cc(S(=O)(=O)[O-])cc([O-])c3c2)cc1",
        "std_free_energy": -2.905266761779785,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]