[
  {
    "molid": "mol34938",
    "smiles": "CC1=CC(=C(c2cc(C)c(O)c(C(=O)O)c2)c2ccccc2S(=O)(=O)O)C=C(C(=O)O)C1=O",
    "microspecies": [
      {
        "id": "-4_1",
        "charge": -4,
        "smiles": "CC1=CC(=C(c2cc(C)c([O-])c(C(=O)[O-])c2)c2ccccc2S(=O)(=O)[O-])C=C(C(=O)[O-])C1=O",
        "std_free_energy": -1.1934089660644531,
        "relative_population": 1.0
      },
      {
        "id": "-3_4",
        "charge": -3,
        "smiles": "CC1=CC(=C(c2cc(C)c(O)c(C(=O)[O-])c2)c2ccccc2S(=O)(=O)[O-])C=C(C(=O)[O-])C1=O",
        "std_free_energy": -12.802465438842773,
        "relative_population": 0.9997712103936024
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8000001907349,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "QSARToolbox"
      }
    ]
  }
]