[
  {
    "molid": "mol37883",
    "smiles": "O=S(=O)(O)c1cc(O)cc(S(=O)(=O)O)c1O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cc([O-])cc(S(=O)(=O)[O-])c1O",
        "std_free_energy": -3.548027515411377,
        "relative_population": 0.42028200742427413
      },
      {
        "id": "-3_2",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cc(O)cc(S(=O)(=O)[O-])c1[O-]",
        "std_free_energy": -3.868396520614624,
        "relative_population": 0.578995634261943
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(O)cc(S(=O)(=O)[O-])c1O",
        "std_free_energy": -12.948198318481445,
        "relative_population": 0.9998400483465427
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.48999977111816,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]