[
  {
    "molid": "mol34421",
    "smiles": "Cc1cc(O)c(C(=O)O)cc1S(=O)(=O)O",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "Cc1cc([O-])c(C(=O)[O-])cc1S(=O)(=O)[O-]",
        "std_free_energy": -2.125457286834717,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)O",
        "std_free_energy": -7.686301231384277,
        "relative_population": 0.9846384578459496
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)[O-]",
        "std_free_energy": -13.152615547180176,
        "relative_population": 0.9998589086131836
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.09999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 12.9700002670288,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]