[
  {
    "molid": "mol11313",
    "smiles": "O=S(=O)(O)c1cc(S(=O)(=O)O)c2cc(O)ccc2c1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc([O-])ccc2c1",
        "std_free_energy": -3.4680819511413574,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cc(S(=O)(=O)[O-])c2cc(O)ccc2c1",
        "std_free_energy": -11.178140640258789,
        "relative_population": 0.9995551717411357
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.7,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.99,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "OCHEM"
      },
      {
        "pka_value": 8.60999965667725,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]