[
  {
    "molid": "mol11304",
    "smiles": "O=S(=O)(O)c1cccc2c(O)cccc12",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=S(=O)([O-])c1cccc2c(O)cccc12",
        "std_free_energy": -7.959671974182129,
        "relative_population": 0.9999892592012302
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1cccc2c([O-])cccc12",
        "std_free_energy": -1.9632389545440674,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 9.11,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.0,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]