[
  {
    "molid": "mol38248",
    "smiles": "O=S(=O)(O)c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2O)cc1",
    "microspecies": [
      {
        "id": "-3_1",
        "charge": -3,
        "smiles": "O=S(=O)([O-])c1ccc(-n2nc(-c3ccccc3[O-])nc2-c2ccccc2[O-])cc1",
        "std_free_energy": 6.441706657409668,
        "relative_population": 1.0
      },
      {
        "id": "-2_3",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(-n2nc(-c3ccccc3O)nc2-c2ccccc2[O-])cc1",
        "std_free_energy": -3.4623606204986572,
        "relative_population": 0.4568384030361297
      },
      {
        "id": "-2_5",
        "charge": -2,
        "smiles": "O=S(=O)([O-])c1ccc(-n2nc(-c3ccccc3[O-])nc2-c2ccccc2O)cc1",
        "std_free_energy": -3.6353659629821777,
        "relative_population": 0.5431225944861325
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.1000003814697,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "QSARToolbox"
      }
    ]
  }
]