[
  {
    "molid": "mol34497",
    "smiles": "COc1ccc(-c2noc(O)c2N=Nc2ccc(S(=O)(=O)O)cc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(-c2noc([O-])c2N=Nc2ccc(S(=O)(=O)O)cc2)cc1",
        "std_free_energy": -8.78622817993164,
        "relative_population": 0.7247718578021235
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "COc1ccc(-c2noc(O)c2N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1",
        "std_free_energy": -7.81627082824707,
        "relative_population": 0.2747604356073245
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "COc1ccc(-c2noc([O-])c2N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1",
        "std_free_energy": -12.83582878112793,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.15999984741211,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]