[
  {
    "molid": "mol35594",
    "smiles": "Cc1ccc(-c2noc(O)c2N=Nc2ccc(S(=O)(=O)O)cc2)cc1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(-c2noc([O-])c2N=Nc2ccc(S(=O)(=O)O)cc2)cc1",
        "std_free_energy": -8.22865104675293,
        "relative_population": 0.7801549091489579
      },
      {
        "id": "-1_5",
        "charge": -1,
        "smiles": "Cc1ccc(-c2noc(O)c2N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1",
        "std_free_energy": -6.959606170654297,
        "relative_population": 0.21930152850780102
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "Cc1ccc(-c2noc([O-])c2N=Nc2ccc(S(=O)(=O)[O-])cc2)cc1",
        "std_free_energy": -13.185508728027344,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.34999990463257,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]