[
  {
    "molid": "mol35936",
    "smiles": "O=[N+]([O-])c1cccc(NS(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1cccc([N-]S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)c1",
        "std_free_energy": -4.492995262145996,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1cccc([N-]S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c1",
        "std_free_energy": 4.446243762969971,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.13000011444092,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]