[
  {
    "molid": "mol28622",
    "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)Nc2ccccc2)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)Nc2ccccc2)cc1",
        "std_free_energy": -4.964912414550781,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)[N-]c2ccccc2)cc1",
        "std_free_energy": -3.459365129470825,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05000019073486,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]