[
  {
    "molid": "mol37559",
    "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccc(O)cc2)cc1[N+](=O)[O-]",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccc(O)cc2)cc1[N+](=O)[O-]",
        "std_free_energy": -5.35258674621582,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(OS(=O)(=O)/C=C/c2ccc([O-])cc2)cc1[N+](=O)[O-]",
        "std_free_energy": -2.153925895690918,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.78000020980835,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]