[
  {
    "molid": "mol35316",
    "smiles": "C/C(OS(=O)(=O)O)=C1\\C=CC=CC1=[N+]([O-])O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C/C(OS(=O)(=O)[O-])=C1\\C=CC=CC1=[N+]([O-])O",
        "std_free_energy": -9.812304496765137,
        "relative_population": 0.9999999917280491
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "C/C(OS(=O)(=O)[O-])=C1\\C=CC=CC1=[N+]([O-])[O-]",
        "std_free_energy": -10.676581382751465,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.75999999046326,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]