[
  {
    "molid": "mol37535",
    "smiles": "O=[N+]([O-])c1ccc(O)c2c(S(=O)(=O)O)cccc12",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=[N+]([O-])c1ccc(O)c2c(S(=O)(=O)[O-])cccc12",
        "std_free_energy": -9.169754028320312,
        "relative_population": 0.9993277671480003
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=[N+]([O-])c1ccc([O-])c2c(S(=O)(=O)[O-])cccc12",
        "std_free_energy": -6.147847652435303,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.19999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]