[
  {
    "molid": "mol37386",
    "smiles": "O=C1C=CC(=Nc2cc(S(=O)(=O)O)c(O)c3ccccc23)C=C1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1C=CC(=Nc2cc(S(=O)(=O)[O-])c(O)c3ccccc23)C=C1",
        "std_free_energy": -9.004207611083984,
        "relative_population": 0.9862527553276178
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C1C=CC(=Nc2cc(S(=O)(=O)[O-])c([O-])c3ccccc23)C=C1",
        "std_free_energy": -4.124547481536865,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.69999980926514,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]