[
  {
    "molid": "mol34023",
    "smiles": "Nc1cc(Cl)ccc1OS(=O)(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cc(Cl)ccc1OS(=O)(=O)O",
        "std_free_energy": 1.9795767068862915,
        "relative_population": 0.9036252097307209
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "[NH3+]c1cc(Cl)ccc1OS(=O)(=O)[O-]",
        "std_free_energy": 4.217746734619141,
        "relative_population": 0.0963747902692791
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Nc1cc(Cl)ccc1OS(=O)(=O)[O-]",
        "std_free_energy": -9.973094940185547,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.20000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]