[
  {
    "molid": "mol35687",
    "smiles": "Cc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)O)cc1",
        "std_free_energy": -3.491288900375366,
        "relative_population": 0.9236631117700621
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Cc1ccc(S(=O)(=O)c2ccc([NH3+])cc2C(=O)[O-])cc1",
        "std_free_energy": -0.9980977773666382,
        "relative_population": 0.07633688822993787
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "Cc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)[O-])cc1",
        "std_free_energy": -11.064582824707031,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.42000007629395,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]