[
  {
    "molid": "mol34492",
    "smiles": "CC(C)Nc1cccc(S(=O)(=O)O)c1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)[NH2+]c1cccc(S(=O)(=O)[O-])c1",
        "std_free_energy": -3.7205512523651123,
        "relative_population": 0.9801348753532346
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)Nc1cccc(S(=O)(=O)[O-])c1",
        "std_free_energy": -8.967206001281738,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.23999977111816,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]