[
  {
    "molid": "mol34617",
    "smiles": "COc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)O)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)O)cc1",
        "std_free_energy": -3.6429567337036133,
        "relative_population": 0.9196117891743347
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "COc1ccc(S(=O)(=O)c2ccc([NH3+])cc2C(=O)[O-])cc1",
        "std_free_energy": -1.205872654914856,
        "relative_population": 0.08038821082566519
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "COc1ccc(S(=O)(=O)c2ccc(N)cc2C(=O)[O-])cc1",
        "std_free_energy": -10.956676483154297,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.60999989509583,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]