[
  {
    "molid": "mol35847",
    "smiles": "CCOC(=O)C(Sc1ccccc1)S(=O)(=O)c1ccccc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCOC(=O)[C@H](Sc1ccccc1)S(=O)(=O)c1ccccc1",
        "std_free_energy": -4.311641216278076,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCOC(=O)[C-](Sc1ccccc1)S(=O)(=O)c1ccccc1",
        "std_free_energy": 1.1118361949920654,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.89999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]