[
  {
    "molid": "mol36297",
    "smiles": "O=C1CC2(CCOc3ccc(F)cc32)S(=O)(=O)C1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C[C@]2(CCOc3ccc(F)cc32)S(=O)(=O)C1",
        "std_free_energy": -4.83090353012085,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C1[CH-]S(=O)(=O)[C@@]2(CCOc3ccc(F)cc32)C1",
        "std_free_energy": -8.105315208435059,
        "relative_population": 0.9994434806040807
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.40000009536743,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]