[
  {
    "molid": "mol34933",
    "smiles": "CC1(C(=O)O)OC(=O)CS1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@]1(C(=O)O)OC(=O)CS1",
        "std_free_energy": -0.4564025402069092,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@@]1(C(=O)[O-])OC(=O)CS1",
        "std_free_energy": -11.539608001708984,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 1.99000000953674,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]