[
  {
    "molid": "mol34781",
    "smiles": "CC(CSC(C)(C)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@H](CSC(C)(C)C(=O)O)C(=O)O",
        "std_free_energy": -1.6391808986663818,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "C[C@H](CSC(C)(C)C(=O)[O-])C(=O)O",
        "std_free_energy": -8.978879928588867,
        "relative_population": 0.7085386248941571
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "C[C@H](CSC(C)(C)C(=O)O)C(=O)[O-]",
        "std_free_energy": -8.090582847595215,
        "relative_population": 0.2914613751058428
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.76999998092651,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]