[
  {
    "molid": "mol34118",
    "smiles": "CCSCP(=O)(O)O",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCSCP(=O)([O-])O",
        "std_free_energy": -11.84589958190918,
        "relative_population": 0.9999997532502579
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CCSCP(=O)([O-])[O-]",
        "std_free_energy": -11.87125015258789,
        "relative_population": 0.9999998857513006
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.05999994277954,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]