[
  {
    "molid": "mol34032",
    "smiles": "[O-][S+](O)CCO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[O-][S@+](O)CCO",
        "std_free_energy": -3.165842056274414,
        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "[O-]CC[S@+]([O-])O",
        "std_free_energy": 8.943845748901367,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.09999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]