[
  {
    "molid": "mol36175",
    "smiles": "O=C(O)CNC(=O)C(S)CS",
    "microspecies": [
      {
        "id": "0_6",
        "charge": 0,
        "smiles": "O=C(O)CNC(=O)[C@H](S)CS",
        "std_free_energy": -2.876401424407959,
        "relative_population": 0.9999962993251479
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "O=C([O-])CNC(=O)[C@H](S)CS",
        "std_free_energy": -9.684067726135254,
        "relative_population": 0.9991232403393281
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.66000008583069,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]