[
  {
    "molid": "mol34396",
    "smiles": "COc1ccc(NC(=S)S)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "COc1ccc(NC(=S)S)cc1",
        "std_free_energy": -3.562674045562744,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "COc1ccc(NC(=S)[S-])cc1",
        "std_free_energy": -12.177773475646973,
        "relative_population": 0.9999998587098964
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]