[
  {
    "molid": "mol34423",
    "smiles": "Cc1ccc(NC(=S)S)cc1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Cc1ccc(NC(=S)S)cc1",
        "std_free_energy": -3.721320390701294,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Cc1ccc(NC(=S)[S-])cc1",
        "std_free_energy": -12.175085067749023,
        "relative_population": 0.999999607154329
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]