[
  {
    "molid": "mol34427",
    "smiles": "Nc1ccsc1C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "[NH3+]c1ccsc1C(=O)[O-]",
        "std_free_energy": -2.8060290813446045,
        "relative_population": 0.17826748081798433
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "Nc1ccsc1C(=O)O",
        "std_free_energy": -4.334158897399902,
        "relative_population": 0.8217325191820156
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "Nc1ccsc1C(=O)[O-]",
        "std_free_energy": -9.226032257080078,
        "relative_population": 0.9999999568084371
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.0,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]