[
  {
    "molid": "mol36586",
    "smiles": "NC(=O)NN=C(CS)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "NC(=O)NN=C(CS)C(=O)O",
        "std_free_energy": -2.880192279815674,
        "relative_population": 0.9980839482874124
      },
      {
        "id": "-1_4",
        "charge": -1,
        "smiles": "NC(=O)NN=C(CS)C(=O)[O-]",
        "std_free_energy": -10.29233169555664,
        "relative_population": 0.9994548787105466
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.5,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]