[
  {
    "molid": "mol35391",
    "smiles": "CCCCN=C(N)C(=O)O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CCCC[NH+]=C(N)C(=O)[O-]",
        "std_free_energy": -12.447646141052246,
        "relative_population": 0.9998102517345374
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCCN=C(N)C(=O)[O-]",
        "std_free_energy": -3.559640407562256,
        "relative_population": 0.9988957793038712
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.8000001907349,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]