[
  {
    "molid": "mol36524",
    "smiles": "CNC(=O)C1=C(C(=O)O)CCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CNC(=O)C1=C(C(=O)O)CCC1",
        "std_free_energy": -3.256462335586548,
        "relative_population": 1.0
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CNC(=O)C1=C(C(=O)[O-])CCC1",
        "std_free_energy": -9.944304466247559,
        "relative_population": 0.9999990505604428
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.19999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]