[
  {
    "molid": "mol35191",
    "smiles": "CCCC1(CC)C(=O)NC(=O)NC1=O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC1(CC)C(=O)[N-]C(=O)NC1=O",
        "std_free_energy": -3.6671507358551025,
        "relative_population": 1.0
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "CCCC1(CC)C(=O)[N-]C(=O)[N-]C1=O",
        "std_free_energy": 7.812005996704102,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 12.0600004196167,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]