[
  {
    "molid": "mol36167",
    "smiles": "O=C(O)CN1CCN(CC(=O)O)CC(=O)Nc2ccccc2NC(=O)C1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+]1CC[NH+](CC(=O)[O-])CC(=O)Nc2ccccc2NC(=O)C1",
        "std_free_energy": -9.472526550292969,
        "relative_population": 0.8051480822885161
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+]1CCN(CC(=O)O)CC(=O)Nc2ccccc2NC(=O)C1",
        "std_free_energy": -7.891446113586426,
        "relative_population": 0.1656613719650299
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C([O-])C[NH+]1CC[NH+](CC(=O)O)CC(=O)Nc2ccccc2NC(=O)C1",
        "std_free_energy": -0.7280125617980957,
        "relative_population": 0.9895982542985473
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.32999992370605,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]