[
  {
    "molid": "mol38315",
    "smiles": "O=C(O)CN1CCCN(CC(=O)O)CCC1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN1CCC[NH+](CC(=O)[O-])CCC1",
        "std_free_energy": -13.871495246887207,
        "relative_population": 0.9999465303971355
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN1CCCN(CC(=O)[O-])CCC1",
        "std_free_energy": -3.1192479133605957,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.3999996185303,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]