[
  {
    "molid": "mol38067",
    "smiles": "O=C(O)CN1CCNCCN(CC(=O)O)CCOCC1",
    "microspecies": [
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "O=C([O-])CN1CC[NH2+]CCN(CC(=O)[O-])CCOCC1",
        "std_free_energy": -13.654874801635742,
        "relative_population": 0.5849021241264688
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])CN1CCNCC[NH+](CC(=O)[O-])CCOCC1",
        "std_free_energy": -13.31174087524414,
        "relative_population": 0.4150133123454221
      },
      {
        "id": "-2_1",
        "charge": -2,
        "smiles": "O=C([O-])CN1CCNCCN(CC(=O)[O-])CCOCC1",
        "std_free_energy": -3.568084716796875,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 11.2399997711182,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]