[
  {
    "molid": "mol36911",
    "smiles": "O=C(O)CN(CCN(CCO)CCO)CC(=O)O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+](CC[NH+](CCO)CCO)CC(=O)[O-]",
        "std_free_energy": -12.874176025390625,
        "relative_population": 0.9898830642229471
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])C[NH+](CCN(CCO)CCO)CC(=O)[O-]",
        "std_free_energy": -14.135316848754883,
        "relative_population": 0.582225170708396
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "O=C([O-])CN(CC[NH+](CCO)CCO)CC(=O)[O-]",
        "std_free_energy": -13.800525665283203,
        "relative_population": 0.4165748180665274
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.6399998664856,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]