[
  {
    "molid": "mol35657",
    "smiles": "CCN(CCC(=O)O)CCC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC[NH+](CCC(=O)[O-])CCC(=O)O",
        "std_free_energy": -8.55625057220459,
        "relative_population": 0.9998462090627925
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC[NH+](CCC(=O)[O-])CCC(=O)[O-]",
        "std_free_energy": -13.870970726013184,
        "relative_population": 0.9998202838904038
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.59999990463257,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]