[
  {
    "molid": "mol34434",
    "smiles": "CCCCCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCCC[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": -6.931051731109619,
        "relative_population": 0.9971665429119092
      },
      {
        "id": "-1_2",
        "charge": -1,
        "smiles": "CCCCC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -14.366125106811523,
        "relative_population": 0.9990120509106053
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.46000003814697,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]