[
  {
    "molid": "mol34723",
    "smiles": "CC(=O)NCCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(=O)NCC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -13.78162956237793,
        "relative_population": 0.97662640046929
      },
      {
        "id": "-2_2",
        "charge": -2,
        "smiles": "CC(=O)NCCN(CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -9.913785934448242,
        "relative_population": 0.999997818636992
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.17000007629395,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]