[
  {
    "molid": "mol34353",
    "smiles": "CCCCN(CC(=O)O)CC(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CCCC[NH+](CC(=O)[O-])CC(=O)O",
        "std_free_energy": -6.03101921081543,
        "relative_population": 0.9902897297007983
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CCCC[NH+](CC(=O)[O-])CC(=O)[O-]",
        "std_free_energy": -14.5118408203125,
        "relative_population": 0.9987883075444602
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.58999991416931,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]