[
  {
    "molid": "mol38382",
    "smiles": "CC(=O)Oc1ccc(OCCN(C)C)cc1C",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC(=O)Oc1ccc(OCCN(C)C)cc1C",
        "std_free_energy": -3.202146530151367,
        "relative_population": 1.0
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "CC(=O)Oc1ccc(OCC[NH+](C)C)cc1C",
        "std_free_energy": -8.099867820739746,
        "relative_population": 0.9988985790767758
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]