[
  {
    "molid": "mol36426",
    "smiles": "CN(CC(=O)O)Cc1cccc(CN(C)CC(=O)O)n1",
    "microspecies": [
      {
        "id": "0_4",
        "charge": 0,
        "smiles": "C[NH+](CC(=O)[O-])Cc1cccc(C[NH+](C)CC(=O)[O-])n1",
        "std_free_energy": -15.666900634765625,
        "relative_population": 0.9915624795234497
      },
      {
        "id": "-1_3",
        "charge": -1,
        "smiles": "CN(CC(=O)[O-])Cc1cccc(C[NH+](C)CC(=O)[O-])n1",
        "std_free_energy": -13.713229179382324,
        "relative_population": 0.990431975614824
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.14999961853027,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]