[
  {
    "molid": "mol35745",
    "smiles": "O=C1C=CC(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C1C=CC(=O)N1CCN1CCN(c2cccc3c2OCCO3)CC1",
        "std_free_energy": -5.7653703689575195,
        "relative_population": 1.0
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "O=C1C=CC(=O)N1CC[NH+]1CCN(c2cccc3c2OCCO3)CC1",
        "std_free_energy": -7.053739547729492,
        "relative_population": 0.9532889896983218
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 5.90000009536743,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]