[
  {
    "molid": "mol36726",
    "smiles": "O=C(O)c1ccccc1N=C1CCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])c1ccccc1[NH+]=C1CCCN1",
        "std_free_energy": -10.471880912780762,
        "relative_population": 0.9994962397632486
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])c1ccccc1N=C1CCCN1",
        "std_free_energy": -3.862171173095703,
        "relative_population": 0.9999943262558885
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.28999996185303,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]