[
  {
    "molid": "mol36116",
    "smiles": "O=C(O)CCN=C1CCCN1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])CC[NH+]=C1CCCN1",
        "std_free_energy": -13.024589538574219,
        "relative_population": 0.9999990388309572
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CCN=C1CCCN1",
        "std_free_energy": -0.6803552508354187,
        "relative_population": 0.9997918901684253
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.94999980926514,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]