[
  {
    "molid": "mol5367",
    "smiles": "O=C(O)CN=C1CCCC1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "O=C([O-])C[NH+]=C1CCCC1",
        "std_free_energy": -12.233083724975586,
        "relative_population": 0.999918765876358
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "O=C([O-])CN=C1CCCC1",
        "std_free_energy": -7.343057155609131,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.72,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.7200003,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "OCHEM"
      }
    ]
  }
]