[
  {
    "molid": "mol10367",
    "smiles": "C[n+]1cccc(O)c1C=NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1cccc(O)c1C=N[O-]",
        "std_free_energy": -3.188563346862793,
        "relative_population": 0.08329847633999346
      },
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "C[n+]1cccc([O-])c1C=NO",
        "std_free_energy": -5.586915016174316,
        "relative_population": 0.9167015236600065
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "C[n+]1cccc(O)c1C=NO",
        "std_free_energy": -2.1623899936676025,
        "relative_population": 0.9999287751461226
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 4.8,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.80000019073486,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]