[
  {
    "molid": "mol32811",
    "smiles": "CNc1ccc[n+]([O-])c1",
    "microspecies": [
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "CNc1ccc[n+](O)c1",
        "std_free_energy": -0.46543368697166443,
        "relative_population": 0.9999590294439383
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "C[NH2+]c1ccc[n+](O)c1",
        "std_free_energy": 21.07038116455078,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": -2.4200001,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "OCHEM"
      }
    ]
  }
]