[
  {
    "molid": "mol37115",
    "smiles": "O=C(NO)c1ccccc1/N=C/c1ccccn1",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "O=C(NO)c1ccccc1/N=C/c1ccccn1",
        "std_free_energy": -6.932747840881348,
        "relative_population": 0.996543343966763
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "O=C(NO)c1ccccc1/[NH+]=C/c1ccccn1",
        "std_free_energy": -0.3989584743976593,
        "relative_population": 0.5806716880286575
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "O=C(NO)c1ccccc1/N=C/c1cccc[nH+]1",
        "std_free_energy": -0.009925134479999542,
        "relative_population": 0.3935279821946439
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.20000004768372,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]