[
  {
    "molid": "mol37862",
    "smiles": "C[n+]1ccccc1NO",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1ccccc1N[O-]",
        "std_free_energy": 0.6853712797164917,
        "relative_population": 0.4091120191234106
      },
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "C[n+]1ccccc1[N-]O",
        "std_free_energy": 0.3227783143520355,
        "relative_population": 0.5879147587601854
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1ccccc1NO",
        "std_free_energy": -6.54974365234375,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.03999996185303,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]