[
  {
    "molid": "mol37870",
    "smiles": "Cc1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1",
    "microspecies": [
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc[n+](CCC[n+]2cccc(C=N[O-])c2)c1",
        "std_free_energy": -3.3263118267059326,
        "relative_population": 0.9972232107244988
      },
      {
        "id": "2_1",
        "charge": 2,
        "smiles": "Cc1ccc[n+](CCC[n+]2cccc(C=NO)c2)c1",
        "std_free_energy": -5.809123516082764,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.43000030517578,
        "charge_state_pre": 2,
        "charge_state_post": 1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]