[
  {
    "molid": "mol34438",
    "smiles": "Cc1cccnc1N=Cc1ccccc1O",
    "microspecies": [
      {
        "id": "0_3",
        "charge": 0,
        "smiles": "Cc1cccnc1N=Cc1ccccc1O",
        "std_free_energy": -6.531711101531982,
        "relative_population": 0.9891685645898856
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "Cc1cccnc1[NH+]=Cc1ccccc1O",
        "std_free_energy": -1.7092859745025635,
        "relative_population": 0.3381659162487707
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Cc1ccc[nH+]c1N=Cc1ccccc1O",
        "std_free_energy": -2.3807458877563477,
        "relative_population": 0.6618219517965425
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 7.38000011444092,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 7.37900018692017,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "QSARToolbox"
      }
    ]
  }
]