[
  {
    "molid": "mol33199",
    "smiles": "Nc1cccc2c1C(=O)c1ccccc1C2=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1cccc2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": -6.567666530609131,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "[NH3+]c1cccc2c1C(=O)c1ccccc1C2=O",
        "std_free_energy": 3.8811087608337402,
        "relative_population": 0.8598823601561836
      },
      {
        "id": "1_2",
        "charge": 1,
        "smiles": "Nc1cccc2c1C(=[OH+])c1ccccc1C2=O",
        "std_free_energy": 6.27017879486084,
        "relative_population": 0.07886405562947783
      },
      {
        "id": "1_3",
        "charge": 1,
        "smiles": "Nc1cccc2c1C(=O)c1ccccc1C2=[OH+]",
        "std_free_energy": 6.522881984710693,
        "relative_population": 0.06125358421433868
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 0.44,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "OCHEM"
      }
    ]
  }
]