[
  {
    "molid": "mol14507",
    "smiles": "C[n+]1c2ccccc2nc2ccc(O)cc21",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[n+]1c2ccccc2nc2ccc([O-])cc21",
        "std_free_energy": -5.847527503967285,
        "relative_population": 1.0
      },
      {
        "id": "1_1",
        "charge": 1,
        "smiles": "C[n+]1c2ccccc2nc2ccc(O)cc21",
        "std_free_energy": 2.596980333328247,
        "relative_population": 0.9991689825316034
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 3.0,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "Datawarrior"
      }
    ]
  }
]