[
  {
    "molid": "mol34947",
    "smiles": "CC1=NC(Cc2ccccc2)C(=O)O1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "CC1=N[C@H](Cc2ccccc2)C(=O)O1",
        "std_free_energy": -6.4401936531066895,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 10.3400001525879,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]