[
  {
    "molid": "mol34966",
    "smiles": "CC1N=C(c2ccccc2)OC1=O",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "C[C@@H]1N=C(c2ccccc2)OC1=O",
        "std_free_energy": -6.460345268249512,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9399995803833,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]