[
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    "molid": "mol34390",
    "smiles": "COc1ccc(NC(=O)C(=NO)C(C)=NO)cc1",
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    "macro_pka_values": [
      {
        "pka_value": 10.0900001525879,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "QSARToolbox"
      }
    ]
  }
]