[
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    "macro_pka_values": [
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        "pka_value": 4.28,
        "charge_state_pre": 0,
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        "data_source": "Datawarrior"
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        "pka_value": 4.2800002,
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        "data_source": "OCHEM"
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        "pka_value": 0.280000001192093,
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        "data_source": "QSARToolbox"
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        "pka_value": 12.21,
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      }
    ]
  }
]