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    "macro_pka_values": [
      {
        "pka_value": 6.45,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "AttenGpKa training set"
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        "pka_value": 9.33,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
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]