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    "macro_pka_values": [
      {
        "pka_value": 5.81,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 3.51,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "AttenGpKa training set"
      },
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        "pka_value": 4.44,
        "charge_state_pre": -3,
        "charge_state_post": -4,
        "data_source": "AttenGpKa training set"
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        "pka_value": 2.38,
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        "charge_state_post": -2,
        "data_source": "OCHEM"
      }
    ]
  }
]