[
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    "molid": "mol8307",
    "smiles": "Cc1nc(O)nc2nc[nH]c12",
    "microspecies": [
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.9,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 8.87,
        "charge_state_pre": 0,
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        "pka_value": 2.24,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 2.29,
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        "data_source": "AttenGpKa training set"
      },
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        "pka_value": 12.46,
        "charge_state_pre": -1,
        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
  }
]