[
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    "molid": "mol4871",
    "smiles": "Oc1ncc2[nH]c(O)nc2n1",
    "microspecies": [
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    ],
    "macro_pka_values": [
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        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 7.44999980926514,
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        "data_source": "QSARToolbox"
      },
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        "pka_value": 0.5,
        "charge_state_pre": 1,
        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.3,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.0,
        "charge_state_pre": -2,
        "charge_state_post": -3,
        "data_source": "AttenGpKa training set"
      }
    ]
  }
]