[
  {
    "molid": "mol3900",
    "smiles": "c1c[nH]cn1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "c1c[nH]cn1",
        "std_free_energy": -5.245366096496582,
        "relative_population": 1.0
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      {
        "id": "1_1",
        "charge": 1,
        "smiles": "c1c[nH+]c[nH]1",
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        "relative_population": 1.0
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "c1c[n-]cn1",
        "std_free_energy": 13.398702621459961,
        "relative_population": 1.0
      }
    ],
    "macro_pka_values": [
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.44,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.17,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.89,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.43,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.02,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 14.47,
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        "data_source": "Datawarrior"
      },
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        "data_source": "OCHEM"
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        "data_source": "QSARToolbox"
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        "data_source": "QSARToolbox"
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 14.345,
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        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 6.953,
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        "charge_state_post": 0,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.2,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.6,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.1,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.12,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.63,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.09,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 6.92,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.5,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 7.11,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 7.31,
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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        "data_source": "IUPAC digitized pKa"
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      {
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        "data_source": "Datawarrior"
      },
      {
        "pka_value": 6.95,
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        "data_source": "Organic Oxygen Acids and Nitrogen Bases"
      },
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        "data_source": "Baltruschat ChEMBL"
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      {
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        "data_source": "AttenGpKa training set"
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    ]
  }
]