[
  {
    "molid": "mol4086",
    "smiles": "Nc1ccnc(O)n1",
    "microspecies": [
      {
        "id": "0_1",
        "charge": 0,
        "smiles": "Nc1ccnc(O)n1",
        "std_free_energy": -8.427862167358398,
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        "smiles": "[NH3+]c1ccnc(O)n1",
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        "id": "1_2",
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        "id": "1_3",
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        "id": "2_3",
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    ],
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.3,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 11.97,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.15,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.62,
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        "data_source": "IUPAC digitized pKa"
      },
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 12.25,
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        "data_source": "Datawarrior"
      },
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        "data_source": "QSARToolbox"
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      },
      {
        "pka_value": 12.2,
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        "data_source": "AttenGpKa training set"
      },
      {
        "pka_value": 4.6,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 4.57,
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        "pka_value": 4.68,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 4.67,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 4.64,
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        "data_source": "IUPAC digitized pKa"
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      {
        "pka_value": 4.54,
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      {
        "pka_value": 4.45,
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        "pka_value": 4.82,
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        "data_source": "IUPAC digitized pKa"
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        "pka_value": 4.72,
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        "data_source": "IUPAC digitized pKa"
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      {
        "pka_value": 4.62,
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        "data_source": "IUPAC digitized pKa"
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      {
        "pka_value": 4.58,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.79,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.42,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 4.61,
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        "pka_value": 4.69000005722046,
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        "pka_value": 4.59999990463257,
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      {
        "pka_value": 4.5,
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      {
        "pka_value": -6.4,
        "charge_state_pre": 2,
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        "data_source": "AttenGpKa training set"
      }
    ]
  }
]