[
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    "molid": "mol11991",
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    "microspecies": [
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        "id": "-2_1",
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        "smiles": "O=C([O-])C[NH+](CCCCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "smiles": "O=C([O-])CN(CCCCCC[NH+](CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]",
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        "id": "-1_3",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 2.7,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.45,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.35,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 2.41,
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        "data_source": "IUPAC digitized pKa"
      },
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        "pka_value": 2.91,
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        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.79999995231628,
        "charge_state_pre": 0,
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        "data_source": "QSARToolbox"
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        "pka_value": 2.0,
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        "data_source": "QSARToolbox"
      },
      {
        "pka_value": 9.79,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.81,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.69,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.56,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.75,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.65,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 9.65,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 10.72,
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        "charge_state_post": -3,
        "data_source": "IUPAC digitized pKa"
      },
      {
        "pka_value": 2.2,
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        "charge_state_post": -2,
        "data_source": "IUPAC digitized pKa"
      }
    ]
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]