[
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    "molid": "mol12427",
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    "microspecies": [
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        "smiles": "C[C@@H](N)c1nnn[nH]1",
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        "smiles": "C[C@@H](N)c1nn[nH+][nH]1",
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        "smiles": "C[C@@H](N)c1[nH]nn[nH+]1",
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        "id": "1_3",
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        "smiles": "C[C@@H]([NH3+])c1nnn[nH]1",
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    ],
    "macro_pka_values": [
      {
        "pka_value": 8.77,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "Datawarrior"
      },
      {
        "pka_value": 2.63,
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      },
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        "pka_value": 2.6300001,
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        "data_source": "OCHEM"
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        "pka_value": 2.63000011444092,
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        "charge_state_post": 0,
        "data_source": "QSARToolbox"
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    ]
  }
]