[
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    "molid": "mol24475",
    "smiles": "NCCN(CCN)CCN",
    "microspecies": [
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        "id": "0_1",
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        "id": "3_2",
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        "relative_population": 1.0
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    ],
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        "pka_value": 9.6,
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        "pka_value": 10.14,
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        "data_source": "AttenGpKa training set"
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        "pka_value": 9.26000022888184,
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        "pka_value": 9.42,
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        "data_source": "AttenGpKa training set"
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        "pka_value": 8.41,
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        "data_source": "AttenGpKa training set"
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        "data_source": "QSARToolbox"
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    ]
  }
]