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    {
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        "4-(4-bromanyl-1~{H}-pyrazol-3-yl)pyridine",
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        "calculated_HBD": 1,
        "calculated_TPSA": 41.57,
        "calculated_formula": "C8H6BrN3",
        "calculated_logP": 2.2342,
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        "computed_inchikey": "LKKNQJJSEMQTHQ-UHFFFAOYSA-N",
        "descriptor_scope": "RDKit calculation for the source identity; not an experimental measurement",
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