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Initial commit: NMRShiftDB2 with SMILES and filtered valid molecules

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  1. data/nmrshiftdb2.parquet +3 -0
data/nmrshiftdb2.parquet ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:0f106e40db0e7c04f58a1b72a694d29ef280eee33b2d9340eb78a6b597b13456
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+ size 9738486