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Heavy REAL Enumerated, release 2026-09

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Zenodo2026-10-22 更新2026-11-05 收录
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Heavy REAL is a set of 11,474,678,084 enumerated structures selected from the full chemical space of Enamine REAL Compounds. Most of them have a molecular weight between 500 and 750 g/mol. This record holds the files that describe and identify the release: License.txt, Notice.txt, README.txt, SIZES.tsv and SHA256SUMS. The compound file itself (Heavy_REAL_11.5B.cxsmiles.bz2, 233,700,199,436 bytes compressed, 2,182,928,285,893 bytes uncompressed) is distributed by Enamine. Its SHA-256 is listed in SHA256SUMS, and Notice.txt gives the SHA-256 of SHA256SUMS, so this record fixes the exact version of every file in the release. To check a download, run in the folder that holds the files: sha256sum -c SHA256SUMS (macOS: shasum -a 256 -c SHA256SUMS).

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Zenodo
创建时间:
2026-10-22
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