Selected Download Files from the PFAS Tree

This is an archive of download files from certain sections of the PFAS and Fluorinated Compounds in PubChem. Details about the "PFAS Tree" are available in the documentation and described in Schymanski et al. (2023) DOI: 10.1021/acs.est.3c04855. Please cite the article if you use these resources. The files provided are: All (merged) entries in the CompTox Lists - 17,499 entries All (merged) entries in the NORMAN-SLE Lists - 6,940 entries All entries in the NIST PFAS List - 4,964 entries All (merged) entries in the Regulatory Collections - 27,112 entries All (merged) entries in the "Other diverse fluorinated compounds" node - 175,579 entries All (merged) entries in the "Molecule contains PFAS parts larger than CF2/CF3" node - 240,713 entries(this is the subset of the OECD PFAS Definition set that contains parts larger than CF2/CF3) All (merged) entries in the "OECD PFAS Definition" node - 7,192,426 entries(this is all neutral PFAS species in PubChem meeting the OECD PFAS definition as of 5 Sept. 2025) All (merged) entries in the "PFAS Breakdowns by Chemistry" node - 8,278,661 entries(this includes all the compounds in the OECD PFAS definitions section plus salts, mixtures and other species that also fit the definition). A text file containing the CIDs from the Organofluorine compounds collection, retrieved via PUG REST (code here, or direct URL) - 22,033,987 entries. A tab separated mapping file explaining the column headers, including the old (pre April 2025) and new column headers.本归档包含PubChem中全氟和多氟烷基物质（PFAS, Per- and Polyfluoroalkyl Substances）与含氟化合物板块的下载文件。关于“PFAS分类树”的详细信息可查阅配套文档，相关描述见于Schymanski等（2023年）发表于DOI: 10.1021/acs.est.3c04855的研究。若您使用本资源，请引用该文献。 本次提供的文件如下： 1. CompTox清单的所有合并条目——17499条 2. NORMAN-SLE清单的所有合并条目——6940条 3. NIST PFAS清单的所有条目——4964条 4. 监管合集的所有合并条目——27112条 5. “其他多样化含氟化合物”节点的所有合并条目——175579条 6. “分子含有大于CF2/CF3的PFAS结构片段”节点的所有合并条目——240713条（该子集属于符合大于CF2/CF3片段要求的经合组织（OECD）PFAS定义集合） 7. “经合组织（OECD）PFAS定义”节点的所有合并条目——7192426条（截至2025年9月5日，PubChem中所有符合经合组织PFAS定义的中性PFAS物种） 8. “按化学分类的PFAS拆解”节点的所有合并条目——8278661条（该集合包含经合组织PFAS定义章节中的所有化合物，以及符合该定义的盐类、混合物与其他物种） 9. 一份包含有机氟化合物集合中化合物识别号（CID）的文本文件，通过PUG REST接口检索获取（代码链接及直接URL详见此处）——共22033987条条目 10. 一份制表符分隔的映射文件，用于说明各列标题，包含2025年4月之前的旧版与新版列标题。