S60 | SWISSPEST19 | Swiss Pesticides and Metabolites from Kiefer et al 2019
Authors/Creators
Description
Swiss pesticides (plant protection products) and metabolites from Kiefer et al 2019 (Eawag), Tables SI-B 1 and 2, DOI: 10.1016/j.watres.2019.114972. Dataset DOI: 10.5281/zenodo.3544759
Update 25 April 2020: fixed many naming issues in xlsx and csv file. No structural information changed. 25 Mar 2023: fixed date CAS. 25 May 2023: fixed non-live CIDs to live CIDs. 6 Jul 2023: added NOA 413161 structures and transformations file. 8 April 2025: fixed three CIDs that went non-live to match CIDs from NORMAN deposition. Mismatch of InChIKeys due to difference in treatment of the C=N-O groups between PubChem and Open Babel; files now match PubChem's output. 2 Jun 2025: updated TFA synonym. 31 Aug 2025: fixed triazole alanine structure for one entry (removing incorrect CID 139597001). 1 Apr 2026: updated non-live CIDs to live ones after PubChem changed handling.
Notes
Files
S60_SWISSPEST_Predecessors_Successors_wCIDs.csv
Files
(1.2 MB)
| Name | Size | Download all |
|---|---|---|
|
md5:eb684037cc0383efb9ca05ffc234b53f
|
271.1 kB | Preview Download |
|
md5:ef25f2bf7f1707b4a0084e3c47f15fc9
|
171.0 kB | Download |
|
md5:716edf0717bfb43ef67c3c50ceb6da25
|
13.5 kB | Preview Download |
|
md5:79a7cbc5e166dad89f2a5efec99e4628
|
43.0 kB | Preview Download |
|
md5:61eaa3aa110d3d5429f886d46da536e9
|
174.9 kB | Preview Download |
|
md5:cae15bc3d1bf53714c892af729833503
|
554.9 kB | Download |
Additional details
Related works
- Is supplement to
- Journal article: 10.1016/j.watres.2019.114972 (DOI)
- https://www.norman-network.com/nds/SLE/ (URL)