{"accessLevel": "public", "bureauCode": ["020:00"], "contactPoint": {"fn": "Caroline Stevens", "hasEmail": "mailto:stevens.caroline@epa.gov"}, "description": "The dataset file contains a list of parent compound names and standardized SMILES strings for both the parent compounds and reported transformation products.  The data in the DB-J-ENV tab was compiled from journal publications, and the data in the DB-EFSA-ENV tab was compiled from European Food Safety Authority (EFSA) reports. \n\nThis dataset is associated with the following publication:\nYuan, C., C. Stevens, and E. Weber. Reaction Library to Predict Direct Photochemical Transformation Products of Environmental Organic Contaminants in Sunlit Aquatic Systems.   ENVIRONMENTAL SCIENCE & TECHNOLOGY. American Chemical Society, Washington, DC, USA, 54(12): 7271\u20137279, (2020).", "distribution": [{"downloadURL": "https://pasteur.epa.gov/uploads/10.23719/1517594/Product_Structure_Datafile.xlsx", "mediaType": "application/vnd.openxmlformats-officedocument.spreadsheetml.sheet", "title": "Product_Structure_Datafile.xlsx"}], "identifier": "https://doi.org/10.23719/1517594", "keyword": ["cheminformatics", "environmental transformations", "photochemical", "photolysis", "phototransformations", "predictive models", "reaction library"], "license": "https://pasteur.epa.gov/license/sciencehub-license.html", "modified": "2020-01-09", "programCode": ["020:095"], "publisher": {"name": "U.S. EPA Office of Research and Development (ORD)", "subOrganizationOf": {"name": "U.S. Environmental Protection Agency", "subOrganizationOf": {"name": "U.S. Government"}}}, "references": ["https://doi.org/10.1021/acs.est.0c00484"], "rights": null, "title": "Reported photolysis products (DB-J-ENV and DB-EFSA-ENV)"}