inst/testdata/example_db.csv

+"Identifier","FirstBlock","PubMed_Count","Patent_Count","Related_CIDs","Synonym","MolecularFormula","SMILES","InChI","InChIKey","MonoisotopicMass","CompoundName","AnnoTypeCount","AgroChemInfo","BioPathway","DrugMedicInfo","FoodRelated","PharmacoInfo","SafetyInfo","ToxicityInfo","KnownUse","DisorderDisease","Identification"
+"3","INCSWYKICIYAHB","11","280","9964159 23615184 45266758","(2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoic acid","C7H8O4","C1=CC(C(C(=C1)C(=O)O)O)O","InChI=1S/C7H8O4/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,5-6,8-9H,(H,10,11)","INCSWYKICIYAHB-UHFFFAOYSA-N","156.042259","5,6-dihydroxycyclohexa-1,3-diene-1-carboxylic acid","2","0","2","0","0","2","0","0","0","0","0"
+"4","HXKKHQJGJAFBHI","71","103352","4 111033 439938 446260 4631415 7311736 44150279","1-Aminopropan-2-ol","C3H9NO","CC(CN)O","InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3","HXKKHQJGJAFBHI-UHFFFAOYSA-N","75.068414","1-aminopropan-2-ol","7","0","3","0","8","2","10","3","5","0","3"
+"5","HIQNVODXENYOFK","3","13","5 25244426","3-Amino-2-oxopropyl phosphate","C3H8NO5P","C(C(=O)COP(=O)(O)O)N","InChI=1S/C3H8NO5P/c4-1-3(5)2-9-10(6,7)8/h1-2,4H2,(H2,6,7,8)","HIQNVODXENYOFK-UHFFFAOYSA-N","169.014009","(3-amino-2-oxopropyl) dihydrogen phosphate","2","0","2","0","0","2","0","0","0","0","0"
+"6","VYZAHLCBVHPDDF","3142","20129","6","1-chloro-2,4-dinitrobenzene","C6H3ClN2O4","C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl","InChI=1S/C6H3ClN2O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H","VYZAHLCBVHPDDF-UHFFFAOYSA-N","201.978134","1-chloro-2,4-dinitrobenzene","9","0","5","3","2","7","11","3","7","1","2"