summaryrefslogtreecommitdiff
path: root/test/data/batch_prediction_inchi_small.csv
blob: e181bd147fe803b2ee73ecc725fb912bededdc3f (plain)
1
2
3
4
INCHI
"InChI=1/C11H9N3/c12-10-6-5-8-7-3-1-2-4-9(7)13-11(8)14-10/h1-6H,(H3,12,13,14)/f/h13H,12H2"
"InChI=1/C8H8O4/c1-4-3-6(10)7(5(2)9)8(11)12-4/h3,7H,1-2H3"
"InChI=1/C2H4O/c1-2-3/h2H,1H3"