| dataset,source,records,unique_canonical_smiles,records_with_h,records_with_c,records_with_h_and_c | |
| test_benchmark,ALL,87897,87631,78554,77134,67791 | |
| test_benchmark,NMRPeak-MST-NMR,3717,3717,3717,3717,3717 | |
| test_benchmark,NMRPeak-NMRexp,74209,74209,64866,63446,54103 | |
| test_benchmark,NMRTrans-NMRSpec,9971,9971,9971,9971,9971 | |