formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C14H26N2O2S | train | 8 |
C14H26N2O3 | train | 24 |
C14H26N2O4 | train | 22 |
C14H26N2O4S | train | 18 |
C14H26N6O2S | train | 15 |
C14H26O10 | train | 10 |
C14H26O4 | train | 11 |
C14H27N3O2 | train | 23 |
C14H27N3O3 | train | 10 |
C14H27N3O4S | train | 10 |
C14H27N4O11P2+ | train | 18 |
C14H27NO3Si | train | 5 |
C14H27NO4S | train | 12 |
C14H28N2O3 | train | 8 |
C14H28O6 | train | 5 |
C14H28O7 | train | 5 |
C14H30N2O3 | train | 16 |
C14H30O4S | train | 5 |
C14H6N2O8 | train | 15 |
C14H6O8 | train | 5 |
C14H7Cl2F2N5O | train | 13 |
C14H7Cl2N5S | train | 5 |
C14H7ClF3N3O2 | train | 14 |
C14H7ClF4N2 | train | 8 |
C14H7F6N3O | train | 7 |
C14H8BrF2N3O | train | 11 |
C14H8BrN5O | train | 6 |
C14H8Cl2F3N5O | train | 13 |
C14H8Cl2N2 | train | 6 |
C14H8Cl2N2O2S | train | 28 |
C14H8ClN5OS | train | 10 |
C14H8F2N2O2S | train | 24 |
C14H8F2N2O4S | train | 8 |
C14H8F2N4O2 | train | 20 |
C14H8FN3S2 | train | 8 |
C14H8FNO3S | train | 8 |
C14H8I4O4 | train | 10 |
C14H8N2O | train | 17 |
C14H8N2O8S2 | train | 5 |
C14H8O3 | train | 12 |
C14H8O5 | train | 11 |
C14H8O6 | train | 5 |
C14H9BrFN3O3S | train | 8 |
C14H9BrN2O2 | train | 24 |
C14H9BrN2O2S | train | 14 |
C14H9BrN2O4 | train | 5 |
C14H9BrN2OS | train | 5 |
C14H9BrN6O | train | 10 |
C14H9BrO2S | train | 10 |
C14H9Cl2F3N2O2 | train | 10 |
C14H9Cl2FN2O3 | train | 16 |
C14H9Cl2N3OS | train | 8 |
C14H9Cl2N3S2 | train | 16 |
C14H9Cl2NO3 | train | 24 |
C14H9Cl3N2OS | train | 23 |
C14H9ClF3NO2 | train | 13 |
C14H9ClF4N2O2 | train | 23 |
C14H9ClFN3S | train | 26 |
C14H9ClN2O4S2 | train | 8 |
C14H9ClN2OS2 | train | 16 |
C14H9ClN4O2 | train | 10 |
C14H9ClN4OS | train | 29 |
C14H9ClN4S2 | train | 13 |
C14H9F2N5O | train | 13 |
C14H9F3N4OS | train | 21 |
C14H9F4N3 | train | 26 |
C14H9F4N5O4S | train | 5 |
C14H9FN2OS2 | train | 16 |
C14H9FN4OS | train | 8 |
C14H9FN4S2 | train | 12 |
C14H9I3O4 | train | 30 |
C14H9N3O | train | 5 |
C14H9N5OS2 | train | 18 |
C14H9N7OS | train | 10 |
C15H10BrClFN3O2 | train | 23 |
C15H10BrF2N3O2 | train | 16 |
C15H10BrN3 | train | 15 |
C15H10BrN3O | train | 10 |
C15H10BrN3O2 | train | 28 |
C15H10BrN3OS | train | 13 |
C15H10Cl2N2O2S | train | 16 |
C15H10Cl2N2OS | train | 12 |
C15H10Cl2N4O2 | train | 13 |
C15H10Cl2N4O6 | train | 29 |
C15H10Cl2N4S | train | 8 |
C15H10Cl2O3 | train | 4 |
C15H10ClF2N3O | train | 5 |
C15H10ClFN2O2 | train | 8 |
C15H10ClN3O2S | train | 10 |
C15H10ClN3O3S | train | 8 |
C15H10ClN3OS | train | 25 |
C15H10ClNO5 | train | 10 |
C15H10ClNOS2 | train | 8 |
C15H10F2N2O2S | train | 13 |
C15H10F2N4O | train | 10 |
C15H10F2N6O | train | 13 |
C15H10F3N3O3S | train | 8 |
C15H10F3N5O | train | 10 |
C15H10F3NO3S | train | 11 |
C15H10F4N2O3 | train | 18 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.