formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C6H13NO3S | train | 31 |
C6H13NO4 | train | 28 |
C6H13NO5 | train | 88 |
C6H13NO6 | train | 5 |
C6H13O9P | train | 18 |
C6H14N2O3 | train | 14 |
C6H14NO2S+ | train | 8 |
C6H14O6 | train | 50 |
C6H14O6S2 | train | 5 |
C6H14O8S2 | train | 20 |
C6H15N5 | train | 5 |
C6H15NO6S | train | 10 |
C6H3Br2ClO | train | 6 |
C6H3Cl2NO2 | train | 4 |
C6H3F3N2O2 | train | 13 |
C6H3F3O3 | train | 8 |
C6H4Br2O3 | train | 5 |
C6H4ClF3N2O | train | 7 |
C6H4ClF3N2O2 | train | 16 |
C6H4F3NO2S | train | 13 |
C6H4F3NO3 | train | 13 |
C6H4FNO3 | train | 26 |
C6H4N2O2 | train | 4 |
C6H4N2O2S | train | 26 |
C6H4O5 | train | 5 |
C6H5BrN4 | train | 5 |
C6H5BrO2S | train | 10 |
C6H5BrO3 | train | 5 |
C6H5ClN2O2 | train | 16 |
C6H5F2NO2S | train | 10 |
C6H5F2NO3 | train | 13 |
C6H5F3N2O2 | train | 50 |
C6H5F3N2O3 | train | 13 |
C6H5N3O2S | train | 11 |
C6H5NO2 | train | 23 |
C6H5NO3 | train | 30 |
C6H6Cl2N2O4S2 | train | 18 |
C6H6ClFN2O | train | 14 |
C6H6ClNO3 | train | 2 |
C6H6F2N2O2 | train | 54 |
C6H6F2N2O3 | train | 5 |
C6H6F3N3O2 | train | 5 |
C6H6N2O2 | train | 25 |
C6H6N2O2S | train | 4 |
C6H6N2O3 | train | 84 |
C6H6N2S | train | 5 |
C6H6N4O2 | train | 23 |
C6H6N4O3 | train | 5 |
C6H6N4O4 | train | 9 |
C6H6N6O2 | train | 5 |
C6H6O3 | train | 5 |
C6H6O3S | train | 5 |
C6H6O4 | train | 4 |
C6H6O5S | train | 26 |
C6H6O6 | train | 13 |
C6H6O7 | train | 5 |
C6H7ClN2 | train | 5 |
C6H7ClN2O2 | train | 67 |
C6H7F3O3 | train | 8 |
C6H7N3O | train | 18 |
C6H7N3O2 | train | 47 |
C6H7N5 | train | 11 |
C6H7NO2 | train | 10 |
C6H7NO2S | train | 63 |
C6H7NO3S | train | 46 |
C6H7NO4S | train | 5 |
C6H8ClN7O | train | 44 |
C6H8N2O2 | train | 261 |
C6H8N2O2S | train | 104 |
C6H8N2O3 | train | 82 |
C6H8N4O2 | train | 17 |
C6H8N4O4 | train | 10 |
C6H8O4 | train | 5 |
C6H8O4S | train | 5 |
C6H8O5 | train | 5 |
C6H8O6 | train | 15 |
C6H8O7 | train | 95 |
C6H9F2NO2 | train | 11 |
C6H9N3O2 | train | 72 |
C6H9N3O3 | train | 35 |
C6H9NO2 | train | 18 |
C6H9NO3S | train | 5 |
C6H9NO5 | train | 5 |
C6H9O9P | train | 13 |
C6HBr4N3 | train | 3 |
C6HF6NO3 | train | 8 |
C70H110O36 | train | 9 |
C70H110O37 | train | 4 |
C70H92ClN17O14 | train | 4 |
C71H112O37 | train | 4 |
C75H112O35 | train | 3 |
C77H120O41 | train | 7 |
C78H124O35 | train | 3 |
C7H10ClN3O3 | train | 42 |
C7H10F3NO2 | train | 18 |
C7H10N2O4S2 | train | 10 |
C7H10N2OS | train | 4 |
C7H10O4 | train | 5 |
C7H10O5 | train | 5 |
C7H10O7 | train | 13 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.