formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C15H12ClNO2 | train | 5 |
C15H12ClNO2S2 | train | 13 |
C15H12ClNO4S | train | 10 |
C15H12F2N2O3 | train | 16 |
C15H12F2N2O3S | train | 5 |
C15H12F2N4O2 | train | 8 |
C15H12F2N4O3S | train | 13 |
C15H12F2N4S | train | 29 |
C15H12F2N6O3S | train | 13 |
C15H12F3N3O3 | train | 5 |
C15H12F3N3O5 | train | 21 |
C15H12F3N5 | train | 38 |
C15H12F3N5O | train | 8 |
C15H12F4N2O2 | train | 23 |
C15H12FN3O | train | 38 |
C15H12FN3O2 | train | 13 |
C15H12FN3O2S | train | 13 |
C15H12FN3O3 | train | 21 |
C15H12FN3OS | train | 47 |
C15H12FN3OS2 | train | 32 |
C15H12FN5O2 | train | 29 |
C15H12FNOS | train | 8 |
C15H12FNOS2 | train | 21 |
C15H12N2O | train | 39 |
C15H12N2O2 | train | 60 |
C15H12N2O3 | train | 50 |
C15H12N2O3S | train | 59 |
C15H12N2O3S2 | train | 28 |
C15H12N2O4S | train | 62 |
C15H12N2O4S2 | train | 8 |
C15H12N2O5 | train | 10 |
C15H12N2O5S | train | 10 |
C15H12N2O6S | train | 5 |
C15H12N2OS2 | train | 47 |
C15H12N2S | train | 8 |
C15H12N4 | train | 5 |
C15H12N4O | train | 13 |
C15H12N4O2 | train | 13 |
C15H12N4O2S | train | 18 |
C15H12N4O2S2 | train | 10 |
C15H12N4O3 | train | 28 |
C15H12N4O3S | train | 29 |
C15H12N4OS2 | train | 13 |
C15H12N4S2 | train | 20 |
C15H12N6O2 | train | 5 |
C15H12N6O2S | train | 23 |
C15H12N6S | train | 34 |
C15H12O2 | train | 51 |
C15H12O3 | train | 26 |
C15H12O4 | train | 98 |
C15H12O5 | train | 102 |
C15H12O6 | train | 66 |
C15H12O8 | train | 14 |
C15H13BrClN5 | train | 8 |
C15H13BrF3N3O2 | train | 10 |
C15H13BrFNO | train | 13 |
C15H13BrN2O | train | 48 |
C15H13BrN2O2 | train | 18 |
C15H13BrN2O3 | train | 20 |
C15H13BrN4O | train | 45 |
C15H13Cl2N3O2 | train | 52 |
C15H13Cl2N3O2S | train | 16 |
C15H13Cl2N3O4 | train | 6 |
C15H13Cl2N5 | train | 13 |
C15H13Cl2NO2 | train | 8 |
C15H13Cl2NO3 | train | 15 |
C15H13Cl2NOS | train | 5 |
C15H13ClF2N4 | train | 13 |
C15H13ClFN3O | train | 18 |
C15H13ClFN3O3 | train | 30 |
C15H13ClFNO2 | train | 5 |
C15H13ClFNO2S | train | 5 |
C15H13ClN2 | train | 8 |
C15H13ClN2O2S | train | 35 |
C15H13ClN2O2S2 | train | 13 |
C15H13ClN2O2S3 | train | 13 |
C15H13ClN2O5 | train | 13 |
C15H13ClN2OS | train | 5 |
C15H13ClN2OS2 | train | 16 |
C15H13ClN4O2S | train | 10 |
C15H13ClN4O2S2 | train | 8 |
C15H13ClN4O3 | train | 13 |
C15H13ClN4OS | train | 107 |
C15H13ClO4S | train | 10 |
C15H13F2N3O2 | train | 8 |
C15H13F2N3O2S | train | 20 |
C15H13F2N3S | train | 5 |
C15H13F2N5 | train | 16 |
C15H13F2N5O | train | 63 |
C15H13F2N5O2 | train | 20 |
C15H13F2N5S | train | 8 |
C15H13F2NO3 | train | 10 |
C15H13F2NO4 | train | 22 |
C15H13F3N2O2 | train | 49 |
C15H13F3N2O2S | train | 5 |
C15H13F3N2O3 | train | 13 |
C15H13F3N2O4S | train | 13 |
C15H13F3N2OS | train | 41 |
C15H13F3N2S | train | 25 |
C15H13F3N4 | train | 6 |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.