formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C10H10BrN5O2 | train | 23 |
C10H10BrN5OS | train | 13 |
C10H10BrNO3 | train | 5 |
C10H10Cl2N4O4 | train | 5 |
C10H10ClIN4 | train | 8 |
C10H10ClNO4S | train | 13 |
C10H10F3N3O2S | train | 31 |
C10H10F3NO2 | train | 36 |
C10H10F3NO3 | train | 8 |
C10H10F3NO3S | train | 23 |
C10H10F3NO5S | train | 5 |
C10H10FIN2O | train | 14 |
C10H10FNO2 | train | 57 |
C10H10FNO3 | train | 20 |
C10H10IN5O | train | 8 |
C10H10N2 | train | 5 |
C10H10N2O2 | train | 167 |
C10H10N2O2S | train | 82 |
C10H10N2O3 | train | 125 |
C10H10N2O4S | train | 10 |
C10H10N2O5S | train | 20 |
C10H10N2OS | train | 13 |
C10H10N4O2 | train | 18 |
C10H10N4O2S | train | 37 |
C10H10O2 | train | 5 |
C10H10O2S | train | 9 |
C10H10O3 | train | 121 |
C10H10O3S | train | 5 |
C10H10O4 | train | 101 |
C10H10O4S | train | 43 |
C10H10O5 | train | 28 |
C10H11BO4 | train | 5 |
C10H11BrF3N3 | train | 5 |
C10H11BrN2 | train | 5 |
C10H11BrN4 | train | 5 |
C10H11BrN4O2S | train | 10 |
C10H11BrN5O6P | train | 10 |
C10H11BrN5O7P | train | 5 |
C10H11BrN6S | train | 8 |
C10H11ClF2N4 | train | 8 |
C10H11ClFNO4S | train | 8 |
C10H11ClN2O2 | train | 13 |
C10H11ClN2O3 | train | 39 |
C10H11ClN4 | train | 5 |
C10H11ClN4O4 | train | 8 |
C10H11ClN4OS | train | 8 |
C10H11ClO3 | train | 25 |
C10H11F2NO4S2 | train | 5 |
C10H11F3N2O2 | train | 48 |
C10H11F3N2O3 | train | 13 |
C10H11F3N2O3S2 | train | 18 |
C10H11F3N2O5 | train | 61 |
C10H11F3N4O | train | 13 |
C10H11F3N4O2S2 | train | 21 |
C10H11FN2O3 | train | 10 |
C10H11FN2O5S | train | 5 |
C10H11FO3 | train | 8 |
C10H11N2+ | train | 5 |
C10H11N3O2 | train | 115 |
C10H11N3O3S | train | 16 |
C10H11N3O5S | train | 15 |
C10H11N3OS | train | 16 |
C10H11N3S2 | train | 5 |
C10H11N5O | train | 8 |
C10H11N5O2S | train | 10 |
C10H11N5O4 | train | 5 |
C10H11NO2 | train | 183 |
C10H11NO3 | train | 345 |
C10H11NO3S | train | 44 |
C10H11NO4 | train | 51 |
C10H11NO4S | train | 13 |
C10H11NO5 | train | 5 |
C10H11NO7S | train | 8 |
C10H12BrN3O | train | 5 |
C10H12BrN3O2S | train | 10 |
C10H12BrN5O2 | train | 13 |
C10H12BrN5OS | train | 10 |
C10H12BrNO2 | train | 5 |
C10H12Cl2N2O3S | train | 7 |
C10H12ClN3O3 | train | 5 |
C10H12ClN3O3S | train | 5 |
C10H12ClN5O3 | train | 28 |
C10H12ClN5O4 | train | 15 |
C10H12ClNO2 | train | 73 |
C10H12ClNO4S2 | train | 10 |
C10H12ClNO6S | train | 8 |
C10H12F2N4O2 | train | 16 |
C10H12F3N3O2 | train | 13 |
C10H12FN3O4 | train | 10 |
C10H12FN5O2S | train | 5 |
C10H12FN5O3 | train | 13 |
C10H12FN5O4 | train | 24 |
C10H12FNO2 | train | 13 |
C10H12FNO4S | train | 8 |
C10H12N2 | train | 24 |
C10H12N2O | train | 13 |
C10H12N2O2 | train | 53 |
C10H12N2O2S | train | 27 |
C10H12N2O3S2 | train | 16 |
C10H12N2O4 | train | 5 |
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