formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C10H11ClN4O3 | test | 10 |
C10H11IN2S | test | 13 |
C10H11N5O3S2 | test | 5 |
C10H12BrN5O5 | test | 10 |
C10H12Cl2N2O4S | test | 8 |
C10H12N4 | test | 8 |
C10H12N4O4S | test | 10 |
C10H12O3 | test | 22 |
C10H12O3S | test | 5 |
C10H13BrN2O3S | test | 5 |
C10H13FN2O5 | test | 45 |
C10H13N3O4S | test | 5 |
C10H14F2N4O3S2 | test | 16 |
C10H14N2O2 | test | 179 |
C10H14N4O2 | test | 23 |
C10H14N6O4 | test | 5 |
C10H14N6OS | test | 10 |
C10H14O4 | test | 5 |
C10H15N3O4S | test | 21 |
C10H15N3S | test | 8 |
C10H15N5O2S2 | test | 21 |
C10H16N2O2 | test | 84 |
C10H16N2O3S | test | 39 |
C10H18N2O | test | 5 |
C10H6ClF2N3O2 | test | 13 |
C10H6N2O3S2 | test | 4 |
C10H7ClO3 | test | 6 |
C10H7F2NO3 | test | 16 |
C10H7FO3 | test | 10 |
C10H8BrClN4O | test | 5 |
C10H8BrNO | test | 5 |
C10H8BrNO2 | test | 16 |
C10H8BrNO3 | test | 5 |
C10H8F3NO3 | test | 34 |
C10H9F2N3O2 | test | 13 |
C10H9FN2O2 | test | 24 |
C11H10BrN3OS | test | 23 |
C11H10BrNO3 | test | 13 |
C11H10ClN5O2S | test | 16 |
C11H10F3NO3 | test | 8 |
C11H10FN3O2 | test | 14 |
C11H10N2O2 | test | 502 |
C11H10N6S4 | test | 5 |
C11H10O4 | test | 53 |
C11H11BrN2O2 | test | 5 |
C11H11BrN2O2S2 | test | 13 |
C11H11BrN4OS | test | 64 |
C11H11Cl2N3O2 | test | 5 |
C11H11ClO3 | test | 8 |
C11H11N3O2S | test | 29 |
C11H12Cl2N2O3S | test | 26 |
C11H12ClFN2O3S | test | 8 |
C11H12ClN3O2S | test | 13 |
C11H12F3N3O2 | test | 5 |
C11H12F3N3O3S | test | 26 |
C11H12O2 | test | 5 |
C11H12O3 | test | 30 |
C11H12O4S | test | 8 |
C11H13BrN2O3 | test | 23 |
C11H13BrN2O3S | test | 31 |
C11H13BrN2O5 | test | 28 |
C11H13F3N4O2 | test | 36 |
C11H13N3O4 | test | 27 |
C11H13N3O5 | test | 41 |
C11H13N5OS3 | test | 10 |
C11H14BrN5 | test | 8 |
C11H14BrN5O | test | 26 |
C11H14FNO2 | test | 8 |
C11H14N2O | test | 26 |
C11H14N2S | test | 16 |
C11H14N6OS2 | test | 13 |
C11H14O2 | test | 13 |
C11H14O4 | test | 8 |
C11H14O5 | test | 10 |
C11H15NO | test | 13 |
C11H15NO5 | test | 3 |
C11H16O5 | test | 32 |
C11H17N3O4 | test | 7 |
C11H18ClN5O2S | test | 13 |
C11H18N4O2S | test | 20 |
C11H18N4O4S | test | 5 |
C11H19NO6 | test | 23 |
C11H20N4O3S | test | 8 |
C11H20N4O4S2 | test | 8 |
C11H22N2O2 | test | 15 |
C11H23N3O2 | test | 8 |
C11H6ClF2N3O | test | 11 |
C11H6F3NO2 | test | 30 |
C11H6N2O | test | 5 |
C11H6O4 | test | 5 |
C11H7F3N2O2 | test | 21 |
C11H8F4O2 | test | 8 |
C11H8IN3O2 | test | 24 |
C11H8N2O5S | test | 13 |
C11H8O3S | test | 10 |
C11H8O5S | test | 14 |
C11H9BrN4OS | test | 10 |
C11H9F2N3O2 | test | 20 |
C11H9FN2O2 | test | 128 |
C11H9NO2S2 | test | 5 |
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