formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C16H15ClFN3O | test | 8 |
C16H15ClN2O3 | test | 10 |
C16H15ClN2O3S3 | test | 13 |
C16H15ClN4 | test | 5 |
C16H15ClN4O4S | test | 8 |
C16H15F3N4O2 | test | 26 |
C16H15FN4O | test | 33 |
C16H15N2O6P | test | 13 |
C16H15N3O3S | test | 196 |
C16H16BrClN2O3 | test | 5 |
C16H16BrN3O2 | test | 5 |
C16H16BrN3O2S | test | 23 |
C16H16Cl2N2O2 | test | 29 |
C16H16Cl2N6O | test | 5 |
C16H16ClF3N4O2 | test | 21 |
C16H16ClFN2O2 | test | 16 |
C16H16ClN5S | test | 5 |
C16H16ClNO3S | test | 72 |
C16H16F2N2O4S2 | test | 15 |
C16H16F2N4O | test | 18 |
C16H16F3N3O | test | 74 |
C16H16FN3O4 | test | 5 |
C16H16N2O2 | test | 55 |
C16H16N4S2 | test | 13 |
C16H16N6O2 | test | 92 |
C16H16N6OS | test | 61 |
C16H16O10 | test | 10 |
C16H17BrFN3O3S | test | 5 |
C16H17Cl2N3 | test | 8 |
C16H17Cl2NO2S2 | test | 5 |
C16H17ClN4 | test | 21 |
C16H17ClN4O3 | test | 85 |
C16H17F4N3O3S | test | 13 |
C16H17FN2O4 | test | 78 |
C16H17FN4O | test | 64 |
C16H17FN4O3 | test | 8 |
C16H17N3O | test | 23 |
C16H17N3O2S | test | 161 |
C16H17N5O2S | test | 34 |
C16H17N5S2 | test | 8 |
C16H18Cl2N2 | test | 10 |
C16H18F2N8O | test | 21 |
C16H18F3N5O2 | test | 16 |
C16H18F3NO2 | test | 5 |
C16H18FN3O3 | test | 144 |
C16H18N2O4 | test | 127 |
C16H18N2O4S2 | test | 34 |
C16H18N2O5 | test | 70 |
C16H18N4OS | test | 243 |
C16H18N6O | test | 179 |
C16H18N6OS | test | 98 |
C16H18N8O2 | test | 20 |
C16H18O7 | test | 39 |
C16H19BrN2O3 | test | 5 |
C16H19BrN4O2S | test | 21 |
C16H19ClFN5O | test | 18 |
C16H19ClN2O3 | test | 40 |
C16H19ClN2OS | test | 8 |
C16H19ClN4S | test | 8 |
C16H19F2N3O3 | test | 14 |
C16H19F2N3O3S | test | 16 |
C16H19F2N5O | test | 16 |
C16H19F3N4OS | test | 8 |
C16H19F3N6O | test | 25 |
C16H19FN4O2S | test | 18 |
C16H19N2+ | test | 6 |
C16H19N7O | test | 163 |
C16H19NO2 | test | 10 |
C16H20F3N3O | test | 18 |
C16H20FN3O3 | test | 46 |
C16H20N2O4S2 | test | 51 |
C16H20N4O2 | test | 627 |
C16H20N4OS | test | 187 |
C16H21ClN4S | test | 8 |
C16H21N3O2S | test | 320 |
C16H21N5O2S | test | 102 |
C16H21N5O2S2 | test | 10 |
C16H21N7O7S3 | test | 26 |
C16H21NO2 | test | 88 |
C16H21NO5S | test | 67 |
C16H22ClN3O | test | 43 |
C16H22ClN5O2S | test | 21 |
C16H22N2O2S | test | 35 |
C16H22N2O2S2 | test | 13 |
C16H22N2O3S2 | test | 5 |
C16H22N2O4S2 | test | 8 |
C16H22N4 | test | 18 |
C16H22N4S | test | 24 |
C16H22N6O | test | 107 |
C16H22N6O3 | test | 8 |
C16H22N6S | test | 16 |
C16H22O7 | test | 28 |
C16H22O9 | test | 57 |
C16H23BrN2O3 | test | 13 |
C16H23NO | test | 5 |
C16H23NO3S2 | test | 13 |
C16H24FN5O | test | 8 |
C16H24N2O2 | test | 162 |
C16H24N2O2S | test | 62 |
C16H24N4O2S | test | 56 |
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