formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C24H16FN3O3 | test | 4 |
C24H16O7 | test | 5 |
C24H17ClF3NO4 | test | 9 |
C24H18F3N3O4 | test | 21 |
C24H18FNO2 | test | 8 |
C24H19F2N3O4S | test | 26 |
C24H19F4N5O2 | test | 21 |
C24H19N5O2 | test | 25 |
C24H20F3N5O | test | 7 |
C24H20N2O | test | 12 |
C24H20N4O4S | test | 21 |
C24H20N6OS | test | 13 |
C24H21ClN4O3 | test | 14 |
C24H21FN2O4 | test | 5 |
C24H21N3O3 | test | 28 |
C24H21N5O5S | test | 26 |
C24H21NO2 | test | 10 |
C24H22F3N5O5 | test | 26 |
C24H22N2O3 | test | 44 |
C24H22N4O3 | test | 74 |
C24H23NO4S | test | 13 |
C24H24ClN5O2 | test | 16 |
C24H24FN5O3 | test | 20 |
C24H24N4OS | test | 9 |
C24H24N8 | test | 5 |
C24H25ClN4O3 | test | 15 |
C24H25F2N3O3 | test | 18 |
C24H25N3O | test | 20 |
C24H25N3O2 | test | 41 |
C24H25N5O2 | test | 65 |
C24H25NO6 | test | 55 |
C24H26FN3O4 | test | 26 |
C24H26FNO4 | test | 36 |
C24H27ClN4O2 | test | 8 |
C24H27FN4O3 | test | 25 |
C24H27N5O4 | test | 37 |
C24H27N7O | test | 12 |
C24H27NO5S | test | 8 |
C24H27O10P | test | 7 |
C24H28ClNO5 | test | 15 |
C24H28FN3O4 | test | 8 |
C24H28N2O3S | test | 31 |
C24H28N4O3 | test | 58 |
C24H28N6O | test | 20 |
C24H28O13 | test | 35 |
C24H28O7 | test | 78 |
C24H29Cl2NO3 | test | 7 |
C24H29N3O2 | test | 42 |
C24H29N7O2 | test | 75 |
C24H30ClN3O4 | test | 19 |
C24H30ClN5 | test | 5 |
C24H30ClN7O3S | test | 8 |
C24H30N8O | test | 16 |
C24H30N8O3 | test | 5 |
C24H31FO5 | test | 22 |
C24H31N3O | test | 36 |
C24H31N3O4 | test | 8 |
C24H32ClFO5 | test | 22 |
C24H32O12 | test | 31 |
C24H32O5 | test | 73 |
C24H34N4O2 | test | 8 |
C24H34N6O | test | 5 |
C24H35ClN2O2 | test | 10 |
C24H35NO4 | test | 28 |
C24H35NO5 | test | 16 |
C24H38N4O2S | test | 12 |
C24H38N6 | test | 8 |
C24H38O4 | test | 60 |
C24H39NO6 | test | 12 |
C24H39NO8 | test | 10 |
C24H40O12 | test | 9 |
C25H14F7N5 | test | 16 |
C25H17F3O4S | test | 5 |
C25H17FN2O3 | test | 9 |
C25H19N3O4 | test | 16 |
C25H20ClNO5 | test | 14 |
C25H20N4O2 | test | 35 |
C25H21ClN2O2 | test | 13 |
C25H21FN4O4 | test | 6 |
C25H22F3NO3S | test | 13 |
C25H22F4N6O2 | test | 5 |
C25H22FN3O4 | test | 5 |
C25H22N2O3 | test | 8 |
C25H22N2O4 | test | 18 |
C25H22N4O2S | test | 16 |
C25H23F3N2O5S | test | 32 |
C25H23F3N4O4S | test | 26 |
C25H24FN3O3 | test | 8 |
C25H25ClN6O3 | test | 10 |
C25H25F3N6O4S | test | 11 |
C25H25FN4O2 | test | 8 |
C25H25N3O5 | test | 43 |
C25H25N5O2 | test | 8 |
C25H26Cl2N2O3 | test | 5 |
C25H26F6N2O2 | test | 30 |
C25H26N4OS | test | 23 |
C25H27F3N2O4 | test | 21 |
C25H27NO2 | test | 20 |
C25H28Cl2N4O3 | test | 8 |
C25H28ClN3O | test | 16 |
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