formula stringlengths 5 17 | fold stringclasses 3
values | n_spectra int64 1 627 |
|---|---|---|
C15H18F3NO2 | test | 40 |
C15H18FNO4 | test | 21 |
C15H18N2O4S2 | test | 10 |
C15H18N6O2 | test | 105 |
C15H18O5 | test | 82 |
C15H19ClN2O4 | test | 25 |
C15H19ClN2OS | test | 13 |
C15H19ClN6O | test | 5 |
C15H19F3N6O2 | test | 12 |
C15H19FN2O2 | test | 10 |
C15H19N3O2S2 | test | 68 |
C15H19N4O4S+ | test | 8 |
C15H19N5O2S | test | 42 |
C15H19NO3S | test | 5 |
C15H20ClFN2O2S | test | 8 |
C15H20F3N3O3 | test | 59 |
C15H20FN5O2S | test | 26 |
C15H20FNO4S | test | 8 |
C15H20N2O6 | test | 10 |
C15H20N4O | test | 96 |
C15H20N6S | test | 6 |
C15H20N8O2 | test | 18 |
C15H20O9 | test | 28 |
C15H21ClN2O3S | test | 53 |
C15H21F3N2O | test | 16 |
C15H21FN6S | test | 16 |
C15H21N5O5 | test | 35 |
C15H21NO5 | test | 15 |
C15H22ClNO4S | test | 5 |
C15H22N2O5S | test | 126 |
C15H22N2OS2 | test | 16 |
C15H22N4OS | test | 48 |
C15H22N6O3S3 | test | 20 |
C15H22O9 | test | 29 |
C15H23F3N4O2 | test | 8 |
C15H23N3O2S | test | 79 |
C15H23N3O2S2 | test | 18 |
C15H23N3S | test | 8 |
C15H23N5O14P2 | test | 18 |
C15H23N5O2S | test | 59 |
C15H23N7O2 | test | 8 |
C15H24Cl2NO4P | test | 10 |
C15H24F2N4O3S | test | 8 |
C15H24N2O3 | test | 26 |
C15H24O9 | test | 5 |
C15H25N3O4S2 | test | 21 |
C15H25N5O | test | 16 |
C15H25N5O2S | test | 26 |
C15H25N7O2 | test | 5 |
C15H26N2O2 | test | 46 |
C15H26N4O2S | test | 8 |
C15H26N8O | test | 17 |
C15H26O3 | test | 17 |
C15H27N5O | test | 21 |
C15H27NO3 | test | 18 |
C15H27NO4 | test | 13 |
C15H27NO4S | test | 10 |
C15H28N2O3S | test | 56 |
C15H8BrFN4S | test | 5 |
C15H8Cl2N2O2 | test | 6 |
C15H8N4OS2 | test | 5 |
C15H9Br2NO3 | test | 5 |
C15H9Cl2NO2 | test | 23 |
C15H9ClF6NO5P | test | 13 |
C15H9N5OS | test | 8 |
C16H10ClNO3S | test | 5 |
C16H11Cl2FO2 | test | 6 |
C16H12ClNO2S | test | 20 |
C16H12N4O4 | test | 5 |
C16H12N6OS | test | 32 |
C16H13BrN2O | test | 21 |
C16H13ClFN3O2 | test | 31 |
C16H13ClN2O4 | test | 10 |
C16H13ClN2OS2 | test | 8 |
C16H13ClN6O | test | 18 |
C16H13F2N3O2 | test | 27 |
C16H13F4N3O | test | 5 |
C16H13N3S2 | test | 5 |
C16H13N5O4S | test | 13 |
C16H14BrN5O4S | test | 5 |
C16H14BrNO | test | 18 |
C16H14BrNO3 | test | 23 |
C16H14Cl2FNO3S | test | 18 |
C16H14Cl2N2O | test | 16 |
C16H14ClN3O | test | 18 |
C16H14ClN3O2 | test | 54 |
C16H14ClN3O3S | test | 19 |
C16H14ClN3OS2 | test | 5 |
C16H14ClNO4 | test | 5 |
C16H14F3NOS | test | 8 |
C16H14FN3O3S | test | 5 |
C16H14FN5O3 | test | 5 |
C16H14FNO3S | test | 5 |
C16H14N2O4S | test | 44 |
C16H14N4O2S | test | 165 |
C16H14N4O4 | test | 31 |
C16H15BrN2O3S2 | test | 21 |
C16H15BrN4S | test | 8 |
C16H15Cl2N3O | test | 8 |
C16H15Cl2N3O3 | test | 5 |
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