Subset (17)

split_A_formula_split · 21.1k rows

Split (1)

train · 21.1k rows

formula stringlengths 5 17	fold stringclasses 3 values	n_spectra int64 1 627
C13H18O4	train	13
C13H18O5	train	21
C13H18O6	train	4
C13H18O7	train	69
C13H19BrFN3O2S	train	5
C13H19BrN2O2	train	5
C13H19BrN2O2S	train	8
C13H19BrN2O3S	train	8
C13H19BrN2O5S	train	10
C13H19BrN2OS	train	8
C13H19BrN4O	train	36
C13H19BrN4O2	train	5
C13H19ClN2O2	train	16
C13H19ClN2O2S	train	31
C13H19ClN4O	train	25
C13H19ClN4O2	train	15
C13H19F2N3O4S	train	15
C13H19F3N4	train	8
C13H19F3N4O	train	49
C13H19F3N4O3S	train	21
C13H19FN2O2S	train	8
C13H19FN2O3S	train	8
C13H19FN2O4S2	train	23
C13H19FN4O	train	8
C13H19FN4O2S	train	8
C13H19N3O2S2	train	18
C13H19N3O3	train	234
C13H19N3O3S	train	21
C13H19N3O3S2	train	31
C13H19N3O4	train	13
C13H19N3O4S	train	45
C13H19N3OS	train	39
C13H19N5	train	84
C13H19N5O2	train	8
C13H19N5O2S	train	44
C13H19N5O3S	train	24
C13H19N5OS	train	33
C13H19NO	train	21
C13H19NO2	train	28
C13H19NO2S	train	21
C13H19NO4	train	40
C13H19NO4S	train	23
C13H19NO4S2	train	8
C13H19NO5	train	16
C13H19NO5S2	train	10
C13H19NOS	train	8
C13H19O4P	train	13
C13H20BrN3O	train	13
C13H20BrN5S	train	5
C13H20BrNO2	train	13
C13H20Cl2N2	train	5
C13H20ClN3O2S	train	10
C13H20ClN3O3S	train	5
C13H20ClNO3	train	10
C13H20F2N2O	train	8
C13H20F2N4O	train	5
C13H20F3N3OS	train	8
C13H20N2O	train	16
C13H20N2O2	train	32
C13H20N2O2S	train	74
C13H20N2O2S2	train	8
C13H20N2O3	train	62
C13H20N2O3S2	train	40
C13H20N2O4S2	train	49
C13H20N2O5	train	22
C13H20N2O5S	train	43
C13H20N2O5S2	train	31
C13H20N2O6S	train	21
C13H20N4O2	train	178
C13H20N4O2S	train	25
C13H20N4O2S2	train	38
C13H20N4O3	train	32
C13H20N4O3S	train	110
C13H20N4O4S	train	34
C13H20N4OS	train	8
C13H20N6O2S	train	42
C13H21F2NO3S	train	18
C13H21F3N2O3S	train	20
C13H21N3O	train	24
C13H21N3O2	train	123
C13H21N3O2S	train	16
C13H21N3O2S2	train	13
C13H21N3O3	train	43
C13H21N3O3S	train	16
C13H21N3O3S2	train	29
C13H21N3O4	train	24
C13H21N3O4S	train	93
C13H21N3O5S	train	10
C13H21N3OS	train	8
C13H21N5O	train	55
C13H21N5O2	train	5
C13H21N5O2S	train	18
C13H21N5O3	train	31
C13H21N5O3S	train	33
C13H21N5O4	train	24
C13H21N5O7S	train	10
C13H21N7O	train	8
C13H21N7O2	train	5
C13H21NO3	train	103
C13H21NO4	train	120

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