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
C15H20FN5O3S	train	13
C15H20FNO5S	train	5
C15H20N2	train	8
C15H20N2O	train	22
C15H20N2O2	train	52
C15H20N2O2S	train	5
C15H20N2O2S2	train	13
C15H20N2O3	train	170
C15H20N2O3S2	train	10
C15H20N2O4	train	75
C15H20N2O4S	train	113
C15H20N2O4S2	train	5
C15H20N2O5	train	85
C15H20N2O5S	train	95
C15H20N4	train	7
C15H20N4O2S	train	257
C15H20N4O2S2	train	28
C15H20N4O3	train	115
C15H20N4O3S	train	89
C15H20N4O3S2	train	10
C15H20N4O4	train	80
C15H20N4O4S2	train	10
C15H20N4O5	train	36
C15H20N4O5S	train	13
C15H20N4OS	train	203
C15H20N4OS2	train	8
C15H20N6O	train	102
C15H20N6O2	train	87
C15H20N6O2S	train	29
C15H20N6O6	train	10
C15H20N6OS	train	18
C15H20O10	train	10
C15H20O2	train	13
C15H20O4	train	173
C15H20O6	train	27
C15H20O7	train	15
C15H21BrN2O	train	8
C15H21BrN4O2	train	8
C15H21Cl2N3O2	train	10
C15H21ClFN3O2	train	16
C15H21ClN2O2	train	13
C15H21ClN2O2S	train	8
C15H21ClN2O3	train	54
C15H21ClN2O4S	train	41
C15H21ClN4O2	train	8
C15H21ClN4O2S	train	8
C15H21ClN4O4S2	train	10
C15H21F2N3O2	train	23
C15H21F3N2O2	train	29
C15H21F3N2O3S2	train	8
C15H21F3N4	train	8
C15H21F3N4O	train	106
C15H21F3N4O2	train	37
C15H21F3N4O4	train	8
C15H21FN2O2	train	7
C15H21FN2O3S	train	39
C15H21FN4O2	train	21
C15H21FN6O	train	8
C15H21IN6O2	train	24
C15H21N3O	train	64
C15H21N3O2	train	157
C15H21N3O2S	train	163
C15H21N3O2S2	train	37
C15H21N3O2S3	train	22
C15H21N3O3	train	60
C15H21N3O3S	train	185
C15H21N3O3S2	train	5
C15H21N3O4S	train	72
C15H21N3O5	train	10
C15H21N3O6	train	15
C15H21N3OS	train	8
C15H21N5	train	27
C15H21N5O	train	69
C15H21N5O2	train	158
C15H21N5O3S	train	23
C15H21N5OS	train	53
C15H21N5S	train	16
C15H21N7O	train	18
C15H21N7O2	train	17
C15H21N7O3	train	8
C15H21N7S	train	20
C15H21NO2	train	8
C15H21NO3	train	79
C15H21NO3S	train	13
C15H21NO3S2	train	21
C15H21NO4	train	86
C15H21NO4S	train	149
C15H21NO4S2	train	13
C15H21NO5S	train	54
C15H21NO6	train	46
C15H21NO6S	train	22
C15H21NO7S2	train	18
C15H22BrN3O	train	8
C15H22BrNO	train	8
C15H22BrNO3	train	16
C15H22ClN3O2	train	16
C15H22ClN3O3S	train	23
C15H22ClN5O2	train	5
C15H22ClNO2	train	13
C15H22ClNO4S2	train	1

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