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
C11H16IN3O2	train	21
C11H16N2O	train	21
C11H16N2O2S	train	8
C11H16N2O3	train	29
C11H16N2O3S	train	57
C11H16N2O3S2	train	10
C11H16N2O4	train	13
C11H16N2O4S	train	57
C11H16N2O5	train	25
C11H16N2O8P+	train	13
C11H16N4O2	train	5
C11H16N4O3	train	77
C11H16N4O3S2	train	8
C11H16N4O4	train	43
C11H16N5O5+	train	16
C11H16N6O2	train	25
C11H16N6O2S	train	10
C11H16NO2PS2	train	5
C11H16O2	train	16
C11H16O4	train	4
C11H16O7	train	5
C11H17BrN4O2	train	5
C11H17ClN2O3S	train	5
C11H17F2N5O	train	23
C11H17F2N5O3S	train	23
C11H17F2NO4	train	21
C11H17F2NO5	train	5
C11H17F3N2O4	train	13
C11H17F3N2O5S	train	8
C11H17F3N4OS	train	29
C11H17N3O	train	10
C11H17N3O2	train	15
C11H17N3O2S	train	23
C11H17N3O3S	train	9
C11H17N3O3S2	train	10
C11H17N3O4S	train	45
C11H17N5O2	train	77
C11H17N5O2S	train	86
C11H17NO	train	13
C11H17NO3	train	154
C11H17NO4	train	21
C11H17NO5	train	9
C11H17NO6S	train	10
C11H18BrN3O2S	train	8
C11H18ClN3O2S	train	5
C11H18ClN5OS	train	13
C11H18F2N2O3	train	16
C11H18FNO5	train	5
C11H18N2O2	train	23
C11H18N2O3S	train	20
C11H18N2O4	train	10
C11H18N2O5S2	train	10
C11H18N4O	train	5
C11H18N4O2S2	train	39
C11H18N4O3	train	25
C11H18N4O3S2	train	8
C11H18N4O4	train	31
C11H18NO2+	train	5
C11H18O3	train	8
C11H18O4	train	13
C11H18O5	train	25
C11H18O8	train	10
C11H19F3N2O2	train	20
C11H19N2O+	train	5
C11H19N3O2S	train	21
C11H19N3O3S	train	13
C11H19N3O4	train	5
C11H19N3O4S	train	13
C11H19N3O5S	train	13
C11H19N3O6S	train	13
C11H19N4O7P	train	25
C11H19N5	train	6
C11H19NO10	train	15
C11H19NO10S2	train	8
C11H19NO2	train	13
C11H19NO3	train	81
C11H19NO4S	train	43
C11H19NO5S	train	5
C11H19NO9	train	35
C11H20F2N2O2	train	18
C11H20F3N3O3S	train	13
C11H20N2O3	train	21
C11H20N2O3S	train	25
C11H20N2O5S	train	43
C11H20N3O3PS	train	8
C11H20N4O2S	train	5
C11H20N4O2S2	train	10
C11H20N4O4	train	5
C11H20N4O4S	train	13
C11H20N6O2	train	8
C11H20O3	train	8
C11H20O4	train	42
C11H20O5	train	5
C11H20O6	train	8
C11H20O7	train	5
C11H21N	train	13
C11H21N3O4S	train	8
C11H21NO2	train	8
C11H21NO3	train	26
C11H21NO4	train	8

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