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
C16H23ClFNO2	train	13
C16H23ClN2O3	train	40
C16H23ClN2O4S	train	13
C16H23ClN4O	train	8
C16H23ClN4O2	train	18
C16H23ClN6O	train	5
C16H23F2N3O	train	14
C16H23F2N3O2	train	5
C16H23F3N4O	train	16
C16H23FN2O	train	13
C16H23FN2O2	train	8
C16H23FN4O	train	8
C16H23FN4O2	train	8
C16H23FN4O3	train	18
C16H23FN4OS	train	6
C16H23N3O	train	32
C16H23N3O2	train	108
C16H23N3O2S	train	189
C16H23N3O3	train	197
C16H23N3O3S	train	147
C16H23N3O3S2	train	8
C16H23N3O4	train	94
C16H23N3O4S	train	43
C16H23N3O4S2	train	5
C16H23N3O5	train	8
C16H23N3O5S	train	24
C16H23N3OS	train	97
C16H23N3OS2	train	5
C16H23N3S2	train	8
C16H23N5O	train	202
C16H23N5O2	train	120
C16H23N5O2S	train	54
C16H23N5O3	train	96
C16H23N5O4	train	20
C16H23N5OS	train	26
C16H23N5S2	train	8
C16H23N7	train	32
C16H23N7O	train	34
C16H23N7O2	train	26
C16H23NO2	train	13
C16H23NO3	train	63
C16H23NO4	train	87
C16H23NO4S	train	46
C16H23NO5	train	46
C16H23NO5S	train	36
C16H23NO5S2	train	10
C16H23NO6	train	21
C16H23NO6S	train	32
C16H24BrNO	train	8
C16H24BrNO2	train	8
C16H24ClN3O	train	16
C16H24ClN3O2	train	30
C16H24ClNO3	train	8
C16H24F2N4O	train	20
C16H24F3N3O	train	8
C16H24F3N5O	train	20
C16H24FNO5	train	13
C16H24INO2	train	8
C16H24N2	train	12
C16H24N2O	train	21
C16H24N2O2S2	train	29
C16H24N2O3	train	63
C16H24N2O4	train	133
C16H24N2O4S2	train	5
C16H24N2O5S	train	21
C16H24N2O5S2	train	12
C16H24N2O6	train	10
C16H24N2O7	train	18
C16H24N2OS2	train	8
C16H24N4O2	train	177
C16H24N4O3S	train	37
C16H24N4O4	train	62
C16H24N4O4S	train	25
C16H24N4OS	train	44
C16H24N4S	train	8
C16H24N6O2	train	8
C16H24N6O3	train	10
C16H24N6OS	train	43
C16H24N6S	train	33
C16H24N8	train	8
C16H24N8O	train	22
C16H24NO5+	train	24
C16H24O10	train	28
C16H24O11	train	8
C16H24O4	train	8
C16H24O5	train	32
C16H24O7	train	35
C16H24O8	train	15
C16H24O9	train	41
C16H25ClN2O3	train	8
C16H25F2N3O2	train	26
C16H25F3N4O	train	8
C16H25FN2O2S	train	13
C16H25FN4O2	train	8
C16H25N3O	train	31
C16H25N3O2	train	93
C16H25N3O2S	train	8
C16H25N3O4	train	53
C16H25N3O4S	train	28
C16H25N3O4S2	train	20

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