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
C15H14N2O2	train	22
C15H14N2O2S2	train	20
C15H14N2O2S3	train	8
C15H14N2O3S	train	102
C15H14N2O4	train	36
C15H14N2O4S	train	58
C15H14N2O4S2	train	10
C15H14N2O5S	train	5
C15H14N2OS2	train	43
C15H14N4O	train	52
C15H14N4O2S	train	175
C15H14N4O2S2	train	21
C15H14N4O3S	train	106
C15H14N4O4	train	24
C15H14N4O4S	train	35
C15H14N4O6S2	train	13
C15H14N4OS2	train	27
C15H14N4S	train	5
C15H14N4S2	train	14
C15H14N6O2	train	12
C15H14N6O3S	train	13
C15H14N6OS	train	16
C15H14N6S	train	11
C15H14O4	train	95
C15H14O5	train	50
C15H14O6	train	76
C15H14O7	train	38
C15H14O8	train	17
C15H14OS2	train	8
C15H15BrF3N3O2S	train	18
C15H15BrFN3O	train	21
C15H15BrFN3O3	train	12
C15H15BrN2O3S	train	5
C15H15BrN2O4S	train	5
C15H15BrN2OS	train	20
C15H15BrN4O	train	30
C15H15Cl2N3O	train	10
C15H15Cl2N3O2	train	13
C15H15Cl2N5	train	10
C15H15Cl2N5O	train	5
C15H15Cl2NO2	train	5
C15H15Cl2NO4	train	5
C15H15ClF3N3O3	train	8
C15H15ClFN3O	train	21
C15H15ClFN3O2	train	19
C15H15ClFN3O3	train	18
C15H15ClFNO3S	train	8
C15H15ClN2O	train	10
C15H15ClN2O2	train	5
C15H15ClN2O2S	train	86
C15H15ClN2O3S	train	36
C15H15ClN2O4S	train	29
C15H15ClN2O5	train	5
C15H15ClN2OS	train	12
C15H15ClN2OS2	train	8
C15H15ClN4O	train	65
C15H15ClN4O2	train	83
C15H15ClN4S	train	24
C15H15ClN6	train	13
C15H15ClN6O	train	12
C15H15ClN6O2	train	26
C15H15F2N3O2	train	10
C15H15F2N3O2S	train	15
C15H15F2N3O3	train	8
C15H15F2N3OS	train	34
C15H15F2N5O	train	16
C15H15F3N2O2	train	23
C15H15F3N2O2S	train	40
C15H15F3N2O3S	train	16
C15H15F3N2OS	train	16
C15H15F3N4	train	16
C15H15F3N4O	train	66
C15H15F3N4O2	train	100
C15H15F3N4O4	train	11
C15H15F3N4O4S	train	21
C15H15F3N6	train	12
C15H15F3N6O2	train	13
C15H15FIN3O3	train	15
C15H15FN2O3	train	10
C15H15FN2O4S	train	18
C15H15FN4O	train	13
C15H15FN4O2	train	60
C15H15FN4O3	train	33
C15H15FN4OS	train	10
C15H15FN4S2	train	16
C15H15FN6O	train	51
C15H15FN6O2	train	58
C15H15IN2O	train	8
C15H15N	train	8
C15H15N3O	train	64
C15H15N3O2	train	102
C15H15N3O2S	train	158
C15H15N3O2S2	train	5
C15H15N3O2S3	train	8
C15H15N3O3	train	60
C15H15N3O3S	train	53
C15H15N3O3S2	train	34
C15H15N3O4	train	111
C15H15N3O4S	train	13
C15H15N3O5S	train	16

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