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
C14H14N2O2	train	21
C14H14N2O2S2	train	61
C14H14N2O3	train	104
C14H14N2O3S	train	28
C14H14N2O3S2	train	5
C14H14N2O4	train	49
C14H14N2O4S	train	54
C14H14N2O4S2	train	15
C14H14N2O5S	train	13
C14H14N3+	train	5
C14H14N4O	train	30
C14H14N4O2S	train	157
C14H14N4O3	train	79
C14H14N4O3S	train	39
C14H14N4OS2	train	15
C14H14N6O3	train	22
C14H14N6OS	train	73
C14H14N6OS2	train	62
C14H14N6S	train	13
C14H14N8O4S3	train	26
C14H14N8S	train	10
C14H14O3	train	86
C14H14O4	train	42
C14H14O4S2	train	5
C14H14O5	train	5
C14H14O5S	train	10
C14H14O6	train	20
C14H14O7	train	10
C14H14O8	train	5
C14H15BrClNO6	train	5
C14H15BrFN3O	train	26
C14H15BrN2O	train	21
C14H15BrN2O2	train	60
C14H15BrN2O2S	train	13
C14H15BrN2O2S2	train	17
C14H15BrN2O3	train	8
C14H15BrN2OS	train	26
C14H15BrN4O	train	54
C14H15BrN6	train	8
C14H15BrN6O2	train	10
C14H15BrNO3P	train	13
C14H15Cl2N3O2	train	26
C14H15Cl2N3O2S	train	16
C14H15Cl2N3O2S2	train	5
C14H15Cl2N3OS	train	10
C14H15Cl2N5O	train	16
C14H15ClFN3O2S	train	34
C14H15ClFN3OS	train	26
C14H15ClFNO4	train	7
C14H15ClFNO4S	train	8
C14H15ClN2O2S	train	66
C14H15ClN2O3	train	5
C14H15ClN2O5S	train	23
C14H15ClN2O6S	train	5
C14H15ClN2OS	train	15
C14H15ClN2OS2	train	18
C14H15ClN4O	train	5
C14H15ClN4O2	train	97
C14H15ClN4O2S	train	29
C14H15ClN4O3	train	21
C14H15ClN4O3S	train	23
C14H15ClN4OS	train	13
C14H15ClN4S	train	21
C14H15F2N3O	train	19
C14H15F2N3O2	train	8
C14H15F2N3O2S	train	8
C14H15F2N3O3S	train	26
C14H15F2N3OS	train	5
C14H15F2N3S	train	5
C14H15F2N5O	train	18
C14H15F2NO3	train	15
C14H15F2NO4S	train	5
C14H15F3N2OS	train	14
C14H15F3N3O6P	train	32
C14H15F3N4O	train	66
C14H15F3N4O2	train	101
C14H15F3N4O3	train	49
C14H15F3N4S	train	32
C14H15F3N6O	train	25
C14H15F5N2O	train	13
C14H15F6N3O2S	train	13
C14H15F6N3S	train	26
C14H15FN2O2	train	5
C14H15FN2O2S	train	10
C14H15FN2O3	train	8
C14H15FN2O3S	train	5
C14H15FN4	train	8
C14H15FN4O	train	15
C14H15FN4O2	train	18
C14H15FN4O2S	train	23
C14H15FN4OS	train	16
C14H15FN6O	train	8
C14H15N3	train	6
C14H15N3O	train	8
C14H15N3O2	train	159
C14H15N3O2S	train	7
C14H15N3O2S2	train	22
C14H15N3O3S	train	118
C14H15N3O3S2	train	10
C14H15N3O4	train	84

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