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
C21H13ClFN3O3	train	13
C21H13F3N2O4	train	10
C21H13F4N5O	train	11
C21H13FN2O	train	8
C21H13N3O3	train	11
C21H14ClFN2O2	train	5
C21H14F2N2O	train	8
C21H14F2N2O3S	train	5
C21H14F2N4O4	train	13
C21H14F6O5	train	11
C21H14N2O	train	5
C21H14N2O2	train	11
C21H14N4	train	23
C21H14N4O3	train	16
C21H14N4O3S	train	8
C21H14N6OS2	train	13
C21H15BrN4O4	train	8
C21H15ClF3NO2	train	25
C21H15ClF4N4O4	train	18
C21H15ClFN3O2S	train	5
C21H15ClN2O3S2	train	5
C21H15ClN4O3S	train	21
C21H15ClN8O	train	10
C21H15F2N3O3S	train	51
C21H15F2N5O	train	20
C21H15F3N6O	train	8
C21H15F4N5O2S	train	23
C21H15N3O	train	51
C21H15N3O2	train	10
C21H15N3O2S	train	5
C21H15N3O2S3	train	5
C21H15N3O4	train	52
C21H15N3O6	train	11
C21H15N5	train	40
C21H15N5OS	train	10
C21H15NO2	train	31
C21H16BrNO6	train	10
C21H16Cl2N2O4	train	6
C21H16Cl2N4OS	train	5
C21H16ClF3N4	train	12
C21H16ClF3N4O3	train	113
C21H16ClFN2O3S	train	19
C21H16ClFN2O4	train	5
C21H16ClFN4O4	train	8
C21H16ClN3O4	train	21
C21H16ClN5O2	train	35
C21H16ClNO4	train	44
C21H16F2N4O	train	13
C21H16F2N4O2	train	14
C21H16F3N3O3	train	39
C21H16F3N3O4	train	4
C21H16F4N2O4	train	8
C21H16F4N4O2	train	13
C21H16F4N4O2S	train	18
C21H16F5N7O3	train	25
C21H16FN3O	train	30
C21H16FN3O3	train	5
C21H16FN3O3S	train	20
C21H16FN5O	train	5
C21H16FN5O4	train	5
C21H16FN7	train	13
C21H16FN7O	train	13
C21H16N2O	train	12
C21H16N2O2	train	40
C21H16N2O2S	train	24
C21H16N2O3	train	7
C21H16N2O4S	train	15
C21H16N2O5S2	train	5
C21H16N2O9S2	train	19
C21H16N4O	train	18
C21H16N4O2	train	16
C21H16N4O2S2	train	26
C21H16N4O3	train	5
C21H16N4O3S	train	13
C21H16N6O2	train	16
C21H16N6O2S2	train	8
C21H16O4	train	5
C21H16O9	train	8
C21H17BrN2O2	train	15
C21H17BrN2O3	train	18
C21H17BrN2O4S	train	10
C21H17Cl2N3O2S	train	5
C21H17Cl2N7OS	train	13
C21H17ClF2N4O2	train	31
C21H17ClN2O2S2	train	8
C21H17ClN2O3	train	18
C21H17ClN2O6	train	15
C21H17ClN4O2	train	31
C21H17ClN4O3	train	5
C21H17ClN4O3S	train	5
C21H17ClN6	train	10
C21H17ClN6O	train	8
C21H17ClO5S	train	5
C21H17F2N3O3	train	15
C21H17F2N3O6S	train	8
C21H17F2N5O	train	5
C21H17F2N5O3	train	10
C21H17F3N4O	train	8
C21H17F3N4O2S	train	5
C21H17F3N4OS	train	26

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