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
C15H15N3O6	train	5
C15H15N3OS	train	49
C15H15N3OS2	train	151
C15H15N3OS3	train	5
C15H15N3S2	train	12
C15H15N5	train	27
C15H15N5O	train	29
C15H15N5O2S	train	104
C15H15N5O3S	train	16
C15H15N7O	train	16
C15H15N7O2	train	42
C15H15N7O3	train	13
C15H15N7OS	train	21
C15H15N9	train	5
C15H15NO	train	15
C15H15NO2	train	41
C15H15NO2S	train	8
C15H15NO2S3	train	5
C15H15NO3	train	55
C15H15NO4	train	28
C15H15NO4S	train	137
C15H15NO4S2	train	21
C15H15NO6	train	8
C15H15NO7	train	10
C15H16BrClN4O	train	5
C15H16BrN3O	train	26
C15H16BrN5	train	8
C15H16BrN7O2	train	5
C15H16BrNO2	train	13
C15H16BrNO3	train	10
C15H16BrNOS	train	13
C15H16Cl2N2O2	train	5
C15H16Cl2N2O8	train	15
C15H16Cl2N4O	train	28
C15H16Cl2N4O2	train	14
C15H16Cl3N3O2	train	5
C15H16ClF3N6O2	train	5
C15H16ClFN2O2	train	5
C15H16ClFN2OS	train	21
C15H16ClFN4O	train	13
C15H16ClN3O	train	16
C15H16ClN3O2	train	133
C15H16ClN3O3	train	25
C15H16ClN3O4	train	13
C15H16ClN3OS	train	58
C15H16ClN3S	train	18
C15H16ClN5	train	18
C15H16ClN5O	train	65
C15H16ClN5O3	train	13
C15H16ClN5S	train	8
C15H16ClNO2S	train	49
C15H16ClNO3	train	10
C15H16ClNO3S	train	5
C15H16ClNO3S2	train	8
C15H16ClNO4	train	5
C15H16F2N2O2	train	8
C15H16F2N2O2S2	train	8
C15H16F2N4O	train	16
C15H16F2N4O2	train	55
C15H16F3N3O	train	8
C15H16F3N3O2	train	49
C15H16F3N3O2S	train	39
C15H16F3N3O3	train	38
C15H16F3N3OS	train	16
C15H16F3N5	train	8
C15H16F3N5O	train	36
C15H16F3NO3S	train	13
C15H16F3NO3S2	train	13
C15H16F4N2O2	train	10
C15H16F4N6O	train	20
C15H16FN3O	train	64
C15H16FN3O2	train	15
C15H16FN3O3	train	108
C15H16FN3O3S	train	54
C15H16FN3OS	train	34
C15H16FN5O	train	45
C15H16FN5O2	train	37
C15H16FN5OS	train	5
C15H16FN7	train	8
C15H16FNO2S2	train	5
C15H16FNO3S	train	42
C15H16FNO4	train	20
C15H16FNO4S	train	18
C15H16N2O	train	26
C15H16N2O2	train	99
C15H16N2O2S	train	13
C15H16N2O3S	train	220
C15H16N2O3S2	train	49
C15H16N2O4	train	67
C15H16N2O4S	train	164
C15H16N2O5S	train	69
C15H16N2O5S2	train	10
C15H16N2O6	train	13
C15H16N4	train	8
C15H16N4O	train	56
C15H16N4O2	train	26
C15H16N4O2S	train	246
C15H16N4O2S2	train	39
C15H16N4O3S2	train	18
C15H16N4O4S	train	21

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