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
C14H15N3O4S	train	84
C14H15N3O5	train	38
C14H15N3O5S	train	29
C14H15N3O5S2	train	13
C14H15N5O2S	train	90
C14H15N5O3S	train	31
C14H15N5OS	train	94
C14H15N5OS2	train	13
C14H15N7	train	8
C14H15N7OS	train	42
C14H15N7S	train	5
C14H15NO2	train	47
C14H15NO3	train	112
C14H15NO3S	train	8
C14H15NO3S2	train	17
C14H15NO4	train	43
C14H15NO4S2	train	33
C14H15NO5S2	train	5
C14H15NO6S	train	18
C14H15NO7	train	10
C14H16BrN3O	train	19
C14H16BrN3O2	train	31
C14H16BrN3O3S	train	13
C14H16BrN3S	train	18
C14H16BrN5O	train	10
C14H16BrNO2	train	13
C14H16BrNO4	train	5
C14H16Cl2N2O2	train	20
C14H16Cl2N2O3	train	10
C14H16Cl2N2OS	train	7
C14H16ClF3N2O	train	28
C14H16ClFN2O3	train	16
C14H16ClN3	train	10
C14H16ClN3O	train	25
C14H16ClN3O2	train	17
C14H16ClN3O3S	train	43
C14H16ClN3O4S	train	36
C14H16ClN3O4S2	train	20
C14H16ClN3OS	train	12
C14H16ClN3OS2	train	5
C14H16ClN5O	train	43
C14H16ClN5O2S	train	5
C14H16ClN5O4S	train	13
C14H16ClN5OS	train	42
C14H16ClN7O2	train	5
C14H16ClNO2S2	train	18
C14H16ClNO3	train	67
C14H16ClNO3S2	train	8
C14H16ClNO4	train	23
C14H16ClNO4S	train	16
C14H16ClNO6S	train	26
C14H16F2N2O3	train	18
C14H16F2N4O3	train	12
C14H16F2N6O	train	17
C14H16F3N3O	train	8
C14H16F3N3O2	train	70
C14H16F3N3O2S	train	15
C14H16F3N3O3	train	18
C14H16F3N3O4	train	13
C14H16F3N3S	train	5
C14H16F3N5	train	36
C14H16F3N5O2	train	42
C14H16F3N7	train	8
C14H16F3NO3	train	7
C14H16F3NO4S	train	13
C14H16F4N2O2	train	25
C14H16FN3O2	train	13
C14H16FN3O2S	train	26
C14H16FN3O2S2	train	34
C14H16FN3O3	train	40
C14H16FN3O3S	train	45
C14H16FN3O5S	train	31
C14H16FN5O	train	5
C14H16FNO3	train	120
C14H16FNO4	train	21
C14H16FNO5S	train	8
C14H16IN3O	train	11
C14H16INS	train	8
C14H16N2	train	5
C14H16N2O2	train	89
C14H16N2O2S	train	10
C14H16N2O2S2	train	73
C14H16N2O3	train	87
C14H16N2O3S	train	37
C14H16N2O3S2	train	18
C14H16N2O4	train	59
C14H16N2O4S	train	90
C14H16N2O4S2	train	29
C14H16N2O5	train	33
C14H16N2O5S	train	28
C14H16N2OS	train	8
C14H16N4	train	29
C14H16N4O	train	108
C14H16N4O2S	train	135
C14H16N4O3	train	106
C14H16N4O3S	train	110
C14H16N4OS2	train	37
C14H16N4S	train	8
C14H16N4S2	train	14
C14H16N4S3	train	8

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