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
C17H15ClO3	train	8
C17H15ClO4	train	33
C17H15ClO6	train	8
C17H15ClO8	train	10
C17H15F2IN4O4	train	14
C17H15F2N3O	train	23
C17H15F2N3O2	train	45
C17H15F2N3O2S	train	10
C17H15F2N3O3	train	18
C17H15F2N5O	train	5
C17H15F2NO2	train	13
C17H15F2NO3S2	train	5
C17H15F3N2O	train	5
C17H15F3N2O2	train	15
C17H15F3N2O3S	train	24
C17H15F3N2O4S2	train	5
C17H15F3N2O5S2	train	11
C17H15F3N4	train	8
C17H15F3N4O	train	55
C17H15F3N4O3S2	train	26
C17H15F3N4OS	train	5
C17H15F6N5O	train	5
C17H15FN2O	train	8
C17H15FN2O2	train	15
C17H15FN2O2S2	train	10
C17H15FN2O3	train	62
C17H15FN2O3S	train	17
C17H15FN2O3S2	train	13
C17H15FN2O4S	train	8
C17H15FN2OS2	train	8
C17H15FN2S2	train	5
C17H15FN4O	train	47
C17H15FN4O3	train	33
C17H15FN6O3	train	22
C17H15FN6S	train	5
C17H15IN2OS	train	13
C17H15N3O2	train	42
C17H15N3O2S	train	195
C17H15N3O3S	train	64
C17H15N3O6	train	16
C17H15N3OS	train	133
C17H15N3OS2	train	73
C17H15N3S	train	16
C17H15N3S2	train	8
C17H15N5	train	15
C17H15N5O	train	69
C17H15N5O2	train	57
C17H15N5O3	train	23
C17H15N5O3S	train	5
C17H15N5OS	train	37
C17H15N5S	train	50
C17H15N7	train	11
C17H15N7O2	train	12
C17H15N9	train	27
C17H15NO	train	5
C17H15NO2	train	21
C17H15NO2S2	train	5
C17H15NO3	train	10
C17H15NO4S	train	15
C17H15NO5S	train	10
C17H15NO6	train	21
C17H15NOS2	train	31
C17H15O3+	train	8
C17H16BrClN2O2	train	5
C17H16BrF3N4O	train	20
C17H16BrF4NO2	train	5
C17H16BrFN6O4	train	10
C17H16BrN3	train	12
C17H16BrN3O2	train	36
C17H16BrN3O3	train	5
C17H16BrN5O3	train	18
C17H16BrNO	train	5
C17H16BrNO3	train	23
C17H16Cl2N2O2	train	5
C17H16ClF2NO2	train	5
C17H16ClFN2	train	8
C17H16ClFN2O2	train	6
C17H16ClFN2O3S2	train	5
C17H16ClFN2O4S	train	13
C17H16ClFN2OS	train	9
C17H16ClFN6O	train	5
C17H16ClN3O	train	68
C17H16ClN3O2	train	67
C17H16ClN3O2S	train	13
C17H16ClN3O3	train	9
C17H16ClN3O3S	train	5
C17H16ClN3O4S	train	8
C17H16ClN3OS	train	29
C17H16ClN3S	train	5
C17H16ClN5O	train	72
C17H16ClN5O2	train	24
C17H16ClN5S	train	8
C17H16ClN7	train	8
C17H16ClNO	train	45
C17H16ClNO2	train	18
C17H16ClNO3	train	25
C17H16ClNO3S	train	23
C17H16ClNO4	train	23
C17H16ClNO4S2	train	5
C17H16ClNO5S	train	5

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