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
C20H17Cl2NO4	train	18
C20H17ClF2N4O2	train	11
C20H17ClF3NO2	train	16
C20H17ClF4N4O4S	train	13
C20H17ClFN3O3	train	9
C20H17ClN2O	train	5
C20H17ClN2O3S	train	31
C20H17ClN2O4	train	32
C20H17ClN4O	train	8
C20H17ClN4O3S	train	10
C20H17ClN4O4S	train	18
C20H17ClN6O3	train	5
C20H17F2N3O2	train	15
C20H17F2N3O3	train	28
C20H17F2N3O3S2	train	12
C20H17F2N5O	train	24
C20H17F2N5O2	train	22
C20H17F3N2O2S	train	8
C20H17F3N2O3S	train	12
C20H17F3N2O4	train	10
C20H17F3N4O3	train	64
C20H17F3N4OS	train	8
C20H17F3O3	train	5
C20H17FN2O	train	8
C20H17FN2O2	train	5
C20H17FN2O2S	train	8
C20H17FN2O3	train	13
C20H17FN2O4	train	21
C20H17FN2O4S	train	17
C20H17FN4O	train	5
C20H17FN6	train	8
C20H17FN6O	train	21
C20H17FO3S	train	10
C20H17IO4	train	8
C20H17N3O	train	46
C20H17N3O2	train	98
C20H17N3O2S	train	21
C20H17N3O2S2	train	10
C20H17N3O3	train	14
C20H17N3O3S2	train	5
C20H17N3O4	train	5
C20H17N3O4S	train	20
C20H17N3O4S2	train	10
C20H17N5O2	train	16
C20H17N5O2S	train	18
C20H17N5O4	train	10
C20H17N5OS	train	55
C20H17N5S2	train	4
C20H17NO2	train	46
C20H17NO3	train	46
C20H17NO4	train	5
C20H17NO6	train	16
C20H18BN3O3	train	7
C20H18BrN3O2S	train	13
C20H18BrN3O3	train	25
C20H18BrN3O3S	train	10
C20H18BrN5O2	train	10
C20H18BrNO4S2	train	5
C20H18Cl2N2O2S	train	5
C20H18Cl2N2O4	train	15
C20H18Cl2N2O4S2	train	10
C20H18Cl2N4O2	train	5
C20H18Cl2N4O3	train	5
C20H18ClN3O2	train	23
C20H18ClN3O3S	train	17
C20H18ClN3O3S2	train	13
C20H18ClN3O4S	train	21
C20H18ClN3O5	train	13
C20H18ClN3O5S	train	5
C20H18ClN3O6	train	13
C20H18ClN5O2	train	13
C20H18ClN5O4S	train	9
C20H18ClN5OS	train	13
C20H18ClNO2S	train	5
C20H18ClNO3	train	5
C20H18ClNO3S	train	8
C20H18ClNO5S	train	10
C20H18ClNO6	train	16
C20H18ClNO6S2	train	13
C20H18F2N2O3	train	10
C20H18F2N2O4S2	train	17
C20H18F2N4O	train	5
C20H18F2N6O	train	8
C20H18F3N3O2S	train	10
C20H18F3N3O2S2	train	10
C20H18F3N3O3	train	36
C20H18F3N3O3S	train	5
C20H18F3N3O4	train	33
C20H18F3N5O2	train	73
C20H18F3N5O4S	train	21
C20H18F3N7	train	5
C20H18FN3O	train	33
C20H18FN3O2	train	8
C20H18FN3O4S	train	5
C20H18FN3O5S	train	10
C20H18FN5O	train	4
C20H18FN5O2	train	19
C20H18FN5O3	train	40
C20H18FN5O3S	train	10
C20H18FN5OS	train	26

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