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
C20H26N6O3	train	36
C20H26N8	train	5
C20H26N8O2	train	8
C20H26N8O3	train	11
C20H26N8OS	train	13
C20H26O11	train	26
C20H26O2	train	8
C20H26O3	train	5
C20H26O4	train	35
C20H26O5	train	23
C20H26O6	train	119
C20H26O7	train	67
C20H26O9	train	15
C20H27Cl2N5O	train	8
C20H27ClN2O4	train	18
C20H27ClN4O2	train	5
C20H27ClN4O3S	train	18
C20H27F2N5O4S	train	53
C20H27F2N7O2	train	5
C20H27FN2O2	train	16
C20H27FN2O3	train	25
C20H27FN2O3S	train	8
C20H27FN4O	train	13
C20H27FN4O3	train	8
C20H27FN4O4S	train	25
C20H27FN4S	train	18
C20H27FN6O	train	10
C20H27N	train	16
C20H27N3O2	train	159
C20H27N3O3	train	51
C20H27N3O3S	train	16
C20H27N3O4	train	27
C20H27N3O4S2	train	13
C20H27N3O5	train	13
C20H27N3OS	train	10
C20H27N5	train	17
C20H27N5O	train	16
C20H27N5O2	train	152
C20H27N5O3	train	38
C20H27N5O4S	train	13
C20H27N5O6	train	10
C20H27N7O	train	29
C20H27N7O2	train	17
C20H27N7O2S	train	8
C20H27N7O3S	train	21
C20H27N9O3S	train	5
C20H27NO11	train	57
C20H27NO2	train	35
C20H27NO3	train	26
C20H27NO4	train	48
C20H27NO7	train	5
C20H28Cl2N2O3	train	15
C20H28ClN3O4	train	5
C20H28F2N2O3	train	8
C20H28F2N2O3S	train	20
C20H28F3N5O	train	7
C20H28F3N5O3	train	12
C20H28FN3O2	train	24
C20H28FN3O3	train	20
C20H28FN5O	train	18
C20H28N2O	train	53
C20H28N2O2S2	train	8
C20H28N2O3	train	159
C20H28N2O3S	train	34
C20H28N2O4	train	37
C20H28N2O4S	train	40
C20H28N2O5	train	57
C20H28N2O5S	train	16
C20H28N2O5S2	train	16
C20H28N4O	train	53
C20H28N4O2	train	122
C20H28N4O3	train	41
C20H28N4O3S	train	38
C20H28N4O4	train	103
C20H28N4O4S	train	67
C20H28N4O5S2	train	9
C20H28N4OS	train	5
C20H28N6O	train	16
C20H28N6O2	train	82
C20H28N6O3	train	10
C20H28N6O3S	train	16
C20H28O11	train	16
C20H28O4	train	128
C20H28O5S	train	16
C20H28O6	train	18
C20H28O7	train	15
C20H28O8	train	16
C20H29ClN4O2	train	8
C20H29F2N3O2S	train	6
C20H29FN2O2	train	8
C20H29FN2O3	train	8
C20H29FN4O2	train	45
C20H29N3O	train	39
C20H29N3O11	train	21
C20H29N3O2	train	151
C20H29N3O2S	train	25
C20H29N3O3	train	42
C20H29N3O3S	train	8
C20H29N3O4S2	train	16
C20H29N3O5S	train	32

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