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
C24H22N4O4	train	43
C24H22N4O4S	train	14
C24H22N4O5	train	32
C24H22N4O5S	train	33
C24H22N6O	train	8
C24H22N6O2S	train	10
C24H22N6O3	train	9
C24H22N6OS	train	8
C24H22N8O2	train	21
C24H22O13	train	26
C24H22O15	train	13
C24H22O6	train	5
C24H22O9	train	16
C24H23BrN2O4	train	11
C24H23BrN6O	train	16
C24H23ClFN5O2	train	13
C24H23ClFN5O3	train	5
C24H23ClN2O5S	train	29
C24H23ClN4O	train	5
C24H23ClN4O3	train	61
C24H23F2N5O2	train	8
C24H23F3N4O	train	29
C24H23F3N4O2	train	25
C24H23F3N4O3S	train	14
C24H23F3N6S	train	15
C24H23F4N7O3	train	39
C24H23FN2O3S	train	24
C24H23FN4O2S	train	8
C24H23FN4O3	train	44
C24H23FN4O5	train	8
C24H23FN6O	train	5
C24H23N3O	train	5
C24H23N3O2	train	7
C24H23N3O3	train	39
C24H23N3O3S	train	92
C24H23N3O4	train	39
C24H23N3O4S	train	31
C24H23N3O5	train	5
C24H23N5O	train	25
C24H23N5O2	train	34
C24H23N5O2S	train	14
C24H23N5O3	train	8
C24H23N5O3S	train	18
C24H23N5O3S2	train	16
C24H23N5O4	train	60
C24H23N5O4S	train	5
C24H23N5OS	train	26
C24H23N7O	train	18
C24H23N7O3	train	21
C24H23N7O4	train	10
C24H23NO11S	train	5
C24H23NO4	train	37
C24H24BrClN9O3+	train	5
C24H24Cl2N4O4	train	8
C24H24ClFN2O	train	53
C24H24ClN3O4	train	15
C24H24ClN5O	train	5
C24H24F2N4O2	train	18
C24H24F2N4O3	train	11
C24H24F2N6O3	train	4
C24H24F2N8O2	train	19
C24H24F3N3O2	train	8
C24H24F5N5O	train	7
C24H24FN3O2	train	8
C24H24FN3O3	train	8
C24H24FN7O	train	10
C24H24N2	train	5
C24H24N2O3	train	87
C24H24N2O3S	train	68
C24H24N2O4	train	54
C24H24N2O4S	train	56
C24H24N2O5	train	24
C24H24N2O5S	train	5
C24H24N2O5S2	train	16
C24H24N2O6	train	13
C24H24N4	train	18
C24H24N4O	train	43
C24H24N4O2S	train	34
C24H24N4O3	train	16
C24H24N4O4	train	52
C24H24N4O5S	train	24
C24H24N4O6	train	71
C24H24N4S	train	9
C24H24N6O2S3	train	13
C24H24O10	train	13
C24H24O11	train	13
C24H24O12	train	47
C24H24O13	train	35
C24H24O7	train	5
C24H24O8	train	32
C24H24O9	train	10
C24H25Cl2FN4O2	train	10
C24H25ClFN5O2	train	19
C24H25ClFN5O3	train	83
C24H25ClN2O2	train	24
C24H25ClN2O3	train	8
C24H25ClN2O4	train	13
C24H25ClN4O2	train	10
C24H25ClN4O2S	train	18
C24H25ClN4O3S	train	23

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