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
C25H23N3O3	train	47
C25H23N3O3S2	train	8
C25H23N3O4	train	49
C25H23N5O	train	8
C25H23N5O2	train	17
C25H23N5O2S	train	18
C25H23N5O2S2	train	20
C25H23N5O3	train	13
C25H23N5O3S	train	13
C25H23N5O4	train	10
C25H23N5O5	train	15
C25H23N7OS	train	13
C25H23N9	train	6
C25H23NO	train	24
C25H23NO4S2	train	20
C25H24ClN3O3S	train	8
C25H24ClN3O5	train	10
C25H24F3N3O2	train	16
C25H24F3N3O3	train	26
C25H24F4N4O5	train	15
C25H24FN5O2S	train	5
C25H24N2O	train	18
C25H24N2O2	train	140
C25H24N2O2S	train	8
C25H24N2O3	train	85
C25H24N2O3S	train	5
C25H24N2O4	train	44
C25H24N2O4S	train	12
C25H24N2O5	train	33
C25H24N2O5S	train	8
C25H24N2O6	train	88
C25H24N2O7	train	68
C25H24N4O2	train	42
C25H24N4O2S	train	24
C25H24N4O3S	train	18
C25H24N6O	train	31
C25H24N6O2	train	78
C25H24N6O3	train	37
C25H24O10	train	5
C25H24O12	train	185
C25H24O13	train	10
C25H24O5	train	11
C25H24O6	train	73
C25H24O7	train	15
C25H24O8	train	5
C25H24O9	train	10
C25H25Cl2FN6O3	train	5
C25H25Cl2N7O	train	13
C25H25ClN2O4S	train	10
C25H25ClN4O4	train	26
C25H25F2N3O4	train	8
C25H25F3N2O2	train	18
C25H25F3N4O4	train	16
C25H25F3N4O6	train	23
C25H25FN4O5	train	8
C25H25N2O3+	train	8
C25H25N3O	train	29
C25H25N3O2	train	26
C25H25N3O2S	train	13
C25H25N3O3	train	13
C25H25N3O3S	train	37
C25H25N3O4	train	18
C25H25N3O4S	train	29
C25H25N3O6	train	5
C25H25N5O	train	18
C25H25N5O2S2	train	21
C25H25N5O3	train	51
C25H25N5O3S	train	23
C25H25N5O4	train	26
C25H25N7O2	train	8
C25H25N7O2S	train	10
C25H25N7O4	train	10
C25H25NO5	train	8
C25H25NO6	train	5
C25H26ClFN4O4	train	19
C25H26ClN3O	train	5
C25H26ClN3O3S	train	4
C25H26ClN5O2	train	4
C25H26ClN7	train	8
C25H26F3N5O3	train	83
C25H26F3N7	train	5
C25H26F4N2O2	train	29
C25H26FN3O2	train	4
C25H26FN3O3S	train	13
C25H26FN5O2	train	13
C25H26N2O3	train	41
C25H26N2O3S	train	19
C25H26N2O4	train	50
C25H26N2O4S	train	27
C25H26N2O5	train	18
C25H26N2O5S2	train	5
C25H26N4O2	train	5
C25H26N4O2S	train	28
C25H26N4O3	train	129
C25H26N4O3S	train	16
C25H26N4O4	train	39
C25H26N4O4S	train	16
C25H26N6O2	train	41
C25H26N7O8P	train	92
C25H26N8	train	5

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