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
C26H24F3N7O3Se	train	10
C26H24F4N6O	train	5
C26H24F7N3O	train	18
C26H24FN3O3	train	30
C26H24FN5O2S	train	8
C26H24N2O	train	18
C26H24N2O3	train	13
C26H24N2O4	train	29
C26H24N2O4S2	train	5
C26H24N2O6	train	36
C26H24N2O6S	train	13
C26H24N4O2	train	52
C26H24N4O5	train	14
C26H24N6O2	train	46
C26H24N6O9S	train	9
C26H24N8O2	train	48
C26H24O12	train	17
C26H24O13	train	5
C26H24O14	train	18
C26H25BrN4O3	train	10
C26H25Cl2FN8	train	13
C26H25ClF3N5O3	train	21
C26H25ClN2O3	train	38
C26H25F2N3O6	train	13
C26H25F2N7O6S2	train	9
C26H25F3N4OS	train	5
C26H25F9N2O4	train	13
C26H25FN4O3	train	16
C26H25FN6O3	train	16
C26H25N3O2	train	10
C26H25N3O3	train	18
C26H25N3O3S	train	16
C26H25N3O4	train	5
C26H25N3O4S	train	16
C26H25N5O	train	18
C26H25N5O2	train	92
C26H25N5O3	train	21
C26H25N5O3S	train	16
C26H25N5OS	train	6
C26H25NO6S	train	23
C26H26ClN5O	train	8
C26H26ClN5O2	train	18
C26H26ClNO5	train	8
C26H26ClNO6	train	10
C26H26F2N2	train	14
C26H26F3N3O3	train	103
C26H26F3N5O2	train	15
C26H26F4N4O3	train	10
C26H26FN5O3	train	17
C26H26FN7O2	train	24
C26H26N2O3	train	125
C26H26N2O4	train	44
C26H26N2O5	train	14
C26H26N2O6	train	76
C26H26N2O6S	train	10
C26H26N2O7	train	33
C26H26N4	train	5
C26H26N4O2	train	47
C26H26N4O3	train	90
C26H26N4O4S	train	32
C26H26N6	train	10
C26H26N6O	train	9
C26H26N6O2S	train	33
C26H26O6	train	8
C26H27Cl2FN6O3	train	10
C26H27Cl2N5O2	train	8
C26H27ClN2O3S2	train	21
C26H27ClN4O2	train	10
C26H27F3N2O6	train	42
C26H27F4N3O7	train	16
C26H27F4N7O2	train	30
C26H27F5N6O3	train	15
C26H27FN10	train	12
C26H27FN2O2	train	8
C26H27FN4O2	train	8
C26H27FN4O4	train	5
C26H27FN4O5S	train	13
C26H27N2O3+	train	7
C26H27N3O	train	5
C26H27N3O2	train	19
C26H27N3O4S	train	6
C26H27N3O5S	train	37
C26H27N5O	train	18
C26H27N5O2	train	149
C26H27N5O3	train	8
C26H27N5O4	train	18
C26H27N5OS	train	17
C26H27N7O2	train	8
C26H27NO5	train	8
C26H27NO6	train	11
C26H27NO7	train	16
C26H27NO9	train	18
C26H28ClN3O3S	train	9
C26H28F3N3O2	train	21
C26H28F3N3O4	train	16
C26H28F3N5O4	train	9
C26H28FN3O4	train	16
C26H28FN5O	train	8
C26H28FN5O2	train	8
C26H28FN5O4	train	5

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