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
C19H25F3N4O3	train	8
C19H25FN2O2	train	24
C19H25FN2O3	train	45
C19H25FN4O2	train	26
C19H25N3O	train	95
C19H25N3O2	train	259
C19H25N3O2S	train	32
C19H25N3O3	train	207
C19H25N3O4	train	73
C19H25N3O4S	train	15
C19H25N3O5	train	47
C19H25N3OS	train	93
C19H25N3OS2	train	8
C19H25N5	train	8
C19H25N5O	train	135
C19H25N5O2	train	82
C19H25N5O2S	train	6
C19H25N5O3	train	48
C19H25N5O3S	train	29
C19H25N5O4	train	50
C19H25N5OS2	train	21
C19H25N6O5S2+	train	15
C19H25N7O	train	16
C19H25N7O2	train	24
C19H25N7O2S	train	5
C19H25N7O3S	train	13
C19H25NO10	train	10
C19H25NO2S	train	8
C19H25NO4	train	43
C19H25NO4S	train	8
C19H25NO5	train	29
C19H25NO7	train	10
C19H25NOS	train	57
C19H26Cl2N2O	train	8
C19H26ClN3O2	train	43
C19H26ClN3O4	train	18
C19H26ClN5OS	train	10
C19H26F2N2O2	train	5
C19H26F2N4O5S	train	10
C19H26F3N3O3	train	8
C19H26FN3O	train	8
C19H26FN3O3S	train	5
C19H26FN5O	train	25
C19H26FNO5	train	5
C19H26N2O2S	train	85
C19H26N2O3	train	175
C19H26N2O3S	train	6
C19H26N2O4	train	80
C19H26N2O4S2	train	8
C19H26N2O4S3	train	5
C19H26N2O5S2	train	5
C19H26N2O6	train	5
C19H26N2O7S2	train	13
C19H26N2OS	train	19
C19H26N2OS2	train	8
C19H26N2S	train	16
C19H26N4	train	15
C19H26N4O	train	225
C19H26N4O2	train	342
C19H26N4O3	train	45
C19H26N4O3S	train	53
C19H26N4O3S2	train	8
C19H26N4O4	train	43
C19H26N4O4S2	train	8
C19H26N4OS	train	12
C19H26N6O	train	69
C19H26N6O2	train	126
C19H26N6O4	train	26
C19H26N8	train	8
C19H26N8O	train	23
C19H26N8S	train	13
C19H26O11	train	33
C19H26O12	train	66
C19H26O12S	train	10
C19H26O13	train	5
C19H26O2	train	5
C19H26O3	train	5
C19H26O3S	train	5
C19H26O8	train	5
C19H27BrN4O	train	5
C19H27Cl2N3O	train	9
C19H27ClN2	train	16
C19H27ClN2O3	train	8
C19H27ClN2O4S	train	26
C19H27ClN2O5	train	40
C19H27ClN4O3	train	18
C19H27ClO6	train	10
C19H27F2NO2	train	16
C19H27F3N4O2	train	8
C19H27FN2O2	train	13
C19H27FN4O3	train	58
C19H27N3O2	train	181
C19H27N3O3S	train	8
C19H27N3O3S2	train	5
C19H27N3O4	train	44
C19H27N3O4S	train	72
C19H27N3O5S	train	31
C19H27N3O5S2	train	32
C19H27N3O6	train	13
C19H27N3OS	train	24

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