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
C17H23ClN4O	train	47
C17H23ClN4O2	train	5
C17H23ClN4O3S2	train	29
C17H23ClN6O3	train	8
C17H23ClO4	train	5
C17H23F3N2O	train	7
C17H23F3N2O2	train	9
C17H23F3N2O4S2	train	39
C17H23F3N4O2	train	18
C17H23F3N6O3S	train	13
C17H23FN2O	train	8
C17H23FN2O2	train	36
C17H23FN2O2S	train	13
C17H23FN2O3	train	16
C17H23FN2O3S	train	8
C17H23FN2O4	train	10
C17H23FN2OS2	train	13
C17H23FN4O	train	18
C17H23FN4O2	train	18
C17H23FN4O3	train	8
C17H23FN6	train	13
C17H23FN6O	train	16
C17H23N3O2S	train	154
C17H23N3O2S2	train	37
C17H23N3O3	train	350
C17H23N3O3S	train	189
C17H23N3O3S2	train	12
C17H23N3O4S	train	76
C17H23N3O4S2	train	5
C17H23N3O5S	train	41
C17H23N3O5S2	train	5
C17H23N3O6	train	23
C17H23N3O6S	train	5
C17H23N3O7S	train	16
C17H23N3OS	train	116
C17H23N3OS2	train	23
C17H23N3S	train	34
C17H23N5O	train	193
C17H23N5O2	train	276
C17H23N5O2S2	train	23
C17H23N5O3	train	167
C17H23N5O3S	train	31
C17H23N5O4	train	37
C17H23N5O4S2	train	5
C17H23N7	train	13
C17H23N7O	train	24
C17H23NO	train	14
C17H23NO2	train	39
C17H23NO2S	train	8
C17H23NO2SSi	train	5
C17H23NO3	train	137
C17H23NO3S	train	50
C17H23NO3S2	train	5
C17H23NO4	train	143
C17H23NO5S	train	23
C17H23NO7	train	33
C17H24BF3N2O4	train	21
C17H24BrN3O2	train	5
C17H24BrNO	train	8
C17H24ClN3O2	train	41
C17H24ClN5O	train	9
C17H24ClN5O2	train	10
C17H24ClNO3	train	5
C17H24F2N2O	train	13
C17H24F2N2O2	train	13
C17H24F2N4O	train	12
C17H24F3N3O3	train	8
C17H24F3NO5S	train	10
C17H24FN3O	train	16
C17H24FN3O3	train	72
C17H24FN5O2	train	5
C17H24FNO3S	train	8
C17H24N2O2S	train	107
C17H24N2O3	train	208
C17H24N2O3S	train	175
C17H24N2O3S2	train	13
C17H24N2O4	train	149
C17H24N2O4S	train	29
C17H24N2O5	train	48
C17H24N2O5S	train	52
C17H24N2O6S	train	16
C17H24N4O	train	139
C17H24N4O2S2	train	24
C17H24N4O3	train	82
C17H24N4O4	train	26
C17H24N4OS	train	50
C17H24N4OS2	train	17
C17H24N4S	train	8
C17H24N6O	train	96
C17H24N6O2	train	79
C17H24N6O3S2	train	13
C17H24N6O4	train	15
C17H24N6S	train	16
C17H24O10	train	99
C17H24O11	train	139
C17H24O12	train	17
C17H24O3	train	8
C17H24O4	train	5
C17H24O5	train	13
C17H24O6	train	13

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