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
C15H22F3N3O2S	train	14
C15H22FN3O2S	train	8
C15H22FN3O3	train	8
C15H22FN3O6	train	23
C15H22N2	train	34
C15H22N2O	train	66
C15H22N2O2	train	118
C15H22N2O3	train	123
C15H22N2O3S	train	175
C15H22N2O4	train	60
C15H22N2O4S	train	204
C15H22N2O5	train	45
C15H22N2O6	train	18
C15H22N2O6S2	train	23
C15H22N2O8S2	train	10
C15H22N2OS	train	10
C15H22N4O	train	64
C15H22N4O2	train	110
C15H22N4O2S	train	19
C15H22N4O3	train	91
C15H22N4O3S	train	65
C15H22N4O4	train	33
C15H22N4O4S	train	15
C15H22N4OS2	train	8
C15H22N6	train	26
C15H22N6O	train	213
C15H22N6OS	train	31
C15H22N6S	train	8
C15H22O	train	29
C15H22O10	train	8
C15H22O2	train	22
C15H22O3	train	88
C15H22O4	train	154
C15H22O5	train	82
C15H22O6	train	21
C15H22O8	train	10
C15H23BrN2O	train	13
C15H23BrN2O2	train	8
C15H23BrN4O2S	train	5
C15H23ClN2O3S	train	6
C15H23ClN4O	train	18
C15H23ClN4O2	train	5
C15H23ClN4O3S	train	49
C15H23F2N3O3	train	23
C15H23F3N4O	train	16
C15H23FN2O2S	train	8
C15H23FN2O4S	train	13
C15H23FN4O3	train	13
C15H23N3O	train	53
C15H23N3O2	train	159
C15H23N3O3	train	84
C15H23N3O3S	train	94
C15H23N3O4	train	55
C15H23N3O4S	train	158
C15H23N3OS	train	16
C15H23N3OS2	train	63
C15H23N5O	train	24
C15H23N5O2	train	137
C15H23N5O3	train	33
C15H23N5S	train	44
C15H23N5S2	train	19
C15H23N6O5S+	train	26
C15H23N7O3	train	5
C15H23N7OS	train	13
C15H23N7S	train	20
C15H23NO2	train	26
C15H23NO2S	train	6
C15H23NO3	train	83
C15H23NO3S	train	5
C15H23NO4	train	33
C15H23NO4S	train	27
C15H23NO4S2	train	15
C15H23NO5	train	15
C15H23NO5S	train	35
C15H23NO6S	train	8
C15H24F2N2O2	train	28
C15H24F3N3O2	train	8
C15H24N2O	train	57
C15H24N2O2	train	46
C15H24N2O2S	train	8
C15H24N2O2S2	train	8
C15H24N2O3S	train	35
C15H24N2O3S2	train	24
C15H24N2O4	train	10
C15H24N2O4S	train	34
C15H24N2O5	train	10
C15H24N2O5S	train	13
C15H24N4O	train	44
C15H24N4O2	train	98
C15H24N4O2S	train	83
C15H24N4O3S	train	48
C15H24N4O6S2	train	15
C15H24N4OS	train	28
C15H24N6O	train	24
C15H24N6O2	train	28
C15H24O10	train	33
C15H24O2	train	10
C15H24O3	train	45
C15H24O4	train	64
C15H24O5	train	23

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