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
C20H22FN3O	train	23
C20H22FN3O2S	train	24
C20H22FN3O2S2	train	17
C20H22FN3O4	train	19
C20H22FN5O	train	44
C20H22FN5O2	train	58
C20H22FN7O	train	8
C20H22FNO	train	8
C20H22FNO2	train	13
C20H22FNO3	train	8
C20H22FNO3S	train	10
C20H22FNO4	train	8
C20H22N2	train	16
C20H22N2O	train	51
C20H22N2O10	train	18
C20H22N2O2	train	331
C20H22N2O2S3	train	8
C20H22N2O3S	train	40
C20H22N2O3S2	train	12
C20H22N2O4S	train	74
C20H22N2O4S2	train	20
C20H22N2O5S	train	48
C20H22N2O6	train	28
C20H22N2O6S	train	30
C20H22N2OS	train	22
C20H22N2S	train	42
C20H22N4	train	63
C20H22N4O10S	train	18
C20H22N4O2	train	154
C20H22N4O2S	train	13
C20H22N4O3	train	112
C20H22N4O3S	train	56
C20H22N4O3S2	train	8
C20H22N4O4S2	train	21
C20H22N4O5	train	47
C20H22N4O5S	train	29
C20H22N4O6S2	train	10
C20H22N4OS2	train	16
C20H22N6	train	59
C20H22N6O	train	16
C20H22N6O2	train	139
C20H22N6O4	train	27
C20H22N8O2S	train	5
C20H22N8O5	train	61
C20H22O10	train	5
C20H22O3	train	17
C20H22O4	train	13
C20H22O5	train	5
C20H22O6	train	83
C20H22O7	train	26
C20H22O8	train	73
C20H22O9	train	97
C20H23BCl2N2O9	train	5
C20H23BrN2O3	train	13
C20H23BrN2OS	train	10
C20H23BrN4O2	train	10
C20H23BrN4O3	train	8
C20H23BrN8O	train	10
C20H23Cl2N5O2S2	train	15
C20H23ClFN3O3S	train	26
C20H23ClFNO	train	5
C20H23ClN2O	train	13
C20H23ClN2O2	train	10
C20H23ClN2O2S	train	8
C20H23ClN2O4S	train	18
C20H23ClN2O5S	train	23
C20H23ClN4O	train	25
C20H23ClN4O2S2	train	20
C20H23ClN4O4S	train	10
C20H23ClN6O2S	train	5
C20H23ClN6O4	train	16
C20H23ClO5S	train	9
C20H23F2NO	train	8
C20H23F2NO4	train	5
C20H23F3N2O2	train	8
C20H23F3N4O2	train	10
C20H23F3N4O2S	train	19
C20H23F3N4O3S	train	5
C20H23F3N4OS	train	11
C20H23F3N4S	train	8
C20H23F3N6	train	8
C20H23F3N6O	train	8
C20H23F6N7O3	train	13
C20H23FN2O2	train	41
C20H23FN2O3S	train	46
C20H23FN2O5S	train	5
C20H23FN4	train	8
C20H23FN4O2	train	42
C20H23FN4O2S	train	8
C20H23FN4O3	train	26
C20H23FN4O4	train	24
C20H23FN6	train	8
C20H23FN6O3S	train	13
C20H23N2O+	train	8
C20H23N3	train	8
C20H23N3O	train	158
C20H23N3O2	train	292
C20H23N3O2S	train	18
C20H23N3O2S3	train	8
C20H23N3O3	train	107

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