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
C15H10F6N2O3	train	13
C15H10F6N4O3	train	8
C15H10FN5OS	train	5
C15H10FN5S	train	5
C15H10FNO3	train	10
C15H10N2O2	train	38
C15H10N2O3	train	8
C15H10N2O4S	train	5
C15H10N2O4S2	train	5
C15H10N2O4S3	train	5
C15H10N4O2S2	train	8
C15H10N4O4	train	5
C15H10N6O	train	10
C15H10N8S	train	5
C15H10O2	train	6
C15H10O3	train	28
C15H10O4	train	216
C15H10O5	train	203
C15H10O6	train	106
C15H10O7	train	59
C15H10O8	train	5
C15H11BrFN3O2	train	19
C15H11BrN2O	train	17
C15H11BrN2O2	train	54
C15H11BrN2OS	train	29
C15H11BrN4OS2	train	5
C15H11BrN4S	train	10
C15H11Cl2FN2O	train	13
C15H11Cl2N3	train	17
C15H11Cl2N3O	train	5
C15H11Cl2N5O	train	8
C15H11Cl2NO3	train	25
C15H11Cl2NO4	train	13
C15H11ClF3N3	train	22
C15H11ClF3NO3S	train	10
C15H11ClFN3O	train	13
C15H11ClFN3O2	train	13
C15H11ClFN3OS	train	5
C15H11ClFN5	train	8
C15H11ClFN5O3S2	train	10
C15H11ClN2O2S	train	100
C15H11ClN2O3	train	21
C15H11ClN2OS	train	85
C15H11ClN2OS2	train	18
C15H11ClN2S	train	11
C15H11ClN4O2S	train	10
C15H11ClN4OS	train	10
C15H11ClO3S	train	10
C15H11F2N3	train	16
C15H11F2N3O3	train	8
C15H11F2N3O4	train	5
C15H11F2N3OS	train	8
C15H11F3N2O3	train	10
C15H11F3N2O4S	train	5
C15H11F3N4O2	train	5
C15H11F3N6O	train	5
C15H11F4N3O	train	13
C15H11FN2O2S	train	84
C15H11FN2O2S2	train	13
C15H11FN4O	train	16
C15H11FN4O2	train	10
C15H11FN4OS	train	34
C15H11FN6S	train	16
C15H11I4NO4	train	76
C15H11N3O2	train	5
C15H11N3O3S	train	5
C15H11N3O3S2	train	26
C15H11N3OS2	train	57
C15H11N5O2S	train	25
C15H11N5O3	train	10
C15H11N5OS	train	21
C15H11N5S2	train	14
C15H11NO3	train	31
C15H11O5+	train	5
C15H12BrN3O2	train	23
C15H12BrN3OS	train	5
C15H12BrN5O2	train	10
C15H12BrNO	train	5
C15H12BrNO3	train	39
C15H12BrNOS	train	13
C15H12Cl2N2O2	train	8
C15H12Cl2N2O3	train	15
C15H12Cl2N4O3S	train	8
C15H12Cl2O3S	train	5
C15H12ClF2N3	train	5
C15H12ClF2NO2	train	18
C15H12ClF3N2O3S	train	15
C15H12ClFN4O	train	5
C15H12ClFN6O	train	10
C15H12ClN3	train	9
C15H12ClN3O	train	13
C15H12ClN3O2	train	21
C15H12ClN3O3	train	48
C15H12ClN3O3S	train	28
C15H12ClN3OS	train	37
C15H12ClN3OS2	train	21
C15H12ClN3S	train	31
C15H12ClN5O	train	57
C15H12ClN5O3S	train	8
C15H12ClNO	train	8

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