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
C14H12F3N3O3	train	27
C14H12F3N3O5	train	30
C14H12F3N3S	train	6
C14H12F3N5	train	49
C14H12F3N5O	train	23
C14H12F3N7	train	8
C14H12F3NO2S	train	48
C14H12F7N5S	train	10
C14H12FN3O2S	train	48
C14H12FN5	train	6
C14H12FN5O2	train	39
C14H12FN5OS	train	45
C14H12FNO3S2	train	5
C14H12FNO5S	train	5
C14H12IN3	train	6
C14H12IN3O2	train	5
C14H12N2	train	23
C14H12N2O2S	train	26
C14H12N2O2S2	train	31
C14H12N2O3S	train	13
C14H12N2O3S2	train	21
C14H12N2O4S2	train	16
C14H12N2O5	train	10
C14H12N4O	train	21
C14H12N4O2	train	43
C14H12N4O3	train	18
C14H12N4O3S	train	26
C14H12N4O3S2	train	13
C14H12N4O4	train	5
C14H12N4S2	train	20
C14H12N6O2	train	29
C14H12N6O3	train	28
C14H12N6OS	train	28
C14H12O2	train	5
C14H12O3	train	46
C14H12O3S	train	5
C14H12O4	train	52
C14H12O5	train	12
C14H12O6	train	5
C14H12O6S	train	6
C14H13BrClNO7	train	5
C14H13BrFN3O3S2	train	22
C14H13BrN2O	train	45
C14H13BrN2O2	train	5
C14H13BrN2O3	train	5
C14H13BrN2O4	train	5
C14H13BrN2O4S	train	19
C14H13BrN4O	train	24
C14H13BrN4O3S	train	10
C14H13BrN6O2S	train	10
C14H13Cl2N	train	5
C14H13Cl2N3O	train	39
C14H13Cl2N3O3	train	9
C14H13Cl2N3S	train	21
C14H13Cl2NO2S	train	5
C14H13Cl2NOS	train	5
C14H13ClF3N3	train	6
C14H13ClF3N3O	train	13
C14H13ClF6N6	train	8
C14H13ClFN3O2	train	5
C14H13ClFN3O2S	train	17
C14H13ClFN5O	train	8
C14H13ClFNO2S	train	15
C14H13ClN2O2S	train	38
C14H13ClN2O3	train	16
C14H13ClN2O3S	train	57
C14H13ClN2O4	train	5
C14H13ClN2O4S	train	39
C14H13ClN2O5S	train	5
C14H13ClN2OS2	train	43
C14H13ClN4O	train	5
C14H13ClN4O2	train	28
C14H13ClN4O2S	train	42
C14H13ClN4O4	train	13
C14H13ClN4OS	train	13
C14H13ClN4S	train	13
C14H13ClN6	train	14
C14H13ClN6O	train	18
C14H13ClN6S	train	5
C14H13F2N3O2S	train	40
C14H13F2N3O3	train	5
C14H13F2NO5S	train	5
C14H13F3N2O2S	train	35
C14H13F3N2O4	train	23
C14H13F3N2OS	train	8
C14H13F3N4OS	train	25
C14H13F3N6	train	36
C14H13F3N6O	train	26
C14H13FIN3O2	train	13
C14H13FN2O2	train	19
C14H13FN2O4	train	15
C14H13FN2O4S	train	21
C14H13FN2O5S	train	13
C14H13FN4OS	train	26
C14H13FN6S	train	11
C14H13N2O+	train	8
C14H13N3	train	23
C14H13N3O2S	train	18
C14H13N3O2S2	train	45
C14H13N3O3	train	5

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