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
C14H19N3O3	train	105
C14H19N3O3S	train	104
C14H19N3O3S2	train	40
C14H19N3O4S	train	65
C14H19N3OS2	train	11
C14H19N4+	train	5
C14H19N5	train	22
C14H19N5O	train	70
C14H19N5O2S	train	181
C14H19N5O3	train	52
C14H19N5O3S	train	51
C14H19N5O4	train	34
C14H19N5O4S	train	29
C14H19N5OS	train	104
C14H19N5OS2	train	10
C14H19N7	train	16
C14H19N7O	train	45
C14H19N7O9S	train	8
C14H19N9	train	11
C14H19NO	train	10
C14H19NO2	train	37
C14H19NO3	train	23
C14H19NO3S	train	15
C14H19NO4	train	137
C14H19NO4S	train	41
C14H19NO4S2	train	5
C14H19NO5S	train	77
C14H19NO5S2	train	10
C14H19NO6	train	10
C14H19NO6S	train	87
C14H19NO7S	train	8
C14H19NO9S2	train	8
C14H19NOS	train	8
C14H20BrN3O2	train	41
C14H20BrN3OS	train	5
C14H20BrNO2	train	8
C14H20BrNO2S	train	8
C14H20Cl2N2O2	train	8
C14H20ClN3O2S	train	5
C14H20ClN3O3	train	8
C14H20ClN3O3S	train	23
C14H20F2N4O2	train	13
C14H20F2N4O2S	train	26
C14H20F3N3	train	8
C14H20F3N3O	train	8
C14H20F3N5O2	train	8
C14H20F6N2O2	train	19
C14H20FN3O2S	train	16
C14H20FN3O3S	train	16
C14H20FNO4S2	train	5
C14H20FNO5S	train	12
C14H20N2	train	21
C14H20N2O2S	train	21
C14H20N2O3S	train	106
C14H20N2O3S2	train	42
C14H20N2O4S	train	141
C14H20N2O4S2	train	19
C14H20N2O5S	train	29
C14H20N2O5S2	train	15
C14H20N2OS	train	8
C14H20N4O	train	31
C14H20N4O2	train	60
C14H20N4O2S	train	97
C14H20N4O3	train	81
C14H20N4O3S	train	36
C14H20N4O4	train	42
C14H20N4O4S	train	8
C14H20N4O6S2	train	22
C14H20N4OS	train	29
C14H20N6O	train	58
C14H20N6O2	train	63
C14H20N6O2S	train	58
C14H20N6O4S	train	8
C14H20N6O5S	train	32
C14H20N6OS	train	26
C14H20N6OS2	train	8
C14H20N6S2	train	19
C14H20N8	train	5
C14H20O7	train	20
C14H20O8	train	30
C14H21BrN2O3S	train	13
C14H21BrN4O	train	16
C14H21ClN2O2S	train	23
C14H21ClN2O2S2	train	8
C14H21ClN4O	train	5
C14H21ClN4O2	train	29
C14H21F2N3O2	train	8
C14H21F2N3OS	train	8
C14H21F2N5O2	train	17
C14H21F2NO3	train	14
C14H21F3N4O	train	8
C14H21F3N4O2	train	55
C14H21F6N5O	train	8
C14H21FN4O2S	train	28
C14H21FN4O3	train	23
C14H21IN6O2	train	8
C14H21N3O	train	8
C14H21N3O2	train	101
C14H21N3O3	train	85
C14H21N3O3S	train	155

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