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
C19H14N2O4	train	13
C19H14N2O6	train	16
C19H14N4O	train	67
C19H14N4O4S	train	10
C19H14N4O6	train	16
C19H14N6O	train	13
C19H14N6O2S	train	10
C19H14N8OS	train	13
C19H14NO4+	train	17
C19H14O4	train	14
C19H14O6	train	23
C19H14O7	train	10
C19H14O9	train	8
C19H15Br2N3O3	train	5
C19H15BrN2O2	train	5
C19H15BrN2O4	train	5
C19H15BrN4O	train	5
C19H15BrN4O2	train	5
C19H15Cl2N3O2	train	13
C19H15Cl2N3O4S	train	10
C19H15Cl2NO4S	train	8
C19H15ClF2N4OS	train	23
C19H15ClFN3O3	train	8
C19H15ClFN3O3S	train	24
C19H15ClFNO2S	train	8
C19H15ClN2O3	train	5
C19H15ClN2O3S	train	8
C19H15ClN2O4	train	45
C19H15ClN2O4S2	train	13
C19H15ClN4O	train	18
C19H15ClN4O2	train	19
C19H15ClN4O3	train	5
C19H15ClN4O3S2	train	13
C19H15F2NO3	train	8
C19H15F3N4O2	train	28
C19H15F3N4O3	train	50
C19H15F4N3O3S	train	16
C19H15FN2O2S	train	5
C19H15FN2O4	train	13
C19H15FN4O2	train	24
C19H15FN4O3S	train	5
C19H15N3O	train	74
C19H15N3O2	train	124
C19H15N3O3	train	17
C19H15N3O3S2	train	14
C19H15N3O4	train	13
C19H15N3O5	train	5
C19H15N3O6S	train	10
C19H15N3OS	train	75
C19H15N3S	train	22
C19H15N4+	train	8
C19H15N5O	train	82
C19H15N5O2	train	65
C19H15N5O3	train	13
C19H15N5O3S	train	16
C19H15N5OS	train	13
C19H15N7S	train	10
C19H15NO2	train	8
C19H15NO3S	train	21
C19H15NO4S	train	5
C19H15NO6	train	16
C19H15NOS	train	8
C19H16BrFN6O2	train	16
C19H16BrN3O2	train	26
C19H16BrN3O2S	train	17
C19H16BrN3O3S	train	10
C19H16BrN5O3S	train	10
C19H16BrN5OS	train	5
C19H16BrNO2	train	8
C19H16BrNO4S	train	5
C19H16Cl2N2O3S	train	32
C19H16Cl2N4OS	train	5
C19H16Cl2O5	train	8
C19H16ClFN2O	train	8
C19H16ClFN2O3S	train	5
C19H16ClN3O	train	21
C19H16ClN3O3	train	8
C19H16ClN3O3S	train	14
C19H16ClN3O5	train	5
C19H16ClN3OS	train	15
C19H16ClN5	train	21
C19H16ClN5O2	train	2
C19H16ClN5O2S	train	13
C19H16ClN5OS	train	10
C19H16ClN5OS2	train	10
C19H16ClNO	train	7
C19H16ClNO2	train	31
C19H16ClNO3	train	57
C19H16ClNO4	train	26
C19H16ClNO4S	train	21
C19H16F2N2O	train	16
C19H16F2N2O3	train	5
C19H16F2N2O5S	train	5
C19H16F2N4O3	train	23
C19H16F2N6O2	train	26
C19H16F3N3O2	train	5
C19H16F3N3O3	train	21
C19H16F3N3O4S	train	40
C19H16F3N3OS	train	26
C19H16F4N2O4	train	16

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