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
C23H32O7	train	53
C23H32O9	train	28
C23H33N2O+	train	13
C23H33N3O	train	8
C23H33N3O2	train	16
C23H33N3O3	train	13
C23H33N3O3S	train	8
C23H33N3O4	train	9
C23H33N3O5S	train	21
C23H33N5O	train	26
C23H33N5O2	train	35
C23H33N5O3S	train	19
C23H33N5O5S	train	15
C23H33N7O2	train	5
C23H33NO	train	6
C23H34ClN	train	8
C23H34N2O3	train	13
C23H34N3O10P	train	13
C23H34N4O	train	5
C23H34N4O2	train	30
C23H34N4O2S	train	8
C23H34N4O3	train	16
C23H34N6O2S2	train	8
C23H34O15	train	27
C23H34O16	train	10
C23H34O4	train	10
C23H34O6	train	14
C23H34O8	train	5
C23H35N3O2	train	19
C23H35N3O3S	train	15
C23H35N5O	train	5
C23H35N5O2	train	5
C23H35N5O4S	train	8
C23H35NO	train	7
C23H35NO2S	train	5
C23H36N2O2	train	12
C23H36N2O4	train	36
C23H36N6O4	train	10
C23H36N6O5S	train	37
C23H36N6S	train	20
C23H36O13	train	16
C23H36O6	train	13
C23H36O7	train	21
C23H37N5O4S2	train	38
C23H37NO6	train	5
C23H38N4O2	train	10
C23H38N6O	train	6
C23H38O17	train	14
C23H39N5O5S2	train	18
C23H39NO19	train	17
C23H40N2O3	train	16
C23H40N6O	train	18
C23H40O5	train	16
C23H40O6	train	38
C23H42O12	train	59
C23H45N3O5	train	13
C23H45N5O14	train	5
C23H46NO4+	train	24
C23H46NO7P	train	10
C24H12F6N4O2	train	18
C24H14O5	train	11
C24H15ClN6O3S	train	5
C24H15F2N3	train	12
C24H15F3N4O	train	5
C24H15FN4O4S	train	5
C24H16BrFN2O4	train	10
C24H16Cl2F2N6O	train	15
C24H16ClNO4	train	5
C24H16F3NO4	train	8
C24H16F4N6O2	train	18
C24H16F6N6O	train	14
C24H16FN3O5S	train	5
C24H16FN5O	train	8
C24H16N2	train	8
C24H16N4S	train	8
C24H16N6	train	10
C24H16O5	train	9
C24H17BrCl2FN3O5S	train	12
C24H17ClF2N2O2	train	14
C24H17ClF2N6O4	train	12
C24H17N3O2	train	8
C24H17N3O3	train	13
C24H17N3O5	train	4
C24H17N3O6	train	13
C24H17N5O3	train	13
C24H18ClF2N4O7P	train	13
C24H18ClFN4O2	train	15
C24H18ClN3O3	train	10
C24H18ClN5O4	train	1
C24H18F2N2O5	train	43
C24H18F3N3O3S2	train	16
C24H18FN3O2	train	13
C24H18FN5O2	train	22
C24H18N2O3	train	23
C24H18N2O3S	train	6
C24H18N2O4S	train	1
C24H18N4O	train	5
C24H18N6O	train	20
C24H18N6OS	train	8
C24H18O7	train	8

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