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
C22H30N4O2	train	23
C22H30N4O2S	train	8
C22H30N4O3	train	65
C22H30N4O3S	train	74
C22H30N4O4	train	8
C22H30N4O4S	train	22
C22H30N4O4S2	train	5
C22H30N4O5	train	12
C22H30N4O5S	train	25
C22H30N4O6	train	21
C22H30N6O	train	13
C22H30N6O3	train	8
C22H30N6O4S	train	60
C22H30N6OS	train	26
C22H30O11	train	10
C22H30O14	train	51
C22H30O4	train	51
C22H30O5	train	62
C22H30O7	train	23
C22H30O8	train	20
C22H31F3N4O	train	8
C22H31N3O	train	8
C22H31N3O2	train	13
C22H31N3O2S	train	29
C22H31N3O3	train	55
C22H31N3O4	train	13
C22H31N3O6S2	train	42
C22H31N5O	train	8
C22H31N5O2	train	54
C22H31N5O2S	train	5
C22H31N5O5	train	28
C22H31N7O	train	8
C22H31N9O	train	15
C22H31NO	train	48
C22H31NO3	train	55
C22H31NO4	train	8
C22H32Cl2N2O4	train	13
C22H32F4N2O2	train	16
C22H32N2O2	train	17
C22H32N4O2	train	16
C22H32N4O3	train	13
C22H32N4O3S	train	32
C22H32N4O5S	train	32
C22H32N6O	train	15
C22H32N6O3	train	8
C22H32NO5+	train	8
C22H32O11	train	15
C22H32O3	train	39
C22H32O4	train	45
C22H32O5	train	18
C22H32O6	train	36
C22H32O7	train	10
C22H32O8	train	10
C22H33ClO8	train	5
C22H33N2O2+	train	8
C22H33N3O2	train	20
C22H33N3O2S	train	16
C22H33N3O4	train	40
C22H33N3O5	train	21
C22H33N5O2	train	12
C22H33N5O3	train	8
C22H33N5O4S2	train	8
C22H33N7O	train	8
C22H33NO2	train	8
C22H33NO3	train	7
C22H33NO4	train	10
C22H33NO5	train	49
C22H33NO6	train	46
C22H34N2O3S	train	26
C22H34N4O2	train	37
C22H34N4O4	train	13
C22H34N4O5	train	25
C22H34N4O5S	train	21
C22H34N6O	train	16
C22H34O10	train	5
C22H34O12	train	18
C22H34O14	train	21
C22H34O4	train	7
C22H34O5	train	70
C22H34O7	train	46
C22H35FN2O2	train	8
C22H35N3O	train	8
C22H35N3O2	train	18
C22H35N3O3	train	18
C22H35N3O3S	train	12
C22H35N3O4S	train	8
C22H35N5O	train	8
C22H35N5O2	train	13
C22H35N7O	train	16
C22H35NO4	train	6
C22H36N2O3	train	8
C22H36N2O4	train	16
C22H36N2O5S	train	41
C22H36N6O2	train	14
C22H36N6O2S	train	8
C22H36O12	train	16
C22H36O4	train	5
C22H36O5	train	36
C22H36O7	train	15
C22H37BrN4OSi	train	5

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