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
C24H31N3O2S	train	6
C24H31N3O3	train	36
C24H31N3O5	train	32
C24H31N5O2	train	18
C24H31N5O3	train	21
C24H31N7O	train	15
C24H31NO	train	11
C24H31NO3	train	8
C24H31NO3S	train	5
C24H31NO4	train	16
C24H31NO6	train	37
C24H32ClN3O3S	train	15
C24H32ClN5O	train	8
C24H32ClN5O2	train	14
C24H32N2O2	train	32
C24H32N2O3S	train	8
C24H32N2O4	train	19
C24H32N2O9	train	9
C24H32N4O2	train	13
C24H32N6O3	train	25
C24H32N6O5	train	59
C24H32O4	train	18
C24H32O6	train	121
C24H32O7	train	96
C24H32O8	train	23
C24H33Cl2NO5	train	59
C24H33ClN4O6	train	10
C24H33FO6	train	8
C24H33N3O2	train	35
C24H33N3O3S	train	8
C24H33N3O4	train	48
C24H33N5O2	train	15
C24H33N5O3	train	8
C24H33N5O4	train	29
C24H33N5OS	train	5
C24H33NO3	train	21
C24H33NO4	train	5
C24H33NO4S	train	5
C24H34BrN5O7S	train	5
C24H34F3N3O3	train	13
C24H34FN7O2	train	17
C24H34N2O	train	32
C24H34N2O3	train	8
C24H34N2O5	train	29
C24H34N4O3S	train	13
C24H34N4O5S	train	37
C24H34N4OS	train	8
C24H34N5O4+	train	7
C24H34N6O2	train	8
C24H34N6O5	train	23
C24H34N6S	train	4
C24H34N8O4S2	train	24
C24H34O15	train	15
C24H34O4	train	23
C24H34O5	train	68
C24H34O6	train	18
C24H34O9	train	15
C24H35N3O3	train	29
C24H35N3OS	train	8
C24H35N5O	train	5
C24H35N5O3	train	30
C24H35N5O4	train	8
C24H35N5O5	train	23
C24H35N7	train	10
C24H35NO2	train	5
C24H36ClN3O4S	train	4
C24H36N2O3S	train	8
C24H36N2O5S2	train	16
C24H36N4O2	train	13
C24H36N6O3S	train	8
C24H36N8O	train	8
C24H36O3	train	2
C24H36O5	train	44
C24H36O8	train	5
C24H37N3O	train	9
C24H37N5O3	train	12
C24H37NO4	train	5
C24H37NO5	train	15
C24H38N2+2	train	5
C24H38N2O4	train	42
C24H38N4	train	5
C24H38O11	train	31
C24H38O12	train	5
C24H38O3	train	13
C24H38O5	train	44
C24H38O6	train	5
C24H39NO5	train	6
C24H39NO7	train	10
C24H40O11	train	22
C24H40O3	train	5
C24H40O4	train	149
C24H40O5	train	140
C24H41NO2	train	8
C24H41NO3	train	8
C24H42N4O3	train	22
C24H42O11	train	9
C24H42O12	train	8
C24H42O21	train	74
C24H42O7P2	train	17
C24H43NO3	train	13

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