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
C38H50O6	train	10
C38H52N6O7	train	43
C38H53NO11	train	8
C38H54ClN3O10S	train	20
C38H54O13	train	16
C38H54O19	train	5
C38H54O24	train	19
C38H56N6O9	train	13
C38H56O13	train	21
C38H56O23	train	26
C38H58O12	train	11
C38H58O13	train	19
C38H58O14	train	32
C38H60O13	train	10
C38H60O17	train	14
C38H60O18	train	40
C38H61NO9	train	34
C38H62O10	train	16
C38H62O12	train	31
C38H63N7O8	train	14
C38H63N9O9	train	15
C38H63NO10	train	16
C38H65NO14	train	23
C38H66O17	train	33
C38H68N10O14	train	8
C38H69NO13	train	16
C39H37F6N3O2	train	33
C39H37N3O3	train	4
C39H38O12	train	12
C39H39ClN8O6S	train	9
C39H40O17	train	16
C39H44N2O7	train	8
C39H44O16	train	13
C39H44O18	train	23
C39H46N4O3	train	23
C39H48FN9O4	train	17
C39H48N4O4	train	8
C39H48O18	train	21
C39H50O19	train	11
C39H50O20	train	35
C39H50O24	train	10
C39H50O25	train	9
C39H51N5O8S	train	14
C39H52N4O6	train	29
C39H52O23	train	10
C39H52O25	train	17
C39H60N10O8	train	9
C39H60N12O11	train	8
C39H62N10O15	train	10
C39H62N6O6S	train	50
C39H62O12	train	53
C39H62O13	train	4
C39H62O15	train	9
C39H62O16	train	14
C39H63NO11	train	30
C39H63NO12	train	11
C39H64N4O16	train	16
C39H65NO10	train	16
C39H66O14	train	11
C39H67N5O7	train	22
C39H68N4O15	train	27
C3H11NO7P2	train	10
C3H5NO4	train	4
C3H6BrNO4	train	17
C3H6ClNO2	train	4
C3H6N6	train	5
C3H6O5S	train	3
C3H7N3O2	train	5
C3H7NO5S	train	8
C3H8NO6P	train	13
C3H8O6S2	train	16
C3H9NO3S	train	5
C40H36O11	train	16
C40H36O12	train	16
C40H37N5O	train	10
C40H38F5N3O3S	train	16
C40H40O22	train	9
C40H43N3O6	train	9
C40H43N7O7S	train	32
C40H44O17	train	5
C40H44O22	train	16
C40H47NO9	train	20
C40H48O21	train	14
C40H49N7O7	train	19
C40H50N8O10	train	22
C40H52F4N6O9S	train	18
C40H52O24	train	12
C40H53N7O5S2	train	36
C40H56O22	train	13
C40H56O23	train	14
C40H58N8O8	train	12
C40H61N11O9	train	9
C40H62O14	train	21
C40H62O15	train	55
C40H62O16	train	8
C40H66N4O16	train	24
C40H70O19	train	21
C40H71NO14	train	35
C40H74O20	train	21
C40H76N2O12	train	25

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