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
C25H37FN8O2	train	18
C25H37N3O2	train	8
C25H37N3O3	train	13
C25H37N3O4	train	19
C25H37N5O6	train	23
C25H37NO	train	8
C25H37NO3	train	16
C25H37NO4	train	113
C25H38N2O3	train	18
C25H38N4O3	train	8
C25H38O12	train	8
C25H38O4	train	5
C25H38O5	train	13
C25H39N3O6S	train	15
C25H39N3O8	train	34
C25H39NO	train	8
C25H39NO3	train	10
C25H39NO5	train	10
C25H39NO6	train	13
C25H39NO7	train	4
C25H40N6O	train	5
C25H40N8O2	train	13
C25H40O6	train	20
C25H41FO6S	train	6
C25H41NO2	train	8
C25H41NO7	train	6
C25H41NO9	train	9
C25H42O21	train	13
C25H42O5	train	16
C25H42O7	train	8
C25H43NO18	train	53
C25H44N14O7	train	2
C25H44N6O9	train	22
C25H44O6S	train	12
C25H45N5O10	train	13
C25H46N+	train	16
C25H47N5O6S	train	10
C25H48N6O8	train	34
C25H50NO4+	train	8
C25H53NO4P+	train	8
C26H17ClF9N3O3	train	37
C26H18F2N2O	train	9
C26H19ClN8	train	10
C26H19F3N4O	train	5
C26H19F4N5O2	train	26
C26H19FN2O5	train	21
C26H20ClF3N2O4	train	78
C26H20F2N2O4	train	5
C26H20F3N7O	train	42
C26H20N2O	train	5
C26H20N4O5	train	7
C26H20N6O	train	10
C26H20O10	train	10
C26H21F2N5O2S	train	14
C26H21F2N5O3	train	21
C26H21F3N4O4	train	16
C26H21F3O3	train	5
C26H21FN2O3	train	5
C26H21FN4O	train	18
C26H21FN6O	train	9
C26H21N3O2S	train	21
C26H21N3O3	train	23
C26H21N5O2	train	5
C26H21N5O3	train	4
C26H21N5O4S	train	24
C26H21NO5	train	5
C26H21NO6	train	13
C26H22BrN5O2	train	10
C26H22Cl2N4O3	train	13
C26H22F2N6O4S	train	5
C26H22FN7O3	train	31
C26H22FNO3	train	10
C26H22N2O2	train	5
C26H22N2O3	train	18
C26H22N2O4	train	8
C26H22N2O6	train	13
C26H22N4O2	train	29
C26H22N4O3	train	26
C26H22N6O2	train	16
C26H22O10	train	5
C26H23BrFN7O3	train	12
C26H23ClN6O2	train	8
C26H23F2N3O4	train	15
C26H23F4N9O	train	35
C26H23FIN5O4	train	64
C26H23FN8O	train	18
C26H23N3O3	train	13
C26H23N3O4S	train	4
C26H23N5O2	train	18
C26H23N7O2	train	13
C26H23NO2	train	10
C26H23NO3	train	5
C26H23NO4	train	5
C26H23NO5	train	5
C26H24Cl2N6O4	train	8
C26H24ClN3O3	train	16
C26H24ClN7O	train	5
C26H24ClNO3	train	10
C26H24ClNO5	train	10
C26H24F3N3O3	train	4

Subsets and Splits

No community queries yet

The top public SQL queries from the community will appear here once available.