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
C32H36F3NO4	train	13
C32H36N10O2	train	19
C32H36N2O3	train	13
C32H36N2O5	train	44
C32H36N4O3	train	13
C32H36N6O4	train	4
C32H36N6O5	train	8
C32H36N8O2	train	5
C32H36O13	train	18
C32H36O15	train	8
C32H37N5O3	train	5
C32H37N7O3	train	5
C32H37N7O5	train	10
C32H38ClN3O2	train	6
C32H38N2O6	train	8
C32H38N2O8	train	35
C32H38O13	train	18
C32H38O15	train	27
C32H38O17	train	10
C32H38O19	train	37
C32H38O20	train	10
C32H38O21	train	15
C32H39N7O4	train	19
C32H39NO15	train	18
C32H39NO2	train	16
C32H39NO4	train	32
C32H40N2O5S	train	8
C32H40N2O8S	train	10
C32H40N4O5S	train	12
C32H40O17	train	37
C32H40O18	train	39
C32H40O19	train	29
C32H40O7	train	5
C32H40O8	train	8
C32H41N3O7	train	10
C32H41N5O4S2	train	14
C32H41N5O5S2	train	9
C32H41NO11	train	13
C32H41NO2	train	13
C32H42N4O4	train	20
C32H42N6O3	train	29
C32H42O14	train	21
C32H42O16	train	57
C32H42O17	train	34
C32H42O9	train	21
C32H43Cl2N5O3	train	5
C32H43ClN2O9	train	13
C32H43N5O2	train	5
C32H43N5O4	train	10
C32H43N9O10	train	16
C32H43NO4	train	5
C32H44N2O9	train	16
C32H44O10	train	5
C32H44O12	train	5
C32H44O14	train	15
C32H44O16	train	10
C32H44O19	train	12
C32H44O7	train	38
C32H44O8	train	17
C32H45N3O2	train	7
C32H45N3O3	train	5
C32H45N3O4S	train	81
C32H45NO10	train	4
C32H45NO7	train	8
C32H46N8O6S2	train	36
C32H46O10	train	18
C32H46O11	train	12
C32H46O8	train	8
C32H47F5O3S	train	30
C32H47N5O5S	train	21
C32H48N4O8	train	13
C32H48O10	train	21
C32H48O5	train	9
C32H48O6	train	16
C32H48O9	train	24
C32H50O13	train	34
C32H50O5	train	45
C32H50O6	train	30
C32H50O8	train	45
C32H50O9	train	7
C32H52O14	train	14
C32H52O6	train	21
C32H53N2O4+	train	12
C32H53N9O7S	train	4
C32H54O15	train	33
C32H55N9O10	train	4
C32H56O13	train	8
C32H56O15	train	34
C32H59N2O7S+	train	6
C32H68N6O2	train	12
C33H23NO3	train	13
C33H24O10	train	12
C33H24O13	train	20
C33H25F6N3O3	train	16
C33H27NO8	train	29
C33H29F2N5O4S	train	26
C33H30ClN3O5	train	16
C33H30ClN5O3	train	5
C33H30N4O2	train	20
C33H31Cl2F3N6O3S2	train	12

Subsets and Splits

No community queries yet

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