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
C22H22FN5O2	train	23
C22H22FN5O3	train	37
C22H22FN5O4	train	15
C22H22FN5O7	train	10
C22H22FN5OS	train	8
C22H22FN7	train	8
C22H22FN7O	train	5
C22H22FNO5S2	train	8
C22H22FNO6S	train	8
C22H22N2O	train	45
C22H22N2O2	train	118
C22H22N2O3	train	5
C22H22N2O3S	train	46
C22H22N2O4	train	73
C22H22N2O4S	train	59
C22H22N2O5	train	63
C22H22N2O5S	train	34
C22H22N2O5S2	train	8
C22H22N2O6	train	10
C22H22N2O6S2	train	8
C22H22N2O8	train	26
C22H22N4	train	18
C22H22N4O	train	24
C22H22N4O2	train	7
C22H22N4O2S	train	34
C22H22N4O2S2	train	8
C22H22N4O3	train	114
C22H22N4O3S2	train	10
C22H22N4O4S	train	51
C22H22N4O5	train	21
C22H22N4O5S	train	16
C22H22N4O5S2	train	13
C22H22N6O	train	29
C22H22N6O2	train	6
C22H22N6O2S	train	8
C22H22N6O3	train	21
C22H22N6OS	train	16
C22H22N8	train	3
C22H22N8O8PS4+	train	5
C22H22O11	train	155
C22H22O12	train	112
C22H22O3	train	5
C22H22O4	train	5
C22H22O8	train	94
C22H22O9	train	50
C22H23BrN4O	train	8
C22H23ClFN3O2S	train	10
C22H23ClFN5O	train	19
C22H23ClFN5O3	train	10
C22H23ClN2O2	train	36
C22H23ClN2O4	train	15
C22H23ClN2O4S	train	26
C22H23ClN2O5	train	8
C22H23ClN2O8	train	32
C22H23ClN4O2S	train	18
C22H23ClN4O3	train	26
C22H23ClN6O	train	88
C22H23F2N3O2	train	9
C22H23F2N3O3S	train	10
C22H23F2N3O4S	train	23
C22H23F2N5O	train	35
C22H23F3N4	train	6
C22H23F3N4O	train	8
C22H23F3N4O4	train	23
C22H23F3N8O	train	5
C22H23F4N5OS	train	8
C22H23FN2O2	train	18
C22H23FN2O3S	train	5
C22H23FN2O3S2	train	9
C22H23FN4	train	12
C22H23FN4O2	train	21
C22H23FN4O3S	train	41
C22H23N	train	5
C22H23N3	train	12
C22H23N3O	train	101
C22H23N3O2	train	132
C22H23N3O2S	train	40
C22H23N3O2S2	train	25
C22H23N3O3	train	103
C22H23N3O3S	train	41
C22H23N3O3S2	train	24
C22H23N3O3S3	train	19
C22H23N3O4	train	136
C22H23N3O4S	train	10
C22H23N3O5S	train	33
C22H23N3O7	train	18
C22H23N5O	train	33
C22H23N5O2	train	122
C22H23N5O2S	train	29
C22H23N5O3S	train	26
C22H23N5O3S2	train	5
C22H23N5O4	train	29
C22H23N5OS	train	49
C22H23N6O7S2+	train	10
C22H23N7	train	12
C22H23N7O	train	8
C22H23N7O2	train	8
C22H23N7O3	train	24
C22H23N7OS	train	24
C22H23N7OS3	train	16

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