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
C18H22O6	train	5
C18H22O7	train	13
C18H22O8	train	5
C18H23BrN4O3S	train	5
C18H23BrN4OS	train	16
C18H23ClFN5O	train	18
C18H23ClN2O	train	8
C18H23ClN2O2	train	72
C18H23ClN4	train	10
C18H23ClN4O	train	28
C18H23ClN4O2	train	18
C18H23ClN4O3S3	train	10
C18H23ClN6O3	train	5
C18H23F2N3O	train	8
C18H23F2N5O4S2	train	26
C18H23F2N7O2	train	8
C18H23F3N2O2S	train	8
C18H23F3N2O4S	train	29
C18H23F3N2O7	train	17
C18H23F4N3O3	train	26
C18H23F4N5O	train	8
C18H23F6N3S	train	30
C18H23FN2O2	train	34
C18H23FN2O3	train	11
C18H23FN2O4S	train	15
C18H23FN2O6	train	15
C18H23FN2S	train	16
C18H23FN4	train	16
C18H23FN4O2	train	74
C18H23FN4O3S	train	18
C18H23FN4O4	train	32
C18H23FN6O	train	6
C18H23N3O	train	34
C18H23N3O2	train	449
C18H23N3O2S	train	179
C18H23N3O2S2	train	26
C18H23N3O3	train	580
C18H23N3O3S	train	86
C18H23N3O3S2	train	5
C18H23N3O4S	train	78
C18H23N3O4S2	train	17
C18H23N3O4S3	train	24
C18H23N3O5S	train	36
C18H23N3O5S2	train	13
C18H23N3O6S	train	10
C18H23N3OS	train	96
C18H23N3S	train	8
C18H23N5	train	37
C18H23N5O	train	203
C18H23N5O2	train	312
C18H23N5O2S	train	8
C18H23N5O3	train	79
C18H23N5O4	train	5
C18H23N5O6	train	16
C18H23N5O9P2	train	5
C18H23N5S	train	21
C18H23N7O2	train	42
C18H23N7OS	train	5
C18H23NO	train	21
C18H23NO2S	train	68
C18H23NO2S2	train	25
C18H23NO3S	train	54
C18H23NO3S2	train	5
C18H23NO4	train	135
C18H23NO4S2	train	5
C18H23NO5	train	67
C18H23NOS	train	8
C18H23NOS2	train	13
C18H23O7P	train	5
C18H24BrN3O3	train	41
C18H24BrNO	train	8
C18H24ClFN2O2	train	30
C18H24ClN3O2	train	7
C18H24ClN3O3	train	23
C18H24ClN3O3S	train	13
C18H24ClN3O4	train	17
C18H24ClN3O6S	train	5
C18H24ClN5	train	8
C18H24ClN5O	train	10
C18H24ClN5O2	train	8
C18H24ClN7O3	train	13
C18H24ClNO3	train	8
C18H24ClNO5S	train	5
C18H24F2N2O	train	8
C18H24F2N2O2	train	15
C18H24F3N3O2S	train	60
C18H24F3N3O3	train	45
C18H24F3N5O2	train	21
C18H24F3N5O3S	train	12
C18H24FN3O2	train	16
C18H24FN3O3	train	14
C18H24FN3O4	train	31
C18H24FN3OS	train	16
C18H24FN5O	train	16
C18H24FN5S	train	8
C18H24I3N3O8	train	54
C18H24I3N3O9	train	35
C18H24N2O2	train	153
C18H24N2O3	train	135
C18H24N2O3S	train	214

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