formula
stringlengths
5
17
fold
stringclasses
3 values
n_spectra
int64
1
627
C24H27NO9
train
21
C24H28ClFN2O2S
train
8
C24H28ClN3O
train
7
C24H28ClN3O2
train
7
C24H28ClN5O3
train
21
C24H28ClNO6
train
16
C24H28F3N3O3
train
18
C24H28F4N6
train
5
C24H28FN3O
train
31
C24H28FN5O2
train
13
C24H28N2O3
train
174
C24H28N2O4
train
8
C24H28N2O4S
train
10
C24H28N2O5
train
42
C24H28N4O
train
8
C24H28N4O2
train
60
C24H28N4O2S
train
39
C24H28N4O3S
train
10
C24H28N4O3S2
train
10
C24H28N4O4
train
49
C24H28N4O4S
train
18
C24H28N4O6
train
10
C24H28N6O2S
train
10
C24H28N6O3
train
5
C24H28N6O3S
train
28
C24H28O10
train
12
C24H28O11
train
75
C24H28O12
train
39
C24H28O4
train
11
C24H28O5
train
8
C24H28O8
train
5
C24H29Cl2N3O
train
8
C24H29ClN2O2
train
23
C24H29ClN2O3
train
8
C24H29ClN6O3
train
5
C24H29ClN6OS
train
5
C24H29FN2O4
train
8
C24H29FN2O5
train
15
C24H29FN4O
train
8
C24H29FN4O3
train
14
C24H29FN6
train
20
C24H29FN6O
train
24
C24H29N3O3
train
8
C24H29N3O3S
train
13
C24H29N3O4S
train
18
C24H29N3O5
train
31
C24H29N3O6S
train
21
C24H29N5O
train
63
C24H29N5O2
train
10
C24H29N5O3
train
161
C24H29N5O3S2
train
8
C24H29N5O4
train
21
C24H29N5O4S
train
42
C24H29N5O5S
train
14
C24H29N5OS
train
10
C24H29N7O
train
8
C24H29N7O5
train
8
C24H29NO
train
21
C24H29NO2
train
26
C24H29NO3
train
32
C24H29NO5
train
88
C24H30Cl2FN3O3
train
22
C24H30ClN7O2S
train
5
C24H30ClN7O4S
train
59
C24H30ClN7OS
train
18
C24H30F2O6
train
24
C24H30F3N3O2
train
8
C24H30FN7O
train
10
C24H30N2O2
train
16
C24H30N2O2S
train
13
C24H30N2O3
train
20
C24H30N2O4S2
train
18
C24H30N2O5
train
18
C24H30N2O5S
train
18
C24H30N2O6S
train
13
C24H30N4O2
train
49
C24H30N4O2S
train
23
C24H30N4O3
train
42
C24H30N4O4
train
29
C24H30N4O4S
train
15
C24H30N4O5S
train
5
C24H30N6O
train
6
C24H30N6O2
train
34
C24H30N6O2S
train
12
C24H30O10
train
15
C24H30O11
train
73
C24H30O12
train
70
C24H30O13
train
41
C24H30O14
train
71
C24H30O4
train
23
C24H30O5
train
52
C24H30O6
train
31
C24H30O7
train
39
C24H30O8
train
23
C24H31ClF2N6O2
train
13
C24H31ClO7
train
25
C24H31F3N2O4S
train
5
C24H31F3N4S
train
8
C24H31FO6
train
81
C24H31N3O2
train
8