Datasets:
dsadd4
/
UltraMS-MSnLib-Benchmark

Dataset card Data Studio Files
xet
 Community
1
formula
stringlengths
5
17
fold
stringclasses
3 values
n_spectra
int64
1
627
C21H18FN5O
test
18
C21H18N4O4S
test
13
C21H19BrN2O3S2
test
6
C21H19ClF2N4O2
test
19
C21H19ClN4O2
test
40
C21H19ClN4O3
test
21
C21H19FN2O2
test
36
C21H19FN2O4S
test
21
C21H19N3O3
test
47
C21H19N3O5
test
16
C21H19N5O2S
test
10
C21H19N7O3
test
5
C21H19NO3S
test
43
C21H19NO4
test
36
C21H20FN3O2S
test
5
C21H20FN3O3S
test
13
C21H20N2O4S
test
41
C21H20O3
test
10
C21H21F2N3O3S
test
5
C21H21F3N4O3
test
21
C21H21F3N6O2
test
42
C21H21FN2O
test
16
C21H21FN6
test
36
C21H21FN6O2
test
23
C21H21N3O3S2
test
5
C21H21NO
test
88
C21H21NO2
test
107
C21H22BrNO5
test
13
C21H22ClN3O2S
test
5
C21H22FN3O4S
test
32
C21H22FN7O
test
15
C21H22N2O4
test
89
C21H22N4O5
test
41
C21H22O7
test
100
C21H22O8
test
5
C21H23ClN2O
test
31
C21H23FN2O
test
10
C21H23FN2O3
test
17
C21H23FN2O3S
test
14
C21H23N5O2
test
89
C21H23N5O4
test
28
C21H24ClN5O3S
test
10
C21H24F3N5S
test
8
C21H24N2O3S2
test
15
C21H24N2O7
test
5
C21H24N4
test
13
C21H24N4O2S
test
59
C21H24N4O4S2
test
13
C21H24N6OS
test
8
C21H25BrN2O3
test
5
C21H25ClFN3O3
test
16
C21H25ClN4O3S
test
5
C21H25ClN6O2
test
15
C21H25FN2O4S
test
24
C21H25FN6O3
test
10
C21H25N3O3
test
123
C21H25N5O8S2
test
29
C21H25N9O
test
16
C21H25NO2
test
111
C21H25NO3S
test
8
C21H26Cl2O
test
2
C21H26F2N2O4
test
5
C21H26FN5O
test
8
C21H26N2O6
test
24
C21H26N4O
test
80
C21H26N4O2
test
162
C21H26N6O3S
test
23
C21H26O4
test
47
C21H26O5
test
67
C21H27FN4O2
test
35
C21H27N3O5
test
43
C21H27N5O2
test
62
C21H27N5O3
test
93
C21H28FN3O3
test
8
C21H28FN5O2
test
17
C21H28N2O3S2
test
5
C21H28N2O4S
test
15
C21H28N2O8S2
test
7
C21H28N4O3S2
test
11
C21H28N6O3S
test
11
C21H28O14
test
16
C21H29BrN2O3
test
22
C21H29ClN2O4S
test
5
C21H29FN2O3
test
21
C21H29N3O5S
test
33
C21H29N5O
test
5
C21H29NO
test
35
C21H30N2O3S
test
21
C21H30N2O4S2
test
15
C21H30N4O2
test
24
C21H30N4O3
test
35
C21H30N4O4S
test
26
C21H31N7O2
test
10
C21H32FN3O2
test
8
C21H32N4O2S
test
16
C21H32N6O
test
38
C21H32O6
test
40
C21H34N4S2
test
5
C21H34O11
test
83
C21H34O12
test
16