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
C20H18O6
test
56
C20H19ClFN3O2
test
8
C20H19ClN4O
test
16
C20H19ClN4O2S
test
13
C20H19F3N2O2
test
78
C20H19FN2OS
test
17
C20H19FN4O2S
test
16
C20H19N3O
test
67
C20H19NO4S2
test
13
C20H19NO5
test
69
C20H20BrN5OS
test
5
C20H20ClFN4O4S2
test
21
C20H20ClN5O
test
13
C20H20ClNO4S
test
20
C20H20F3N5O3S
test
46
C20H20FN3O3S
test
16
C20H20FN3O4S
test
31
C20H20FNO2S
test
8
C20H20N2O3
test
124
C20H20N2O4S
test
37
C20H20NO4+
test
36
C20H20O13
test
13
C20H20O8
test
60
C20H21BrN6O
test
8
C20H21ClFN5O3S
test
16
C20H21ClN2O
test
41
C20H21ClN2O3
test
29
C20H21ClN2O4
test
34
C20H21ClN4O2S2
test
5
C20H21ClN4O4S
test
18
C20H21F3N2O3S
test
13
C20H21F3N2O4S
test
20
C20H21FN2O5S
test
5
C20H21FN2OS
test
5
C20H21N3O
test
223
C20H21N5O3
test
45
C20H21N5O6
test
51
C20H22ClF3N2O3
test
21
C20H22F3N3O5S
test
12
C20H22FN3O3
test
63
C20H22N2O7S
test
72
C20H22N4O
test
267
C20H23ClN2O3
test
23
C20H23FN2O4S
test
15
C20H23N
test
32
C20H23N3O4S2
test
16
C20H23N3O5
test
18
C20H23N7O3
test
8
C20H23NO4S
test
16
C20H24ClNO2
test
31
C20H24F3N5O2
test
57
C20H24N4O
test
166
C20H24N4O4S
test
39
C20H24N4OS
test
33
C20H24N6O3S
test
16
C20H25BrN4O
test
10
C20H25BrN4O2S2
test
26
C20H25N3
test
8
C20H25N3O4
test
5
C20H25NO5
test
16
C20H26Cl2N4O2
test
8
C20H26ClN7
test
5
C20H26N4O
test
185
C20H26N4O3S
test
44
C20H26N6
test
5
C20H26N6O2
test
64
C20H26O10
test
19
C20H27ClN4O4S
test
10
C20H27N3O
test
16
C20H28N2O2
test
138
C20H28N4O5S
test
24
C20H28O12
test
53
C20H28O13
test
26
C20H28O14
test
10
C20H28O3
test
17
C20H30O5
test
179
C20H30O6
test
21
C20H31N3O
test
21
C20H31N5O2
test
42
C20H31NO4
test
51
C20H32N6O2
test
8
C20H33NO3
test
16
C20H34O5
test
73
C20H35N3O2
test
16
C20H4Cl4I4O5
test
9
C21H15ClN4O3
test
18
C21H15F3N4O2S
test
5
C21H15N5O6S
test
8
C21H16F3N3O2
test
8
C21H16F3N5O2
test
16
C21H16FN3O2S
test
5
C21H17BrN2O4
test
5
C21H17Cl2N3O5S
test
8
C21H17Cl3N4OS
test
13
C21H17ClN2O2
test
20
C21H17ClN4O4S
test
10
C21H17F3N4
test
8
C21H18ClN5O2S
test
8
C21H18ClN5O3
test
8
C21H18F2N2O2
test
14