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Journal of Chemistry
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2021
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Article
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Tab 1
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Research Article
Computer-Aided Classification of New Psychoactive Substances
Table 1
The cod identification (CID), molecular formula (MF), molar weight filter (MW), types, and the numbers of atoms, rings, and aromatic rings in the molecules.
ā
CID
Formula
MW
C
F
H
I
N
O
Cl
Rings
Aromatic
Group 1
9889172
C20H19FINO
435.2738
20
1
19
1
1
1
0
3
3
117587582
C20H19ClINO
451.7284
20
0
19
1
1
1
1
3
3
10226340
C22H23IN2O
458.3353
22
0
23
1
2
1
0
4
3
56841530
C21H23NO2
321.4128
21
0
23
0
1
2
0
3
3
57507911
C21H23NO2
321.4128
21
0
23
0
1
2
0
3
3
57507905
C20H21NO2
307.3862
20
0
21
0
1
2
0
3
3
56463
C23H26N2O3
378.4641
23
0
26
0
2
3
0
4
3
Group 2
44397641
C22H25NO2
335.4394
22
0
25
0
1
2
0
3
3
44397500
C21H22ClNO
339.8585
21
0
22
0
1
1
1
3
3
44397540
C22H25NO2
335.4394
22
0
25
0
1
2
0
3
3
53494930
C24H28N2O2
376.4913
24
0
28
0
2
2
0
4
3
11616723
C22H25NO
319.4400
22
0
25
0
1
1
0
3
3
11493740
C22H25NO2
335.4394
22
0
25
0
1
2
0
3
3
53394099
C25H29NO2
375.5033
25
0
29
0
1
2
0
4
3