0  B19R0.149  CCCCC/C=C/C/C=C/CCCCCCCC(=O)O S573027 [0,0,0,0,0,0|0,0,4]=4
1  B19R0.149  CCCCCCCC/C=C\CCCCCCCC(=O)O CDS003411 [0,0,0,0,0,0|0,0,4]=4
2  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O CDS003412 [0,0,0,0,0,0|0,0,2]=2
3  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825972 [0,0,0,0,0,0|0,0,2]=2
4  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O S825980 [0,0,0,0,0,0|0,0,2]=2
5  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] CDS003888 [0,0,0,0,0,0|0,0,3]=3
6  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] S836826 [0,0,0,0,0,0|0,0,3]=3
7  B19R0.149  CCCCCCCCCCCCCCCCCC(=S)N S553670 [0,0,0,0,0,0|1,1,2]=4
8  B19R0.149  CCCCCCCCCCCCCCCCCC(C)O S454699 [0,0,0,0,0,0|1,0,3]=4
9  B19R0.149  CCCCCCCCCCCCCCCCNC(=O)N S810681 [0,0,0,0,0,0|2,0,2]=4
10  B19R0.149  CCCCCCCCCCCCCCCCSC(=O)C S387207 [0,0,0,0,0,0|2,0,2]=4
11  B18R0.176  CCCCCCCCCCCCCCCCC(=O)[O-] R580686 [1,0,0,0,0,0|0,0,2]=3
12  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S233501 [1,0,0,0,0,0|1,0,1]=3
13  B18R0.176  CCCCCCCCCCCCSCCCC(=O)O S605379 [1,0,0,0,0,0|1,0,1]=3
14  B20R0.3034  CCCCCCCCCCCCCCCCCC(=O)CC S573000 [0,1,0,0,0,0|1,0,2]=4
15  B20R0.3037  CCCCCCCCCCCCCCCCC(Br)C(=O)O S415863 [0,1,0,0,0,0|0,0,2]=3
16  B20R0.32990  CCCCCC(=O)CCCCCCCCCCCC(=O)O S874922 [0,1,0,0,0,0|0,0,3]=4
17  B17R0.43  CCCCCCCCCCCCC/C=C/C(=O)O CDS000103 [2,0,0,0,0,0|0,0,2]=4
18  B17R0.43  CCCCCCCCCCCCCCCC(=O)C S762911 [2,0,0,0,0,0|1,0,0]=3
19  B17R0.43  CCCCCCCCCCCCCCCC(=O)O S833266 [2,0,0,0,0,0|0,0,0]=2
20  B17R0.43  CCCCCCCCCCCCCCNC(=O)N S811866 [2,0,0,0,0,0|2,0,0]=4
21  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S28291 [2,0,0,0,0,0|2,0,0]=4
22  B17R0.43  CCCCCCCCCCCCSCCC(=O)N S43193 [2,0,0,0,0,0|2,0,0]=4
23  B17R0.43  CCCCCCCCCCCCSCCC(=O)O S537306 [2,0,0,0,0,0|1,0,0]=3
24  B17R0.43  CCCCCCCCSCCCCCCC(=O)O R395536 [2,0,0,0,0,0|1,0,0]=3
25  B17R0.43  CCCCSCCCCCCCCCCC(=O)O S537659 [2,0,0,0,0,0|1,0,0]=3
26  B21R0.81  CCCCC/C=C\C=C\CC/C=C\CCCCCCC(=O)O PH004813 [0,2,0,0,0,0|0,0,2]=4
27  B21R0.81  CCCCCCCC/C=C\CCCCCCCCOC(=O)N S354171 [0,2,0,0,0,0|2,0,0]=4
28  B21R1.17805  CCCCCCCCC1OC1CCCCCCCC(=O)O S812463 [0,1,0,1,0,0|0,0,2]=4