0  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O CS-0152207 [0,0,0,0,0,0|0,0,0]=0
1  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] CS-0152209 [0,0,0,0,0,0|0,0,1]=1
2  B19R0.149  CCCCCCCCCCCCCCCCCC(C)=O CS-0362556 [0,0,0,0,0,0|1,0,0]=1
3  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(=O)[O-] CS-0635343 [0,0,0,0,0,0|0,0,3]=3
4  B19R0.149  CCCC\C=C/CCCCCCCCCCOC(C)=O CS-0152445 [0,0,0,0,0,0|2,0,2]=4
5  B18R0.176  CCCCCCCCCCCCCCCCC(=O)[O-] CS-0152215 [1,0,0,0,0,0|0,0,1]=2
6  B18R0.221  CCCCCCCCCSCCCCCCCCC CS-0330238 [1,0,0,0,0,0|2,0,1]=4
7  B18R0.221  CCCCCCCC\C=C\CCCCCCCCO CS-0185719 [1,0,0,0,0,0|0,0,3]=4
8  B20R0.90  CCCCCCC(O)CCCCCCCCCCC(=O)[O-] CS-0671547 [0,1,0,0,0,0|0,0,1]=2
9  B17R0.43  CCCCCCCCCCCCCCCC(=O)O CS-0198203 [2,0,0,0,0,0|0,0,0]=2
10  B17R0.43  CCCCCCCCCCCCCCCC(C)=O CS-W012587 [2,0,0,0,0,0|1,0,0]=3
11  B17R0.43  CCCCCCCCCCCCSCCC(=O)O CS-0313283 [2,0,0,0,0,0|1,0,0]=3
12  B17R0.43  NCCCCCCCCCCCCCCC(=O)O CS-0512461 [2,0,0,0,0,0|1,0,0]=3
13  B17R0.117  CCCCCCCCCCCCCCOCCO CS-0333623 [2,0,0,0,0,0|1,0,0]=3
14  B17R0.117  NCCCCCCCCCCCCCCCCN CS-0458650 [2,0,0,0,0,0|2,0,0]=4
15  B19R0.36  CCCCCCCCCCCCCCCCCCCN CS-0445978 [1,1,0,0,0,0|1,0,1]=4
16  B19R0.26208  CCCCCCCCCC(N)CCCCCCCCC CS-0619746 [1,1,0,0,0,0|1,0,1]=4
17  B19R0.26208  CCCCCCCCCC(O)CCCCCCCCC CS-0754536 [1,1,0,0,0,0|1,0,1]=4
18  B21R0.21192  CCCCCC[C@@H](O)C\C=C\CCCCCCCC(=O)O[Na] CS-0185732 [0,2,0,0,0,0|0,0,2]=4
19  B21R0.2929  CCCCCCCCCC(=O)CCCCCCCC(=O)OC CS-0449223 [0,2,0,0,0,0|0,0,1]=3
20  B21R0.30140  COC(=O)CCCCCCCCCCCCCCCC(=O)O CS-0528788 [0,2,0,0,0,0|0,0,1]=3
21  B21R0.81  CCCCCCCCCCCCCCCCCCCC(N)=O CS-0197253 [0,2,0,0,0,0|1,0,0]=3
22  B21R0.81  CCCCCCCCCCCCCCCCCCNC(N)=O CS-0213375 [0,2,0,0,0,0|1,0,0]=3
23  B21R0.81  CCCCCCCC\C=C/CCCCCCCCOC(C)=O CS-0185783 [0,2,0,0,0,0|1,0,1]=4
24  B19R1.25715  O=C(O)CCCCCCCCCCN1CCOCC1 CS-0851825 [1,0,0,1,0,0|2,0,0]=4
25  B21R1.17781  CCCCCCCCCCCCCCCCCCC1CO1 CS-0333702 [0,1,0,1,0,0|1,0,1]=4