0  B21R1.633376  CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C08368 [0,0,0,0,0,0|0,0,0]=0
1  B21R1.633376  CCCCC[C@@H]1O[C@@H]1C\C=C/CCCCCCCC(=O)O C14826 [0,0,0,0,0,0|0,0,0]=0
2  B21R1.633376  CCCCC[C@H]1O\C1=C\C=C/CCCCCCCC(=O)O C04594 [0,0,0,0,0,0|0,0,2]=2
3  B21R1.633376  CC\C=C/C[C@@H]1O\C1=C/C=C\CCCCCCCC(=O)O C04672 [0,0,0,0,0,0|0,0,4]=4
4  B22R1.146402  CCCCC[C@@H]1O[C@@H]1\C=C\[C@@H](O)CCCCCCCC(=O)O C14832 [0,1,0,0,0,0|0,0,2]=3
5  B20R0.90  CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)O C08365 [0,0,1,0,0,0|0,0,0]=1
6  B20R0.31940  CCCCCCCCCCCCCCCCCCC(=O)O C16535 [0,0,1,0,0,0|1,0,2]=4
7  B20R0.31940  O=C(O)CCCCCCC\C=C/CCCCCCCCO C19616 [0,0,1,0,0,0|2,0,0]=3
8  B20R0.31940  O=CCCCCCCC\C=C/CCCCCCCC(=O)O C19617 [0,0,1,0,0,0|2,0,1]=4
9  B20R0.32990  CCCCC[C@H](O)\C=C\C=C/CCCCCCCC(=O)O C14762 [0,0,1,0,0,0|0,0,2]=3
10  B19R0.149  CCCCCC#CC\C=C/CCCCCCCC(=O)O C07289 [1,0,1,0,0,0|0,0,2]=4
11  B19R0.149  CCCCCCCCC#CCCCCCCCC(=O)O C08459 [1,0,1,0,0,0|0,0,2]=4
12  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)O C01530 [1,0,1,0,0,0|0,0,2]=4
13  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(=O)O C00712 [1,0,1,0,0,0|0,0,0]=2
14  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(=O)[O-] C18601 [1,0,1,0,0,0|0,0,1]=3
15  B19R0.149  CCCCCCCC\C=C/CCCCCCCC(N)=O C19670 [1,0,1,0,0,0|1,0,0]=3
16  B19R0.149  CCCCCCCC\C=C\CCCCCCCC(=O)O C01712 [1,0,1,0,0,0|0,0,0]=2
17  B19R0.149  CCCCCC\C=C\C=C/CCCCCCCC(=O)O C04056 [1,0,1,0,0,0|0,0,2]=4
18  B19R0.149  CCCCC\C=C/C\C=C/CCCCCCCC(=O)O C01595 [1,0,1,0,0,0|0,0,2]=4
19  B21R0.37067  CCCCCC(O)C(O)C\C=C/CCCCCCCC(=O)O C14829 [0,1,1,0,0,0|0,0,0]=2
20  B21R0.36906  CCCCC[C@@H](\C=C\C=C/CCCCCCCC(=O)O)OO C04717 [0,1,1,0,0,0|0,0,2]=4
21  B21R1.988145  [C@H]1(CCCCCC)C[C@H]1CCCCCCCCCC(=O)O C13838 [0,1,0,0,1,0|1,0,1]=4
22  B23R1.150129  CCCCCC1OC1CC(O)C(O)CCCCCCCC(=O)O C14837 [0,2,0,0,0,0|0,0,2]=4
23  B21R1.18284  CCCCCCC1=CC=C(CCCCCCCC(=O)O)O1 C13798 [0,0,1,1,0,0|0,0,2]=4
24  B23R2.9057477  CCCCCC1OC1CC2OC2CCCCCCCC(=O)O C14836 [0,0,0,1,0,1|0,0,2]=4
25  B23R1.1112145  CCCCCC1OC1C\C=C/C\C=C/C\C=C/CCCC(=O)O C14771 [0,0,0,0,0,2|0,0,2]=4