0  B17R0.43  CCCCCCCCCCCCC\C=C\C(=O)O 5640AL [0,0,0,0,0,0|0,0,2]=2
1  B16R0.274  CCCCCCCCCCCCCOC(C)=O 6992AL [1,0,0,0,0,0|2,0,0]=3
2  B16R0.303  C#CCCCCCCCCCCCCCCC 4871AL [1,0,0,0,0,0|1,0,1]=3
3  B16R0.303  CCCCCCCCCCCCCCN=C=S 0182AE [1,0,0,0,0,0|1,1,1]=4
4  B16R0.303  CCCCCC\C=C/CCCCCCCC=O 8222AB [1,0,0,0,0,0|0,0,2]=3
5  B16R0.303  OCCCCCCCCCCCCCCCBr 8786AB [1,0,0,0,0,0|1,0,1]=3
6  B16R0.303  OCCCCCCCCCCCCCCCO 9275AJ [1,0,0,0,0,0|1,0,1]=3
7  B18R0.2  C#CCC[C@@H](O)CCCCCCCCCCC(=O)O 1170AH [0,1,0,0,0,0|0,0,2]=3
8  B18R0.174  CCCCCCCCCCCCCCC(C)C(=O)O Z5812 [0,1,0,0,0,0|0,0,0]=1
9  B18R0.174  CCCCCCCCCCCCCCC(O)C(=O)O 1903AC [0,1,0,0,0,0|0,0,0]=1
10  B18R0.176  CCCCCC\C=C/CCCCCCCCC(=O)O 0319AQ [0,1,0,0,0,0|0,0,1]=2
11  B15R0.70  CCCCCCCCCCCCCCCS 6307AF [2,0,0,0,0,0|0,1,0]=3
12  B15R0.164  C#CCCCCCCCCCCCC(=O)O 1200AH [2,0,0,0,0,0|0,0,2]=4
13  B17R0.117  CCCCCCCCCCCCCCCCCBr 6417AF [1,1,0,0,0,0|1,0,1]=4
14  B19R0.21221  COC(=O)CCCCCCCCCCCCC(=O)OC 6361AF [0,2,0,0,0,0|1,0,1]=4
15  B19R0.148  COC(=O)CCCCCCCCCCCCCCCBr 1213AQ [0,2,0,0,0,0|0,0,0]=2
16  B19R0.149  C#CCCCCCCCCCCCCCCCC(=O)O 1269AH [0,2,0,0,0,0|0,0,0]=2
17  B19R0.149  CCCCCC#CCC#CCCCCCCCC(=O)O 1538AH [0,2,0,0,0,0|0,0,2]=4
18  B19R0.149  CCCCCCCCCCCCCCCCCC(=O)[O-] 0143AA [0,2,0,0,0,0|0,0,1]=3
19  B19R0.149  CCCCCCCCCCC\C=C/CCCCC(=O)O 8778AL [0,2,0,0,0,0|0,0,0]=2
20  B19R0.149  CCCCCC\C=C\CCCCCCCCCC(=O)O 0706AC [0,2,0,0,0,0|0,0,0]=2
21  B19R0.149  CCCC\C=C/CCCCCCCCCCOC(C)=O 4044AB [0,2,0,0,0,0|1,0,1]=4
22  B19R0.3102  CCCCCCCCCCCCCCCCP(=O)(O)O 8576AL [0,2,0,0,0,0|1,0,0]=3
23  B17R1.11267  CC1CCCCCCCCCCCCC(=O)C1 R312 [1,0,0,1,0,0|1,0,0]=3
24  B17R1.27002  ON=C1CCCCCCCCCCCCCC1 7526AL [1,0,0,1,0,0|1,0,1]=4