0  B15R0.164  CCCCCCCCCCCCCC(=O)[O-] AMY14200 [0,0,0,0,0,0|0,0,1]=1
1  B15R0.164  CCCCCCCCCCC\C=C\C(=O)O AMY37908 [0,0,0,0,0,0|0,0,2]=2
2  B15R0.164  CCC\C=C/CCCCCCCOC(C)=O AM84876 [0,0,0,0,0,0|2,0,2]=4
3  B15R0.164  CCC\C=C\CCCCCCCOC(C)=O AMY39155 [0,0,0,0,0,0|2,0,2]=4
4  B14R0.392  CCCCCCCCCCCCCC=O AMY6110 [1,0,0,0,0,0|0,0,0]=1
5  B14R0.394  CCCCCCCCCCCCC(=O)O AMY5937 [1,0,0,0,0,0|0,0,0]=1
6  B14R0.394  CCCCCCCCCCCC[S@](C)=O AMY202100068 [1,0,0,0,0,0|2,0,0]=3
7  B14R0.394  CCCCCCCCCCCOC(C)=O AMY037 [1,0,0,0,0,0|2,0,0]=3
8  B14R0.394  CCCCCCCCCCNCC(=O)O AMY7682 [1,0,0,0,0,0|1,0,0]=2
9  B14R0.394  O=C(O)CCCCCCCCCCCBr AMY25771 [1,0,0,0,0,0|1,0,0]=2
10  B16R0.165  COC(=O)CCCCCCCCCCC(=O)O AMY3706 [0,1,0,0,0,0|1,0,1]=3
11  B16R0.274  CCCCCCCCCCCCCCC(=O)O AMY5935 [0,1,0,0,0,0|0,0,0]=1
12  B16R0.274  O=C(O)CCCCCCCCCCCCCBr AMY37959 [0,1,0,0,0,0|0,0,0]=1
13  B16R0.274  O=C(O)CCCCCCCCCCCCCO AMY37956 [0,1,0,0,0,0|0,0,0]=1
14  B16R0.274  O=C(O)CCCCCCCCCCCCCS AMY37960 [0,1,0,0,0,0|0,0,0]=1
15  B16R0.302  CCCCCCCCCCC[C@@H](O)CC(=O)O AMY25629 [0,1,0,0,0,0|0,0,0]=1
16  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)[O-] AMY22317 [0,1,0,0,0,0|2,0,1]=4
17  B16R0.3183  CCCCCCCCCCC(=O)NCC(=O)O AMY42002 [0,1,0,0,0,0|1,0,1]=3
18  B13R0.336  CCCCCCCCCCCCCO AMY5938 [2,0,0,0,0,0|0,0,0]=2
19  B13R0.336  OCCCCCCCCCCCCBr AMY6316 [2,0,0,0,0,0|1,0,0]=3
20  B13R0.54  CCCCCCCCCCOC(=O)Cl AMY4023 [2,0,0,0,0,0|2,0,0]=4
21  B13R0.54  CCCCCCCCC\C=C\C(=O)O AMY37907 [2,0,0,0,0,0|0,0,2]=4
22  B13R0.54  NCCCCCCCCCCC(=O)O AM82457 [2,0,0,0,0,0|1,0,0]=3
23  B13R0.54  O=C(O)CCCCCCCCCCBr AM84878 [2,0,0,0,0,0|1,0,0]=3
24  B15R0.70  CCCCCCCCCCCCCCC=O AM20120587 [1,1,0,0,0,0|0,0,0]=2
25  B15R0.70  CCCCCCCCCCCCCCCO AMY5936 [1,1,0,0,0,0|0,0,1]=3
26  B15R0.70  OCCCCCCCCCCCCCCBr AMY6317 [1,1,0,0,0,0|0,0,1]=3
27  B15R0.81  CCCCCCCCCCCC[C@H](O)CO AM20090178 [1,1,0,0,0,0|0,0,1]=3
28  B17R0.14245  CCCCCCCCCCCCOC(=O)[C@H](C)O AMY22510 [0,2,0,0,0,0|1,0,0]=3
29  B17R0.43  C#CCCCCCCCCCCCCCC(=O)O AM806680 [0,2,0,0,0,0|0,0,0]=2
30  B17R0.43  CCCCCCCCCCCCC\C=C\C(=O)O AMY6908 [0,2,0,0,0,0|0,0,0]=2
31  B17R0.43  O=C(O)CCCCCCCCCCCCCCBr AMY10920 [0,2,0,0,0,0|0,0,0]=2
32  B17R0.192  CCCCCCCCCCCC(=O)NCC(=O)O AMY38450 [0,2,0,0,0,0|0,0,1]=3