0  B12R0.234  CCCCCCCCCCC(=O)O 11A [0,0,0,0,0,0|0,0,2]=2
1  B11R0.3  CCCCCCCCCCC=O UNA [1,0,0,0,0,0|0,0,2]=3
2  B11R0.148  CCCCCCCCCC(=O)C UOC [1,0,0,0,0,0|1,0,1]=3
3  B11R0.148  CCCCCCCCCC(=O)O CRC [1,0,0,0,0,0|0,0,1]=2
4  B11R0.148  CCCCCCCCCC(=O)O DKA [1,0,0,0,0,0|0,0,1]=2
5  B13R0.54  C(CCCCCS)CCCCC(=O)O MDX [0,1,0,0,0,0|0,0,2]=3
6  B13R0.54  CCCCCCCCCCCC(=O)O DAO [0,1,0,0,0,0|0,0,2]=3
7  B13R0.54  CCCCCCCCCCCC(=O)O LAU [0,1,0,0,0,0|0,0,2]=3
8  B13R0.54  CCCCCCCCCCOC(=O)S UDT [0,1,0,0,0,0|0,1,2]=4
9  B13R0.54  CCCCCCCCC\C=C\C(=O)O 3X1 [0,1,0,0,0,0|0,0,0]=1
10  B13R0.54  CCCCCCC\C=C\C=C\C(=O)O MH9 [0,1,0,0,0,0|0,0,1]=2
11  B13R0.179  CC(C)CCCCCCCCC(=O)O M12 [0,1,0,0,0,0|0,0,2]=3
12  B13R0.280  CCCCCCCCCCS(=O)(=O)O 1DB [0,1,0,0,0,0|1,0,2]=4
13  B13R1.1022  C1CCCC(CCC1)NCC(=O)O CNG [0,0,0,1,0,0|1,0,1]=3
14  B10R0.71  CCCCCCCCCCO DE1 [2,0,0,0,0,0|0,0,2]=4
15  B10R0.4  C(CCCC(=O)O)CCCN 8AC [2,0,0,0,0,0|1,0,0]=3
16  B10R0.4  C(CCCNC(=O)O)CCN CMY [2,0,0,0,0,0|2,0,0]=4
17  B10R0.4  CCCCCCCCC(=O)O KNA [2,0,0,0,0,0|0,0,0]=2
18  B10R0.4  CCCCCCCC[N+](=O)[O-] N8C [2,0,0,0,0,0|1,0,1]=4
19  B12R0.5  CCCCCCCCCCOC=O DFD [1,1,0,0,0,0|0,0,2]=4
20  B12R0.4  CCCCCCC[C@@H](CC(=O)O)O 5UF [1,1,0,0,0,0|0,0,1]=3
21  B12R0.251  C(CCC[C@@H](C(=O)O)N)CCCN 1E3 [1,1,0,0,0,0|1,0,1]=4
22  B12R0.251  CCCCCCSC[C@@H](C(=O)O)N SHC [1,1,0,0,0,0|1,0,1]=4
23  B12R0.268  CC(=O)CCCCC/C=C\C(=O)O 9OD [1,1,0,0,0,0|0,0,1]=3
24  B14R0.68  CC(C)CCCCC\C=C\C=C\C(=O)O 0W5 [0,2,0,0,0,0|0,0,1]=3
25  B14R0.391  CCCCCCCCCC(=O)CC(=O)O 3LA [0,2,0,0,0,0|0,0,1]=3
26  B14R0.391  CCCCCCCCC[C@H](CC(=O)O)O HXD [0,2,0,0,0,0|0,0,2]=4
27  B14R0.394  C(CCCCCC(=O)O)CCCCCBr BRC [0,2,0,0,0,0|0,0,2]=4
28  B14R0.394  C(CCCCCC(=O)O)CCCCCN DOA [0,2,0,0,0,0|0,0,2]=4
29  B14R0.394  C(CCCCCC(=O)O)CCCCCO 12H [0,2,0,0,0,0|0,0,2]=4
30  B14R0.394  CCCCCCCCCCCCC(=O)O TDA [0,2,0,0,0,0|0,0,2]=4
31  B12R1.1343  C1CCCC(CC1)NCC(=O)O CGH [1,0,0,1,0,0|1,0,1]=4
32  B14R1.14  CCCCCCCc1ccc(cc1)O EPT [0,1,0,1,0,0|1,0,1]=4