0  B11R1.27  CCCCC[C@@H]1CC[C@H](O1)O HNB [1,0,0,0,0,0|0,0,2]=3
1  B11R1.27  CCCCC[C@H]1CC[C@@H](O1)O 2LE [1,0,0,0,0,0|0,0,2]=3
2  B11R0.40  CCCCCCCCC(=O)OC NON [0,0,1,0,0,0|2,0,0]=3
3  B11R0.148  CCCCCCCCCC(=O)C UOC [0,0,1,0,0,0|1,0,0]=2
4  B11R0.148  CCCCCCCCCC(=O)O CRC [0,0,1,0,0,0|0,0,0]=1
5  B11R0.148  CCCCCCCCCC(=O)O DKA [0,0,1,0,0,0|0,0,0]=1
6  B10R0.1  CCCCCC[C@@H](C)NC=O FXY [1,0,1,0,0,0|1,0,0]=3
7  B10R0.4  C(CCCC(=O)O)CCCN 8AC [1,0,1,0,0,0|1,0,0]=3
8  B10R0.4  C(CCCNC(=O)O)CCN CMY [1,0,1,0,0,0|2,0,0]=4
9  B10R0.4  CCCCCCCCC(=O)O KNA [1,0,1,0,0,0|0,0,0]=2
10  B10R0.4  CCCCCCCC[N+](=O)[O-] N8C [1,0,1,0,0,0|1,0,1]=4
11  B10R0.71  CCCCCCCCCCC UND [1,0,1,0,0,0|1,0,1]=4
12  B10R0.71  CCCCCCCCCCO DE1 [1,0,1,0,0,0|0,0,1]=3
13  B10R0.71  CCCCCCCCCCS D1T [1,0,1,0,0,0|0,1,1]=4
14  B10R0.91  CCCCC[C@@H](CCCO)O HND [1,0,1,0,0,0|0,0,2]=4
15  B10R0.91  CCCCC[C@H](C=CC=O)O HNE [1,0,1,0,0,0|0,0,2]=4
16  B10R1.16  CCCC[C@H]1CC[S@](=O)C1 SSB [2,0,0,0,0,0|2,0,0]=4
17  B12R0.1  CCCCCCCC[S@@](=O)CCO OES [0,1,1,0,0,0|2,0,0]=4
18  B12R0.234  CCCCCCCCCCC(=O)O 11A [0,1,1,0,0,0|0,0,0]=2
19  B12R0.268  C(CCCC(=O)O)CCCC(=O)O AZ1 [0,1,1,0,0,0|1,0,1]=4
20  B12R1.1343  C1CCCC(CC1)NCC(=O)O CGH [0,0,1,1,0,0|1,0,0]=3
21  B10R0.75  CCCCCC[C@@H](C(=O)O)O HOC [0,0,1,0,1,0|2,0,0]=4