0  B14R0.392  C(CCCNCCCCCCN)CCN DRE [0,0,0,0,0,0|3,0,1]=4
1  B14R0.392  CCCCCCCCCCCCCCC MYS [0,0,0,0,0,0|1,0,1]=2
2  B13R0.336  C(CCCCCCBr)CCCCCO BDD [1,0,0,0,0,0|1,0,1]=3
3  B13R0.336  C(CCCCCCN)CCCCCN 297 [1,0,0,0,0,0|2,0,0]=3
4  B13R0.336  CCCCCCCCCCCCC=S 3LX [1,0,0,0,0,0|0,1,0]=2
5  B13R0.336  CCCCCCCCCCCCCC C14 [1,0,0,0,0,0|0,0,1]=2
6  B15R0.70  CCCCCCCCCCCCCCCC R16 [0,1,0,0,0,0|1,0,1]=3
7  B15R0.164  B(CCCCCCCCCCCCC)(O)O B0S [0,1,0,0,0,0|1,0,1]=3
8  B15R0.164  CCCCCCCCCCCCCC(=O)O MYR [0,1,0,0,0,0|0,0,0]=1
9  B15R0.164  CCCC\C=C/CCCCCCCC(=O)O MYZ [0,1,0,0,0,0|0,0,2]=3
10  B15R0.366  CCCCCCCCCCC[C@H](CC=O)O BFC [0,1,0,0,0,0|0,0,0]=1
11  B15R1.253  C1CCCCCNC(=O)[C@H](CCCC1)N RIN [0,0,0,1,0,0|2,0,0]=3
12  B12R0.5  CCCCCCCCCCCCC TRD [2,0,0,0,0,0|0,0,0]=2
13  B12R0.5  CCCCCCCCCCCCO 1DO [2,0,0,0,0,0|0,0,1]=3
14  B12R0.5  CCCCCCCCCCOC=O DFD [2,0,0,0,0,0|1,0,0]=3
15  B12R0.5  CCCCCCCCCCOCO DEM [2,0,0,0,0,0|1,0,1]=4
16  B14R0.394  C(CCCCCC(=O)O)CCCCCBr BRC [1,1,0,0,0,0|1,0,0]=3
17  B14R0.394  C(CCCCCC(=O)O)CCCCCN DOA [1,1,0,0,0,0|1,0,0]=3
18  B14R0.394  C(CCCCCC(=O)O)CCCCCO 12H [1,1,0,0,0,0|1,0,0]=3
19  B14R0.394  CCCCCCCCCCCCC(=O)O TDA [1,1,0,0,0,0|0,0,0]=2
20  B16R0.274  CCCCCCCCCCCCCCC(=O)O F15 [0,2,0,0,0,0|0,0,0]=2
21  B16R0.303  CCC/C=C\C=C\CCCCCCCCC=O B7M [0,2,0,0,0,0|0,0,2]=4
22  B16R0.303  CCCCCCCCCCCCCCCC=O PLY [0,2,0,0,0,0|0,0,0]=2
23  B16R0.303  CCCCCCCCCCCCCCCCI IHD [0,2,0,0,0,0|1,0,1]=4
24  B16R0.303  CCCCCCCCCCCCCCCCO PL3 [0,2,0,0,0,0|0,0,2]=4
25  B16R0.303  CCCCCCCCNCCCCCCCC D22 [0,2,0,0,0,0|1,0,1]=4
26  B16R0.303  CC\C=C/C=C\CCCCCCCCCC=O 1EY [0,2,0,0,0,0|0,0,2]=4
27  B16R0.302  CCCCCCCCCCCC(=O)CC(=O)O Z6X [0,2,0,0,0,0|0,0,1]=3
28  B16R0.302  CCCCCCCCCCC[C@H](CC(=O)O)O FTT [0,2,0,0,0,0|0,0,0]=2
29  B16R0.1188  CCCCCCCCCCCCOS(=O)(=O)O SDS [0,2,0,0,0,0|2,0,0]=4