0  B12R0.5  C#CCCCCCCCCCCO W16726 [0,0,0,0,0,0|2,0,1]=3
1  B12R0.5  CCOCCCCCCCCCO C12008 [0,0,0,0,0,0|1,0,2]=3
2  B12R0.5  OCCCCCCCCCCCS C76355 [0,0,0,0,0,0|1,0,2]=3
3  B11R0.3  CCCCCCCCCCNC A11532 [1,0,0,0,0,0|1,0,1]=3
4  B11R0.3  CCCCCCCCSCCO A10652 [1,0,0,0,0,0|1,0,1]=3
5  B11R0.3  CNCCCCCCCCNC D93197 [1,0,0,0,0,0|2,0,1]=4
6  B13R0.54  C=CCCCCCCCCCC(=O)O I12075 [0,1,0,0,0,0|0,0,2]=3
7  B13R0.54  O=C(O)CCCCCCCCCCCl D86287 [0,1,0,0,0,0|1,0,0]=2
8  B13R0.147  COC(=O)CCCCCCCCC=O F19637 [0,1,0,0,0,0|1,0,1]=3
9  B13R0.165  CCCCCCC(C)CCCCCC D93446 [0,1,0,0,0,0|1,0,1]=3
10  B13R0.336  C#CCCCCCCCCCCCO D92924 [0,1,0,0,0,0|1,0,1]=3
11  B12R0.206  CCCCCCO[C@@H](C)CCCC A11150 [1,1,0,0,0,0|1,0,1]=4
12  B12R0.234  C=CCCCCCCCCC(=O)[O-] C75615 [1,1,0,0,0,0|0,0,2]=4
13  B12R0.234  CCCCCCCCCCC(N)=O Y14687 [1,1,0,0,0,0|0,0,0]=2
14  B12R0.248  COC(=O)CCCCCCCC=O S10595 [1,1,0,0,0,0|1,0,1]=4
15  B14R0.68  CC(C)CCCCCCC\C=C/C(=O)O D86952 [0,2,0,0,0,0|0,0,2]=4
16  B14R0.305  CCC(=O)CCCCCCCCC(=O)O D94101 [0,2,0,0,0,0|0,0,1]=3
17  B14R0.337  C=CC(=O)OCCCCCCCCCC D81854 [0,2,0,0,0,0|1,0,0]=3
18  B14R0.394  CCCCCCCCCCCCC(C)=O T72124 [0,2,0,0,0,0|0,0,0]=2
19  B14R0.392  CCCCCCCCCCCCNCC D97267 [0,2,0,0,0,0|1,0,1]=4
20  B14R0.86  CCCCCCC[C@@H](CO)CCCCC AB22808 [0,2,0,0,0,0|1,0,1]=4
21  B12R1.8  OCCCCCN1CCCCC1 T72240 [1,0,0,1,0,0|1,0,1]=4
22  B14R1.40  CCCCCCCCCC1OCCO1 75595 [0,1,0,1,0,0|0,0,2]=4
23  B14R2.24  O=C1CCCCN1C2CCNCC2 53910 [0,0,0,2,0,0|2,0,0]=4