0  B7R0.3  COC(=O)CCCN M27562 [1,0,0,0,0,0|1,0,1]=3
1  B7R0.4  CCCCCC(=O)O M19562 [1,0,0,0,0,0|0,0,2]=3
2  B7R0.4  C\C=C\C=C\C(=O)O M21338 [1,0,0,0,0,0|0,0,2]=3
3  B7R0.4  C\C=C\C=C\C(=O)[O-] M19582 [1,0,0,0,0,0|0,0,3]=4
4  B7R0.4  NCCCCC(=O)O M19658 [1,0,0,0,0,0|1,0,2]=4
5  B9R0.24  COC(=O)\C=C\C(=O)OC M15362 [0,1,0,0,0,0|1,0,1]=3
6  B9R1.11  COC(=O)c1ccco1 M21355 [0,0,0,1,0,0|1,0,2]=4
7  B9R1.11  O=C(NO)C1=CCCC1 M11783 [0,0,0,1,0,0|2,0,0]=3
8  B6R0.6  CCC\C=C\C=O M21392 [2,0,0,0,0,0|0,0,0]=2
9  B6R0.6  CC\C=C/CCO M27539 [2,0,0,0,0,0|1,0,1]=4
10  B6R0.1  COC(=O)CCN M21383 [2,0,0,0,0,0|1,0,0]=3
11  B6R0.4  CCCCC(=O)O M19748 [2,0,0,0,0,0|0,0,1]=3
12  B6R0.4  CCCCC(C)=O M20883 [2,0,0,0,0,0|0,0,1]=3
13  B6R0.4  CCOCC(=O)O M28131 [2,0,0,0,0,0|1,0,1]=4
14  B6R0.4  CSCCC(=O)O M20021 [2,0,0,0,0,0|1,0,1]=4
15  B6R0.4  NCCCC(=O)O M15043 [2,0,0,0,0,0|1,0,1]=4
16  B8R0.9  COC(=O)\C=C\C(=O)O M26304 [1,1,0,0,0,0|1,0,1]=4
17  B8R0.19  COC(=O)CC(=O)OC M20375 [1,1,0,0,0,0|1,0,1]=4
18  B8R0.5  CCOC(=O)CC(=O)O M19544 [1,1,0,0,0,0|1,0,1]=4
19  B10R0.2  CCOC(=O)CC(=O)OCC M20230 [0,2,0,0,0,0|1,0,1]=4
20  B10R0.74  CCCCCCCC(=O)OC M29391 [0,2,0,0,0,0|0,0,2]=4
21  B8R1.1  CCC1CCC(=O)O1 M21388 [1,0,0,1,0,0|2,0,0]=4
22  B8R1.7  O=C(O)C1CCCN1 M18044 [1,0,0,1,0,0|1,0,1]=4
23  B8R1.7  O=C(O)[C@H]1CCCN1 M20032 [1,0,0,1,0,0|1,0,1]=4
24  B10R1.13  C=C1C=CC(C(C)C)CC1 M22033 [0,1,0,1,0,0|2,0,0]=4
25  B10R1.13  CC1=CC[C@H](C(C)C)C=C1 M21502 [0,1,0,1,0,0|2,0,0]=4
26  B10R1.15  COC(=O)C1=CCCNC1 M20598 [0,1,0,1,0,0|0,0,0]=2
27  B10R1.15  COC(=O)C1CCCCC1 M27564 [0,1,0,1,0,0|0,0,2]=4