0  B8R0.6  C=C[C@@H](O)CCCCC DB03025 [0,0,0,0,0,0|0,0,2]=2
1  B7R0.1  NCCCCCCN DB03260 [1,0,0,0,0,0|2,0,0]=3
2  B7R0.1  OCCCCCCBr DB04637 [1,0,0,0,0,0|2,0,0]=3
3  B7R0.1  OCCCCCCO DB02210 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.3  CCCCC(O)CO DB14108 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.3  [C@@H](N)(C=O)CCCC DB03241 [1,0,0,0,0,0|2,0,1]=4
6  B7R0.4  O=C(O)CCCCO DB04781 [1,0,0,0,0,0|2,0,1]=4
7  B7R0.4  [NH3+]CCCCC(=O)O DB02068 [1,0,0,0,0,0|2,0,1]=4
8  B9R0.5  CCCCC[C@H](C)NC=O DB03061 [0,1,0,0,0,0|2,0,1]=4
9  B9R0.8  [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,1,0,0,0,0|1,0,0]=2
10  B9R0.46  NCCCSC[C@H](N)CO DB04648 [0,1,0,0,0,0|3,0,0]=4
11  B9R1.132  OC[C@@H]1NC[C@H](O)[C@H]1O DB03411 [0,0,0,1,0,0|3,0,0]=4
12  B6R0.6  NCCCCCN DB03854 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.4  CCCCB(O)O DB02664 [2,0,0,0,0,0|2,0,0]=4
14  B6R0.4  CCCCC(=O)O DB02406 [2,0,0,0,0,0|1,0,1]=4
15  B8R0.4  COCCOCCOC DB02935 [1,1,0,0,0,0|2,0,0]=4
16  B8R0.7  CCCCCCC(=O)O DB02938 [1,1,0,0,0,0|1,0,1]=4
17  B8R0.7  CCCCCCC(N)=O DB02641 [1,1,0,0,0,0|1,0,1]=4
18  B10R0.75  [C@H](O)(CCCCCC)C(=O)O DB07907 [0,2,0,0,0,0|1,0,1]=4
19  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [1,0,0,1,0,0|1,0,0]=3
20  B10R1.2  OC[C@H]1CNC[C@@H](O)[C@@H]1O DB04545 [0,1,0,1,0,0|2,0,0]=4
21  B10R1.16  [C@H]1(CCCC)CC[S@](=O)C1 DB02871 [0,1,0,1,0,0|1,0,1]=4