0  B8R0.6  C=C[C@@H](O)CCCCC DB03025 [0,0,0,0,0,0|0,0,0]=0
1  B7R0.1  NCCCCCCN DB03260 [1,0,0,0,0,0|2,0,1]=4
2  B7R0.1  OCCCCCCBr DB04637 [1,0,0,0,0,0|2,0,1]=4
3  B7R0.1  OCCCCCCO DB02210 [1,0,0,0,0,0|2,0,1]=4
4  B7R0.3  CCCCC(O)CO DB14108 [1,0,0,0,0,0|1,0,1]=3
5  B7R0.3  [C@@H](N)(C=O)CCCC DB03241 [1,0,0,0,0,0|2,0,0]=3
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|2,0,0]=3
9  B9R0.8  [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,1,0,0,0,0|1,0,1]=3
10  B9R0.46  [C@@H](N)(C=O)CSSCCC DB03654 [0,1,0,0,0,0|3,0,0]=4
11  B9R0.47  NC(=O)[C@@H](N)CCCC[NH3+] DB03988 [0,1,0,0,0,0|3,0,0]=4
12  B9R0.47  NCCCC[C@@H](N)C(=O)O DB03252 [0,1,0,0,0,0|3,0,0]=4
13  B9R0.47  N[C@@H](CCCCO)C(=O)O DB03412 [0,1,0,0,0,0|3,0,0]=4
14  B9R0.47  [C@@H](N)(CCCCO)C(=O)O DB02233 [0,1,0,0,0,0|3,0,0]=4
15  B6R0.6  NCCCCCN DB03854 [2,0,0,0,0,0|2,0,0]=4
16  B6R0.4  CCCCB(O)O DB02664 [2,0,0,0,0,0|2,0,0]=4
17  B6R0.4  CCCCC(=O)O DB02406 [2,0,0,0,0,0|1,0,1]=4
18  B8R0.7  CCCCCCC(=O)O DB02938 [1,1,0,0,0,0|1,0,0]=3
19  B8R0.7  CCCCCCC(N)=O DB02641 [1,1,0,0,0,0|1,0,0]=3
20  B8R0.8  CCCC[C@@H](N)C(=O)O DB04419 [1,1,0,0,0,0|2,0,0]=4
21  B10R0.60  C=C[C@@H](C)CCCC(C)(C)O DB02273 [0,2,0,0,0,0|1,0,0]=3
22  B10R0.1  [C@@H](C)(CCCCCC)\N=C\O DB02131 [0,2,0,0,0,0|2,0,0]=4
23  B10R0.75  CNCCCC[C@H](N)C(=O)O DB01714 [0,2,0,0,0,0|2,0,0]=4
24  B10R0.75  [C@H](O)(CCCCCC)C(=O)O DB07907 [0,2,0,0,0,0|1,0,0]=3
25  B8R1.2  O=CN1CCCCC1 DB04113 [1,0,0,1,0,0|2,0,0]=4
26  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [1,0,0,1,0,0|1,0,1]=4
27  B8R1.40  [C@@H](C)(C=O)CC1CC1 DB03736 [1,0,0,1,0,0|2,0,0]=4