0  B7R0.1  NCCCCCCN DB03260 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.1  OCCCCCCBr DB04637 [0,0,0,0,0,0|1,0,2]=3
2  B7R0.1  OCCCCCCO DB02210 [0,0,0,0,0,0|1,0,2]=3
3  B7R0.1  OCCSSCCO DB02486 [0,0,0,0,0,0|3,0,1]=4
4  B6R0.6  NCCCCCN DB03854 [1,0,0,0,0,0|2,0,1]=4
5  B8R0.7  CCCCCCC(=O)O DB02938 [0,1,0,0,0,0|0,0,3]=4
6  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [0,0,0,1,0,0|1,0,2]=4
7  B5R0.2  CCCCC=O DB01919 [2,0,0,0,0,0|0,0,2]=4
8  B5R0.2  CCCCCN DB02045 [2,0,0,0,0,0|1,0,0]=3
9  B5R0.2  CCOCCO DB02249 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.2  NCCCCN DB01917 [2,0,0,0,0,0|2,0,0]=4
11  B5R0.2  OCCCCO DB01955 [2,0,0,0,0,0|1,0,0]=3
12  B5R0.2  [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|2,0,0]=4
13  B5R0.2  [NH3+]CCCCO DB02541 [2,0,0,0,0,0|1,0,0]=3
14  B7R0.3  CCCCC(O)CO DB14108 [1,1,0,0,0,0|0,0,1]=3
15  B7R0.4  NC(=[NH2+])NCCCO DB03637 [1,1,0,0,0,0|2,0,0]=4
16  B7R0.4  O=C(O)CCCCO DB04781 [1,1,0,0,0,0|1,0,1]=4
17  B9R0.8  [C@@H](O)(CO)[C@H](O)CCCC DB04079 [0,2,0,0,0,0|0,0,2]=4
18  B9R0.2  CCCCCCCC(=O)O DB04519 [0,2,0,0,0,0|0,0,2]=4
19  B9R0.45  CCCCCCCCCO DB03143 [0,2,0,0,0,0|0,0,2]=4
20  B9R0.45  CCOCCOCCOC DB03508 [0,2,0,0,0,0|1,0,1]=4
21  B9R0.45  OCCOCCOCCO DB02327 [0,2,0,0,0,0|1,0,1]=4
22  B9R0.46  NCCCSC[C@H](N)CO DB04648 [0,2,0,0,0,0|1,0,1]=4
23  B7R1.3  OC1CCCCC1 DB03703 [1,0,0,1,0,0|0,0,1]=3
24  B7R1.3  [C@@H]1(N)CCC=NC1 DB04504 [1,0,0,1,0,0|2,0,0]=4
25  B7R1.3  [NH3+]C1CCCCC1 DB02995 [1,0,0,1,0,0|1,0,1]=4
26  B9R1.69  [C@H]1(O)CC[C@H](O)O[C@@H]1C DB03872 [0,1,0,1,0,0|1,0,1]=4
27  B9R1.41  [C@@H]1(C)C=CN[C@H]1C(=O)O DB03930 [0,1,0,1,0,0|1,0,1]=4