0  B6R0.6  NCCCCCN DB03854 [0,0,0,0,0,0|2,0,0]=2
1  B6R0.6  O=CCCCC=O DB03266 [0,0,0,0,0,0|1,1,2]=4
2  B5R0.2  CCCCC=O DB01919 [1,0,0,0,0,0|0,1,1]=3
3  B5R0.2  CCCCCN DB02045 [1,0,0,0,0,0|1,0,0]=2
4  B5R0.2  CCOCCO DB02249 [1,0,0,0,0,0|1,1,0]=3
5  B5R0.2  COCCOC DB01749 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.2  NCCCCN DB01917 [1,0,0,0,0,0|2,0,0]=3
7  B5R0.2  OCCCCO DB01955 [1,0,0,0,0,0|1,1,0]=3
8  B5R0.2  [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|1,0,1]=3
9  B5R0.2  [NH3+]CCCCO DB02541 [1,0,0,0,0,0|1,1,0]=3
10  B7R0.1  NCCCCCCN DB03260 [0,1,0,0,0,0|1,0,0]=2
11  B7R0.1  OCCCCCCBr DB04637 [0,1,0,0,0,0|0,1,0]=2
12  B7R0.1  OCCCCCCO DB02210 [0,1,0,0,0,0|0,1,0]=2
13  B7R0.1  OCCSSCCO DB02486 [0,1,0,0,0,0|2,1,0]=4
14  B7R0.3  CCCCC(O)CO DB14108 [0,1,0,0,0,0|0,1,0]=2
15  B7R0.3  [C@@H](N)(C=O)CCCC DB03241 [0,1,0,0,0,0|0,1,1]=3
16  B7R0.4  O=C(O)CCCCO DB04781 [0,1,0,0,0,0|1,1,1]=4
17  B7R0.4  [NH3+]CCCCC(=O)O DB02068 [0,1,0,0,0,0|1,1,1]=4
18  B7R1.1  NC[C@@H]1CCCN1 DB03253 [0,0,0,1,0,0|2,0,0]=3
19  B7R1.3  O=C1CCCCC1 DB02060 [0,0,0,1,0,0|0,1,1]=3
20  B7R1.3  OC1CCCCC1 DB03703 [0,0,0,1,0,0|0,1,0]=2
21  B7R1.3  [C@@H]1(N)CCC=NC1 DB04504 [0,0,0,1,0,0|2,0,1]=4
22  B7R1.3  [NH3+]C1CCCCC1 DB02995 [0,0,0,1,0,0|1,0,0]=2
23  B4R0.2  CCCCN DB03659 [2,0,0,0,0,0|1,0,0]=3
24  B4R0.2  CCCCO DB02145 [2,0,0,0,0,0|0,1,0]=3
25  B4R0.2  COCCO DB02806 [2,0,0,0,0,0|1,1,0]=4
26  B4R0.2  OCCCO DB02774 [2,0,0,0,0,0|1,1,0]=4
27  B4R0.2  [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|1,0,1]=4
28  B6R0.4  CCCCB(O)O DB02664 [1,1,0,0,0,0|1,1,0]=4
29  B6R0.4  CCCCC(=O)O DB02406 [1,1,0,0,0,0|0,1,1]=4
30  B6R0.4  CCCOC(C)=O DB01670 [1,1,0,0,0,0|1,0,1]=4
31  B8R0.4  COCCOCCOC DB02935 [0,2,0,0,0,0|1,1,0]=4
32  B8R0.6  C=C[C@@H](O)CCCCC DB03025 [0,2,0,0,0,0|0,1,0]=3
33  B8R0.7  CCCCCCC(=O)O DB02938 [0,2,0,0,0,0|0,1,0]=3
34  B8R0.7  CCCCCCC(N)=O DB02641 [0,2,0,0,0,0|0,1,0]=3
35  B8R0.8  CCCC[C@@H](N)C(=O)O DB04419 [0,2,0,0,0,0|0,1,1]=4
36  B8R0.9  [C@@H](N)(CC)CCC(=O)O DB04235 [0,2,0,0,0,0|0,1,1]=4
37  B6R1.1  C1CCOCC1 DB02412 [1,0,0,1,0,0|0,1,0]=3
38  B6R1.1  C1COCCO1 DB03316 [1,0,0,1,0,0|1,1,0]=4
39  B8R1.2  O=CN1CCCCC1 DB04113 [0,1,0,1,0,0|0,1,1]=4
40  B8R1.2  [NH3+]CC1CCCCC1 DB02435 [0,1,0,1,0,0|1,0,0]=3
41  B8R1.40  [C@@H](C)(C=O)CC1CC1 DB03736 [0,1,0,1,0,0|0,1,1]=4