0  B6R0.6  NCCCCCN DB03854 [0,0,0,0,0,0|2,0,2]=4
1  B5R0.2  CCCCC=O DB01919 [1,0,0,0,0,0|0,0,3]=4
2  B5R0.2  CCCCCN DB02045 [1,0,0,0,0,0|1,0,1]=3
3  B5R0.2  CCOCCO DB02249 [1,0,0,0,0,0|1,0,0]=2
4  B5R0.2  NCCCCN DB01917 [1,0,0,0,0,0|2,0,1]=4
5  B5R0.2  OCCCCO DB01955 [1,0,0,0,0,0|1,0,1]=3
6  B5R0.2  [C-]#[N+]CCCC DB01826 [1,0,0,0,0,0|2,0,1]=4
7  B5R0.2  [NH3+]CCCCO DB02541 [1,0,0,0,0,0|1,0,1]=3
8  B7R0.1  NCCCCCCN DB03260 [0,1,0,0,0,0|1,0,2]=4
9  B7R0.1  OCCCCCCBr DB04637 [0,1,0,0,0,0|0,0,2]=3
10  B7R0.1  OCCCCCCO DB02210 [0,1,0,0,0,0|0,0,2]=3
11  B7R0.1  OCCSSCCO DB02486 [0,1,0,0,0,0|2,0,0]=3
12  B7R0.3  CCCCC(O)CO DB14108 [0,1,0,0,0,0|0,0,2]=3
13  B7R1.1  NC[C@@H]1CCCN1 DB03253 [0,0,0,1,0,0|2,0,1]=4
14  B7R1.3  OC1CCCCC1 DB03703 [0,0,0,1,0,0|0,0,2]=3
15  B7R1.3  [C@@H]1(N)CCC=NC1 DB04504 [0,0,0,1,0,0|2,0,0]=3
16  B7R1.3  [NH3+]C1CCCCC1 DB02995 [0,0,0,1,0,0|1,0,2]=4
17  B4R0.2  CCCCN DB03659 [2,0,0,0,0,0|1,0,0]=3
18  B4R0.2  CCCCO DB02145 [2,0,0,0,0,0|0,0,0]=2
19  B4R0.2  COCCO DB02806 [2,0,0,0,0,0|1,0,0]=3
20  B4R0.2  C\C=C\C=O DB04381 [2,0,0,0,0,0|0,0,2]=4
21  B4R0.2  OCCCO DB02774 [2,0,0,0,0,0|1,0,0]=3
22  B4R0.2  [C-]#[N+]CCC DB04050 [2,0,0,0,0,0|2,0,0]=4
23  B6R0.1  CCNC(=O)OC DB03919 [1,1,0,0,0,0|2,0,0]=4
24  B6R0.1  CCOC(=O)NC DB02856 [1,1,0,0,0,0|2,0,0]=4
25  B6R0.4  CCCCB(O)O DB02664 [1,1,0,0,0,0|1,0,1]=4
26  B6R0.4  CCCCC(=O)O DB02406 [1,1,0,0,0,0|0,0,2]=4
27  B6R0.4  CCCOC(C)=O DB01670 [1,1,0,0,0,0|2,0,0]=4
28  B8R0.4  COCCOCCOC DB02935 [0,2,0,0,0,0|1,0,1]=4
29  B8R0.6  C=C[C@@H](O)CCCCC DB03025 [0,2,0,0,0,0|0,0,2]=4
30  B8R0.7  CCCCCCC(=O)O DB02938 [0,2,0,0,0,0|0,0,2]=4
31  B8R0.8  C(OC)=C[C@H](N)C(=O)O DB03611 [0,2,0,0,0,0|1,0,1]=4
32  B6R1.1  C1CCOCC1 DB02412 [1,0,0,1,0,0|0,0,1]=3
33  B6R1.1  C1COCCO1 DB03316 [1,0,0,1,0,0|1,0,0]=3
34  B6R1.2  O=C1CCCO1 DB04699 [1,0,0,1,0,0|1,0,1]=4
35  B8R1.5  O[C@H]1CSSC[C@@H]1O DB01822 [0,1,0,1,0,0|2,0,0]=4
36  B8R1.5  [C@@H]1(O)CSSC[C@H]1O DB02693 [0,1,0,1,0,0|2,0,0]=4
37  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,1,0,0|1,0,1]=4