0  B5R0.2  CCCCC=O DB01919 [0,0,0,0,0,0|3,0,1]=4
1  B5R0.2  CCCCCN DB02045 [0,0,0,0,0,0|3,0,0]=3
2  B5R0.2  CCOCCO DB02249 [0,0,0,0,0,0|2,1,0]=3
3  B5R0.2  COCCOC DB01749 [0,0,0,0,0,0|4,0,0]=4
4  B5R0.2  NCCCCN DB01917 [0,0,0,0,0,0|4,0,0]=4
5  B5R0.2  OCCCCO DB01955 [0,0,0,0,0,0|4,0,0]=4
6  B5R0.2  [C-]#[N+]CCCC DB01826 [0,0,0,0,0,0|3,0,1]=4
7  B5R0.2  [NH3+]CCCCO DB02541 [0,0,0,0,0,0|4,0,0]=4
8  B4R0.2  CCCCN DB03659 [1,0,0,0,0,0|2,0,0]=3
9  B4R0.2  CCCCO DB02145 [1,0,0,0,0,0|2,0,0]=3
10  B4R0.2  COCCO DB02806 [1,0,0,0,0,0|2,1,0]=4
11  B4R0.2  OCCCO DB02774 [1,0,0,0,0,0|3,0,0]=4
12  B4R0.2  [C-]#[N+]CCC DB04050 [1,0,0,0,0,0|2,0,1]=4
13  B4R0.2  [S-]SSS[S-] DB02956 [1,0,0,0,0,0|3,0,0]=4
14  B6R0.1  CCNC(=O)OC DB03919 [0,1,0,0,0,0|3,0,0]=4
15  B6R0.1  CCOC(=O)NC DB02856 [0,1,0,0,0,0|2,1,0]=4
16  B6R0.4  CCCOC(C)=O DB01670 [0,1,0,0,0,0|1,1,1]=4
17  B6R0.6  NCCCCCN DB03854 [0,1,0,0,0,0|3,0,0]=4
18  B6R1.1  C1CCOCC1 DB02412 [0,0,0,1,0,0|1,1,0]=3
19  B6R1.1  C1COCCO1 DB03316 [0,0,0,1,0,0|2,1,0]=4
20  B3R0.1  C#[N+]CC DB03399 [2,0,0,0,0,0|1,0,1]=4
21  B3R0.1  CCCO DB03175 [2,0,0,0,0,0|1,0,0]=3
22  B3R0.1  CCN=O DB02646 [2,0,0,0,0,0|1,1,0]=4
23  B3R0.1  CCNC DB02396 [2,0,0,0,0,0|1,0,0]=3
24  B3R0.1  ClCCCl DB03733 [2,0,0,0,0,0|2,0,0]=4
25  B3R0.1  NCCN DB14189 [2,0,0,0,0,0|2,0,0]=4
26  B3R0.1  NCCO DB03994 [2,0,0,0,0,0|2,0,0]=4
27  B3R0.1  OCCS DB03345 [2,0,0,0,0,0|2,0,0]=4
28  B5R0.1  CC(C)CCO DB02296 [1,1,0,0,0,0|2,0,0]=4
29  B5R0.1  CC(O)CCO DB14110 [1,1,0,0,0,0|2,0,0]=4
30  B5R0.1  CCSC(=N)N DB02234 [1,1,0,0,0,0|1,0,1]=4
31  B5R0.1  CSC[S@](C)=O DB02311 [1,1,0,0,0,0|2,0,0]=4
32  B5R0.1  C[C@H](O)CCO DB02202 [1,1,0,0,0,0|2,0,0]=4
33  B7R0.3  CCCCC(O)CO DB14108 [0,2,0,0,0,0|2,0,0]=4
34  B7R0.7  CCO[PH](=O)OCC DB02811 [0,2,0,0,0,0|0,2,0]=4
35  B7R0.1  NCCCCCCN DB03260 [0,2,0,0,0,0|2,0,0]=4
36  B7R0.1  OCCCCCCBr DB04637 [0,2,0,0,0,0|2,0,0]=4
37  B7R0.1  OCCCCCCO DB02210 [0,2,0,0,0,0|2,0,0]=4
38  B7R0.1  OCCSSCCO DB02486 [0,2,0,0,0,0|0,0,0]=2
39  B7R1.1  NC[C@@H]1CCCN1 DB03253 [0,1,0,1,0,0|2,0,0]=4
40  B7R1.3  O=C1CCCCC1 DB02060 [0,1,0,1,0,0|2,0,0]=4
41  B7R1.3  OC1CCCCC1 DB03703 [0,1,0,1,0,0|2,0,0]=4
42  B7R1.3  [C@@H]1(N)CCC=NC1 DB04504 [0,1,0,1,0,0|2,0,0]=4
43  B7R1.3  [NH3+]C1CCCCC1 DB02995 [0,1,0,1,0,0|2,0,0]=4