0  B7R0.3  CCCCC(O)CO DB14108 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.3  [C@@H](N)(C=O)CCCC DB03241 [0,0,0,0,0,0|3,0,1]=4
2  B6R0.1  CCNC(=O)OC DB03919 [1,0,0,0,0,0|1,0,0]=2
3  B6R0.1  CCOC(=O)NC DB02856 [1,0,0,0,0,0|2,0,0]=3
4  B6R0.4  CCCCB(O)O DB02664 [1,0,0,0,0,0|1,0,1]=3
5  B6R0.4  CCCCC(=O)O DB02406 [1,0,0,0,0,0|0,0,0]=1
6  B6R0.4  CCCOC(C)=O DB01670 [1,0,0,0,0,0|1,0,0]=2
7  B8R0.6  CCCCNC(=N)NO DB02727 [0,1,0,0,0,0|3,0,0]=4
8  B8R0.8  CSCCC(=O)C(=O)O DB02238 [0,1,0,0,0,0|3,0,0]=4
9  B5R0.1  CC(=O)CCO DB04094 [2,0,0,0,0,0|1,0,0]=3
10  B5R0.1  CCCC(=O)O DB03568 [2,0,0,0,0,0|0,0,0]=2
11  B5R0.1  CCCC(N)=O DB02121 [2,0,0,0,0,0|1,0,0]=3
12  B5R0.1  CSCC(=O)[O-] DB03517 [2,0,0,0,0,0|1,0,1]=4
13  B5R0.1  CSC[S@](C)=O DB02311 [2,0,0,0,0,0|2,0,0]=4
14  B5R0.1  C[Se]CC(=O)[O-] DB03098 [2,0,0,0,0,0|1,0,1]=4
15  B5R0.1  C[Te]CC(=O)[O-] DB01918 [2,0,0,0,0,0|1,0,1]=4
16  B5R0.1  C\C=C\C(=O)O DB02074 [2,0,0,0,0,0|0,0,2]=4
17  B5R0.1  NCCC(=O)O DB03107 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.1  NOCC(=O)O DB02079 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.1  O=C(O)CCO DB03688 [2,0,0,0,0,0|1,0,0]=3
20  B5R0.2  CCCCC=O DB01919 [2,0,0,0,0,0|0,0,0]=2
21  B5R0.2  CCCCCN DB02045 [2,0,0,0,0,0|1,0,1]=4
22  B5R0.2  CCOCCO DB02249 [2,0,0,0,0,0|1,0,1]=4
23  B5R0.2  COCCOC DB01749 [2,0,0,0,0,0|1,0,0]=3
24  B5R0.2  OCCCCO DB01955 [2,0,0,0,0,0|1,0,1]=4
25  B5R0.2  [C-]#[N+]CCCC DB01826 [2,0,0,0,0,0|1,0,1]=4
26  B5R0.2  [NH3+]CCCCO DB02541 [2,0,0,0,0,0|1,0,1]=4
27  B7R0.7  CCO[PH](=O)OCC DB02811 [1,1,0,0,0,0|2,0,0]=4
28  B7R0.4  O=C(O)CCCCO DB04781 [1,1,0,0,0,0|0,0,0]=2
29  B7R0.4  [NH3+]CCCCC(=O)O DB02068 [1,1,0,0,0,0|0,0,0]=2
30  B7R0.6  CC(=O)CCC(=O)O DB02239 [1,1,0,0,0,0|0,0,1]=3
31  B7R0.6  CC(=O)CCC(=O)[O-] DB13800 [1,1,0,0,0,0|0,0,2]=4
32  B7R0.6  CC(=O)NCC(=O)O DB02713 [1,1,0,0,0,0|1,0,1]=4
33  B7R0.6  CC(C)CCC(=O)O DB03993 [1,1,0,0,0,0|0,0,0]=2
34  B7R0.8  CCCCP(=O)(O)O DB03999 [1,1,0,0,0,0|1,0,0]=3
35  B9R0.23  CC(C)C[C@H](N)C(=O)NO DB03308 [0,2,0,0,0,0|2,0,0]=4
36  B9R0.21  CCC(=O)CCC(C)(C)O DB03711 [0,2,0,0,0,0|1,0,0]=3
37  B7R1.3  O=C1CCCCC1 DB02060 [1,0,0,1,0,0|1,0,0]=3
38  B9R1.138  CN1C(=O)CCC1(C)C DB03968 [0,1,0,1,0,0|1,0,0]=3
39  B9R2.39  [C@H]12CC[C@H](C1)C(=O)C2 DB03540 [0,0,0,2,0,0|1,0,0]=3