0  B6R0.1  CCNC(=O)OC DB03919 [0,0,0,0,0,0|2,0,1]=3
1  B6R0.1  CCOC(=O)NC DB02856 [0,0,0,0,0,0|1,0,1]=2
2  B5R0.1  C=C(Br)CCO DB04592 [1,0,0,0,0,0|3,0,0]=4
3  B5R0.1  CC(=O)CCO DB04094 [1,0,0,0,0,0|2,0,1]=4
4  B5R0.1  CCCC(=O)O DB03568 [1,0,0,0,0,0|2,0,0]=3
5  B5R0.1  CCCC(N)=O DB02121 [1,0,0,0,0,0|2,0,0]=3
6  B5R0.1  CCSC(=N)N DB02234 [1,0,0,0,0,0|2,1,0]=4
7  B5R0.1  CC[Se]C(=N)N DB02589 [1,0,0,0,0,0|2,1,0]=4
8  B5R0.1  CSCC(=O)[O-] DB03517 [1,0,0,0,0,0|3,0,0]=4
9  B5R0.1  C[Se]CC(=O)[O-] DB03098 [1,0,0,0,0,0|3,0,0]=4
10  B5R0.1  C[Te]CC(=O)[O-] DB01918 [1,0,0,0,0,0|3,0,0]=4
11  B5R0.1  C\C=C\C(=O)O DB02074 [1,0,0,0,0,0|2,0,1]=4
12  B5R0.1  NCCC(=O)O DB03107 [1,0,0,0,0,0|3,0,0]=4
13  B5R0.1  O=C(O)CCO DB03688 [1,0,0,0,0,0|3,0,0]=4
14  B5R0.2  CCCCC=O DB01919 [1,0,0,0,0,0|2,0,1]=4
15  B5R0.2  CCOCCO DB02249 [1,0,0,0,0,0|1,0,2]=4
16  B5R0.3  O=C(CO)CO DB01775 [1,0,0,0,0,0|2,0,1]=4
17  B7R0.5  C(C)=CC(=O)C(=O)O DB02005 [0,1,0,0,0,0|2,0,1]=4
18  B7R0.7  CCO[PH](=O)OCC DB02811 [0,1,0,0,0,0|1,0,2]=4
19  B7R1.3  O=C1CCCCC1 DB02060 [0,0,0,1,0,0|1,0,2]=4
20  B7R1.4  N[C@@H]1CCOC1=O DB02624 [0,0,0,1,0,0|1,0,1]=3
21  B4R0.1  C=C(Br)CO DB04320 [2,0,0,0,0,0|2,0,0]=4
22  B4R0.1  C=CC(=O)O DB02579 [2,0,0,0,0,0|0,0,0]=2
23  B4R0.1  CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,0]=3
24  B4R0.1  CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|1,0,1]=4
25  B4R0.1  CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,0]=3
26  B4R0.1  NCC(N)=O DB03636 [2,0,0,0,0,0|2,0,0]=4
27  B4R0.1  O=C(O)CBr DB02198 [2,0,0,0,0,0|1,0,1]=4
28  B4R0.1  O=CC(=O)O DB04343 [2,0,0,0,0,0|1,0,0]=3
29  B4R0.2  C\C=C\C=O DB04381 [2,0,0,0,0,0|1,0,1]=4
30  B6R0.2  CC(C)CC(=O)O DB03750 [1,1,0,0,0,0|2,0,0]=4
31  B6R0.3  CCC(=O)C(=O)O DB04553 [1,1,0,0,0,0|2,0,0]=4
32  B6R0.3  CC[C@@H](C)C(=O)O DB03741 [1,1,0,0,0,0|2,0,0]=4
33  B6R0.3  CC[C@@H](N)C(=O)O DB04454 [1,1,0,0,0,0|2,0,0]=4
34  B6R0.4  CCCCC(=O)O DB02406 [1,1,0,0,0,0|2,0,0]=4
35  B6R0.4  CCCOC(C)=O DB01670 [1,1,0,0,0,0|0,0,1]=3
36  B6R0.5  CCOP(=O)(O)O DB03822 [1,1,0,0,0,0|2,0,0]=4
37  B8R0.23  CC(C)CC(=O)C(=O)O DB03229 [0,2,0,0,0,0|2,0,0]=4
38  B8R0.8  CSCCC(=O)C(=O)O DB02238 [0,2,0,0,0,0|2,0,0]=4
39  B6R1.2  O=C1CCCO1 DB04699 [1,0,0,1,0,0|0,0,1]=3
40  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [0,1,0,1,0,0|0,0,0]=2
41  B8R1.4  O=C1CCNC(=O)N1 DB01849 [0,1,0,1,0,0|2,0,0]=4