0  B6R0.3  CC(C)[C@H](N)CO DB04383 [0,0,0,0,0,0|3,0,1]=4
1  B6R0.3  CCC(=O)C(=O)O DB04553 [0,0,0,0,0,0|3,0,1]=4
2  B5R0.1  CC(C)CCO DB02296 [1,0,0,0,0,0|2,0,1]=4
3  B5R0.3  O=C(CO)CO DB01775 [1,0,0,0,0,0|3,0,0]=4
4  B5R0.5  C=C(N)C(=O)O DB02688 [1,0,0,0,0,0|1,0,2]=4
5  B5R0.5  CC(=O)C(N)=O DB03578 [1,0,0,0,0,0|2,0,1]=4
6  B5R0.5  CC(=O)[C@@H](C)O DB04364 [1,0,0,0,0,0|1,0,0]=2
7  B5R0.5  CC(=O)[C@H](C)O DB02788 [1,0,0,0,0,0|1,0,0]=2
8  B5R0.5  CC(=[NH2+])C(=O)[O-] DB04212 [1,0,0,0,0,0|1,0,2]=4
9  B5R0.5  CC(C)C(=O)O DB02531 [1,0,0,0,0,0|0,0,0]=1
10  B5R0.5  C[C@@H](N)C(=O)O DB01786 [1,0,0,0,0,0|1,0,0]=2
11  B5R0.5  C[C@@H](O)C(=O)O DB03066 [1,0,0,0,0,0|1,0,0]=2
12  B5R0.5  C[C@H](O)[C@@H](C)O DB02418 [1,0,0,0,0,0|1,0,2]=4
13  B5R0.5  NC(=O)C(=O)O DB03940 [1,0,0,0,0,0|2,0,1]=4
14  B5R0.5  O=C(O)C(=O)O DB03902 [1,0,0,0,0,0|2,0,1]=4
15  B7R0.16  CC(C)C(=O)C(=O)O DB04074 [0,1,0,0,0,0|2,0,0]=3
16  B7R1.4  N[C@@H]1CCOC1=O DB02624 [0,0,0,1,0,0|1,0,0]=2
17  B7R0.2  CC(C)NC(=N)NO DB02143 [0,0,0,0,0,1|3,0,0]=4
18  B4R0.1  C=CC(=O)O DB02579 [2,0,0,0,0,0|0,0,2]=4
19  B4R0.1  CC(=O)C=O DB03587 [2,0,0,0,0,0|1,0,1]=4
20  B4R0.1  CC(=O)O[Hg+] DB02176 [2,0,0,0,0,0|1,0,0]=3
21  B4R0.1  CCC(N)=O DB04161 [2,0,0,0,0,0|1,0,0]=3
22  B4R0.1  CC[C@@H](C)O DB02606 [2,0,0,0,0,0|0,0,2]=4
23  B4R0.1  CN(C)C=O DB01844 [2,0,0,0,0,0|1,0,0]=3
24  B4R0.1  C[C@@H](O)CO DB02159 [2,0,0,0,0,0|1,0,1]=4
25  B4R0.1  C[C@H](O)C=O DB03776 [2,0,0,0,0,0|1,0,0]=3
26  B4R0.1  C[C@H](O)CO DB04349 [2,0,0,0,0,0|1,0,1]=4
27  B4R0.1  NCC(N)=O DB03636 [2,0,0,0,0,0|2,0,0]=4
28  B4R0.1  O=C(O)CBr DB02198 [2,0,0,0,0,0|1,0,0]=3
29  B4R0.1  O=CC(=O)O DB04343 [2,0,0,0,0,0|1,0,1]=4
30  B4R0.2  COCCO DB02806 [2,0,0,0,0,0|1,0,1]=4
31  B6R0.2  CC(C)C[C@@H](C)N DB02107 [1,1,0,0,0,0|1,0,1]=4
32  B6R0.7  CC(C)(N)C(=O)O DB02952 [1,1,0,0,0,0|0,0,0]=2
33  B8R0.2  CC(C)[C@@H](N)C(=O)NO DB02697 [0,1,0,0,0,1|2,0,0]=4
34  B8R0.23  CC(C)CC(=O)C(=O)O DB03229 [0,1,0,0,0,1|2,0,0]=4
35  B8R1.4  C[C@H]1CC=CC(=O)O1 DB14121 [0,0,0,1,0,1|1,0,1]=4