0  B4R0.1  CC(=O)NO DB00551 [1,0,0,0,0,0|2,0,0]=3
1  B4R0.1  CCC(=O)O DB03766 [1,0,0,0,0,0|1,0,0]=2
2  B4R0.1  ClC=C(Cl)Cl DB13323 [1,0,0,0,0,0|3,0,0]=4
3  B4R0.1  NC(=O)NO DB01005 [1,0,0,0,0,0|3,0,0]=4
4  B4R0.1  NCC(=O)O DB00145 [1,0,0,0,0,0|2,0,0]=3
5  B4R0.1  NCC(=O)[O-] DB11189 [1,0,0,0,0,0|2,0,0]=3
6  B4R0.1  NCC(=O)[O-] DB11200 [1,0,0,0,0,0|2,0,0]=3
7  B4R0.1  NCC(=O)[O-] DB11210 [1,0,0,0,0,0|2,0,0]=3
8  B4R0.1  O=C(O)CO DB03085 [1,0,0,0,0,0|2,0,0]=3
9  B3R0.1  CCCO DB03175 [2,0,0,0,0,0|0,0,2]=4
10  B3R0.2  CC(=O)O DB03166 [2,0,0,0,0,0|1,0,0]=3
11  B3R0.2  CC(=O)[O-] DB00258 [2,0,0,0,0,0|1,0,0]=3
12  B3R0.2  CC(=O)[O-] DB09395 [2,0,0,0,0,0|1,0,0]=3
13  B3R0.2  CC(=O)[O-] DB09409 [2,0,0,0,0,0|1,0,0]=3
14  B3R0.2  CC(=O)[O-] DB13996 [2,0,0,0,0,0|1,0,0]=3
15  B3R0.2  CS(C)=O DB01093 [2,0,0,0,0,0|1,0,1]=4
16  B3R0.2  NC(N)=O DB03904 [2,0,0,0,0,0|2,0,0]=4
17  B3R0.2  N[14C](N)=O DB09513 [2,0,0,0,0,0|2,0,0]=4
18  B3R0.2  O=C([O-])O DB01390 [2,0,0,0,0,0|2,0,0]=4
19  B3R0.2  O=C([O-])O DB11098 [2,0,0,0,0,0|2,0,0]=4
20  B3R0.2  O=C([O-])[O-] DB06724 [2,0,0,0,0,0|2,0,0]=4
21  B3R0.2  O=C([O-])[O-] DB06792 [2,0,0,0,0,0|2,0,0]=4
22  B3R0.2  O=C([O-])[O-] DB09460 [2,0,0,0,0,0|2,0,0]=4
23  B3R0.2  O=C([O-])[O-] DB09481 [2,0,0,0,0,0|2,0,0]=4
24  B3R0.2  O=C([O-])[O-] DB13322 [2,0,0,0,0,0|2,0,0]=4
25  B3R0.2  O=C([O-])[O-] DB13977 [2,0,0,0,0,0|2,0,0]=4
26  B5R0.5  CC(=O)C(=O)O DB00119 [1,1,0,0,0,0|1,0,0]=3
27  B5R0.5  CC(O)C(=O)O DB04398 [1,1,0,0,0,0|1,0,0]=3
28  B5R0.5  CC(O)C(=O)[O-] DB06768 [1,1,0,0,0,0|1,0,0]=3
29  B5R0.5  CC(O)C(=O)[O-] DB13231 [1,1,0,0,0,0|1,0,0]=3
30  B5R0.5  C[C@H](N)C(=O)O DB00160 [1,1,0,0,0,0|1,0,0]=3
31  B5R0.5  O=C(O)C(Cl)Cl DB08809 [1,1,0,0,0,0|2,0,0]=4
32  B5R1.2  O=C1CCO1 DB09348 [1,0,0,1,0,0|1,0,0]=3
33  B7R1.4  CN1C=CNC1=S DB00763 [0,1,0,1,0,0|1,1,0]=4
34  B7R1.4  N[C@@H]1CONC1=O DB00260 [0,1,0,1,0,0|2,0,0]=4