0  B7R0.6  CC(=O)SCC(=O)O bc287vp1 [0,0,0,0,0,0|1,0,0]=1
1  B7R0.6  C\C(=C\CC(=O)O)\Cl bio046 [0,0,0,0,0,0|1,0,1]=2
2  B6R0.4  CNCCC(=O)O tv011 [1,0,0,0,0,0|1,0,0]=2
3  B8R0.9  C(CC(=O)O)C(=O)CN fd038 [0,1,0,0,0,0|0,0,0]=1
4  B8R0.9  CCC(=O)CCC(=O)C a157 [0,1,0,0,0,0|1,0,0]=2
5  B8R0.23  C(C(C(=O)O)N)S(=O)O ab022 [0,1,0,0,0,0|2,0,0]=3
6  B8R0.23  CC(=O)CC(=O)C(=O)O bio030 [0,1,0,0,0,0|0,0,1]=2
7  B8R1.3  C1C(=O)OCC(=O)N1 ct419 [0,0,0,1,0,0|1,0,0]=2
8  B8R1.3  C1CC(=O)NCC1=O f011fp1 [0,0,0,1,0,0|1,0,0]=2
9  B8R1.3  C1CS(=O)CCC1=O ct457 [0,0,0,1,0,0|2,0,0]=3
10  B6R0.2  C(=O)(N)NC(=O)O un298 [0,0,0,0,1,0|2,0,0]=3
11  B6R0.2  C(C(=O)N)C(=O)O tv001de1 [0,0,0,0,1,0|1,0,0]=2
12  B6R0.2  C(C(=O)N)[N+](=O)[O-] un212vp2 [0,0,0,0,1,0|2,0,1]=4
13  B8R0.28  C(CC(=O)N)CC(=O)O tv001de2 [0,0,0,0,0,1|1,0,0]=2
14  B8R0.28  CC(=O)CCCC(=O)C a158 [0,0,0,0,0,1|1,0,0]=2
15  B5R0.1  C(CO)C(=O)N a009de1 [2,0,0,0,0,0|1,0,0]=3
16  B5R0.1  C(CS)C(=O)N jmc099 [2,0,0,0,0,0|1,1,0]=4
17  B7R0.2  CN(CC(=O)O)N=O un210de4 [1,1,0,0,0,0|2,0,0]=4
18  B7R0.3  C=CCOC(=O)CS ll010 [1,1,0,0,0,0|2,0,0]=4
19  B7R0.4  CNCCCC(=O)O tv011de1 [1,1,0,0,0,0|0,0,1]=3
20  B7R0.5  COC[C@@H](C(=O)O)N un060 [1,1,0,0,0,0|1,0,0]=3
21  B9R0.1  CCC(=O)CCCC(=O)C a159 [0,1,0,0,0,1|1,0,0]=3
22  B9R0.7  CC(=C)C(=O)NCC(=O)O s051 [0,1,0,0,0,1|1,0,1]=4
23  B9R0.53  C\C(=C/C(=O)O)\CC(=O)O a168 [0,1,0,0,0,1|1,0,1]=4
24  B9R0.21  C(C(=O)COP(=O)(O)O)O ab008 [0,2,0,0,0,0|2,0,0]=4
25  B9R0.24  CCC(=O)CCC(=O)CC a020 [0,2,0,0,0,0|1,0,0]=3
26  B9R0.48  CCCC(C)CCC(=O)O a211 [0,2,0,0,0,0|1,0,1]=4
27  B9R0.48  C\C=C\C(=O)NCC(=O)O un370 [0,2,0,0,0,0|1,0,0]=3
28  B7R1.2  CC1CNC(=O)O1 a266de8 [1,0,0,1,0,0|1,0,1]=4
29  B9R1.35  C1C(NC(=O)O1)C(=O)O un295 [0,0,0,1,0,1|1,0,0]=3
30  B9R1.35  C1[C@H](N=C(S1)N)C(=O)O un369 [0,0,0,1,0,1|2,0,0]=4
31  B9R1.35  CC1=NC(CS1)C(=O)[O-] f012 [0,0,0,1,0,1|1,0,1]=4
32  B9R1.112  CC(CC1CC1)C(=O)O cic048fp4de22 [0,1,0,1,0,0|1,0,1]=4
33  B9R0.55  C(CCC(=O)O)CC(=O)N tv001 [0,0,0,0,0,2|1,0,0]=3
34  B9R0.55  CN(C)CCCCC(=O)O tv008 [0,0,0,0,0,2|2,0,0]=4