0  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [0,0,0,0,0,0|1,0,1]=2
1  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [0,0,0,0,0,0|1,0,0]=1
2  B6R0.3  CC(CO)C(=O)O NPA011485 [1,0,0,0,0,0|2,0,0]=3
3  B8R0.2  C#C[C@@H](O)[C@H](N)C(=O)O NPA032759 [0,1,0,0,0,0|1,0,1]=3
4  B8R0.2  C(C(C(C(=O)N)O)O)O NPA014958 [0,1,0,0,0,0|3,0,0]=4
5  B8R0.2  C(C(C(C(=O)O)N)O)Cl NPA014892 [0,1,0,0,0,0|1,0,0]=2
6  B8R0.2  C([C@H]([C@@H](C(=O)O)N)O)F NPA020062 [0,1,0,0,0,0|1,0,0]=2
7  B8R0.2  C([C@H]([C@@H](C(=O)O)N)O)O NPA007501 [0,1,0,0,0,0|1,0,0]=2
8  B8R0.2  CC(C)C(C)C(=O)OC NPA018449 [0,1,0,0,0,0|1,0,0]=2
9  B8R0.18  [C-]#[N+][C@H](C(=O)O)C(C)C NPA036417 [0,1,0,0,0,0|0,0,1]=2
10  B8R0.37  CC(=O)[C@@](C)(O)[C@@H](C)O NPA033602 [0,1,0,0,0,0|3,0,0]=4
11  B8R0.37  CC(=O)[C@](C)(O)[C@@H](C)O NPA033603 [0,1,0,0,0,0|3,0,0]=4
12  B8R1.31  C1[C@@H]([C@@H](O1)C(=O)O)N NPA020900 [0,0,0,1,0,0|2,0,0]=3
13  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [0,0,0,1,0,0|0,0,0]=1
14  B8R0.23  C([C@@H](C(=O)O)N)C(Cl)Cl NPA020591 [0,0,0,0,0,1|2,0,0]=3
15  B8R0.23  C=C(C[C@@H](C(=O)O)N)Cl NPA019261 [0,0,0,0,0,1|1,0,2]=4
16  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,0,0,0,0,1|1,0,0]=2
17  B5R0.1  C(CO)C(=O)O NPA014979 [2,0,0,0,0,0|1,0,0]=3
18  B5R0.5  CC(C(=O)C)O NPA007460 [2,0,0,0,0,0|2,0,0]=4
19  B5R0.5  CC(C(C)O)O NPA007728 [2,0,0,0,0,0|2,0,0]=4
20  B7R0.9  CC(=O)CC(C)(C)O NPA001228 [1,1,0,0,0,0|1,0,0]=3
21  B7R0.5  C#CC[C@@H](C(=O)O)N NPA021207 [1,1,0,0,0,0|0,0,1]=3
22  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [1,1,0,0,0,0|0,0,0]=2
23  B7R0.10  CCC(C)C(=O)OC NPA003841 [1,1,0,0,0,0|1,0,0]=3
24  B9R0.42  C#C[C@H](C[C@H](C(=O)O)N)O NPA006898 [0,1,0,0,0,1|1,0,1]=4
25  B9R0.42  C([C@@H](C(=O)O)N)C(=O)CO NPA014334 [0,1,0,0,0,1|1,0,1]=4
26  B7R1.12  CC1=NC1C(=O)O NPA021211 [1,0,0,1,0,0|1,0,1]=4
27  B7R1.4  C1[C@H](C(=O)NO1)N NPA001237 [1,0,0,1,0,0|2,0,0]=4
28  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)N NPA013918 [0,0,0,1,0,1|1,0,0]=3
29  B9R1.35  CC(C)[C@H]1C=CC(=O)N1 NPA036371 [0,0,0,1,0,1|2,0,0]=4
30  B9R1.112  C1CC1C[C@@H](C(=O)O)N NPA001566 [0,0,0,1,0,1|0,0,0]=2
31  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O NPA015665 [0,1,0,1,0,0|2,0,0]=4
32  B9R1.27  C[C@@H]1CCC(=O)[C@@H]1CO NPA015750 [0,1,0,1,0,0|2,0,0]=4
33  B7R0.6  CC(=O)NCC(C)C NPA028554 [1,0,0,0,0,1|1,0,0]=3
34  B7R0.6  CC(C)CNS(=O)C NPA028557 [1,0,0,0,0,1|2,0,0]=4
35  B7R0.6  CC(C)COC(=O)C NPA006632 [1,0,0,0,0,1|1,0,0]=3
36  B9R0.7  CC(=C)CC[C@@H](C(=O)O)N NPA018628 [0,0,0,0,0,2|0,0,2]=4