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2  B8R0.2  C(C(C(C(=O)O)N)O)Cl NPA014892 [0,0,0,0,0,0|2,0,0]=2
3  B8R0.2  C([C@H]([C@@H](C(=O)O)N)O)F NPA020062 [0,0,0,0,0,0|2,0,0]=2
4  B8R0.2  C([C@H]([C@@H](C(=O)O)N)O)O NPA007501 [0,0,0,0,0,0|2,0,0]=2
5  B7R0.5  C#CC[C@@H](C(=O)O)N NPA021207 [1,0,0,0,0,0|0,0,2]=3
6  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [1,0,0,0,0,0|1,0,0]=2
7  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [1,0,0,0,0,0|1,0,1]=3
8  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [1,0,0,0,0,0|1,0,0]=2
9  B9R1.41  N[C@H]1CCC[C@H]1C(=O)O NPA015665 [0,0,0,1,0,0|2,0,0]=3
10  B9R0.42  C#C[C@H](C[C@H](C(=O)O)N)O NPA006898 [0,0,0,0,0,1|1,0,2]=4
11  B9R0.42  C([C@@H](C(=O)O)N)C(=O)CO NPA014334 [0,0,0,0,0,1|2,0,1]=4
12  B6R0.4  CC(=O)CCSC NPA010578 [2,0,0,0,0,0|2,0,0]=4
13  B6R0.3  CC(CO)C(=O)O NPA011485 [2,0,0,0,0,0|2,0,0]=4
14  B8R0.8  C(/C=C\Cl)[C@@H](C(=O)O)N NPA006525 [1,1,0,0,0,0|0,0,2]=4
15  B8R0.8  C(CC(C(=O)O)N)CO NPA002021 [1,1,0,0,0,0|0,0,0]=2
16  B8R0.8  CO/C=C/[C@@H](C(=O)O)N NPA017445 [1,1,0,0,0,0|0,0,2]=4
17  B8R0.18  [C-]#[N+][C@H](C(=O)O)C(C)C NPA036417 [1,1,0,0,0,0|0,0,1]=3
18  B8R1.1  CCC1CC(=O)OC1 NPA004245 [1,0,0,1,0,0|0,0,0]=2
19  B8R1.31  C1[C@@H]([C@@H](O1)C(=O)O)N NPA020900 [1,0,0,1,0,0|2,0,0]=4
20  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [1,0,0,1,0,0|0,0,0]=2
21  B10R1.118  C[C@H]1C=C(C(=O)O[C@@H]1C)C NPA003889 [0,0,0,1,0,1|1,0,1]=4
22  B10R1.278  CC(C1CC1)[C@@H](C(=O)O)N NPA002146 [0,1,0,1,0,0|0,0,0]=2
23  B10R1.256  C[C@H]1[C@@H]([C@H](OC1=O)C)CO NPA004010 [0,1,0,1,0,0|1,0,0]=3
24  B8R0.9  CCC(C)CCC(=O)C NPA008166 [1,0,0,0,0,1|1,0,0]=3