0  B8R0.23  C([C@@H](C(=O)O)N)C(Cl)Cl NPA020591 [0,0,0,0,0,0|2,0,0]=2
1  B8R0.23  C=C(C[C@@H](C(=O)O)N)Cl NPA019261 [0,0,0,0,0,0|1,0,2]=3
2  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,0,0,0,0,0|1,0,0]=1
3  B7R0.5  C#CC[C@@H](C(=O)O)N NPA021207 [1,0,0,0,0,0|0,0,2]=3
4  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [1,0,0,0,0,0|1,0,0]=2
5  B7R0.6  C(C[N+](=O)[O-])C(=O)O NPA007876 [1,0,0,0,0,0|3,0,0]=4
6  B7R0.6  CC(=O)NCC(C)C NPA028554 [1,0,0,0,0,0|2,0,0]=3
7  B7R0.6  CC(C)CNS(=O)C NPA028557 [1,0,0,0,0,0|3,0,0]=4
8  B7R0.6  CC(C)COC(=O)C NPA006632 [1,0,0,0,0,0|2,0,0]=3
9  B9R0.42  C#C[C@H](C[C@H](C(=O)O)N)O NPA006898 [0,1,0,0,0,0|1,0,1]=3
10  B9R0.42  C([C@@H](C(=O)O)N)C(=O)CO NPA014334 [0,1,0,0,0,0|1,0,1]=3
11  B9R0.42  N[C@@H](C[N+](=NO)[O-])C(=O)O NPA033052 [0,1,0,0,0,0|3,0,0]=4
12  B9R1.35  C1[C@H](CN[C@@H]1C(=O)O)N NPA013918 [0,0,0,1,0,0|1,0,0]=2
13  B9R1.112  C1CC1C[C@@H](C(=O)O)N NPA001566 [0,0,0,1,0,0|0,0,0]=1
14  B7R0.16  CC(C)C(=O)C(=O)O NPA002663 [0,0,0,0,1,0|1,0,1]=3
15  B7R0.16  CC(C)C(C(=O)O)O NPA012171 [0,0,0,0,1,0|1,0,0]=2
16  B9R0.7  C(C[P+](=O)O)C(C(=O)O)N NPA020970 [0,0,0,0,0,1|3,0,0]=4
17  B9R0.7  C=C(CCC(C(=O)O)N)Cl NPA015178 [0,0,0,0,0,1|1,0,2]=4
18  B9R0.7  CC(=C)CC[C@@H](C(=O)O)N NPA018628 [0,0,0,0,0,1|0,0,2]=3
19  B9R0.7  CC(COC(=O)C)C(=O)O NPA012519 [0,0,0,0,0,1|2,0,1]=4
20  B6R0.4  CC(=O)CCSC NPA010578 [2,0,0,0,0,0|2,0,0]=4
21  B6R0.4  CC(C)CNC=O NPA028553 [2,0,0,0,0,0|1,0,0]=3
22  B6R0.3  CC(CO)C(=O)O NPA011485 [2,0,0,0,0,0|2,0,0]=4
23  B8R0.8  C(/C=C\Cl)[C@@H](C(=O)O)N NPA006525 [1,1,0,0,0,0|0,0,2]=4
24  B8R0.8  C(CC(C(=O)O)N)CO NPA002021 [1,1,0,0,0,0|0,0,0]=2
25  B8R0.8  CO/C=C/[C@@H](C(=O)O)N NPA017445 [1,1,0,0,0,0|0,0,2]=4
26  B8R0.9  CCC(C)CCC(=O)C NPA008166 [1,1,0,0,0,0|1,0,0]=3
27  B8R0.18  [C-]#[N+][C@H](C(=O)O)C(C)C NPA036417 [0,1,0,0,1,0|0,0,1]=3
28  B10R0.82  CN=[N+](CC[C@@H](C(=O)O)N)[O-] NPA004297 [0,1,0,0,0,1|2,0,0]=4
29  B10R0.92  C[As](=O)(O)CCC(N)C(=O)O NPA032834 [0,1,0,0,0,1|2,0,0]=4
30  B10R0.70  CC(C)CC(CO)NC(=O)C NPA002829 [0,1,0,0,0,1|2,0,0]=4
31  B8R1.77  CC1([C@H](N1)C(=O)O)C NPA018555 [1,0,0,1,0,0|1,0,0]=3
32  B10R1.58  CC(C)[C@@H]1C=C(C(=O)O1)N NPA035065 [0,0,0,1,0,1|0,0,1]=3
33  B10R1.278  CC(C1CC1)[C@@H](C(=O)O)N NPA002146 [0,1,0,1,0,0|0,0,0]=2
34  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [1,0,0,0,0,1|1,0,1]=4
35  B8R0.28  CC(=O)NCCC(C)C NPA028556 [1,0,0,0,0,1|1,0,0]=3
36  B8R0.28  CC(C)CCCC(=O)C NPA012789 [1,0,0,0,0,1|1,0,0]=3
37  B8R0.28  CC(C)CCNS(=O)C NPA028558 [1,0,0,0,0,1|2,0,0]=4