0  B7R0.6  C(#CC(=O)N)C(=O)N NPA005011 [0,0,0,0,0,0|2,0,2]=4
1  B7R0.6  C(C(=O)O)N[N+](=O)[O-] NPA021235 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.6  C(C[N+](=O)[O-])C(=O)O NPA007876 [0,0,0,0,0,0|1,0,1]=2
3  B6R0.4  C#CNCC(=O)O NPA021067 [1,0,0,0,0,0|2,0,1]=4
4  B6R0.4  CC(=O)CCSC NPA010578 [1,0,0,0,0,0|3,0,0]=4
5  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [0,1,0,0,0,0|2,0,0]=3
6  B8R0.23  C([C@@H](C(=O)O)N)C(Cl)Cl NPA020591 [0,1,0,0,0,0|2,0,1]=4
7  B8R0.23  C=C(C[C@@H](C(=O)O)N)Cl NPA019261 [0,1,0,0,0,0|2,0,0]=3
8  B8R0.23  C=C([C@@H](CC(=O)N)O)Cl NPA024201 [0,1,0,0,0,0|3,0,0]=4
9  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [0,1,0,0,0,0|2,0,1]=4
10  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [0,0,0,0,0,1|3,0,0]=4
11  B5R0.1  C(CO)C(=O)O NPA014979 [2,0,0,0,0,0|0,0,0]=2
12  B5R0.1  C=C(C)CCO NPA031414 [2,0,0,0,0,0|2,0,0]=4
13  B7R0.4  NCCNCC(=O)O NPA027411 [1,1,0,0,0,0|1,0,1]=4
14  B7R0.5  C#CC[C@@H](C(=O)O)N NPA021207 [1,1,0,0,0,0|1,0,1]=4
15  B7R0.5  CNC[C@H](N)C(=O)O NPA027398 [1,1,0,0,0,0|2,0,0]=4
16  B9R0.7  C(C[P+](=O)O)C(C(=O)O)N NPA020970 [0,1,0,0,0,1|1,0,0]=3
17  B9R0.7  C=C(CCC(C(=O)O)N)Cl NPA015178 [0,1,0,0,0,1|2,0,0]=4
18  B9R0.7  CC(=C)CC[C@@H](C(=O)O)N NPA018628 [0,1,0,0,0,1|2,0,0]=4
19  B9R0.7  CC(COC(=O)C)C(=O)O NPA012519 [0,1,0,0,0,1|1,0,0]=3
20  B9R0.53  C/C(=C/C(=O)O)/CC(=O)O NPA001141 [0,1,0,0,0,1|0,0,1]=3
21  B9R0.56  CC(=O)NCCP(=O)(O)O NPA004320 [0,1,0,0,0,1|2,0,0]=4
22  B9R0.42  C#C[C@H](C[C@H](C(=O)O)N)O NPA006898 [0,2,0,0,0,0|1,0,1]=4
23  B9R0.42  C([C@@H](C(=O)O)N)C(=O)CO NPA014334 [0,2,0,0,0,0|0,0,0]=2
24  B9R0.42  N[C@@H](C[N+](=NO)[O-])C(=O)O NPA033052 [0,2,0,0,0,0|1,0,1]=4
25  B7R1.12  CC1=NC1C(=O)O NPA021211 [1,0,0,1,0,0|2,0,0]=4
26  B9R1.35  C[C@@H]([C@H]1CCC(=O)O1)O NPA001683 [0,0,0,1,0,1|1,0,1]=4
27  B9R1.198  CS1(=O)(CCC(=O)O1)O NPA017850 [0,1,0,1,0,0|1,0,0]=3