0  B8R0.9  CCC(=O)CCC(=O)C NPA013026 [0,0,0,0,0,0|1,0,0]=1
1  B8R0.9  CCC(C)CCC(=O)C NPA008166 [0,0,0,0,0,0|2,0,1]=3
2  B7R0.6  C(C(=O)O)N[N+](=O)[O-] NPA021235 [1,0,0,0,0,0|3,0,0]=4
3  B7R0.6  C(C[N+](=O)[O-])C(=O)O NPA007876 [1,0,0,0,0,0|2,0,0]=3
4  B7R0.6  CC(=O)NCC(C)C NPA028554 [1,0,0,0,0,0|2,0,1]=4
5  B7R0.6  CC(C)COC(=O)C NPA006632 [1,0,0,0,0,0|2,0,1]=4
6  B9R0.42  C([C@@H](C(=O)O)N)C(=O)CO NPA014334 [0,1,0,0,0,0|3,0,0]=4
7  B6R0.1  CCCC(=O)CC NPA012016 [2,0,0,0,0,0|1,0,0]=3
8  B6R0.4  CC(=O)CCSC NPA010578 [2,0,0,0,0,0|0,1,0]=3
9  B8R0.28  CC(=O)CCC=C(C)C NPA031444 [1,1,0,0,0,0|1,0,0]=3
10  B8R0.28  CC(C)CCCC(=O)C NPA012789 [1,1,0,0,0,0|1,0,1]=4
11  B8R0.23  C=C(C[C@@H](C(=O)O)N)Cl NPA019261 [1,1,0,0,0,0|1,0,1]=4
12  B8R0.23  CC(C)CC(C(=O)O)O NPA011422 [1,1,0,0,0,0|1,0,1]=4
13  B8R0.2  CC(C)C(C)C(=O)OC NPA018449 [0,1,0,0,1,0|1,0,1]=4
14  B10R0.26  CCOC(=O)C[C@@H](O)C(=O)O NPA032318 [0,2,0,0,0,0|1,0,0]=3
15  B8R1.1  CCC1CC(=O)OC1 NPA004245 [1,0,0,1,0,0|0,0,1]=3
16  B8R1.22  C1CC=CCC(=O)C1 NPA016451 [1,0,0,1,0,0|1,0,1]=4
17  B8R1.50  CN1C(=O)CNC1=O NPA006307 [1,0,0,1,0,0|2,0,0]=4
18  B10R1.14  COC(=O)[C@H]1CCC(=O)N1 NPA019365 [0,0,0,1,0,1|1,0,0]=3
19  B10R1.64  CC(=O)NC1CCOC1=O NPA026172 [0,1,0,1,0,0|1,0,0]=3
20  B10R1.64  CC(=O)N[C@H]1CCSC1=O NPA020889 [0,1,0,1,0,0|1,1,0]=4
21  B10R1.71  C1CC(=O)NCC(=O)NC1 NPA017155 [0,1,0,1,0,0|2,0,0]=4
22  B10R0.55  CC(=O)OCCCC(=O)C=C NPA019238 [0,0,0,0,0,2|1,0,1]=4
23  B10R0.55  CC(=O)OCCCC(=O)CO NPA004151 [0,0,0,0,0,2|2,0,0]=4