0  B5R0.1  C(CO)C(=O)O NPA014979 [0,1,0,0,0,0|1,0,0]=2
1  B5R0.1  C=C(C)CCO NPA031414 [0,1,0,0,0,0|2,0,0]=3
2  B5R0.1  CC(=CCO)C NPA031413 [0,1,0,0,0,0|2,0,1]=4
3  B5R0.2  CSCSSC NPA000854 [0,1,0,0,0,0|2,1,0]=4
4  B2R0.1  C(Cl)I NPA015698 [2,0,0,0,0,0|2,0,0]=4
5  B4R0.1  C(C(=O)O)F NPA003759 [1,1,0,0,0,0|1,0,0]=3
6  B4R0.1  C=CC(=C)C NPA031266 [1,1,0,0,0,0|0,0,2]=4
7  B4R0.1  CC(=O)C=O NPA018043 [1,1,0,0,0,0|0,0,1]=3
8  B6R0.1  CCCC(=O)CC NPA012016 [0,2,0,0,0,0|0,0,0]=2
9  B6R0.3  CC(CO)C(=O)O NPA011485 [0,2,0,0,0,0|1,0,0]=3
10  B6R0.4  C#CNCC(=O)O NPA021067 [0,2,0,0,0,0|0,0,2]=4
11  B6R0.4  C(CN[N+](=O)[O-])N NPA015866 [0,2,0,0,0,0|2,0,0]=4
12  B6R0.4  CC(=O)CCSC NPA010578 [0,2,0,0,0,0|0,0,0]=2
13  B6R0.4  CC(C)CNC=O NPA028553 [0,2,0,0,0,0|0,0,0]=2
14  B6R0.4  CS/C=C/C(=O)O NPA005711 [0,2,0,0,0,0|0,0,2]=4
15  B6R0.4  C[C@H](CCSC)O NPA014443 [0,2,0,0,0,0|0,0,2]=4
16  B6R1.8  C1C(C1=O)CO NPA020911 [0,1,0,1,0,0|0,0,0]=2
17  B6R1.1  C1CSCCS1 NPA010361 [0,1,0,1,0,0|0,1,1]=4
18  B6R1.12  C=C1C(C1=O)O NPA015715 [0,1,0,1,0,0|0,0,2]=4