0  B4R0.1  C(C(=O)O)F NPA003759 [0,0,0,0,0,0|2,0,1]=3
1  B4R0.1  C=CC(=C)C NPA031266 [0,0,0,0,0,0|2,0,0]=2
2  B4R0.1  C=CC(=N)N NPA016478 [0,0,0,0,0,0|3,0,0]=3
3  B4R0.1  CC(=O)C=O NPA018043 [0,0,0,0,0,0|0,0,0]=0
4  B5R0.1  C(CO)C(=O)O NPA014979 [0,1,0,0,0,0|1,0,2]=4
5  B5R0.1  C=C(C)CCO NPA031414 [0,1,0,0,0,0|1,0,2]=4
6  B5R0.1  CC(=CCO)C NPA031413 [0,1,0,0,0,0|1,0,1]=3
7  B5R0.5  CC(C(=O)C)O NPA007460 [0,1,0,0,0,0|0,0,2]=3
8  B6R0.1  CCCC(=O)CC NPA012016 [0,2,0,0,0,0|1,0,1]=4
9  B6R0.3  CC(CO)C(=O)O NPA011485 [0,2,0,0,0,0|0,0,2]=4
10  B6R0.4  C/C=C/C=C(C)C NPA005636 [0,2,0,0,0,0|2,0,0]=4
11  B6R0.4  CC(=O)CCSC NPA010578 [0,2,0,0,0,0|0,1,1]=4
12  B6R0.4  CC(C)CNC=O NPA028553 [0,2,0,0,0,0|1,0,1]=4
13  B6R0.4  CS/C=C/C(=O)O NPA005711 [0,2,0,0,0,0|1,1,0]=4
14  B6R0.7  CC(=O)C(C)(C)O NPA017196 [0,2,0,0,0,0|0,0,2]=4
15  B6R1.8  C1C(C1=O)CO NPA020911 [0,1,0,1,0,0|0,0,2]=4
16  B6R1.12  C=C1C(C1=O)O NPA015715 [0,1,0,1,0,0|1,0,0]=3