0  B5R0.1  C(CO)C(=O)O NPA014979 [1,0,0,0,0,0|3,0,0]=4
1  B5R0.1  C=C(C)CCO NPA031414 [1,0,0,0,0,0|1,0,1]=3
2  B5R0.1  CC(=CCO)C NPA031413 [1,0,0,0,0,0|1,0,1]=3
3  B5R0.4  CC(C)(CS)S NPA010607 [1,0,0,0,0,0|2,1,0]=4
4  B6R1.8  C1C(C1=O)CO NPA020911 [1,0,0,1,0,0|2,0,0]=4