0  B4R0.1  C(C(=O)O)F NPA003759 [0,0,0,0,0,0|3,0,1]=4
1  B4R0.1  C=CC(=C)C NPA031266 [0,0,0,0,0,0|1,0,3]=4
2  B4R0.1  CC(=O)C=O NPA018043 [0,0,0,0,0,0|2,0,2]=4
3  B3R0.2  C(Br)(I)I NPA000624 [1,0,0,0,0,0|3,0,0]=4
4  B3R0.2  C(Cl)(Cl)Br NPA019574 [1,0,0,0,0,0|3,0,0]=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  B5R0.4  CC(C)(CS)S NPA010607 [0,1,0,0,0,0|1,0,0]=2
8  B5R0.5  CC(C(=O)C)O NPA007460 [0,1,0,0,0,0|2,0,1]=4
9  B5R0.5  CC(C(C)O)O NPA007728 [0,1,0,0,0,0|2,0,0]=3
10  B2R0.1  C(Cl)I NPA015698 [2,0,0,0,0,0|2,0,0]=4
11  B6R0.3  CC(CO)C(=O)O NPA011485 [0,2,0,0,0,0|1,0,1]=4
12  B6R0.4  CC(C)CNC=O NPA028553 [0,2,0,0,0,0|0,0,0]=2
13  B6R0.4  C[C@H](CCSC)O NPA014443 [0,2,0,0,0,0|2,0,0]=4
14  B6R0.7  CC(=O)C(C)(C)O NPA017196 [0,2,0,0,0,0|1,0,1]=4
15  B6R1.8  C1C(C1=O)CO NPA020911 [0,1,0,1,0,0|1,0,1]=4