0  B5R0.4  CSS(=O)(=O)C CB10056 [0,1,0,0,0,0|2,1,0]=4
1  B4R0.1  CC(=O)C=O AB00820 [1,1,0,0,0,0|2,0,0]=4
2  B4R0.1  CC(=O)NO AB01014 [1,1,0,0,0,0|2,0,0]=4