0 B3R0.1 NCCN HMDB0031225 [2,0,0,0,0,0|2,0,0]=4 1 B3R0.2 CC(O)=O HMDB0000042 [2,0,0,0,0,0|1,0,1]=4 2 B7R0.3 NCC(=O)OCCO HMDB0061148 [0,2,0,0,0,0|1,0,1]=4