0  B12R2.2  C1CNC(C1)C2=CC=CN=C2 HMDB0001126 [0,0,0,1,0,0|3,0,0]=4
1  B13R2.3  C1CCC(NC1)C2=CN=CC=C2 HMDB0004350 [0,1,0,1,0,0|2,0,0]=4