0 B8R1.7 CC(=O)C1=CC=CS1 YMDB01431 [2,0,0,0,0,0|1,0,0]=3 1 B8R1.7 CC(=O)C1=NC=CS1 YMDB01581 [2,0,0,0,0,0|1,0,1]=4 2 B12R1.56 COC1=C(O)C=CC(C(C)=O)=C1 YMDB01631 [0,1,0,0,0,1|2,0,0]=4