0  B16R1.36771  NCC1=C(C(=CN1)CCC(=O)O)CC(=O)O MCULE-4404037142 [0,0,0,0,0,0|0,0,0]=0
1  B14R1.9512  CC(=O)C1=C(NC=C1CCC(=O)O)C MCULE-8679118382 [1,0,0,0,1,0|1,0,0]=3