smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1cccc(-c2ccc(C=C3C(=O)[N-]C(=S)NC3=O)o2)c1O ZINC000040955370 519645072 /nfs/dbraw/zinc/64/50/72/519645072.db2.gz ZAIWQKCVNRDKLM-UHFFFAOYSA-N -2 1 358.331 1.265 10 10 FDCEML