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-])c1cc(NC(=O)c2cc(S3=Nc4ccccc4O3)c3ccccc3c2O)cc(C(=O)[O-])c1 ZINC000016525372 526350375 /nfs/dbraw/zinc/35/03/75/526350375.db2.gz ZOTPFDWRSRPKCU-UHFFFAOYSA-N -2 2 488.477 4.994 40 0 JJABLL