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(-n2c(-c3ccccc3)cc3c2CCCC3)ccc1[S-] ZINC000039194356 213231893 /nfs/dbraw/zinc/23/18/93/213231893.db2.gz DTFZDOYGPBIKHH-UHFFFAOYSA-N -2 0 349.455 5.010 1 10 EKCFRL