smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Brc1ccc(SC2C[NH+](C(c3ccccc3)c3ccccc3)C2)cc1 ZINC000015442750 558740285 /nfs/dbraw/zinc/74/02/85/558740285.db2.gz AYSRARHJXLHJQP-UHFFFAOYSA-N 1 0 410.380 6.015 30 0 HKACRO