smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c2ccsc2nc2c3ccccc3oc21 ZINC000573753772 364909517 /nfs/dbraw/zinc/90/95/17/364909517.db2.gz NHPFDTOZQBZKFH-UHFFFAOYSA-N 0 0 239.299 4.504 20 5 BJBDRN