smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc([NH+]=C2NC(=[NH+]c3ccc(C)cc3)c3ccccc32)cc1 ZINC000016291593 563976500 /nfs/dbraw/zinc/97/65/00/563976500.db2.gz XAZXXOCBZOOGQQ-UHFFFAOYSA-N 2 2 325.415 5.254 40 30 EKEBLP