smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccccc1OCCS/C(=N/C#N)SCc1ccc(Cl)cc1Cl ZINC000015443965 556528562 /nfs/dbraw/zinc/52/85/62/556528562.db2.gz BSOBMJYFASBDIY-PYCFMQQDSA-N 0 0 427.378 5.884 30 30 IKECRN