smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)([N-]c1nc(SCc2ccccc2)n[nH]1)C1=Cc2ccccc2CC1 ZINC000160432943 570322250 /nfs/dbraw/zinc/32/22/50/570322250.db2.gz UYAAZPIJSAYUBU-UHFFFAOYSA-N -2 1 398.513 3.826 50 70 GHIAML