smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1[N-]C(=S)S/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 ZINC000059272257 207784018 /nfs/dbraw/zinc/78/40/18/207784018.db2.gz YPGDSZLDFDWJHA-OVCLIPMQSA-N -1 1 396.320 5.061 10 10 GKCEMM