smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCc1ccc(Sc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000013603439 181867641 /nfs/dbraw/zinc/86/76/41/181867641.db2.gz WAKHBKOFPYWXCW-UHFFFAOYSA-N 1 2 317.413 5.032 10 5 DKBELO c1ccc(CSc2c3ccccc3[nH+]c3ccccc32)cc1 ZINC000032106112 563832132 /nfs/dbraw/zinc/83/21/32/563832132.db2.gz SEETYRNBSCPUGB-UHFFFAOYSA-N 1 2 301.414 5.680 10 5 DKBELO