smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(NS(=O)(=O)c2ccc(C)cc2)c(C(=O)c2ccc(Cl)cc2)cc1OC ZINC000004244697 568939853 /nfs/dbraw/zinc/93/98/53/568939853.db2.gz IZAPTJQKKWWMFX-UHFFFAOYSA-N 0 1 445.924 4.697 30 10 IJCCMN