smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1cc(Cl)c(Cl)c(C(=O)[O-])c1 ZINC000079001731 569423471 /nfs/dbraw/zinc/42/34/71/569423471.db2.gz DXKMPGDSWSVVAZ-UHFFFAOYSA-N -1 2 422.217 3.418 20 0 HGADLM