smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000325730955 855405609 /nfs/dbraw/zinc/40/56/09/855405609.db2.gz ADOXXABYBPJSRM-UHFFFAOYSA-N -2 1 410.662 4.160 20 10 HICDML