smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])c1ccc(-c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)o1 ZINC000226353323 231036947 /nfs/dbraw/zinc/03/69/47/231036947.db2.gz GQWAHZYYBAATDF-UHFFFAOYSA-N -2 1 377.805 4.099 10 0 GIAEML O=C([O-])c1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(Cl)cc3)c2)o1 ZINC000226353133 231037040 /nfs/dbraw/zinc/03/70/40/231037040.db2.gz BDDDDHOMIAECEO-UHFFFAOYSA-N -2 1 377.805 4.099 10 0 GIAEML O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)o1 ZINC000226352870 231037032 /nfs/dbraw/zinc/03/70/32/231037032.db2.gz PMFJPKOIIIOFMJ-UHFFFAOYSA-N -2 1 377.805 4.099 10 0 GIAEML O=C([O-])c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)o1 ZINC000226352947 231037205 /nfs/dbraw/zinc/03/72/05/231037205.db2.gz ONEZACTVAMMQSP-UHFFFAOYSA-N -2 1 377.805 4.099 10 0 GIAEML