smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c3ccccc23)cc1 ZINC000000645596 212168239 /nfs/dbraw/zinc/16/82/39/212168239.db2.gz GDFFFCVYSNYEJE-UHFFFAOYSA-N -2 3 375.877 5.123 50 10 GKCAHL CC(C)(C)c1ccc(S(=O)(=O)[N-]c2cc(Cl)c([O-])c3ccccc23)cc1 ZINC000003283026 570335497 /nfs/dbraw/zinc/33/54/97/570335497.db2.gz AXPKSNZAAXRXNR-UHFFFAOYSA-N -2 3 389.904 5.297 50 10 GKCAHL