smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C(=O)C(=C([S-])N=C2C=CC(C(N)=O)=CC2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 ZINC000726570078 1072908710 /nfs/dbraw/zinc/90/87/10/1072908710.db2.gz QWEWENUKXGMUOF-UHFFFAOYSA-O 0 2 500.669 5.750 20 30 KKEDLN Cc1cc(C([O-])=C(C(=S)N=C2C=CC(C(N)=O)=CC2)[n+]2ccc(Cc3ccccc3)cc2)c(C)s1 ZINC000726570078 1072908719 /nfs/dbraw/zinc/90/87/19/1072908719.db2.gz QWEWENUKXGMUOF-UHFFFAOYSA-O 0 2 500.669 5.750 20 30 KKEDLN