smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=NNc1ccc(Cl)c(C(=O)[O-])c1)c1ccc([O-])c(Cl)c1 ZINC000768763476 1045833999 /nfs/dbraw/zinc/83/39/99/1045833999.db2.gz GMUGODKCORMZSP-UHFFFAOYSA-N -2 1 339.178 4.233 20 30 EIEDML N#Cc1cccc(-c2cc([O-])cc(C(=O)Nc3ccccc3[S-])c2)c1 ZINC001196318085 1053636563 /nfs/dbraw/zinc/63/65/63/1053636563.db2.gz CLVXKYIOHLGDMH-UHFFFAOYSA-N -2 1 346.411 4.472 20 30 EIEDML