smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1[n-]c(=O)c(C#N)c(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC000021707931 1066495932 /nfs/dbraw/zinc/49/59/32/1066495932.db2.gz QSEBOEYHAZPBNW-UHFFFAOYSA-N -1 3 500.002 4.961 20 30 KJEDHM Cc1ccc(Nc2nc(Cl)c(C=NNc3ccc(S(=O)(=O)[N-]c4ccccn4)cn3)s2)cc1 ZINC000914699056 1066482232 /nfs/dbraw/zinc/48/22/32/1066482232.db2.gz AUHFIEZLPDLYJX-UHFFFAOYSA-N -1 3 500.009 4.885 20 30 KJEDHM