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-])c1ccccc1C(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1O ZINC000004546243 204051647 /nfs/dbraw/zinc/05/16/47/204051647.db2.gz ZHGXLDPTDDKQEI-FQEVSTJZSA-N -1 2 386.407 4.082 50 10 GICALM CC[C@@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000008738895 570538331 /nfs/dbraw/zinc/53/83/31/570538331.db2.gz PRTDIYONCVAZCR-FDIDITGRSA-N -1 2 392.411 4.405 50 10 GICALM O=C([O-])c1ccc(N2C(=O)NC(=O)C(=Cc3cccc4ccccc34)C2=O)cc1 ZINC000017028731 570937490 /nfs/dbraw/zinc/93/74/90/570937490.db2.gz ALGCHAJBAVNCKT-PDGQHHTCSA-N -1 2 386.363 4.045 50 10 GICALM CC[C@H](C)c1ccc(N2C(=O)NC(=O)C(=Cc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000008738896 221054010 /nfs/dbraw/zinc/05/40/10/221054010.db2.gz PRTDIYONCVAZCR-CYUIRQCWSA-N -1 2 392.411 4.405 50 10 GICALM