smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(/C=N/N=C2\NC(=O)[C@H](CC(=O)NC(N)=O)S2)c(C(=O)[O-])c1OC ZINC000002552096 568782513 /nfs/dbraw/zinc/78/25/13/568782513.db2.gz GAYXAGXKWOAZCN-YSITYURMSA-N -1 2 423.407 -0.092 50 30 HBEALM COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)NC(N)=O)S2)c(C(=O)[O-])c1OC ZINC000002552096 568782511 /nfs/dbraw/zinc/78/25/11/568782511.db2.gz GAYXAGXKWOAZCN-YSITYURMSA-N -1 2 423.407 -0.092 50 30 HBEALM COc1ccc(/C=N/N=C2\NC(=O)[C@@H](CC(=O)NC(N)=O)S2)c(C(=O)[O-])c1OC ZINC000009489427 569039111 /nfs/dbraw/zinc/03/91/11/569039111.db2.gz GAYXAGXKWOAZCN-GIGVHJDUSA-N -1 2 423.407 -0.092 50 30 HBEALM COc1ccc(/C=N/N=C2\NC(=O)C(CC(=O)NC(N)=O)S2)c(C(=O)[O-])c1OC ZINC000009489427 569039110 /nfs/dbraw/zinc/03/91/10/569039110.db2.gz GAYXAGXKWOAZCN-GIGVHJDUSA-N -1 2 423.407 -0.092 50 30 HBEALM