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(COc1ccc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[n-]2)cc1)Nc1ccc(N2CCOCC2)c(Cl)c1	ZINC000408602512	572273310	/nfs/dbraw/zinc/27/33/10/572273310.db2.gz	CCDGOUXVKBYXRB-FPYGCLRLSA-N	-2	1	527.921	3.474	40	5		KGBBML
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c([O-])cc3[O-])c(=O)n2[C@@H]1c1cccc2ccccc21	ZINC000408917702	1059031255	/nfs/dbraw/zinc/03/12/55/1059031255.db2.gz	AEVCYGJMRMZGQG-DKOMQPSQSA-N	-2	1	531.546	3.271	40	5		KGBBML
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc([N+](=O)[O-])c([O-])cc3[O-])c(=O)n2[C@H]1c1cccc2ccccc21	ZINC000408917703	1059763646	/nfs/dbraw/zinc/76/36/46/1059763646.db2.gz	AEVCYGJMRMZGQG-IZBTWGKQSA-N	-2	1	531.546	3.271	40	5		KGBBML
COc1c(I)cc(I)cc1C=Cc1nc([O-])c([N+](=O)[O-])c(=O)[n-]1	ZINC000409339993	1059069100	/nfs/dbraw/zinc/06/91/00/1059069100.db2.gz	OCUZZRBRQCTPTF-IHWYPQMZSA-N	-2	1	541.039	3.184	40	5		KGBBML