smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C(C(N)=O)=C([O-])C(=O)C=C(O)c1ccc(C)cc1C	ZINC000100215906	285628317	/nfs/dbraw/zinc/62/83/17/285628317.db2.gz	ONHCMXXYDDMXLB-MGMVUIRKSA-N	-1	2	333.340	1.789	40	30		EDEBLM
O=C([O-])Cc1sc([N-][NH+]=CC=Cc2ccccc2[N+](=O)[O-])nc1O	ZINC000015974061	527637039	/nfs/dbraw/zinc/63/70/39/527637039.db2.gz	VHRFBVZBESDMRI-RDDGQXLXSA-N	-1	2	348.340	1.656	40	30		EDEBLM
O=C([O-])Cc1sc([N-][NH+]=CC=Cc2ccccc2[N+](=O)[O-])nc1O	ZINC000015974060	527631878	/nfs/dbraw/zinc/63/18/78/527631878.db2.gz	VHRFBVZBESDMRI-ODTPDRFSSA-N	-1	2	348.340	1.656	40	30		EDEBLM
O=[N+]([O-])c1ccc(O)c(C=NNc2ccc(S(=O)(=O)[O-])cc2)c1	ZINC000017002172	441234249	/nfs/dbraw/zinc/23/42/49/441234249.db2.gz	ZDKCFRVWYIVUNG-RIYZIHGNSA-N	-1	2	337.313	1.993	40	30		EDEBLM
CCOC(=O)C(C(N)=O)=C([O-])C(=O)C=C(O)c1ccc(C)cc1C	ZINC000102781852	441171360	/nfs/dbraw/zinc/17/13/60/441171360.db2.gz	ONHCMXXYDDMXLB-VEEDHSDUSA-N	-1	2	333.340	1.789	40	30		EDEBLM