smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[N+](C)(C)NC(=O)C(O)(c1ccccc1)c1ccccc1	ZINC000004843890	717098426	/nfs/dbraw/zinc/09/84/26/717098426.db2.gz	XRMJPLBILDKHHR-UHFFFAOYSA-O	1	0	299.394	2.050	50	50		CEGARO
ClCC#CC[N+]1(CC#Cc2ccccc2)CCOCC1	ZINC000001832012	717089729	/nfs/dbraw/zinc/08/97/29/717089729.db2.gz	YLBIFSOKPRPQPO-UHFFFAOYSA-N	1	0	288.798	2.127	50	50		CEGARO
CC(/C=C/c1ccc(C)cc1)=N\NC(=O)C[N+](C)(C)C	ZINC000005682331	717100820	/nfs/dbraw/zinc/10/08/20/717100820.db2.gz	HYLXGOYRALTGAQ-LDRANXPESA-O	1	0	274.388	2.207	50	50		CEGARO