smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1nc(C=Cc2cn(Cc3ccc(Cl)cc3)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409332169	559248023	/nfs/dbraw/zinc/24/80/23/559248023.db2.gz	KIBYBAAAJDRCGZ-JXMROGBWSA-N	-2	3	422.828	4.623	40	5		HJBBHL
O=c1nc(C=Cc2ccccc2OCc2ccc3ccccc3c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409325694	559247872	/nfs/dbraw/zinc/24/78/72/559247872.db2.gz	ZSFIEUSRUWGAMJ-VAWYXSNFSA-N	-2	3	415.405	4.699	40	5		HJBBHL
O=c1nc(C=Cc2cccc(OCc3cccc4ccccc43)c2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409324987	560710908	/nfs/dbraw/zinc/71/09/08/560710908.db2.gz	VSRFPCJKFCLQFT-QXMHVHEDSA-N	-2	3	415.405	4.699	40	5		HJBBHL
COc1c([O-])cc2oc3cc4c(c(=O)c-3c([O-])c2c1CC=C(C)C)CCC(C)(C)O4	ZINC000013382496	291276243	/nfs/dbraw/zinc/27/62/43/291276243.db2.gz	KJCDBAVVDILRMP-UHFFFAOYSA-N	-2	3	410.466	4.978	40	5	endogenous,in-man	HJBBHL
O=c1nc(C=Cc2ccc(OCc3cccc4ccccc43)cc2)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409301466	559247394	/nfs/dbraw/zinc/24/73/94/559247394.db2.gz	FWXHYMZJZIYXNM-RAXLEYEMSA-N	-2	3	415.405	4.699	40	5		HJBBHL
O=c1nc(C=Cc2cn(Cc3ccccc3Cl)c3ccccc23)c([N+](=O)[O-])c([O-])[n-]1	ZINC000409316578	560709352	/nfs/dbraw/zinc/70/93/52/560709352.db2.gz	LNYJNVXMJCVJJU-KTKRTIGZSA-N	-2	3	422.828	4.623	40	5		HJBBHL