smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(-c2csc(-c3ccccc3[O-])n2)cc1	ZINC000048785586	328322249	/nfs/dbraw/zinc/32/22/49/328322249.db2.gz	IQXHWTNVYFQCTK-UHFFFAOYSA-N	-1	3	298.323	4.091	20	5		CIBDHM
O=[N+]([O-])c1ccc2nc(/C=C/c3ccc([O-])cc3)ccc2c1	ZINC000184767199	262298474	/nfs/dbraw/zinc/29/84/74/262298474.db2.gz	IZMXLHQNPNEKIT-ORCRQEGFSA-N	-1	3	292.294	4.019	20	5		CIBDHM
O=[N+]([O-])c1ccc(/C=C/c2ccc3cccc([O-])c3n2)s1	ZINC000543863715	333903788	/nfs/dbraw/zinc/90/37/88/333903788.db2.gz	WSBRHMNILGNHEY-VOTSOKGWSA-N	-1	3	298.323	4.081	20	5		CIBDHM
O=[N+]([O-])c1cc(Cl)ccc1Sc1cccc([O-])c1	ZINC000131034694	264366005	/nfs/dbraw/zinc/36/60/05/264366005.db2.gz	TYDJWYSUAIZXFH-UHFFFAOYSA-N	-1	3	281.720	4.105	20	5		CIBDHM
O=[N+]([O-])c1cnc([N-]c2csc3ccccc23)s1	ZINC000409733620	327164347	/nfs/dbraw/zinc/16/43/47/327164347.db2.gz	KKWOJWVLPBLAHN-UHFFFAOYSA-N	-1	3	277.330	4.010	20	5		CIBDHM
O=[N+]([O-])c1ccc2nc(/C=C/c3cccc([O-])c3)ccc2c1	ZINC000184767047	333132104	/nfs/dbraw/zinc/13/21/04/333132104.db2.gz	MDQKDHNGLGYCIR-GQCTYLIASA-N	-1	3	292.294	4.019	20	5		CIBDHM
O=[N+]([O-])c1ccc(Sc2cccc([O-])c2)c(Cl)c1	ZINC000128586284	527377640	/nfs/dbraw/zinc/37/76/40/527377640.db2.gz	SQDHMCZQOZKVDM-UHFFFAOYSA-N	-1	3	281.720	4.105	20	5		CIBDHM
O=[N+]([O-])c1ccc2sc(/C=C/c3ccc([O-])cc3)nc2c1	ZINC000007746128	333098639	/nfs/dbraw/zinc/09/86/39/333098639.db2.gz	SDZXMRDVECWRLI-FPYGCLRLSA-N	-1	3	298.323	4.081	20	5		CIBDHM
O=[N+]([O-])c1cccc(-c2csc(-c3ccccc3[O-])n2)c1	ZINC000048785655	527383432	/nfs/dbraw/zinc/38/34/32/527383432.db2.gz	ASUGHNSDNYKPMI-UHFFFAOYSA-N	-1	3	298.323	4.091	20	5		CIBDHM
O=[N+]([O-])c1cccc2ccc(/C=C/c3ccc([O-])cc3)nc21	ZINC000008321427	327146614	/nfs/dbraw/zinc/14/66/14/327146614.db2.gz	ICNMDPRRAIFNHQ-XBXARRHUSA-N	-1	3	292.294	4.019	20	5		CIBDHM