smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ncc(-c2cccc([N+](=O)[O-])c2)c2c([O-])cccc12	ZINC000090555773	180003715	/nfs/dbraw/zinc/00/37/15/180003715.db2.gz	MJADEHBNLZZGND-UHFFFAOYSA-N	-1	3	296.282	3.524	10	5		CHBEHM
C[C@@H]1CCC[C@H](C)C1Nc1ccc([O-])cc1[N+](=O)[O-]	ZINC000037162486	172997657	/nfs/dbraw/zinc/99/76/57/172997657.db2.gz	PAQYHYJADZTONR-XFLKPENQSA-N	-1	3	264.325	3.537	10	5		CHBEHM
CC1(C)C=Cc2ccc3c([O-])c4c(=O)cccc-4oc3c2O1	ZINC000005963553	560203927	/nfs/dbraw/zinc/20/39/27/560203927.db2.gz	WTSFSOWKXDTLJX-UHFFFAOYSA-N	-1	3	294.306	3.836	10	5	in-vitro	CHBEHM
CC1(C)C=Cc2ccc3c(=O)c4c([O-])cccc4oc3c2O1	ZINC000005963553	560203928	/nfs/dbraw/zinc/20/39/28/560203928.db2.gz	WTSFSOWKXDTLJX-UHFFFAOYSA-N	-1	3	294.306	3.836	10	5	in-vitro	CHBEHM
O=[N+]([O-])c1cc(F)cc(Sc2ccc([O-])cc2)c1	ZINC000038079226	174089314	/nfs/dbraw/zinc/08/93/14/174089314.db2.gz	SNIGLYFEGNSHAC-UHFFFAOYSA-N	-1	3	265.265	3.591	10	5		CHBEHM
Cc1c(Sc2ccc([O-])cc2)cccc1[N+](=O)[O-]	ZINC000062724561	525886677	/nfs/dbraw/zinc/88/66/77/525886677.db2.gz	AAKQNBKMYQWHSO-UHFFFAOYSA-N	-1	3	261.302	3.760	10	5		CHBEHM
CC1(C)C=Cc2c(cc(=O)c3c([O-])c4ccccc4oc2-3)O1	ZINC000096932854	185132243	/nfs/dbraw/zinc/13/22/43/185132243.db2.gz	IXSPMALLMDABPI-UHFFFAOYSA-N	-1	3	294.306	3.836	10	5		CHBEHM
CC1(C)C=Cc2c(cc([O-])c3c(=O)c4ccccc4oc23)O1	ZINC000096932854	185132244	/nfs/dbraw/zinc/13/22/44/185132244.db2.gz	IXSPMALLMDABPI-UHFFFAOYSA-N	-1	3	294.306	3.836	10	5		CHBEHM