smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C([O-])c1cc([N+](=O)[O-])c(O)cc1OC(F)F	ZINC000575662796	387192940	/nfs/dbraw/zinc/19/29/40/387192940.db2.gz	IRCOJVNQDBVXBY-UHFFFAOYSA-N	-1	2	249.125	1.600	10	5		BDBELM
O=C([O-])c1cc([N+](=O)[O-])c(O)cc1C(F)F	ZINC000575668882	387321864	/nfs/dbraw/zinc/32/18/64/387321864.db2.gz	PDRXKEHNHHUEKR-UHFFFAOYSA-N	-1	2	233.126	1.936	10	5		BDBELM
C[C@H](C(=O)[O-])c1ccc(O)c([N+](=O)[O-])c1	ZINC000039320727	359531786	/nfs/dbraw/zinc/53/17/86/359531786.db2.gz	FOBWIPGSNZOTNJ-YFKPBYRVSA-N	-1	2	211.173	1.489	10	5		BDBELM
O=C([O-])c1cc(OC(F)F)cc(O)c1[N+](=O)[O-]	ZINC000575663160	387269887	/nfs/dbraw/zinc/26/98/87/387269887.db2.gz	QWMAAEDUMINVOC-UHFFFAOYSA-N	-1	2	249.125	1.600	10	5		BDBELM
O=C([O-])c1cc(O)c([N+](=O)[O-])c(C(F)F)c1	ZINC000575668009	387323406	/nfs/dbraw/zinc/32/34/06/387323406.db2.gz	IGPKRZPMFXPWHR-UHFFFAOYSA-N	-1	2	233.126	1.936	10	5		BDBELM
O=C([O-])c1ccc2c([N+](=O)[O-])ccc(O)c2n1	ZINC000584651169	358306339	/nfs/dbraw/zinc/30/63/39/358306339.db2.gz	FIDCMBLTBPAIRU-UHFFFAOYSA-N	-1	2	234.167	1.547	10	5		BDBELM
O=C([O-])c1ccc2c([N+](=O)[O-])ccc([O-])c2[nH+]1	ZINC000584651169	358306340	/nfs/dbraw/zinc/30/63/40/358306340.db2.gz	FIDCMBLTBPAIRU-UHFFFAOYSA-N	-1	2	234.167	1.547	10	5		BDBELM
O=C([O-])c1c(F)ccc(O)c1[N+](=O)[O-]	ZINC000039084986	344756169	/nfs/dbraw/zinc/75/61/69/344756169.db2.gz	GPXAXTDGKOCURH-UHFFFAOYSA-N	-1	2	201.109	1.138	10	5		BDBELM
Cc1cc([N+](=O)[O-])ccc1O[P@@](=O)([O-])O	ZINC000071315748	178272368	/nfs/dbraw/zinc/27/23/68/178272368.db2.gz	TZQYZSLTRYPINY-UHFFFAOYSA-N	-1	2	233.116	1.375	10	5		BDBELM
Cc1cc([N+](=O)[O-])ccc1O[P@](=O)([O-])O	ZINC000071315748	178272371	/nfs/dbraw/zinc/27/23/71/178272371.db2.gz	TZQYZSLTRYPINY-UHFFFAOYSA-N	-1	2	233.116	1.375	10	5		BDBELM
O=C([O-])c1cc(C(F)F)cc(O)c1[N+](=O)[O-]	ZINC000575668772	387327284	/nfs/dbraw/zinc/32/72/84/387327284.db2.gz	NTPKYKWYSBCTIE-UHFFFAOYSA-N	-1	2	233.126	1.936	10	5		BDBELM
O=C([O-])c1cc(Cl)cc(O)c1[N+](=O)[O-]	ZINC000034925591	182555155	/nfs/dbraw/zinc/55/51/55/182555155.db2.gz	DDXPPDNZDJERNC-UHFFFAOYSA-N	-1	2	217.564	1.652	10	5		BDBELM
O=C([O-])c1cc(O)c([N+](=O)[O-])cc1C(F)F	ZINC000575669524	387329295	/nfs/dbraw/zinc/32/92/95/387329295.db2.gz	ZKYSRXFNDUDWIU-UHFFFAOYSA-N	-1	2	233.126	1.936	10	5		BDBELM
C[C@@H](C(=O)[O-])c1ccc(O)c([N+](=O)[O-])c1	ZINC000039320729	359531512	/nfs/dbraw/zinc/53/15/12/359531512.db2.gz	FOBWIPGSNZOTNJ-RXMQYKEDSA-N	-1	2	211.173	1.489	10	5		BDBELM
O=C([O-])c1cc(O)c([N+](=O)[O-])cc1F	ZINC000128809429	350306374	/nfs/dbraw/zinc/30/63/74/350306374.db2.gz	HWEOLANUQJPQKR-UHFFFAOYSA-N	-1	2	201.109	1.138	10	5		BDBELM
Cc1cccc([N+](=O)[O-])c1O[P@@](=O)([O-])O	ZINC000071319175	179207006	/nfs/dbraw/zinc/20/70/06/179207006.db2.gz	PSQCVWFXQFLOMN-UHFFFAOYSA-N	-1	2	233.116	1.375	10	5		BDBELM
Cc1cccc([N+](=O)[O-])c1O[P@](=O)([O-])O	ZINC000071319175	179207007	/nfs/dbraw/zinc/20/70/07/179207007.db2.gz	PSQCVWFXQFLOMN-UHFFFAOYSA-N	-1	2	233.116	1.375	10	5		BDBELM
O=C([O-])c1ccc(C(F)F)c(O)c1[N+](=O)[O-]	ZINC000575669300	387326836	/nfs/dbraw/zinc/32/68/36/387326836.db2.gz	RKDWUCSEDUHULU-UHFFFAOYSA-N	-1	2	233.126	1.936	10	5		BDBELM
O=C([O-])c1cc(O)c(C(F)F)cc1[N+](=O)[O-]	ZINC000575669387	387328390	/nfs/dbraw/zinc/32/83/90/387328390.db2.gz	UKRNNPWGQAZCEX-UHFFFAOYSA-N	-1	2	233.126	1.936	10	5		BDBELM
O=[N+]([O-])c1c([O-])cc(Br)cc1O	ZINC000575687623	398064195	/nfs/dbraw/zinc/06/41/95/398064195.db2.gz	WGQINRIFMUSEHK-UHFFFAOYSA-N	-1	2	234.005	1.769	10	5		BDBELM
O=C([O-])c1cc(O)c([N+](=O)[O-])c(OC(F)F)c1	ZINC000575663203	387268297	/nfs/dbraw/zinc/26/82/97/387268297.db2.gz	SNRDKTPZUWKEGR-UHFFFAOYSA-N	-1	2	249.125	1.600	10	5		BDBELM
O=C([O-])c1cc(C(F)F)c(O)c([N+](=O)[O-])c1	ZINC000575669430	387330001	/nfs/dbraw/zinc/33/00/01/387330001.db2.gz	VFGXQGYUECWEPI-UHFFFAOYSA-N	-1	2	233.126	1.936	10	5		BDBELM