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	387192935	/nfs/dbraw/zinc/19/29/35/387192935.db2.gz	IRCOJVNQDBVXBY-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=C([O-])c1cc([O-])c(OC(F)F)cc1[N+](=O)[O-]	ZINC000575662598	387197030	/nfs/dbraw/zinc/19/70/30/387197030.db2.gz	CKXXSPMAXYQIHD-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=C([O-])c1cc([N+](=O)[O-])c([O-])cc1C(F)F	ZINC000575668882	387321857	/nfs/dbraw/zinc/32/18/57/387321857.db2.gz	PDRXKEHNHHUEKR-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
C[C@H](C(=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000039320727	359531784	/nfs/dbraw/zinc/53/17/84/359531784.db2.gz	FOBWIPGSNZOTNJ-YFKPBYRVSA-N	-2	0	211.173	1.489	10	5		BDBERL
O=C([O-])c1cc(OC(F)F)cc([O-])c1[N+](=O)[O-]	ZINC000575663160	387269880	/nfs/dbraw/zinc/26/98/80/387269880.db2.gz	QWMAAEDUMINVOC-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=C([O-])c1cc(C(F)F)cc([N+](=O)[O-])c1[O-]	ZINC000575668898	387323345	/nfs/dbraw/zinc/32/33/45/387323345.db2.gz	POCOZECHXHVCAS-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
O=C([O-])c1cc([O-])c([N+](=O)[O-])c(C(F)F)c1	ZINC000575668009	387323403	/nfs/dbraw/zinc/32/34/03/387323403.db2.gz	IGPKRZPMFXPWHR-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
O=C([O-])c1ccc2c([N+](=O)[O-])ccc([O-])c2n1	ZINC000584651169	358306336	/nfs/dbraw/zinc/30/63/36/358306336.db2.gz	FIDCMBLTBPAIRU-UHFFFAOYSA-N	-2	0	234.167	1.547	10	5		BDBERL
O=[N+]([O-])c1ccc(C2C([O-])=NN=C2[O-])cc1	ZINC000100026154	182926271	/nfs/dbraw/zinc/92/62/71/182926271.db2.gz	HJQNZZINZPSOHQ-UHFFFAOYSA-N	-2	0	221.172	1.396	10	5		BDBERL
O=c1c2cc(Cl)ccc2[n-]c([O-])c1[N+](=O)[O-]	ZINC000002243886	368127910	/nfs/dbraw/zinc/12/79/10/368127910.db2.gz	CZCJLOLVVYAZOZ-UHFFFAOYSA-N	-2	0	240.602	1.795	10	5		BDBERL
O=C([O-])c1c(F)ccc([O-])c1[N+](=O)[O-]	ZINC000039084986	344756163	/nfs/dbraw/zinc/75/61/63/344756163.db2.gz	GPXAXTDGKOCURH-UHFFFAOYSA-N	-2	0	201.109	1.138	10	5		BDBERL
O=C([O-])c1cc([N+](=O)[O-])cc([O-])c1C(F)F	ZINC000575668245	387325908	/nfs/dbraw/zinc/32/59/08/387325908.db2.gz	LSWIHMUKIFYZPE-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
Cc1cc([N+](=O)[O-])ccc1OP(=O)([O-])[O-]	ZINC000071315748	178272364	/nfs/dbraw/zinc/27/23/64/178272364.db2.gz	TZQYZSLTRYPINY-UHFFFAOYSA-N	-2	0	233.116	1.375	10	5		BDBERL
O=C([O-])c1cc([N+](=O)[O-])cc(Cl)c1[O-]	ZINC000168467314	355841211	/nfs/dbraw/zinc/84/12/11/355841211.db2.gz	NKALRCUMHHXJRN-UHFFFAOYSA-N	-2	0	217.564	1.652	10	5		BDBERL
O=C([O-])c1cc([O-])c([N+](=O)[O-])cc1OC(F)F	ZINC000575662559	384420986	/nfs/dbraw/zinc/42/09/86/384420986.db2.gz	AQBFIIGHSXVRBK-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=C([O-])c1cc(C(F)F)cc([O-])c1[N+](=O)[O-]	ZINC000575668772	387327276	/nfs/dbraw/zinc/32/72/76/387327276.db2.gz	NTPKYKWYSBCTIE-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
O=C([O-])c1cc(Cl)cc([O-])c1[N+](=O)[O-]	ZINC000034925591	182555152	/nfs/dbraw/zinc/55/51/52/182555152.db2.gz	DDXPPDNZDJERNC-UHFFFAOYSA-N	-2	0	217.564	1.652	10	5		BDBERL
O=C([O-])c1cc([O-])c([N+](=O)[O-])cc1C(F)F	ZINC000575669524	387329292	/nfs/dbraw/zinc/32/92/92/387329292.db2.gz	ZKYSRXFNDUDWIU-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
Cc1c(C(=O)[O-])cc([N+](=O)[O-])c(C)c1C(=O)[O-]	ZINC000021297830	371384320	/nfs/dbraw/zinc/38/43/20/371384320.db2.gz	XUMKUDNHYSDAFM-UHFFFAOYSA-N	-2	0	239.183	1.608	10	5		BDBERL
O=C([O-])c1cc([O-])c(C(F)F)c([N+](=O)[O-])c1	ZINC000575668834	387321550	/nfs/dbraw/zinc/32/15/50/387321550.db2.gz	OMMPZZFNLVSNAL-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
O=C([O-])c1cc(OC(F)F)c([O-])c([N+](=O)[O-])c1	ZINC000575663215	384422743	/nfs/dbraw/zinc/42/27/43/384422743.db2.gz	TULFOKNPRFDODP-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=C([O-])c1cc(OC(F)F)c(O)cc1[N+](=O)[O-]	ZINC000575663332	387288288	/nfs/dbraw/zinc/28/82/88/387288288.db2.gz	WRBKZAHPYYIORQ-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
C[C@@H](C(=O)[O-])c1ccc([O-])c([N+](=O)[O-])c1	ZINC000039320729	359531503	/nfs/dbraw/zinc/53/15/03/359531503.db2.gz	FOBWIPGSNZOTNJ-RXMQYKEDSA-N	-2	0	211.173	1.489	10	5		BDBERL
Cc1cc([O-])c([N+](=O)[O-])cc1[S@](=O)[O-]	ZINC000675062632	640951059	/nfs/dbraw/zinc/95/10/59/640951059.db2.gz	YVRGWYJIEGAKIN-UHFFFAOYSA-N	-2	0	217.202	1.189	10	5		BDBERL
O=C([O-])c1cc([O-])c([N+](=O)[O-])cc1F	ZINC000128809429	350306370	/nfs/dbraw/zinc/30/63/70/350306370.db2.gz	HWEOLANUQJPQKR-UHFFFAOYSA-N	-2	0	201.109	1.138	10	5		BDBERL
O=C([O-])c1cc([S-])c(F)cc1[N+](=O)[O-]	ZINC000050033275	344613904	/nfs/dbraw/zinc/61/39/04/344613904.db2.gz	BNQWUGIQHQLHPU-UHFFFAOYSA-N	-2	0	217.177	1.721	10	5		BDBERL
Cc1cccc([N+](=O)[O-])c1OP(=O)([O-])[O-]	ZINC000071319175	179207005	/nfs/dbraw/zinc/20/70/05/179207005.db2.gz	PSQCVWFXQFLOMN-UHFFFAOYSA-N	-2	0	233.116	1.375	10	5		BDBERL
Cc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[S@](=O)[O-]	ZINC000675061444	538487986	/nfs/dbraw/zinc/48/79/86/538487986.db2.gz	WRRFQCRVWMKHPK-UHFFFAOYSA-N	-2	0	245.212	1.182	10	5		BDBERL
O=C([O-])c1cc([N+](=O)[O-])c([S-])cc1F	ZINC000130253696	358987685	/nfs/dbraw/zinc/98/76/85/358987685.db2.gz	QBJLEDPBHZHGAH-UHFFFAOYSA-N	-2	0	217.177	1.721	10	5		BDBERL
O=C([O-])c1ccc(C(F)F)c([O-])c1[N+](=O)[O-]	ZINC000575669300	387326826	/nfs/dbraw/zinc/32/68/26/387326826.db2.gz	RKDWUCSEDUHULU-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
O=C([O-])c1cc([O-])cc(C(F)F)c1[N+](=O)[O-]	ZINC000575669315	387328351	/nfs/dbraw/zinc/32/83/51/387328351.db2.gz	RZYWUNROGFFDCM-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
O=C([O-])c1cc([O-])c(C(F)F)cc1[N+](=O)[O-]	ZINC000575669387	387328386	/nfs/dbraw/zinc/32/83/86/387328386.db2.gz	UKRNNPWGQAZCEX-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL
O=c1c2ccc(Cl)cc2[n-]c([O-])c1[N+](=O)[O-]	ZINC000013760416	518203231	/nfs/dbraw/zinc/20/32/31/518203231.db2.gz	POOJTMPDNSNHMJ-UHFFFAOYSA-N	-2	0	240.602	1.795	10	5		BDBERL
O=C([O-])c1cc([O-])cc(OC(F)F)c1[N+](=O)[O-]	ZINC000575662804	387195545	/nfs/dbraw/zinc/19/55/45/387195545.db2.gz	JEDKNCVKSPHRHS-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=[N+]([O-])c1c([O-])cc([O-])cc1Br	ZINC000575686335	387375311	/nfs/dbraw/zinc/37/53/11/387375311.db2.gz	MAOQXBVVPKAZAX-UHFFFAOYSA-N	-2	0	234.005	1.769	10	5		BDBERL
COc1ccc2[n-]c([O-])c([N+](=O)[O-])c(=O)c2c1	ZINC000022130489	343264408	/nfs/dbraw/zinc/26/44/08/343264408.db2.gz	GTTYJYSJSWMWTA-UHFFFAOYSA-N	-2	0	236.183	1.151	10	5		BDBERL
O=C([O-])c1ccc(OC(F)F)c([O-])c1[N+](=O)[O-]	ZINC000575662998	387270594	/nfs/dbraw/zinc/27/05/94/387270594.db2.gz	OAOHHDCHZPRQCZ-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=C([O-])C(=Cc1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000002505039	384188910	/nfs/dbraw/zinc/18/89/10/384188910.db2.gz	PWOSYAXUKPDKHQ-UHFFFAOYSA-N	-2	0	237.167	1.147	10	5		BDBERL
O=C([O-])/C=C\c1cc([N+](=O)[O-])ccc1[O-]	ZINC000095935197	388792042	/nfs/dbraw/zinc/79/20/42/388792042.db2.gz	PJUYGYRWUMRDEI-RJRFIUFISA-N	-2	0	209.157	1.398	10	5		BDBERL
O=[N+]([O-])c1c([O-])cc(Br)cc1[O-]	ZINC000575687623	398064191	/nfs/dbraw/zinc/06/41/91/398064191.db2.gz	WGQINRIFMUSEHK-UHFFFAOYSA-N	-2	0	234.005	1.769	10	5		BDBERL
O=C([O-])c1cc([O-])c([N+](=O)[O-])c(OC(F)F)c1	ZINC000575663203	387268294	/nfs/dbraw/zinc/26/82/94/387268294.db2.gz	SNRDKTPZUWKEGR-UHFFFAOYSA-N	-2	0	249.125	1.600	10	5		BDBERL
O=C([O-])c1cc(C(F)F)c([O-])c([N+](=O)[O-])c1	ZINC000575669430	387329996	/nfs/dbraw/zinc/32/99/96/387329996.db2.gz	VFGXQGYUECWEPI-UHFFFAOYSA-N	-2	0	233.126	1.936	10	5		BDBERL