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-])C[C@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1	ZINC000004670089	181134743	/nfs/dbraw/zinc/13/47/43/181134743.db2.gz	OEQADNOYKFZIMV-NSHDSACASA-N	-1	0	324.720	3.147	50	5		DGBARM
Cc1nc2cc(NC(=O)c3ccc([N+](=O)[O-])c([O-])c3)ccc2o1	ZINC000024927700	182395248	/nfs/dbraw/zinc/39/52/48/182395248.db2.gz	KGNAMUDWEXJRDG-UHFFFAOYSA-N	-1	0	313.269	3.002	50	5		DGBARM
CO[C@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000130850142	196115603	/nfs/dbraw/zinc/11/56/03/196115603.db2.gz	RRIXDGOCWLDBHO-SNVBAGLBSA-N	-1	0	316.313	3.260	50	5		DGBARM
Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C	ZINC000000168349	431136882	/nfs/dbraw/zinc/13/68/82/431136882.db2.gz	UHLFOPQZCHVMLR-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000000333733	431168555	/nfs/dbraw/zinc/16/85/55/431168555.db2.gz	MNHIVKRGHVGPIJ-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
COc1c2ccccc2c(OC)c2cc(S(=O)(=O)[O-])ccc21	ZINC000002168596	331469044	/nfs/dbraw/zinc/46/90/44/331469044.db2.gz	FAYVAXYICXQWOP-UHFFFAOYSA-N	-1	0	318.350	3.257	50	5		DGBARM
O=[N+]([O-])c1ccc([O-])cc1CNc1ccc(Cn2cccn2)cc1	ZINC000095428668	185362443	/nfs/dbraw/zinc/36/24/43/185362443.db2.gz	NYSVOCMSRDVRDG-UHFFFAOYSA-N	-1	0	324.340	3.157	50	5		DGBARM
O=C([O-])c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000000618628	180830844	/nfs/dbraw/zinc/83/08/44/180830844.db2.gz	JJCMFGBUKOOVHI-UHFFFAOYSA-N	-1	0	309.281	3.146	50	5		DGBARM
CSc1ccc(C(=O)c2ccccc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000002641069	180942763	/nfs/dbraw/zinc/94/27/63/180942763.db2.gz	CHERYECRDOGVEN-UHFFFAOYSA-N	-1	0	317.322	3.246	50	5		DGBARM
O=C([O-])c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl	ZINC000005050832	304225988	/nfs/dbraw/zinc/22/59/88/304225988.db2.gz	APIUTCKDBRJESN-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
O=C([O-])c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000004822146	304230371	/nfs/dbraw/zinc/23/03/71/304230371.db2.gz	MXQZOLQAKAAQIU-UHFFFAOYSA-N	-1	0	312.075	3.316	50	5		DGBARM
O=C([O-])c1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000000186580	431142465	/nfs/dbraw/zinc/14/24/65/431142465.db2.gz	BDPWRVRNOLEYQA-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
CSc1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000612363	431205617	/nfs/dbraw/zinc/20/56/17/431205617.db2.gz	DCUUKXRFFWHQBV-UHFFFAOYSA-N	-1	0	324.383	3.118	50	5		DGBARM
O=C1Nc2ccccc2/C1=C\c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000005446577	431312465	/nfs/dbraw/zinc/31/24/65/431312465.db2.gz	PUTSWYWHAIOCEW-IZZDOVSWSA-N	-1	0	316.700	3.447	50	5		DGBARM
Cc1ccccc1Nc1c([N+](=O)[O-])cc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000670417733	547752432	/nfs/dbraw/zinc/75/24/32/547752432.db2.gz	VTGLZELOOBEFMK-UHFFFAOYSA-N	-1	0	317.257	3.253	50	5		DGBARM
O=C([O-])CCC(=O)Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1	ZINC000000295993	180750977	/nfs/dbraw/zinc/75/09/77/180750977.db2.gz	IDZDZZRBUPBMLU-UHFFFAOYSA-N	-1	0	314.297	3.065	50	5		DGBARM
O=C([O-])c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000003887267	181053097	/nfs/dbraw/zinc/05/30/97/181053097.db2.gz	YQGZWGXOIUIYIL-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000004289709	181093194	/nfs/dbraw/zinc/09/31/94/181093194.db2.gz	AFAJCQWYHASYPF-UHFFFAOYSA-N	-1	0	320.370	3.321	50	5		DGBARM
O=C([O-])c1ccc(NC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	ZINC000001753500	431238589	/nfs/dbraw/zinc/23/85/89/431238589.db2.gz	VTLIRXXUEMYBOG-UHFFFAOYSA-N	-1	0	319.248	3.076	50	5		DGBARM
Cc1cccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1	ZINC000008215312	431388368	/nfs/dbraw/zinc/38/83/68/431388368.db2.gz	STLIXZKKYPPGCQ-LLVKDONJSA-N	-1	0	316.313	3.015	50	5		DGBARM
CC(C)(C(=O)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(F)c1	ZINC000089531747	431869473	/nfs/dbraw/zinc/86/94/73/431869473.db2.gz	VJQDYLNTBLNIQI-UHFFFAOYSA-N	-1	0	318.304	3.356	50	5		DGBARM
C[C@@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1	ZINC000097080084	431959656	/nfs/dbraw/zinc/95/96/56/431959656.db2.gz	GFJHBZVNWHAZRB-JTQLQIEISA-N	-1	0	316.313	3.259	50	5		DGBARM
COc1cc(CNc2nc3ccccc3o2)cc([N+](=O)[O-])c1[O-]	ZINC000097231822	431966482	/nfs/dbraw/zinc/96/64/82/431966482.db2.gz	UHAQSCCZYDPMQZ-UHFFFAOYSA-N	-1	0	315.285	3.062	50	5		DGBARM
Cc1cc(C)c(O)c(C(=O)C=C([O-])c2ccc([N+](=O)[O-])cc2)c1	ZINC000101459138	431984832	/nfs/dbraw/zinc/98/48/32/431984832.db2.gz	SHKVMPHQZSYHPL-UHFFFAOYSA-N	-1	0	313.309	3.373	50	5		DGBARM
O=C(CSc1ccccc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000005049841	181196928	/nfs/dbraw/zinc/19/69/28/181196928.db2.gz	QASVSBOXFJIYFC-UHFFFAOYSA-N	-1	0	304.327	3.031	50	5		DGBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1	ZINC000004532374	285134962	/nfs/dbraw/zinc/13/49/62/285134962.db2.gz	ANGSZTFGELRKAJ-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1	ZINC000000348126	275037385	/nfs/dbraw/zinc/03/73/85/275037385.db2.gz	OZXDXCPXAFNROX-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
O=C(Cc1ccc(Cl)cc1)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000035306301	431828429	/nfs/dbraw/zinc/82/84/29/431828429.db2.gz	VRTHYTIBPIEHSF-UHFFFAOYSA-N	-1	0	306.705	3.135	50	5		DGBARM
O=[N+]([O-])c1cc(Br)c(F)c(C(F)(F)F)c1[O-]	ZINC000094986224	431920847	/nfs/dbraw/zinc/92/08/47/431920847.db2.gz	MWZVZNTWIAKZED-UHFFFAOYSA-N	-1	0	303.993	3.221	50	5		DGBARM
C[C@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1	ZINC000097114570	431961641	/nfs/dbraw/zinc/96/16/41/431961641.db2.gz	YMOVGNQJAFNOKY-QMMMGPOBSA-N	-1	0	321.720	3.091	50	5		DGBARM
COc1ccc(Oc2ccc(/C=C/C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000071769206	191029349	/nfs/dbraw/zinc/02/93/49/191029349.db2.gz	KAGWCHROKXTBTN-YCRREMRBSA-N	-1	0	315.281	3.494	50	5		DGBARM
COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])cc1Cl	ZINC000004832280	181158555	/nfs/dbraw/zinc/15/85/55/181158555.db2.gz	YEJVCLLNJONGBH-UHFFFAOYSA-N	-1	0	322.704	3.215	50	5		DGBARM
CCOc1ccccc1/C=C/c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000039983759	183026638	/nfs/dbraw/zinc/02/66/38/183026638.db2.gz	PMTFEGCYGNLDJD-BQYQJAHWSA-N	-1	0	314.297	3.257	50	5		DGBARM
Cc1cc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)c(C)s1	ZINC000000111103	431128377	/nfs/dbraw/zinc/12/83/77/431128377.db2.gz	DKCNKEOFFMTBLU-UHFFFAOYSA-N	-1	0	312.372	3.074	50	5		DGBARM
S=c1[n-]nc2nc3c4ccccc4c4ccccc4c3nn12	ZINC000017108518	431615333	/nfs/dbraw/zinc/61/53/33/431615333.db2.gz	XYUAPQGWVXYLOF-UHFFFAOYSA-N	-1	0	303.350	3.268	50	5		DGBARM
CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccs1	ZINC000034872632	431821378	/nfs/dbraw/zinc/82/13/78/431821378.db2.gz	PGKPREMYGPZIKE-CQSZACIVSA-N	-1	0	320.370	3.489	50	5		DGBARM
Cc1cccc(C)c1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)[O-]	ZINC000000206960	301976078	/nfs/dbraw/zinc/97/60/78/301976078.db2.gz	KOGDWDGNYHBIMW-UHFFFAOYSA-N	-1	0	314.297	3.162	50	5		DGBARM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000271793	180744522	/nfs/dbraw/zinc/74/45/22/180744522.db2.gz	WFZYFMYIHKNZPR-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
COc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1OC	ZINC000002164954	180913441	/nfs/dbraw/zinc/91/34/41/180913441.db2.gz	ZNDSFFIZNYNIHT-UHFFFAOYSA-N	-1	0	318.285	3.054	50	5		DGBARM
COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000004014141	181062347	/nfs/dbraw/zinc/06/23/47/181062347.db2.gz	SIWASSLWJNRVAY-UHFFFAOYSA-N	-1	0	322.704	3.215	50	5		DGBARM
O=C([O-])CC1(c2sc([N+](=O)[O-])cc2[N+](=O)[O-])CCCCC1	ZINC000004668724	181134055	/nfs/dbraw/zinc/13/40/55/181134055.db2.gz	USRYZJCHMWDTQQ-UHFFFAOYSA-N	-1	0	314.319	3.241	50	5		DGBARM
O=[N+]([O-])c1cc(CN2CCCC[C@H]2c2cccnc2)ccc1[O-]	ZINC000005033025	400086282	/nfs/dbraw/zinc/08/62/82/400086282.db2.gz	LHEBYXWGXVRHGX-HNNXBMFYSA-N	-1	0	313.357	3.423	50	5		DGBARM
Cc1ccc(C([O-])(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000000374336	431172570	/nfs/dbraw/zinc/17/25/70/431172570.db2.gz	PHJWSOLLGMQAAF-UHFFFAOYSA-N	-1	0	303.158	3.215	50	5		DGBARM
O=C([O-])/C=C/c1c(-c2cccc([N+](=O)[O-])c2)nc2ccccn21	ZINC000002599584	431258300	/nfs/dbraw/zinc/25/83/00/431258300.db2.gz	ITJRULPLDXQEKP-BQYQJAHWSA-N	-1	0	309.281	3.007	50	5		DGBARM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1	ZINC000008777121	431415280	/nfs/dbraw/zinc/41/52/80/431415280.db2.gz	CRHCYPDUPGZZML-UHFFFAOYSA-N	-1	0	324.333	3.152	50	5		DGBARM
Cc1cccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2[O-])c1	ZINC000008215310	431386950	/nfs/dbraw/zinc/38/69/50/431386950.db2.gz	STLIXZKKYPPGCQ-NSHDSACASA-N	-1	0	316.313	3.015	50	5		DGBARM
O=C1NC(=S)SC1=Cc1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000022782314	431635430	/nfs/dbraw/zinc/63/54/30/431635430.db2.gz	ARPSXTYRZVEFHB-UQCOIBPSSA-N	-1	0	316.747	3.283	50	5		DGBARM
C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000089540994	431870007	/nfs/dbraw/zinc/87/00/07/431870007.db2.gz	DYFYQZFFFGDEQR-MDZLAQPJSA-N	-1	0	322.361	3.223	50	5		DGBARM
C[C@H](Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000089904286	431884862	/nfs/dbraw/zinc/88/48/62/431884862.db2.gz	KGBYBDOKMRSCNT-SNVBAGLBSA-N	-1	0	320.370	3.065	50	5		DGBARM
C[C@@H](Cc1ccsc1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000089904285	431884892	/nfs/dbraw/zinc/88/48/92/431884892.db2.gz	KGBYBDOKMRSCNT-JTQLQIEISA-N	-1	0	320.370	3.065	50	5		DGBARM
Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000004289711	181092671	/nfs/dbraw/zinc/09/26/71/181092671.db2.gz	DBQDVYMLCXKHJI-UHFFFAOYSA-N	-1	0	320.370	3.321	50	5		DGBARM
O=C([O-])c1c(C(=O)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	ZINC000004426533	181109235	/nfs/dbraw/zinc/10/92/35/181109235.db2.gz	JWBXYHKBVXKSRK-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
CO[C@H](C)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000164489523	432048796	/nfs/dbraw/zinc/04/87/96/432048796.db2.gz	ROZQXUYIKTVLIZ-SNVBAGLBSA-N	-1	0	316.313	3.260	50	5		DGBARM
Cc1nn(-c2ccccc2)c(-c2ccccc2[N+](=O)[O-])c1C(=O)[O-]	ZINC000000173453	431138932	/nfs/dbraw/zinc/13/89/32/431138932.db2.gz	GRLZVZTWQPOBNX-UHFFFAOYSA-N	-1	0	323.308	3.454	50	5		DGBARM
C[C@H](Cc1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000089904274	431884724	/nfs/dbraw/zinc/88/47/24/431884724.db2.gz	BBALYYIMXSDQLN-SNVBAGLBSA-N	-1	0	320.370	3.065	50	5		DGBARM
C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000225451358	432691564	/nfs/dbraw/zinc/69/15/64/432691564.db2.gz	DYFYQZFFFGDEQR-WZRBSPASSA-N	-1	0	322.361	3.223	50	5		DGBARM
C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000081805111	192326564	/nfs/dbraw/zinc/32/65/64/192326564.db2.gz	WTBIFXKGQTYHBM-JTQLQIEISA-N	-1	0	320.370	3.065	50	5		DGBARM
Cc1cc(C)c(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	ZINC000004289702	181092822	/nfs/dbraw/zinc/09/28/22/181092822.db2.gz	XBWLUAKLAAIPGE-UHFFFAOYSA-N	-1	0	320.370	3.321	50	5		DGBARM
O=C([O-])C[C@@H](NCc1ccc(Cl)c([N+](=O)[O-])c1)c1ccco1	ZINC000004670088	181134685	/nfs/dbraw/zinc/13/46/85/181134685.db2.gz	OEQADNOYKFZIMV-LLVKDONJSA-N	-1	0	324.720	3.147	50	5		DGBARM
O=[N+]([O-])c1cc(CN2CCCC[C@@H]2c2cccnc2)ccc1[O-]	ZINC000005033028	400086040	/nfs/dbraw/zinc/08/60/40/400086040.db2.gz	LHEBYXWGXVRHGX-OAHLLOKOSA-N	-1	0	313.357	3.423	50	5		DGBARM
O=C([O-])c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000000068131	431120185	/nfs/dbraw/zinc/12/01/85/431120185.db2.gz	OFCNEBDIUCWLCY-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
O=C([O-])c1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000291489	431158665	/nfs/dbraw/zinc/15/86/65/431158665.db2.gz	DIKOAJJMWYFWKA-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
CSc1ccccc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000571644	431202930	/nfs/dbraw/zinc/20/29/30/431202930.db2.gz	SURHKFOGBBUMLP-UHFFFAOYSA-N	-1	0	324.383	3.118	50	5		DGBARM
C[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(F)c1	ZINC000035310603	431829908	/nfs/dbraw/zinc/82/99/08/431829908.db2.gz	LUHVLTKMDCCCOP-QMMMGPOBSA-N	-1	0	322.267	3.070	50	5		DGBARM
Cc1ccc(/C([O-])=C/c2nc3ccc([N+](=O)[O-])cc3oc2=O)cc1	ZINC000102501884	301479026	/nfs/dbraw/zinc/47/90/26/301479026.db2.gz	JZMRDQWHRRJYLG-DHDCSXOGSA-N	-1	0	324.292	3.461	50	5		DGBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccn2)c2ncccc12	ZINC000004854958	304801175	/nfs/dbraw/zinc/80/11/75/304801175.db2.gz	RFTXLRHEOJKBEX-UHFFFAOYSA-N	-1	0	311.257	3.190	50	5		DGBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1	ZINC000007053252	331500727	/nfs/dbraw/zinc/50/07/27/331500727.db2.gz	BJDRQXXXSSUHTB-UHFFFAOYSA-N	-1	0	318.763	3.111	50	5		DGBARM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000004806810	181153824	/nfs/dbraw/zinc/15/38/24/181153824.db2.gz	PYJMPOMIRXOUQI-UHFFFAOYSA-N	-1	0	314.297	3.162	50	5		DGBARM
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C/c1cc(F)ccc1F	ZINC000040139804	183039272	/nfs/dbraw/zinc/03/92/72/183039272.db2.gz	DCJOWSUARLFSMP-DAFODLJHSA-N	-1	0	306.224	3.137	50	5		DGBARM
CCN(Cc1ccccc1)c1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000042783480	183309368	/nfs/dbraw/zinc/30/93/68/183309368.db2.gz	WJFPNBRJFRKYJG-UHFFFAOYSA-N	-1	0	300.314	3.320	50	5		DGBARM
O=C([O-])c1ccc2c3nc4ccccc4n3c(=O)c3cccc1c23	ZINC000000009295	304254196	/nfs/dbraw/zinc/25/41/96/304254196.db2.gz	MYKOWOGZBMOVBJ-UHFFFAOYSA-N	-1	0	314.300	3.290	50	5	in-vitro	DGBARM
Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000003131567	431284547	/nfs/dbraw/zinc/28/45/47/431284547.db2.gz	YKPIPLPXUUKVML-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
C[C@@H](Cc1cccs1)N(C)C(=O)c1cccc([N+](=O)[O-])c1[O-]	ZINC000089904273	431885072	/nfs/dbraw/zinc/88/50/72/431885072.db2.gz	BBALYYIMXSDQLN-JTQLQIEISA-N	-1	0	320.370	3.065	50	5		DGBARM
O=C([O-])Cn1c2ccccc2c(=O)c2cc(C(F)(F)F)ccc21	ZINC000075567042	304090994	/nfs/dbraw/zinc/09/09/94/304090994.db2.gz	WGERMWZMZWJAOX-UHFFFAOYSA-N	-1	0	321.254	3.258	50	5		DGBARM
COc1cc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)ccc1O	ZINC000020857790	182249282	/nfs/dbraw/zinc/24/92/82/182249282.db2.gz	GIDSBLGVDYVLPE-UHFFFAOYSA-N	-1	0	313.269	3.026	50	5		DGBARM
C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000155942511	197075835	/nfs/dbraw/zinc/07/58/35/197075835.db2.gz	GRIKXMGAWMARGW-NTZNESFSSA-N	-1	0	322.361	3.223	50	5		DGBARM
O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004016698	304267091	/nfs/dbraw/zinc/26/70/91/304267091.db2.gz	SECFLCIZZKNDGO-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@H]1c1cccnc1	ZINC000022078436	400198145	/nfs/dbraw/zinc/19/81/45/400198145.db2.gz	XYWWRVKWYFXXJC-INIZCTEOSA-N	-1	0	313.357	3.423	50	5		DGBARM
CCOC(=O)C=C([O-])c1cc([N+](=O)[O-])c(Cl)cc1Cl	ZINC000000231516	431150436	/nfs/dbraw/zinc/15/04/36/431150436.db2.gz	UCLHXGMQGGFJNJ-UHFFFAOYSA-N	-1	0	306.101	3.038	50	5		DGBARM
O=c1c(-c2ccccc2Cl)c[n-]n1-c1cccc([N+](=O)[O-])c1	ZINC000001400735	431222356	/nfs/dbraw/zinc/22/23/56/431222356.db2.gz	LLRYPUYQLVWBKT-UHFFFAOYSA-N	-1	0	315.716	3.394	50	5		DGBARM
Cc1cc(C)c(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1	ZINC000003833241	431292943	/nfs/dbraw/zinc/29/29/43/431292943.db2.gz	YCGGKFAOTXDDJN-UHFFFAOYSA-N	-1	0	320.370	3.321	50	5		DGBARM
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003998856	431294370	/nfs/dbraw/zinc/29/43/70/431294370.db2.gz	YKANMRVNHVYATD-SNVBAGLBSA-N	-1	0	306.240	3.135	50	5		DGBARM
O=C(c1ccc([N+](=O)[O-])c([O-])c1)N1CC=C(c2ccccc2)CC1	ZINC000035286739	431827291	/nfs/dbraw/zinc/82/72/91/431827291.db2.gz	DLEABJRBLKJSHM-UHFFFAOYSA-N	-1	0	324.336	3.230	50	5		DGBARM
CCc1cc2c([nH]c(-c3ccc([N+](=O)[O-])s3)nc2=O)s1	ZINC000096467631	431952301	/nfs/dbraw/zinc/95/23/01/431952301.db2.gz	LVESMRBPNVMMBW-UHFFFAOYSA-N	-1	0	307.356	3.184	50	5		DGBARM
COc1ccc(NC(=O)c2cc(Cl)ccc2[O-])c([N+](=O)[O-])c1	ZINC000005358327	181234573	/nfs/dbraw/zinc/23/45/73/181234573.db2.gz	MZIYEUISFBDBPH-UHFFFAOYSA-N	-1	0	322.704	3.215	50	5		DGBARM
O=C([O-])CSc1nc2ccccc2c2nc3ccccc3n21	ZINC000006652970	181366098	/nfs/dbraw/zinc/36/60/98/181366098.db2.gz	NGJQWZROHPORBR-UHFFFAOYSA-N	-1	0	309.350	3.212	50	5		DGBARM
O=C([O-])/C=C/c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1	ZINC000000160632	431137691	/nfs/dbraw/zinc/13/76/91/431137691.db2.gz	NXEAFENRUYAQEV-FNORWQNLSA-N	-1	0	302.311	3.239	50	5		DGBARM
O=C([O-])c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000000231399	431151995	/nfs/dbraw/zinc/15/19/95/431151995.db2.gz	KXADSLFKBGTPAX-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
Cc1ccc(NC(=O)Nc2cccc(C(=O)[O-])c2)cc1[N+](=O)[O-]	ZINC000001753772	431238830	/nfs/dbraw/zinc/23/88/30/431238830.db2.gz	QMQTWTZGVPVBKD-UHFFFAOYSA-N	-1	0	315.285	3.245	50	5		DGBARM
O=[N+]([O-])c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1	ZINC000005604165	431311488	/nfs/dbraw/zinc/31/14/88/431311488.db2.gz	ZDWKHXFZLZSYJB-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
COc1ccc(-c2cc(=O)n(-c3ccc([N+](=O)[O-])cc3)[n-]2)cc1	ZINC000100610385	431982316	/nfs/dbraw/zinc/98/23/16/431982316.db2.gz	BJGHGOIGNNWKOR-UHFFFAOYSA-N	-1	0	311.297	3.162	50	5	aggregator	DGBARM
CC(C)(NC(=O)c1cccc([O-])c1[N+](=O)[O-])c1cccc(F)c1	ZINC000253418323	432396069	/nfs/dbraw/zinc/39/60/69/432396069.db2.gz	OFGFTBNVGGIRKQ-UHFFFAOYSA-N	-1	0	318.304	3.105	50	5		DGBARM
O=C([O-])/C=C\c1csc(/C=C/c2ccccc2[N+](=O)[O-])n1	ZINC000885672964	627041996	/nfs/dbraw/zinc/04/19/96/627041996.db2.gz	ZLQNKEYRAOUMQP-YMBWGVAGSA-N	-1	0	302.311	3.320	50	5		DGBARM
Cc1ccc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])c(C)c1	ZINC000004119328	181076112	/nfs/dbraw/zinc/07/61/12/181076112.db2.gz	ABXRKUKONYUNKC-UHFFFAOYSA-N	-1	0	314.297	3.162	50	5		DGBARM
CC[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(C)cc1	ZINC000017841800	182085945	/nfs/dbraw/zinc/08/59/45/182085945.db2.gz	HIGKRPPESXEVKW-CQSZACIVSA-N	-1	0	314.341	3.490	50	5		DGBARM
O=C([O-])c1cc2c(ccc3cc(Br)ccc32)oc1=O	ZINC000005196868	304228961	/nfs/dbraw/zinc/22/89/61/304228961.db2.gz	JDIGKEZULOGALK-UHFFFAOYSA-N	-1	0	319.110	3.407	50	5		DGBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1	ZINC000003069527	431282241	/nfs/dbraw/zinc/28/22/41/431282241.db2.gz	REAXFDPZKNULSH-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
CCCCN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O	ZINC000015010959	431600868	/nfs/dbraw/zinc/60/08/68/431600868.db2.gz	CCLCOYJNPCGMSH-WQLSENKSSA-N	-1	0	322.342	3.137	50	5		DGBARM
Cc1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)cc1C	ZINC000032935325	431802275	/nfs/dbraw/zinc/80/22/75/431802275.db2.gz	ZGQZXSKQHIPRQK-UHFFFAOYSA-N	-1	0	324.333	3.152	50	5		DGBARM
C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000081805114	192326784	/nfs/dbraw/zinc/32/67/84/192326784.db2.gz	WTBIFXKGQTYHBM-SNVBAGLBSA-N	-1	0	320.370	3.065	50	5		DGBARM
CCOc1ccc(Nc2ccc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000071770017	191030017	/nfs/dbraw/zinc/03/00/17/191030017.db2.gz	RFVINDWAONCWIK-UHFFFAOYSA-N	-1	0	302.286	3.435	50	5		DGBARM
O=C(CSc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004843165	181162008	/nfs/dbraw/zinc/16/20/08/181162008.db2.gz	VHFIJCIPWJZKHY-UHFFFAOYSA-N	-1	0	322.317	3.170	50	5		DGBARM
COc1ccc(C)cc1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000005158526	181211933	/nfs/dbraw/zinc/21/19/33/181211933.db2.gz	CSAYXUVPUDUXAA-UHFFFAOYSA-N	-1	0	302.286	3.354	50	5		DGBARM
O=C([O-])c1cc2c(=O)c3ccccc3oc2nc1C(F)(F)F	ZINC000001399828	304228159	/nfs/dbraw/zinc/22/81/59/304228159.db2.gz	TVWQUGCVTXMXFU-UHFFFAOYSA-N	-1	0	309.199	3.058	50	5		DGBARM
O=c1oc2ccccc2cc1-c1nc2ccc([N+](=O)[O-])cc2[n-]1	ZINC000020615286	285229084	/nfs/dbraw/zinc/22/90/84/285229084.db2.gz	VPUBHDNOALUVRW-UHFFFAOYSA-N	-1	0	307.265	3.245	50	5		DGBARM
O=C([O-])c1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000000241648	431150628	/nfs/dbraw/zinc/15/06/28/431150628.db2.gz	BWPFHRFTQDLAEL-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
CCOc1ccc(-c2ccc(/C=C/C(=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000070461198	431251550	/nfs/dbraw/zinc/25/15/50/431251550.db2.gz	HLOQGTSFUOBYLL-VMPITWQZSA-N	-1	0	303.270	3.351	50	5		DGBARM
O=c1cc([O-])c2c(=O)n(C3CCCCC3)c3ccccc3c2o1	ZINC000013399947	431555011	/nfs/dbraw/zinc/55/50/11/431555011.db2.gz	UIHYUKFWBJCQDS-UHFFFAOYSA-N	-1	0	311.337	3.319	50	5		DGBARM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])[C@H]1[C@@H]2CCC=CCC[C@@H]21	ZINC000670476029	547759834	/nfs/dbraw/zinc/75/98/34/547759834.db2.gz	WAYPPSKMSVGURY-JYAVWHMHSA-N	-1	0	302.330	3.231	50	5		DGBARM
O=C(Nc1ccc([O-])c([N+](=O)[O-])c1)C1CCC(F)(F)CC1	ZINC000166110215	432058369	/nfs/dbraw/zinc/05/83/69/432058369.db2.gz	KNWJXOFEPZHFIH-UHFFFAOYSA-N	-1	0	300.261	3.064	50	5		DGBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(Cl)c1	ZINC000000431989	431180084	/nfs/dbraw/zinc/18/00/84/431180084.db2.gz	FHDKXSNXCIAHQB-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
CSc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000002813008	431273036	/nfs/dbraw/zinc/27/30/36/431273036.db2.gz	QGCIRYUQRUBXNU-UHFFFAOYSA-N	-1	0	324.383	3.118	50	5		DGBARM
C[C@@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000225460668	432691794	/nfs/dbraw/zinc/69/17/94/432691794.db2.gz	GRIKXMGAWMARGW-WZRBSPASSA-N	-1	0	322.361	3.223	50	5		DGBARM
O=C(Cc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000005049772	181197047	/nfs/dbraw/zinc/19/70/47/181197047.db2.gz	BKXMGYIYNNMAHF-UHFFFAOYSA-N	-1	0	306.705	3.135	50	5		DGBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1ccc(Cl)cc1	ZINC000003150098	304265312	/nfs/dbraw/zinc/26/53/12/304265312.db2.gz	PKXMKANXITUNGQ-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
C[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000089540997	431869714	/nfs/dbraw/zinc/86/97/14/431869714.db2.gz	DYFYQZFFFGDEQR-NTZNESFSSA-N	-1	0	322.361	3.223	50	5		DGBARM
CCOc1ccc(/C=C\c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000096919996	431955898	/nfs/dbraw/zinc/95/58/98/431955898.db2.gz	DPKDYKFSLDCFFY-YVMONPNESA-N	-1	0	314.297	3.257	50	5		DGBARM
O=C([O-])c1cc([N+](=O)[O-])cnc1/C=C\c1cc(F)ccc1F	ZINC000097152260	431963630	/nfs/dbraw/zinc/96/36/30/431963630.db2.gz	DCJOWSUARLFSMP-RJRFIUFISA-N	-1	0	306.224	3.137	50	5		DGBARM
O=C(Nc1nnc(C2CCCC2)s1)c1ccc([N+](=O)[O-])cc1	ZINC000000620390	431206622	/nfs/dbraw/zinc/20/66/22/431206622.db2.gz	WLIRADZQVGGGLV-UHFFFAOYSA-N	-1	0	318.358	3.356	50	5		DGBARM
O=C(c1c[nH]c2nc(=O)c3ccccc3c-2c1)c1ccccc1[O-]	ZINC000012893094	431534226	/nfs/dbraw/zinc/53/42/26/431534226.db2.gz	YDOFNVUFGAUTIU-UHFFFAOYSA-N	-1	0	316.316	3.013	50	5		DGBARM
CCOc1ccccc1/C=C\c1ncc([N+](=O)[O-])cc1C(=O)[O-]	ZINC000096893584	185390539	/nfs/dbraw/zinc/39/05/39/185390539.db2.gz	PMTFEGCYGNLDJD-FPLPWBNLSA-N	-1	0	314.297	3.257	50	5		DGBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2ccccc2F)c([N+](=O)[O-])c1	ZINC000104230469	432015892	/nfs/dbraw/zinc/01/58/92/432015892.db2.gz	ICPWCBARTQWDKC-UHFFFAOYSA-N	-1	0	322.208	3.294	50	5		DGBARM
O=C([O-])Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000004207423	181085583	/nfs/dbraw/zinc/08/55/83/181085583.db2.gz	YBTSLPDFKYBZHZ-UHFFFAOYSA-N	-1	0	323.308	3.075	50	5		DGBARM
O=C([O-])c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000005068010	181199471	/nfs/dbraw/zinc/19/94/71/181199471.db2.gz	CMNHJXYZEQIKTG-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
O=C([O-])c1cccc([N+](=O)[O-])c1C(=O)Nc1cccc(Cl)c1	ZINC000000439345	431183945	/nfs/dbraw/zinc/18/39/45/431183945.db2.gz	OSZGCLSMWWSHFK-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1O	ZINC000001599009	431233043	/nfs/dbraw/zinc/23/30/43/431233043.db2.gz	YGDVHZZZOGFPNF-DUXPYHPUSA-N	-1	0	316.269	3.388	50	5		DGBARM
O=C([N-]c1cc([N+](=O)[O-])ccc1Cl)c1ccc([N+](=O)[O-])o1	ZINC000002494007	431253736	/nfs/dbraw/zinc/25/37/36/431253736.db2.gz	ZOKDXQKNSWXTLH-UHFFFAOYSA-N	-1	0	311.637	3.002	50	5		DGBARM
Cc1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1C	ZINC000003138958	431284144	/nfs/dbraw/zinc/28/41/44/431284144.db2.gz	KNUICVKDMQGVFJ-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
Cc1cc([N+](=O)[O-])c(NC2(C(=O)[O-])CCCCC2)c([N+](=O)[O-])c1	ZINC000004054560	431295792	/nfs/dbraw/zinc/29/57/92/431295792.db2.gz	STLWQKPVDLVAND-UHFFFAOYSA-N	-1	0	323.305	3.011	50	5		DGBARM
O=[N+]([O-])c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1	ZINC000005364133	431307965	/nfs/dbraw/zinc/30/79/65/431307965.db2.gz	BCYFUFLCKVRBLS-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
O=C([O-])/C=C\c1cnc(/C=C/c2csc([N+](=O)[O-])c2)s1	ZINC000104252434	627416860	/nfs/dbraw/zinc/41/68/60/627416860.db2.gz	LMGYEXZQPQBEHU-TZFCGSKZSA-N	-1	0	308.340	3.381	50	5		DGBARM
CCOc1cc(C(=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000227156705	201795158	/nfs/dbraw/zinc/79/51/58/201795158.db2.gz	LFHKGUVUSYSLAQ-UHFFFAOYSA-N	-1	0	317.297	3.271	50	5		DGBARM
Cc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2[O-])cc1	ZINC000004868462	181166289	/nfs/dbraw/zinc/16/62/89/181166289.db2.gz	JYAFYBBKRYKUTL-UHFFFAOYSA-N	-1	0	318.354	3.340	50	5		DGBARM
CCOc1ccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005158521	181211938	/nfs/dbraw/zinc/21/19/38/181211938.db2.gz	ZFGDFYZZJIDOBX-UHFFFAOYSA-N	-1	0	302.286	3.435	50	5		DGBARM
Cc1ccc([N-]S(=O)(=O)c2ccc(C)cc2[N+](=O)[O-])cc1	ZINC000005260140	181223749	/nfs/dbraw/zinc/22/37/49/181223749.db2.gz	XYVCGYRCTPSLBW-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
CC[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(C)cc1	ZINC000017841801	182086228	/nfs/dbraw/zinc/08/62/28/182086228.db2.gz	HIGKRPPESXEVKW-AWEZNQCLSA-N	-1	0	314.341	3.490	50	5		DGBARM
O=C([O-])c1ccc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000001051136	431212495	/nfs/dbraw/zinc/21/24/95/431212495.db2.gz	ORPHEEJPDFCGKE-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
O=c1c(-c2cccc(Cl)c2)c[n-]n1-c1cccc([N+](=O)[O-])c1	ZINC000003133806	431285382	/nfs/dbraw/zinc/28/53/82/431285382.db2.gz	JCMRNYAEGGOWCY-UHFFFAOYSA-N	-1	0	315.716	3.394	50	5		DGBARM
Cc1c(NC(=O)CC2(C(=O)[O-])CCCCC2)cccc1[N+](=O)[O-]	ZINC000013249290	431552329	/nfs/dbraw/zinc/55/23/29/431552329.db2.gz	DMQLRGMPHYBNSB-UHFFFAOYSA-N	-1	0	320.345	3.267	50	5		DGBARM
CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])c([O-])c2)c1	ZINC000035334127	431830450	/nfs/dbraw/zinc/83/04/50/431830450.db2.gz	YVLSYEYBLCJZOR-UHFFFAOYSA-N	-1	0	304.327	3.275	50	5		DGBARM
C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000225460733	432690967	/nfs/dbraw/zinc/69/09/67/432690967.db2.gz	GRIKXMGAWMARGW-NQBHXWOUSA-N	-1	0	322.361	3.223	50	5		DGBARM
Cc1c(Br)cc(Br)c([O-])c1[N+](=O)[O-]	ZINC000261507228	563462199	/nfs/dbraw/zinc/46/21/99/563462199.db2.gz	GQVJTLKZTHZMPZ-UHFFFAOYSA-N	-1	0	310.929	3.134	50	5		DGBARM
COc1cc([N-]c2ccccc2Cl)c([N+](=O)[O-])nc1[N+](=O)[O-]	ZINC000004981670	181183459	/nfs/dbraw/zinc/18/34/59/181183459.db2.gz	NAWUVGVTDMMZCQ-UHFFFAOYSA-N	-1	0	324.680	3.304	50	5		DGBARM
CO[C@@H](C)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2[O-])c1	ZINC000130849912	196115642	/nfs/dbraw/zinc/11/56/42/196115642.db2.gz	RRIXDGOCWLDBHO-JTQLQIEISA-N	-1	0	316.313	3.260	50	5		DGBARM
O=C([O-])c1ccccc1SCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000000080182	431120377	/nfs/dbraw/zinc/12/03/77/431120377.db2.gz	DTQZERMRFCQRDA-UHFFFAOYSA-N	-1	0	317.322	3.268	50	5		DGBARM
O=C([O-])c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000000155213	431137768	/nfs/dbraw/zinc/13/77/68/431137768.db2.gz	RITAQDHCJBLSSL-UHFFFAOYSA-N	-1	0	305.673	3.177	50	5		DGBARM
O=C([O-])c1ccccc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000003127013	431283442	/nfs/dbraw/zinc/28/34/42/431283442.db2.gz	UIUYEACHGPLUCJ-UHFFFAOYSA-N	-1	0	320.282	3.352	50	5		DGBARM
O=C(Nc1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000035307610	431828142	/nfs/dbraw/zinc/82/81/42/431828142.db2.gz	WXPDXEPXZUHXIN-UHFFFAOYSA-N	-1	0	324.239	3.154	50	5		DGBARM
O=C([N-]c1nc(-c2cccs2)ns1)c1ccc([N+](=O)[O-])o1	ZINC000095997317	431933658	/nfs/dbraw/zinc/93/36/58/431933658.db2.gz	BULKLDUVLAEGRH-UHFFFAOYSA-N	-1	0	322.327	3.020	50	5		DGBARM
O=C([O-])/C=C\c1csc(/C=C\c2ccccc2[N+](=O)[O-])n1	ZINC000885672963	627041955	/nfs/dbraw/zinc/04/19/55/627041955.db2.gz	ZLQNKEYRAOUMQP-SFECMWDFSA-N	-1	0	302.311	3.320	50	5		DGBARM
O=C([O-])/C=C\c1cnc(/C=C\c2csc([N+](=O)[O-])c2)s1	ZINC000104252430	627416796	/nfs/dbraw/zinc/41/67/96/627416796.db2.gz	LMGYEXZQPQBEHU-CCAGOZQPSA-N	-1	0	308.340	3.381	50	5		DGBARM
CCCC[C@@H](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000002353255	180920421	/nfs/dbraw/zinc/92/04/21/180920421.db2.gz	KEOUQFKUDYSYGK-NSHDSACASA-N	-1	0	308.334	3.205	50	5		DGBARM
CC(=O)c1cccc(Nc2ccc(C(=O)[O-])cc2[N+](=O)[O-])c1	ZINC000003913788	181058077	/nfs/dbraw/zinc/05/80/77/181058077.db2.gz	SRTULMVWKQAITG-UHFFFAOYSA-N	-1	0	300.270	3.239	50	5		DGBARM
CO[C@@H](C)c1cccc(NC(=O)c2ccc([O-])c([N+](=O)[O-])c2)c1	ZINC000164489384	432046972	/nfs/dbraw/zinc/04/69/72/432046972.db2.gz	ROZQXUYIKTVLIZ-JTQLQIEISA-N	-1	0	316.313	3.260	50	5		DGBARM
O=C([O-])c1ccc2c(=O)n3c4ccccc4nc3c3cccc1c32	ZINC000003145708	304251528	/nfs/dbraw/zinc/25/15/28/304251528.db2.gz	JGRDRFCADRXNEJ-UHFFFAOYSA-N	-1	0	314.300	3.290	50	5		DGBARM
O=c1c(-c2ccc(Cl)cc2)c[n-]n1-c1cccc([N+](=O)[O-])c1	ZINC000003133803	431284263	/nfs/dbraw/zinc/28/42/63/431284263.db2.gz	CMHMOWYIIHMOAS-UHFFFAOYSA-N	-1	0	315.716	3.394	50	5		DGBARM
Cc1ccc([O-])c(C(=O)c2cnn(-c3ccccc3[N+](=O)[O-])c2)c1	ZINC000002660968	431262792	/nfs/dbraw/zinc/26/27/92/431262792.db2.gz	YAZZCSGHVIIKJT-UHFFFAOYSA-N	-1	0	323.308	3.026	50	5		DGBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@H](C[N+](=O)[O-])c1ccccc1	ZINC000100848880	431983100	/nfs/dbraw/zinc/98/31/00/431983100.db2.gz	BSCCCXPUMCWTAK-INIZCTEOSA-N	-1	0	323.352	3.295	50	5		DGBARM
Cc1[n-]n(-c2ccccc2)c(=O)c1[C@H](C[N+](=O)[O-])c1ccccc1	ZINC000100848882	431983139	/nfs/dbraw/zinc/98/31/39/431983139.db2.gz	BSCCCXPUMCWTAK-MRXNPFEDSA-N	-1	0	323.352	3.295	50	5		DGBARM
Cc1cc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000000168401	301190151	/nfs/dbraw/zinc/19/01/51/301190151.db2.gz	MMCBTAQFEJVYTK-UHFFFAOYSA-N	-1	0	320.370	3.321	50	5		DGBARM
O=[N+]([O-])c1ccc([N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000095676348	185383049	/nfs/dbraw/zinc/38/30/49/185383049.db2.gz	MQZAHSOZWFOSGD-UHFFFAOYSA-N	-1	0	304.218	3.155	50	5		DGBARM
CN(CCCC(=O)[O-])c1nc(-c2cccc([N+](=O)[O-])c2)cs1	ZINC000004693822	181138025	/nfs/dbraw/zinc/13/80/25/181138025.db2.gz	HAWZIXNFDMGQCJ-UHFFFAOYSA-N	-1	0	321.358	3.019	50	5		DGBARM
CSc1cccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000005051128	181197173	/nfs/dbraw/zinc/19/71/73/181197173.db2.gz	PZKPPOVXRXZNIN-UHFFFAOYSA-N	-1	0	324.383	3.118	50	5		DGBARM
O=C([O-])[C@@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000015443715	304106763	/nfs/dbraw/zinc/10/67/63/304106763.db2.gz	SNQXBGASHVBPGQ-JTQLQIEISA-N	-1	0	318.251	3.057	50	5		DGBARM
O=C([O-])c1ccc(COc2cc([N+](=O)[O-])cc3cccnc32)o1	ZINC000000549388	431200408	/nfs/dbraw/zinc/20/04/08/431200408.db2.gz	DOWZRUVIDAOZPK-UHFFFAOYSA-N	-1	0	314.253	3.013	50	5		DGBARM
O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000000240905	431150747	/nfs/dbraw/zinc/15/07/47/431150747.db2.gz	MXISZBJRYUVWNX-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000271625	431156548	/nfs/dbraw/zinc/15/65/48/431156548.db2.gz	PDFQBOINVLVHBJ-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2C)cccc1C(=O)[O-]	ZINC000000616069	431207996	/nfs/dbraw/zinc/20/79/96/431207996.db2.gz	LPRHEIIRBCBAKL-UHFFFAOYSA-N	-1	0	314.297	3.162	50	5		DGBARM
O=C(Nc1cc([N+](=O)[O-])ccc1[O-])c1csc2c1CCCC2	ZINC000035347537	431831442	/nfs/dbraw/zinc/83/14/42/431831442.db2.gz	QVDRXZKLXZHKAY-UHFFFAOYSA-N	-1	0	318.354	3.493	50	5		DGBARM
Cc1ccc([N+](=O)[O-])c([N-]S(=O)(=O)c2ccc(F)c(C)c2)c1	ZINC000095995733	431933637	/nfs/dbraw/zinc/93/36/37/431933637.db2.gz	ITLASTQMMIPTFQ-UHFFFAOYSA-N	-1	0	324.333	3.152	50	5		DGBARM
Cc1[n-]n(-c2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(=O)c1C	ZINC000100686808	431982692	/nfs/dbraw/zinc/98/26/92/431982692.db2.gz	LEJAQCBKHAZCAO-UHFFFAOYSA-N	-1	0	316.342	3.226	50	5		DGBARM
O=C(Nc1ccccc1OC(F)F)c1cccc([O-])c1[N+](=O)[O-]	ZINC000253417845	432396094	/nfs/dbraw/zinc/39/60/94/432396094.db2.gz	QDLFRZMOLRYYFL-UHFFFAOYSA-N	-1	0	324.239	3.154	50	5		DGBARM
Cc1c(Br)c([O-])c(Br)cc1[N+](=O)[O-]	ZINC000002525185	300908720	/nfs/dbraw/zinc/90/87/20/300908720.db2.gz	IPHPHFJJKHXWHH-UHFFFAOYSA-N	-1	0	310.929	3.134	50	5		DGBARM
COc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])cc1	ZINC000004014070	181062149	/nfs/dbraw/zinc/06/21/49/181062149.db2.gz	BBVVUXKKUJDEND-UHFFFAOYSA-N	-1	0	322.704	3.215	50	5		DGBARM
Cc1cc([N-]S(=O)(=O)c2ccccc2)c([N+](=O)[O-])cc1C	ZINC000005041852	181195576	/nfs/dbraw/zinc/19/55/76/181195576.db2.gz	IDNGETHVPVXHFL-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
O=C([O-])Cn1c2ccc(Cl)cc2c2nc3ccccc3nc21	ZINC000000553175	304090995	/nfs/dbraw/zinc/09/09/95/304090995.db2.gz	MXJZDWLGEUXNPN-UHFFFAOYSA-N	-1	0	311.728	3.476	50	5		DGBARM
O=C([O-])c1ccc(COc2cc([N+](=O)[O-])cc3cccnc32)cc1	ZINC000000172011	431138781	/nfs/dbraw/zinc/13/87/81/431138781.db2.gz	GUGQNPMQHSXXBS-UHFFFAOYSA-N	-1	0	324.292	3.420	50	5		DGBARM
C[C@@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1ccc(F)c(F)c1	ZINC000035310604	431830018	/nfs/dbraw/zinc/83/00/18/431830018.db2.gz	LUHVLTKMDCCCOP-MRVPVSSYSA-N	-1	0	322.267	3.070	50	5		DGBARM
C[C@@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000225451439	432691224	/nfs/dbraw/zinc/69/12/24/432691224.db2.gz	DYFYQZFFFGDEQR-NQBHXWOUSA-N	-1	0	322.361	3.223	50	5		DGBARM
O=C([O-])/C=C/c1csc(/C=C\c2ccccc2[N+](=O)[O-])n1	ZINC000885672962	627041928	/nfs/dbraw/zinc/04/19/28/627041928.db2.gz	ZLQNKEYRAOUMQP-CGXWXWIYSA-N	-1	0	302.311	3.320	50	5		DGBARM
O=C([O-])c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1	ZINC000000460220	180797758	/nfs/dbraw/zinc/79/77/58/180797758.db2.gz	KGMUWYYQNULYQO-UHFFFAOYSA-N	-1	0	309.281	3.146	50	5		DGBARM
Cc1ccc(NC(=O)c2c(C(=O)[O-])cccc2[N+](=O)[O-])cc1C	ZINC000000482146	431190241	/nfs/dbraw/zinc/19/02/41/431190241.db2.gz	PFRRDZIYRQNJLV-UHFFFAOYSA-N	-1	0	314.297	3.162	50	5		DGBARM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000005260194	431308241	/nfs/dbraw/zinc/30/82/41/431308241.db2.gz	JMLNLSOYAVHNQQ-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
C[C@@H](C(=O)Nc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cccnc1	ZINC000097114571	431961887	/nfs/dbraw/zinc/96/18/87/431961887.db2.gz	YMOVGNQJAFNOKY-MRVPVSSYSA-N	-1	0	321.720	3.091	50	5		DGBARM
O=C1Nc2ccccc2/C1=C/c1cc(Cl)cc([N+](=O)[O-])c1[O-]	ZINC000033458663	620694727	/nfs/dbraw/zinc/69/47/27/620694727.db2.gz	PUTSWYWHAIOCEW-WDZFZDKYSA-N	-1	0	316.700	3.447	50	5		DGBARM
O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000002166229	180913376	/nfs/dbraw/zinc/91/33/76/180913376.db2.gz	VAGZUCBTHOUBNV-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
CSc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000571654	431202788	/nfs/dbraw/zinc/20/27/88/431202788.db2.gz	OAKKBHXEKSGNGX-UHFFFAOYSA-N	-1	0	324.383	3.118	50	5		DGBARM
CCOc1ccc(/C=C/c2ncc([N+](=O)[O-])cc2C(=O)[O-])cc1	ZINC000048236596	431921692	/nfs/dbraw/zinc/92/16/92/431921692.db2.gz	DPKDYKFSLDCFFY-VMPITWQZSA-N	-1	0	314.297	3.257	50	5		DGBARM
Cc1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C	ZINC000004289710	181093173	/nfs/dbraw/zinc/09/31/73/181093173.db2.gz	IHSYIEXTJLHNDD-UHFFFAOYSA-N	-1	0	320.370	3.321	50	5		DGBARM
O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1	ZINC000005009355	181189715	/nfs/dbraw/zinc/18/97/15/181189715.db2.gz	OZPFHNBNDPHUOO-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
CSc1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1	ZINC000005027809	181192376	/nfs/dbraw/zinc/19/23/76/181192376.db2.gz	VDQQDCBCQJBBRI-UHFFFAOYSA-N	-1	0	324.383	3.118	50	5		DGBARM
Cc1ccccc1[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000017964333	182089031	/nfs/dbraw/zinc/08/90/31/182089031.db2.gz	KWJWLJSNVBSWID-NSHDSACASA-N	-1	0	300.314	3.100	50	5		DGBARM
C[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000155942272	197075550	/nfs/dbraw/zinc/07/55/50/197075550.db2.gz	GRIKXMGAWMARGW-MDZLAQPJSA-N	-1	0	322.361	3.223	50	5		DGBARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cc1ccccc1	ZINC000105413276	400321667	/nfs/dbraw/zinc/32/16/67/400321667.db2.gz	BZSAEJZNGHWAAN-INIZCTEOSA-N	-1	0	309.325	3.176	50	5		DGBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c(C2=C([O-])c3ccccc3CC2)s1	ZINC000005379339	431307781	/nfs/dbraw/zinc/30/77/81/431307781.db2.gz	PTODVXRTYIZPEL-SNVBAGLBSA-N	-1	0	318.310	3.477	50	5		DGBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1NCCCc1ccccc1	ZINC000003873822	181050429	/nfs/dbraw/zinc/05/04/29/181050429.db2.gz	WBSMIPAMAXNXFS-UHFFFAOYSA-N	-1	0	300.314	3.338	50	5	in-vivo	DGBARM
Cc1ccccc1[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c([O-])c1	ZINC000017964331	182089035	/nfs/dbraw/zinc/08/90/35/182089035.db2.gz	KWJWLJSNVBSWID-LLVKDONJSA-N	-1	0	300.314	3.100	50	5		DGBARM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000300591	431161286	/nfs/dbraw/zinc/16/12/86/431161286.db2.gz	WPARMAVNERJPOK-UHFFFAOYSA-N	-1	0	320.370	3.266	50	5		DGBARM
COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccc1[O-]	ZINC000000263551	431157719	/nfs/dbraw/zinc/15/77/19/431157719.db2.gz	XUVVLXCUCBJPRM-UHFFFAOYSA-N	-1	0	322.704	3.215	50	5		DGBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c(C2=C([O-])c3ccccc3CC2)s1	ZINC000005379325	431307460	/nfs/dbraw/zinc/30/74/60/431307460.db2.gz	PTODVXRTYIZPEL-JTQLQIEISA-N	-1	0	318.310	3.477	50	5		DGBARM
CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000003998855	280335664	/nfs/dbraw/zinc/33/56/64/280335664.db2.gz	YKANMRVNHVYATD-JTQLQIEISA-N	-1	0	306.240	3.135	50	5		DGBARM
Cc1ccc(C)c([N-]S(=O)(=O)c2c(F)cccc2[N+](=O)[O-])c1	ZINC000058004683	301549105	/nfs/dbraw/zinc/54/91/05/301549105.db2.gz	LYXSYMALVOJRSJ-UHFFFAOYSA-N	-1	0	324.333	3.152	50	5		DGBARM
COc1cccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2[O-])c1	ZINC000004014081	181062342	/nfs/dbraw/zinc/06/23/42/181062342.db2.gz	ZZMZVNPERZQUAY-UHFFFAOYSA-N	-1	0	322.704	3.215	50	5		DGBARM
Cc1cc(C)c(S(=O)(=O)[N-]c2ccccc2[N+](=O)[O-])c(C)c1	ZINC000004130693	181077122	/nfs/dbraw/zinc/07/71/22/181077122.db2.gz	QCBRGFUTPHCMRB-UHFFFAOYSA-N	-1	0	320.370	3.321	50	5		DGBARM
COc1ccc(Cl)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	ZINC000004832786	181158623	/nfs/dbraw/zinc/15/86/23/181158623.db2.gz	JXXZQUYANLNSFL-UHFFFAOYSA-N	-1	0	322.704	3.215	50	5		DGBARM
Cc1ccc(C(=O)[O-])cc1NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005041178	181195166	/nfs/dbraw/zinc/19/51/66/181195166.db2.gz	IDXSPXWITCNZLM-UHFFFAOYSA-N	-1	0	315.285	3.245	50	5		DGBARM
O=C([O-])/C=C/c1nc(-c2cccc([N+](=O)[O-])c2)n2ccccc12	ZINC000000065114	431117982	/nfs/dbraw/zinc/11/79/82/431117982.db2.gz	IIGIQBWHQQNSHJ-BQYQJAHWSA-N	-1	0	309.281	3.007	50	5		DGBARM
Cc1cccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1C	ZINC000000298901	431162312	/nfs/dbraw/zinc/16/23/12/431162312.db2.gz	YOPZMASSVRTSOW-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
Cc1ccc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2[O-])cc1	ZINC000035900081	431833886	/nfs/dbraw/zinc/83/38/86/431833886.db2.gz	YGEAMKXNJBSFEW-UHFFFAOYSA-N	-1	0	318.354	3.340	50	5		DGBARM
O=C([O-])/C=C/c1cnc(/C=C\c2csc([N+](=O)[O-])c2)s1	ZINC000104252439	627416900	/nfs/dbraw/zinc/41/69/00/627416900.db2.gz	LMGYEXZQPQBEHU-HSFFGMMNSA-N	-1	0	308.340	3.381	50	5		DGBARM
CCOc1ccccc1Nc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	ZINC000005158543	181212123	/nfs/dbraw/zinc/21/21/23/181212123.db2.gz	PNYCZIXWKNKHFO-UHFFFAOYSA-N	-1	0	302.286	3.435	50	5		DGBARM
O=C([O-])Cn1c2nc3ccccc3nc2c2cccc(Cl)c21	ZINC000005021848	304090915	/nfs/dbraw/zinc/09/09/15/304090915.db2.gz	OOAAFILSBWPKAI-UHFFFAOYSA-N	-1	0	311.728	3.476	50	5		DGBARM
O=C([O-])[C@H]1CCCCN1c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000015443717	304181164	/nfs/dbraw/zinc/18/11/64/304181164.db2.gz	SNQXBGASHVBPGQ-SNVBAGLBSA-N	-1	0	318.251	3.057	50	5		DGBARM
O=C([O-])c1ccccc1SCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000080174	431119131	/nfs/dbraw/zinc/11/91/31/431119131.db2.gz	MXDHNMGVRFIAKV-UHFFFAOYSA-N	-1	0	317.322	3.268	50	5		DGBARM
Cc1cc(C)cc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000000272744	431160355	/nfs/dbraw/zinc/16/03/55/431160355.db2.gz	BDSRIFVUDPZINF-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
Cc1cccc(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c1	ZINC000004622089	431301709	/nfs/dbraw/zinc/30/17/09/431301709.db2.gz	XOKZJAJUJIZWPG-UHFFFAOYSA-N	-1	0	315.354	3.030	50	5		DGBARM
Cc1cccc([N-]S(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1C	ZINC000008778971	431415199	/nfs/dbraw/zinc/41/51/99/431415199.db2.gz	QLWXBUNNRMKZDE-UHFFFAOYSA-N	-1	0	324.333	3.152	50	5		DGBARM
CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])c([O-])c1)c1cccs1	ZINC000034872630	431822114	/nfs/dbraw/zinc/82/21/14/431822114.db2.gz	PGKPREMYGPZIKE-AWEZNQCLSA-N	-1	0	320.370	3.489	50	5		DGBARM
Cc1cccc(C)c1NC(=O)c1c(C(=O)[O-])cccc1[N+](=O)[O-]	ZINC000003133984	301976112	/nfs/dbraw/zinc/97/61/12/301976112.db2.gz	VEBCFMCNGILJIG-UHFFFAOYSA-N	-1	0	314.297	3.162	50	5		DGBARM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])C1[C@@H]2CCC=CCC[C@@H]12	ZINC000005009859	545646971	/nfs/dbraw/zinc/64/69/71/545646971.db2.gz	WAYPPSKMSVGURY-VXGBXAGGSA-N	-1	0	302.330	3.231	50	5		DGBARM
O=C([O-])/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000001667261	304023020	/nfs/dbraw/zinc/02/30/20/304023020.db2.gz	MJNHSMCHYCVNAZ-NTEUORMPSA-N	-1	0	314.253	3.128	50	5		DGBARM
Cc1[n-]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1Cc1ccccc1	ZINC000004948502	181178228	/nfs/dbraw/zinc/17/82/28/181178228.db2.gz	BZSAEJZNGHWAAN-MRXNPFEDSA-N	-1	0	309.325	3.176	50	5		DGBARM
O=C([O-])c1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000000041124	431113085	/nfs/dbraw/zinc/11/30/85/431113085.db2.gz	FKSAINWXPBNXQN-UHFFFAOYSA-N	-1	0	320.688	3.199	50	5		DGBARM
COc1cc(CNc2ccc(F)c(F)c2)cc([N+](=O)[O-])c1[O-]	ZINC000034860051	431822524	/nfs/dbraw/zinc/82/25/24/431822524.db2.gz	IOMLLUUIQGWVFJ-UHFFFAOYSA-N	-1	0	310.256	3.199	50	5		DGBARM
C[C@H](c1ccco1)N(C(=O)c1ccc([N+](=O)[O-])c([O-])c1)C1CC1	ZINC000097080085	431959206	/nfs/dbraw/zinc/95/92/06/431959206.db2.gz	GFJHBZVNWHAZRB-SNVBAGLBSA-N	-1	0	316.313	3.259	50	5		DGBARM
O=C([O-])/C(=C\c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	ZINC000001667262	304023028	/nfs/dbraw/zinc/02/30/28/304023028.db2.gz	MJNHSMCHYCVNAZ-ZROIWOOFSA-N	-1	0	314.253	3.128	50	5		DGBARM
CCc1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000004289713	181092723	/nfs/dbraw/zinc/09/27/23/181092723.db2.gz	DJRRZERDROOEKD-UHFFFAOYSA-N	-1	0	320.370	3.266	50	5		DGBARM
COc1cccc2sc(NC(=O)c3ccc([N+](=O)[O-])o3)nc21	ZINC000000090791	431121603	/nfs/dbraw/zinc/12/16/03/431121603.db2.gz	ZBDGUDDZLCHJHI-UHFFFAOYSA-N	-1	0	319.298	3.058	50	5		DGBARM
CCCC[C@H](CCC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)[O-]	ZINC000002353256	431251647	/nfs/dbraw/zinc/25/16/47/431251647.db2.gz	KEOUQFKUDYSYGK-LLVKDONJSA-N	-1	0	308.334	3.205	50	5		DGBARM
O=C(Nc1ccc([N+](=O)[O-])cc1[O-])C1[C@H]2CCC=CCC[C@H]12	ZINC000005009855	545646503	/nfs/dbraw/zinc/64/65/03/545646503.db2.gz	WAYPPSKMSVGURY-RYUDHWBXSA-N	-1	0	302.330	3.231	50	5		DGBARM
O=C([O-])c1cc([N+](=O)[O-])c(Nc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000670417732	547752836	/nfs/dbraw/zinc/75/28/36/547752836.db2.gz	VPARZMSJIWMKQB-UHFFFAOYSA-N	-1	0	321.220	3.084	50	5		DGBARM
CCc1cccc(C)c1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000003833311	181047560	/nfs/dbraw/zinc/04/75/60/181047560.db2.gz	KPIXZZAHGNIDQB-UHFFFAOYSA-N	-1	0	320.370	3.266	50	5		DGBARM
O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(F)cc2)c([O-])c1	ZINC000005093689	181203102	/nfs/dbraw/zinc/20/31/02/181203102.db2.gz	YPUKVBCLZYPGHB-UHFFFAOYSA-N	-1	0	307.306	3.248	50	5		DGBARM
O=C([O-])c1cc2c(c3c4ccccc4cc([N+](=O)[O-])c13)OCO2	ZINC000002383163	304228421	/nfs/dbraw/zinc/22/84/21/304228421.db2.gz	MEEXETVZNQYRSP-UHFFFAOYSA-N	-1	0	311.249	3.328	50	5	biogenic,in-vitro	DGBARM
O=[N+]([O-])c1ccc([O-])cc1CN1CCCC[C@@H]1c1cccnc1	ZINC000022078432	400198285	/nfs/dbraw/zinc/19/82/85/400198285.db2.gz	XYWWRVKWYFXXJC-MRXNPFEDSA-N	-1	0	313.357	3.423	50	5		DGBARM
O=C([O-])Cc1ccc2oc(-c3ccc([N+](=O)[O-])c(F)c3)nc2c1	ZINC000601014539	400204299	/nfs/dbraw/zinc/20/42/99/400204299.db2.gz	ROBQMRHMRJVONQ-UHFFFAOYSA-N	-1	0	316.244	3.169	50	5		DGBARM
CCOc1ccc(Nc2cc([N+](=O)[O-])ccc2C(=O)[O-])cc1	ZINC000001635586	431233141	/nfs/dbraw/zinc/23/31/41/431233141.db2.gz	DBRBTLBVIHPZLM-UHFFFAOYSA-N	-1	0	302.286	3.435	50	5		DGBARM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000002876115	431274977	/nfs/dbraw/zinc/27/49/77/431274977.db2.gz	IDARCIVKJLXMLK-UHFFFAOYSA-N	-1	0	314.297	3.162	50	5		DGBARM
O=[N+]([O-])c1ccc([N-]S(=O)(=O)c2cccc(Cl)c2)cc1	ZINC000008156859	431383214	/nfs/dbraw/zinc/38/32/14/431383214.db2.gz	OTHULKHHMZIHSG-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
O=[N+]([O-])c1ccc([O-])c(CSc2nc3ccccc3[nH]2)c1	ZINC000034772748	431818423	/nfs/dbraw/zinc/81/84/23/431818423.db2.gz	RUXQHQJWVMOXHR-UHFFFAOYSA-N	-1	0	301.327	3.469	50	5		DGBARM
Cc1ccc(C)c2c1c1nc3ccccc3nc1n2CC(=O)[O-]	ZINC000004934479	301560230	/nfs/dbraw/zinc/56/02/30/301560230.db2.gz	HCXCCVSEEBIYLB-UHFFFAOYSA-N	-1	0	305.337	3.439	50	5		DGBARM
Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000008778966	301976593	/nfs/dbraw/zinc/97/65/93/301976593.db2.gz	RIFTWZJVRFGNDB-UHFFFAOYSA-N	-1	0	324.333	3.152	50	5		DGBARM
Cc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000058951250	545704031	/nfs/dbraw/zinc/70/40/31/545704031.db2.gz	XRDALBLAIADWRZ-UHFFFAOYSA-N	-1	0	317.257	3.253	50	5		DGBARM
CC(C)(C)c1cc([N+](=O)[O-])c([O-])c(-n2nc3ccccc3n2)c1	ZINC000019891515	182160636	/nfs/dbraw/zinc/16/06/36/182160636.db2.gz	CBFGLJXBEHBLON-UHFFFAOYSA-N	-1	0	312.329	3.332	50	5		DGBARM
O=C([O-])c1cc2c3ccccc3n3c2c(n1)c1ccccc1c3=O	ZINC000020759000	257261118	/nfs/dbraw/zinc/26/11/18/257261118.db2.gz	SDWXJAVDWZJDNZ-UHFFFAOYSA-N	-1	0	314.300	3.290	50	5	biogenic	DGBARM
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccccc1	ZINC000000241304	431150755	/nfs/dbraw/zinc/15/07/55/431150755.db2.gz	SKXKFNWRPFEUBZ-UHFFFAOYSA-N	-1	0	312.734	3.049	50	5		DGBARM
Cc1ccc(C)c([N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000272191	431159357	/nfs/dbraw/zinc/15/93/57/431159357.db2.gz	FXZJNYOSPFOIHZ-UHFFFAOYSA-N	-1	0	306.343	3.012	50	5		DGBARM
Cc1ccc(Nc2c(C(=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005588709	431310801	/nfs/dbraw/zinc/31/08/01/431310801.db2.gz	QHHQGAVEOAJNIE-UHFFFAOYSA-N	-1	0	317.257	3.253	50	5		DGBARM
O=C([O-])c1ccccc1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000003190781	655885774	/nfs/dbraw/zinc/88/57/74/655885774.db2.gz	RLKAXSBPFSYKLF-UHFFFAOYSA-N	-1	0	305.673	3.177	50	5		DGBARM