smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)c([N+](=O)[O-])c(C(=O)[O-])c1	113207827	1169146994	/nfs/dbraw/zinc/14/69/94/1169146994.db2.gz	HGFCXXRETYVGMH-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5		ADBARM
O=Cc1cccc(C(=O)[O-])c1[N+](=O)[O-]	118144920	1169161923	/nfs/dbraw/zinc/16/19/23/1169161923.db2.gz	TVKKEQQMDSUJFW-UHFFFAOYSA-N	-1	0	195.130	1.106	50	5		ADBARM
Cc1nc([N+](=O)[O-])ccc1[O-]	39123518	571894059	/nfs/dbraw/zinc/89/40/59/571894059.db2.gz	ADKGQXOAJMAJRS-UHFFFAOYSA-N	-1	0	154.125	1.004	50	5		ADBARM
Cc1nccc([N+](=O)[O-])c1[O-]	115284555	486925455	/nfs/dbraw/zinc/92/54/55/486925455.db2.gz	UZTUQEPEJPQZBC-UHFFFAOYSA-N	-1	0	154.125	1.004	50	5		ADBARM
Cc1ccc([N+](=O)[O-])cc1C(=O)[O-]	156996	342929294	/nfs/dbraw/zinc/92/92/94/342929294.db2.gz	DJRFJAVPROZZFL-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5	in-vitro	ADBARM
Cc1cc([N+](=O)[O-])ccc1C(=O)[O-]	1757885	342963820	/nfs/dbraw/zinc/96/38/20/342963820.db2.gz	XXXOBNJIIZQSPT-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5		ADBARM
Cc1cc(C(=O)[O-])c(C)c([N+](=O)[O-])c1	1752319	342963843	/nfs/dbraw/zinc/96/38/43/342963843.db2.gz	CXGZFDGAQVAGHA-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5	in-vitro	ADBARM
Cc1[nH]c(C(=O)[O-])c(C)c1[N+](=O)[O-]	4343296	342990949	/nfs/dbraw/zinc/99/09/49/342990949.db2.gz	KETFLRPGHDJTMS-UHFFFAOYSA-N	-1	0	184.151	1.238	50	5		ADBARM
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1[O-]	12405045	343030877	/nfs/dbraw/zinc/03/08/77/343030877.db2.gz	ZXVONLUNISGICL-UHFFFAOYSA-N	-1	0	198.134	1.517	50	5	in-vitro	ADBARM
C[C@H](C(=O)[O-])c1cccc([N+](=O)[O-])c1	38271501	343186531	/nfs/dbraw/zinc/18/65/31/343186531.db2.gz	MSCZZRXBIBUPKG-LURJTMIESA-N	-1	0	195.174	1.783	50	5	in-vitro	ADBARM
Cc1cc(F)cc([N+](=O)[O-])c1[O-]	95670858	343685498	/nfs/dbraw/zinc/68/54/98/343685498.db2.gz	YSSPDRCAPPNOIU-UHFFFAOYSA-N	-1	0	171.127	1.748	50	5		ADBARM
Cc1cc(O)c(N)c(C)c1[N+](=O)[O-]	96345783	343696866	/nfs/dbraw/zinc/69/68/66/343696866.db2.gz	XSVSVJVKDMOQFS-UHFFFAOYSA-N	-1	0	182.179	1.499	50	5		ADBARM
C=C(C(=O)[O-])c1ccc([N+](=O)[O-])o1	38171327	166112887	/nfs/dbraw/zinc/11/28/87/166112887.db2.gz	CPDMLLBSRYTVHD-UHFFFAOYSA-N	-1	0	183.119	1.286	50	5		ADBARM
CC(=O)Nc1ccc([N+](=O)[O-])cc1[O-]	4363831	166283990	/nfs/dbraw/zinc/28/39/90/166283990.db2.gz	VVVCUZJRBFEICS-UHFFFAOYSA-N	-1	0	196.162	1.259	50	5	in-vitro	ADBARM
CC(=O)Nc1ccc([N+](=O)[O-])c([O-])c1	34380931	166284478	/nfs/dbraw/zinc/28/44/78/166284478.db2.gz	FULKEVNWMGUXNQ-UHFFFAOYSA-N	-1	0	196.162	1.259	50	5		ADBARM
CC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	35989683	166284546	/nfs/dbraw/zinc/28/45/46/166284546.db2.gz	XZYRROIQJHLVRG-UHFFFAOYSA-N	-1	0	196.162	1.259	50	5		ADBARM
CC(=O)Oc1cccc([O-])c1[N+](=O)[O-]	36532989	166296720	/nfs/dbraw/zinc/29/67/20/166296720.db2.gz	WMKLXCRTRGYMOB-UHFFFAOYSA-N	-1	0	197.146	1.226	50	5		ADBARM
CC(=O)c1cc(C)cc([N+](=O)[O-])c1[O-]	155944	166315819	/nfs/dbraw/zinc/31/58/19/166315819.db2.gz	XSHQMMIEZHWNAK-UHFFFAOYSA-N	-1	0	195.174	1.811	50	5	in-vitro	ADBARM
CC(=O)c1cc([N+](=O)[O-])c([O-])cc1O	970164	166318558	/nfs/dbraw/zinc/31/85/58/166318558.db2.gz	YDIKNQXUAAPWCX-UHFFFAOYSA-N	-1	0	197.146	1.209	50	5		ADBARM
CC(=O)c1cc([O-])ccc1[N+](=O)[O-]	32205726	166319266	/nfs/dbraw/zinc/31/92/66/166319266.db2.gz	PHQWMZYOGOPUIN-UHFFFAOYSA-N	-1	0	181.147	1.503	50	5	in-vitro	ADBARM
CC(=O)c1cc(F)cc([N+](=O)[O-])c1[O-]	2506823	166320115	/nfs/dbraw/zinc/32/01/15/166320115.db2.gz	YVTPUCHIOSGVSH-UHFFFAOYSA-N	-1	0	199.137	1.642	50	5	in-vitro	ADBARM
CC(=O)c1cc([N+](=O)[O-])ccc1[O-]	1847234	166321583	/nfs/dbraw/zinc/32/15/83/166321583.db2.gz	LNCBPUWMGYOISS-UHFFFAOYSA-N	-1	0	181.147	1.503	50	5	in-vitro	ADBARM
CC(=O)c1ccc([O-])c([N+](=O)[O-])c1	1664679	166325036	/nfs/dbraw/zinc/32/50/36/166325036.db2.gz	MMNKVWGVSHRIJL-UHFFFAOYSA-N	-1	0	181.147	1.503	50	5	in-vitro	ADBARM
CC(=O)c1ccc([N+](=O)[O-])c([O-])c1	16321909	166325851	/nfs/dbraw/zinc/32/58/51/166325851.db2.gz	LHGMRIVCXMLBNA-UHFFFAOYSA-N	-1	0	181.147	1.503	50	5	in-vitro	ADBARM
CC(=O)c1cccc([N+](=O)[O-])c1[O-]	1703431	166327674	/nfs/dbraw/zinc/32/76/74/166327674.db2.gz	XQZGSPSZLMKODN-UHFFFAOYSA-N	-1	0	181.147	1.503	50	5	in-vitro	ADBARM
CC(=O)c1cccc([O-])c1[N+](=O)[O-]	16322045	166327863	/nfs/dbraw/zinc/32/78/63/166327863.db2.gz	BZNKOXMJWOAKKK-UHFFFAOYSA-N	-1	0	181.147	1.503	50	5	in-vitro	ADBARM
CC(C)(C)c1[n-][nH]c(=O)c1[N+](=O)[O-]	71289255	166381398	/nfs/dbraw/zinc/38/13/98/166381398.db2.gz	KFZCRAJRUGTZMQ-UHFFFAOYSA-N	-1	0	185.183	1.321	50	5		ADBARM
CC(C)n1cc(C(=O)[O-])c([N+](=O)[O-])n1	95836852	166651605	/nfs/dbraw/zinc/65/16/05/166651605.db2.gz	GVLDHZKRIYDVHG-UHFFFAOYSA-N	-1	0	199.166	1.070	50	5		ADBARM
CC(C)n1ncc([N+](=O)[O-])c1C(=O)[O-]	72339691	166652049	/nfs/dbraw/zinc/65/20/49/166652049.db2.gz	VPEGGEVYLRMSKE-UHFFFAOYSA-N	-1	0	199.166	1.070	50	5		ADBARM
CCCc1c[nH]c(C(=O)[O-])c1[N+](=O)[O-]	4110415	167098567	/nfs/dbraw/zinc/09/85/67/167098567.db2.gz	BGUWFSLRDWAXGL-UHFFFAOYSA-N	-1	0	198.178	1.574	50	5		ADBARM
CCNc1cc([O-])ccc1[N+](=O)[O-]	95494790	167306877	/nfs/dbraw/zinc/30/68/77/167306877.db2.gz	XGHCAGUTKGOOHI-UHFFFAOYSA-N	-1	0	182.179	1.732	50	5		ADBARM
CCOC(=O)c1ccc([N+](=O)[O-])[n-]1	30678324	167372254	/nfs/dbraw/zinc/37/22/54/167372254.db2.gz	CVUNOXYEWWXPCU-UHFFFAOYSA-N	-1	0	184.151	1.100	50	5	in-vitro	ADBARM
CNc1c(C(=O)[O-])cccc1[N+](=O)[O-]	39084262	168062436	/nfs/dbraw/zinc/06/24/36/168062436.db2.gz	XVZUJCYLGIJDPE-UHFFFAOYSA-N	-1	0	196.162	1.335	50	5	in-vitro	ADBARM
CNc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	39084219	168062981	/nfs/dbraw/zinc/06/29/81/168062981.db2.gz	QIUGFPYSYODUEE-UHFFFAOYSA-N	-1	0	196.162	1.335	50	5		ADBARM
CNc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	71774297	168063648	/nfs/dbraw/zinc/06/36/48/168063648.db2.gz	ZPVQUACUWKFQRQ-UHFFFAOYSA-N	-1	0	196.162	1.335	50	5		ADBARM
CNc1ccc([N+](=O)[O-])cc1C(=O)[O-]	3888065	168066471	/nfs/dbraw/zinc/06/64/71/168066471.db2.gz	FAVDVRYGVZMEFI-UHFFFAOYSA-N	-1	0	196.162	1.335	50	5		ADBARM
CNc1cccc(C(=O)[O-])c1[N+](=O)[O-]	37594045	168066534	/nfs/dbraw/zinc/06/65/34/168066534.db2.gz	HBPWEPWMMRSMIZ-UHFFFAOYSA-N	-1	0	196.162	1.335	50	5	in-vitro	ADBARM
COC(=O)c1cc([O-])ccc1[N+](=O)[O-]	35571811	168128554	/nfs/dbraw/zinc/12/85/54/168128554.db2.gz	VYLLCOXNYMTKMD-UHFFFAOYSA-N	-1	0	197.146	1.087	50	5	in-vitro	ADBARM
COC(=O)c1cc([N+](=O)[O-])ccc1[O-]	4202341	168130456	/nfs/dbraw/zinc/13/04/56/168130456.db2.gz	UUBFELFUKFJSRD-UHFFFAOYSA-N	-1	0	197.146	1.087	50	5	in-vitro	ADBARM
COC(=O)c1ccc([O-])cc1[N+](=O)[O-]	90513433	168131717	/nfs/dbraw/zinc/13/17/17/168131717.db2.gz	XLTVRPYIMBEWNP-UHFFFAOYSA-N	-1	0	197.146	1.087	50	5	in-vitro	ADBARM
COC(=O)c1ccc([N+](=O)[O-])c([O-])c1	34779362	168132393	/nfs/dbraw/zinc/13/23/93/168132393.db2.gz	UEGCRFNWTGYVKX-UHFFFAOYSA-N	-1	0	197.146	1.087	50	5	in-vitro	ADBARM
COC(=O)c1ccc([O-])c([N+](=O)[O-])c1	34914538	168133193	/nfs/dbraw/zinc/13/31/93/168133193.db2.gz	GNCWCTBHZCBXGL-UHFFFAOYSA-N	-1	0	197.146	1.087	50	5	in-vitro	ADBARM
COC(=O)c1cccc([N+](=O)[O-])c1[O-]	2564297	168133623	/nfs/dbraw/zinc/13/36/23/168133623.db2.gz	NIBVYEHAFBEVFI-UHFFFAOYSA-N	-1	0	197.146	1.087	50	5	in-vitro	ADBARM
COC(=O)c1cccc([O-])c1[N+](=O)[O-]	34119902	168134835	/nfs/dbraw/zinc/13/48/35/168134835.db2.gz	FHCNMPYMCKHBTK-UHFFFAOYSA-N	-1	0	197.146	1.087	50	5	in-vitro	ADBARM
COc1c(C(=O)[O-])cccc1[N+](=O)[O-]	87493289	168224054	/nfs/dbraw/zinc/22/40/54/168224054.db2.gz	GMSYODOBBOEWCM-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1c([O-])ccc(C=O)c1[N+](=O)[O-]	155075	168227686	/nfs/dbraw/zinc/22/76/86/168227686.db2.gz	PHCNQUJHXJQLQR-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	2244195	168228323	/nfs/dbraw/zinc/22/83/23/168228323.db2.gz	QXIIPLXNJAJOMR-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	1683125	168229160	/nfs/dbraw/zinc/22/91/60/168229160.db2.gz	PWURRRRGLCVBMX-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1cc(C=O)cc([N+](=O)[O-])c1[O-]	337547	168232164	/nfs/dbraw/zinc/23/21/64/168232164.db2.gz	ZEHYRTJBFMZHCY-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1cc(C=O)c([N+](=O)[O-])cc1[O-]	1666560	168232398	/nfs/dbraw/zinc/23/23/98/168232398.db2.gz	INFACQKUQJGVFF-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1cc(C=O)c([O-])c([N+](=O)[O-])c1	51498733	168232514	/nfs/dbraw/zinc/23/25/14/168232514.db2.gz	CCHTVTHOPTTYSY-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1cc([O-])c(C=O)cc1[N+](=O)[O-]	966753	168236868	/nfs/dbraw/zinc/23/68/68/168236868.db2.gz	PFFADGGGGYOQSM-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1cc([O-])c([N+](=O)[O-])c(OC)c1	71773687	168237475	/nfs/dbraw/zinc/23/74/75/168237475.db2.gz	RWJQMPCYEXKXIA-UHFFFAOYSA-N	-1	0	199.162	1.318	50	5		ADBARM
COc1cc([O-])ccc1[N+](=O)[O-]	38540276	168237616	/nfs/dbraw/zinc/23/76/16/168237616.db2.gz	VDQSACYMBGQMFC-UHFFFAOYSA-N	-1	0	169.136	1.309	50	5	in-vitro	ADBARM
COc1cc([O-])c([N+](=O)[O-])cc1OC	62152884	168237832	/nfs/dbraw/zinc/23/78/32/168237832.db2.gz	KBEJHHWQKHGDNC-UHFFFAOYSA-N	-1	0	199.162	1.318	50	5		ADBARM
COc1cc([N+](=O)[O-])ccc1C(=O)[O-]	1758059	168240579	/nfs/dbraw/zinc/24/05/79/168240579.db2.gz	KPJXEWJRJKEOCD-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1cc([N+](=O)[O-])cc(OC)c1[O-]	39169063	168240783	/nfs/dbraw/zinc/24/07/83/168240783.db2.gz	PDFATCIPSRONEB-UHFFFAOYSA-N	-1	0	199.162	1.318	50	5		ADBARM
COc1cc([N+](=O)[O-])cc(C=O)c1[O-]	51530814	168240799	/nfs/dbraw/zinc/24/07/99/168240799.db2.gz	HGKHVFKBOHFYSS-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1cc([N+](=O)[O-])c(C=O)cc1[O-]	36378913	168241304	/nfs/dbraw/zinc/24/13/04/168241304.db2.gz	PTULGYAZUWPSQM-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	1744402	168246005	/nfs/dbraw/zinc/24/60/05/168246005.db2.gz	DVZBWONCSHFMMM-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	154837	168246475	/nfs/dbraw/zinc/24/64/75/168246475.db2.gz	ANXBDAFDZSXOPQ-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1ccc(C=O)c([N+](=O)[O-])c1[O-]	35566992	168247132	/nfs/dbraw/zinc/24/71/32/168247132.db2.gz	SJAKQVOAWQEVJV-UHFFFAOYSA-N	-1	0	197.146	1.122	50	5	in-vitro	ADBARM
COc1ccc([N+](=O)[O-])c([O-])c1	34925598	168260638	/nfs/dbraw/zinc/26/06/38/168260638.db2.gz	NRTULWPODYLFOJ-UHFFFAOYSA-N	-1	0	169.136	1.309	50	5	in-vitro	ADBARM
COc1ccc([N+](=O)[O-])cc1C(=O)[O-]	571005	168260750	/nfs/dbraw/zinc/26/07/50/168260750.db2.gz	CVZUPRDSNNBZLH-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	163370	168260848	/nfs/dbraw/zinc/26/08/48/168260848.db2.gz	URADKXVAIGMTEG-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1cccc(C(=O)[O-])c1[N+](=O)[O-]	1596370	168267506	/nfs/dbraw/zinc/26/75/06/168267506.db2.gz	YMOMYSDAOXOCID-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1cccc([O-])c1[N+](=O)[O-]	34617165	168271599	/nfs/dbraw/zinc/27/15/99/168271599.db2.gz	URFJTCWCTWGRBB-UHFFFAOYSA-N	-1	0	169.136	1.309	50	5	in-vitro	ADBARM
COc1cccc([N+](=O)[O-])c1C(=O)[O-]	38339180	168272643	/nfs/dbraw/zinc/27/26/43/168272643.db2.gz	ORPBIIFFJYJUHR-UHFFFAOYSA-N	-1	0	197.146	1.302	50	5	in-vitro	ADBARM
COc1cccc([N+](=O)[O-])c1[O-]	39291314	168273227	/nfs/dbraw/zinc/27/32/27/168273227.db2.gz	WRXFJKBQZVRPHI-UHFFFAOYSA-N	-1	0	169.136	1.309	50	5		ADBARM
C[C@@H](C(=O)[O-])c1cccc([N+](=O)[O-])c1	38271502	168329469	/nfs/dbraw/zinc/32/94/69/168329469.db2.gz	MSCZZRXBIBUPKG-ZCFIWIBFSA-N	-1	0	195.174	1.783	50	5	in-vitro	ADBARM
C[C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	1399376	168330386	/nfs/dbraw/zinc/33/03/86/168330386.db2.gz	RBSRRICSXWXMRC-ZCFIWIBFSA-N	-1	0	195.174	1.783	50	5		ADBARM
C[C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	1399375	168517634	/nfs/dbraw/zinc/51/76/34/168517634.db2.gz	RBSRRICSXWXMRC-LURJTMIESA-N	-1	0	195.174	1.783	50	5		ADBARM
Cc1c(C(=O)[O-])cc(F)cc1[N+](=O)[O-]	62665892	168706119	/nfs/dbraw/zinc/70/61/19/168706119.db2.gz	CMZCBPLTJBYJHZ-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5	in-vitro	ADBARM
Cc1c(F)cc(C(=O)[O-])cc1[N+](=O)[O-]	32625207	168712916	/nfs/dbraw/zinc/71/29/16/168712916.db2.gz	ZQBWRQKRMZXTKX-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5		ADBARM
Cc1cc(CC(=O)[O-])ccc1[N+](=O)[O-]	71250429	168752332	/nfs/dbraw/zinc/75/23/32/168752332.db2.gz	NUYOXESWWGUDLP-UHFFFAOYSA-N	-1	0	195.174	1.530	50	5	in-vitro	ADBARM
Cc1cc([N+](=O)[O-])c([O-])cc1[N+](=O)[O-]	34144354	168783619	/nfs/dbraw/zinc/78/36/19/168783619.db2.gz	KBKKXHQMXZFCLI-UHFFFAOYSA-N	-1	0	198.134	1.517	50	5	in-vitro	ADBARM
Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1O	39248560	168784300	/nfs/dbraw/zinc/78/43/00/168784300.db2.gz	JNZXWLAEKYYPHA-UHFFFAOYSA-N	-1	0	197.146	1.307	50	5		ADBARM
Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1F	87780935	168784350	/nfs/dbraw/zinc/78/43/50/168784350.db2.gz	UJGNESLMRSWBKR-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5	in-vitro	ADBARM
Cc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	120501	168801230	/nfs/dbraw/zinc/80/12/30/168801230.db2.gz	BBEWSMNRCUXQRF-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5	in-vitro	ADBARM
Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1N	5337268	168801409	/nfs/dbraw/zinc/80/14/09/168801409.db2.gz	JLWAVVAJFWDXEF-UHFFFAOYSA-N	-1	0	196.162	1.184	50	5		ADBARM
Cc1ccc(CC(=O)[O-])cc1[N+](=O)[O-]	20439826	168809960	/nfs/dbraw/zinc/80/99/60/168809960.db2.gz	WZNKBDUWSKJHEG-UHFFFAOYSA-N	-1	0	195.174	1.530	50	5	in-vitro	ADBARM
Cc1ccc([N+](=O)[O-])cc1CC(=O)[O-]	36294302	168844925	/nfs/dbraw/zinc/84/49/25/168844925.db2.gz	JCSRJKWRJVUXSQ-UHFFFAOYSA-N	-1	0	195.174	1.530	50	5	in-vitro	ADBARM
Cc1ccc([N+](=O)[O-])c(CC(=O)[O-])c1	35635545	168845081	/nfs/dbraw/zinc/84/50/81/168845081.db2.gz	SKFYNOGBJGWWOB-UHFFFAOYSA-N	-1	0	195.174	1.530	50	5	in-vitro	ADBARM
Cc1cccc(CC(=O)[O-])c1[N+](=O)[O-]	71789867	168864220	/nfs/dbraw/zinc/86/42/20/168864220.db2.gz	MFWFLUXZQHVVHO-UHFFFAOYSA-N	-1	0	195.174	1.530	50	5	in-vitro	ADBARM
Cc1noc2c([N+](=O)[O-])c([O-])ccc12	45028236	169002924	/nfs/dbraw/zinc/00/29/24/169002924.db2.gz	JLAOOOJONJCBFE-UHFFFAOYSA-N	-1	0	194.146	1.750	50	5		ADBARM
Cc1nsc(C(=O)[O-])c1[N+](=O)[O-]	39083404	169005311	/nfs/dbraw/zinc/00/53/11/169005311.db2.gz	JNGIXAWRDOXWOV-UHFFFAOYSA-N	-1	0	188.164	1.058	50	5		ADBARM
Cc1oc([N+](=O)[O-])cc1C(=O)[O-]	1688621	169008653	/nfs/dbraw/zinc/00/86/53/169008653.db2.gz	NXPDJCKSBLMJII-UHFFFAOYSA-N	-1	0	171.108	1.194	50	5	in-vitro	ADBARM
N=Cc1cc([N+](=O)[O-])ccc1[O-]	1616097	169145485	/nfs/dbraw/zinc/14/54/85/169145485.db2.gz	CGKNJXXTDZMIEL-UHFFFAOYSA-N	-1	0	166.136	1.298	50	5		ADBARM
Nc1cc(Cl)cc([N+](=O)[O-])c1[O-]	34782120	169286103	/nfs/dbraw/zinc/28/61/03/169286103.db2.gz	MHAFRUMLQZZSIN-UHFFFAOYSA-N	-1	0	188.570	1.536	50	5	in-vitro	ADBARM
Nc1cc([N+](=O)[O-])cc(Cl)c1[O-]	1235086	169289343	/nfs/dbraw/zinc/28/93/43/169289343.db2.gz	TWLMSPNQBKSXOP-UHFFFAOYSA-N	-1	0	188.570	1.536	50	5	in-vitro	ADBARM
Nc1ccc([N+](=O)[O-])cc1[S-]	34589102	169294189	/nfs/dbraw/zinc/29/41/89/169294189.db2.gz	UJDSRXSZJCJVCS-UHFFFAOYSA-N	-1	0	170.193	1.466	50	5	in-vitro	ADBARM
O=C([O-])/C=C/c1cccc([N+](=O)[O-])c1	54929	169334205	/nfs/dbraw/zinc/33/42/05/169334205.db2.gz	WWXMVRYHLZMQIG-SNAWJCMRSA-N	-1	0	193.158	1.693	50	5	biogenic,in-vitro	ADBARM
O=C([O-])/C=C/c1ccc([N+](=O)[O-])cc1	164538	169334265	/nfs/dbraw/zinc/33/42/65/169334265.db2.gz	XMMRNCHTDONGRJ-ZZXKWVIFSA-N	-1	0	193.158	1.693	50	5	biogenic,in-vitro	ADBARM
O=C([O-])/C=C/c1ccc([N+](=O)[O-])o1	84888	169334413	/nfs/dbraw/zinc/33/44/13/169334413.db2.gz	LWOWNIPZHGWKNR-DUXPYHPUSA-N	-1	0	183.119	1.286	50	5	in-vitro	ADBARM
O=C([O-])/C=C/c1ccc([N+](=O)[O-])s1	152642	169334496	/nfs/dbraw/zinc/33/44/96/169334496.db2.gz	IIJCRPJUZLOCIE-DUXPYHPUSA-N	-1	0	199.187	1.754	50	5	in-vitro	ADBARM
O=C([O-])/C=C/C1=CCC[C@H]([N+](=O)[O-])C1	45331630	169334514	/nfs/dbraw/zinc/33/45/14/169334514.db2.gz	PEYXGOWSKLZBEO-ZJELKQJVSA-N	-1	0	197.190	1.383	50	5		ADBARM
O=C([O-])/C=C/C1=CCC[C@@H]([N+](=O)[O-])C1	45331636	169334757	/nfs/dbraw/zinc/33/47/57/169334757.db2.gz	PEYXGOWSKLZBEO-WTSVBCDHSA-N	-1	0	197.190	1.383	50	5		ADBARM
O=C([O-])/C=C/c1ccccc1[N+](=O)[O-]	154472	169334861	/nfs/dbraw/zinc/33/48/61/169334861.db2.gz	BBQDLDVSEDAYAA-AATRIKPKSA-N	-1	0	193.158	1.693	50	5	in-vitro	ADBARM
O=C([O-])CCc1cccc([N+](=O)[O-])c1	2574344	169338977	/nfs/dbraw/zinc/33/89/77/169338977.db2.gz	ZOANOABZUNJOJT-UHFFFAOYSA-N	-1	0	195.174	1.612	50	5	in-vitro	ADBARM
O=C([O-])CCc1ccc([N+](=O)[O-])cn1	34423214	169338987	/nfs/dbraw/zinc/33/89/87/169338987.db2.gz	CKNRIXTYAIWEMV-UHFFFAOYSA-N	-1	0	196.162	1.007	50	5		ADBARM
O=C([O-])CCc1ccc([N+](=O)[O-])cc1	84189	169339393	/nfs/dbraw/zinc/33/93/93/169339393.db2.gz	VZOPVJNBOQOLPN-UHFFFAOYSA-N	-1	0	195.174	1.612	50	5	in-vitro	ADBARM
O=C([O-])CCc1ccccc1[N+](=O)[O-]	3845796	169339513	/nfs/dbraw/zinc/33/95/13/169339513.db2.gz	OARKUZWAGHQLSL-UHFFFAOYSA-N	-1	0	195.174	1.612	50	5	in-vitro	ADBARM
O=C([O-])COc1ccc([N+](=O)[O-])cc1	78021	169342111	/nfs/dbraw/zinc/34/21/11/169342111.db2.gz	AVDLFIONKHGQAP-UHFFFAOYSA-N	-1	0	197.146	1.058	50	5	in-vitro	ADBARM
O=C([O-])COc1cccc([N+](=O)[O-])c1	1733069	169342142	/nfs/dbraw/zinc/34/21/42/169342142.db2.gz	BNRRQAASFDGMMQ-UHFFFAOYSA-N	-1	0	197.146	1.058	50	5	in-vitro	ADBARM
O=C([O-])COc1ccccc1[N+](=O)[O-]	43872	169342155	/nfs/dbraw/zinc/34/21/55/169342155.db2.gz	TYHHDWAHJRRYCU-UHFFFAOYSA-N	-1	0	197.146	1.058	50	5	in-vitro	ADBARM
O=C([O-])Cc1ccc([N+](=O)[O-])cc1F	40566661	169343623	/nfs/dbraw/zinc/34/36/23/169343623.db2.gz	HKGNZXXYXCKJHO-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=C([O-])Cc1ccc([N+](=O)[O-])c(F)c1	2243162	169343722	/nfs/dbraw/zinc/34/37/22/169343722.db2.gz	BRWLAOKLDCMHIC-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=C([O-])Cc1cccc([N+](=O)[O-])c1	156946	169343813	/nfs/dbraw/zinc/34/38/13/169343813.db2.gz	WUKHOVCMWXMOOA-UHFFFAOYSA-N	-1	0	181.147	1.222	50	5	in-vivo	ADBARM
O=C([O-])Cc1ccccc1[N+](=O)[O-]	156503	169343825	/nfs/dbraw/zinc/34/38/25/169343825.db2.gz	WMUZDBZPDLHUMW-UHFFFAOYSA-N	-1	0	181.147	1.222	50	5	in-vitro	ADBARM
O=C([O-])Cc1cccc(F)c1[N+](=O)[O-]	77031555	169344065	/nfs/dbraw/zinc/34/40/65/169344065.db2.gz	ZHQHUGDDYSPNTM-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=C([O-])Cc1ccc([N+](=O)[O-])cc1	154582	169344196	/nfs/dbraw/zinc/34/41/96/169344196.db2.gz	YBADLXQNJCMBKR-UHFFFAOYSA-N	-1	0	181.147	1.222	50	5	in-vivo	ADBARM
O=C([O-])c1c(F)cccc1[N+](=O)[O-]	2386501	169355538	/nfs/dbraw/zinc/35/55/38/169355538.db2.gz	MPDZCNPDHUUPRL-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1cc(F)cc([N+](=O)[O-])c1	2559546	169356156	/nfs/dbraw/zinc/35/61/56/169356156.db2.gz	VIPUIECMSDQUIK-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1cc(F)ccc1[N+](=O)[O-]	158134	169356164	/nfs/dbraw/zinc/35/61/64/169356164.db2.gz	GHYZIXDKAPMFCS-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1cc([N+](=O)[O-])cs1	1701154	169356588	/nfs/dbraw/zinc/35/65/88/169356588.db2.gz	SZHKHACZQDMGGI-UHFFFAOYSA-N	-1	0	173.149	1.355	50	5		ADBARM
O=C([O-])c1cc([N+](=O)[O-])ccc1F	1720169	169356725	/nfs/dbraw/zinc/35/67/25/169356725.db2.gz	ICXSHFWYCHJILC-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1cc(Cl)c([N+](=O)[O-])[nH]1	32628294	169356736	/nfs/dbraw/zinc/35/67/36/169356736.db2.gz	LUHFMJNZRSMDEI-UHFFFAOYSA-N	-1	0	190.542	1.275	50	5		ADBARM
O=C([O-])c1ccc(F)cc1[N+](=O)[O-]	2164756	169357225	/nfs/dbraw/zinc/35/72/25/169357225.db2.gz	YLUCXHMYRQUERW-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1ccc(F)c([N+](=O)[O-])c1	1706166	169357781	/nfs/dbraw/zinc/35/77/81/169357781.db2.gz	BOJWTAQWPVBIPG-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1ccc([N+](=O)[O-])c(F)c1	167449	169358179	/nfs/dbraw/zinc/35/81/79/169358179.db2.gz	WVZBIQSKLXJFNX-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1	1688307	169358272	/nfs/dbraw/zinc/35/82/72/169358272.db2.gz	OTLNPYWUJOZPPA-UHFFFAOYSA-N	-1	0	167.120	1.293	50	5	in-vitro	ADBARM
O=C([O-])c1ccc([N+](=O)[O-])cc1F	153358	169358328	/nfs/dbraw/zinc/35/83/28/169358328.db2.gz	MMWFMFZFCKADEL-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1ccc([N+](=O)[O-])s1	3884944	169358482	/nfs/dbraw/zinc/35/84/82/169358482.db2.gz	UNEPVPOHGXLUIR-UHFFFAOYSA-N	-1	0	173.149	1.355	50	5		ADBARM
O=C([O-])c1cccc(F)c1[N+](=O)[O-]	16158458	169358627	/nfs/dbraw/zinc/35/86/27/169358627.db2.gz	DTGONJAUUOWYGB-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1cccc([N+](=O)[O-])c1	156875	169358714	/nfs/dbraw/zinc/35/87/14/169358714.db2.gz	AFPHTEQTJZKQAQ-UHFFFAOYSA-N	-1	0	167.120	1.293	50	5	in-vitro	ADBARM
O=C([O-])c1cccc([N+](=O)[O-])c1F	16158456	169358763	/nfs/dbraw/zinc/35/87/63/169358763.db2.gz	WLGUSLGYTNJJFV-UHFFFAOYSA-N	-1	0	185.110	1.432	50	5	in-vitro	ADBARM
O=C([O-])c1csc([N+](=O)[O-])c1	1024446	169360481	/nfs/dbraw/zinc/36/04/81/169360481.db2.gz	VNJUNWUOAKEIKG-UHFFFAOYSA-N	-1	0	173.149	1.355	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc2occ([O-])c2c1	1742456	169379434	/nfs/dbraw/zinc/37/94/34/169379434.db2.gz	ROBFLDVWFBLZKV-UHFFFAOYSA-N	-1	0	179.131	1.170	50	5		ADBARM
O=[N+]([O-])c1cc(F)cc2c([O-])coc12	169803982	169379766	/nfs/dbraw/zinc/37/97/66/169379766.db2.gz	OLDQWMMKJGCIDX-UHFFFAOYSA-N	-1	0	197.121	1.309	50	5		ADBARM
O=Cc1cc([O-])cc([N+](=O)[O-])c1	39037382	169403094	/nfs/dbraw/zinc/40/30/94/169403094.db2.gz	QAGPTXBGYDEOFQ-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5	in-vitro	ADBARM
O=Cc1cc([N+](=O)[O-])c(F)cc1[O-]	4290773	169403140	/nfs/dbraw/zinc/40/31/40/169403140.db2.gz	KNYWTEATSBRONK-UHFFFAOYSA-N	-1	0	185.110	1.252	50	5		ADBARM
O=Cc1ccc([O-])c([N+](=O)[O-])c1	562702	169405207	/nfs/dbraw/zinc/40/52/07/169405207.db2.gz	YTHJCZRFJGXPTL-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5	in-vivo	ADBARM
O=[N+]([O-])c1ccc(F)cc1[O-]	36047177	169413133	/nfs/dbraw/zinc/41/31/33/169413133.db2.gz	QQURWFRNETXFTN-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([N+](=O)[O-])c([O-])c1	3876088	169413139	/nfs/dbraw/zinc/41/31/39/169413139.db2.gz	UWEZBKLLMKVIPI-UHFFFAOYSA-N	-1	0	184.107	1.209	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([O-])cc1[N+](=O)[O-]	4521448	169413255	/nfs/dbraw/zinc/41/32/55/169413255.db2.gz	AKLOLDQYWQAREW-UHFFFAOYSA-N	-1	0	184.107	1.209	50	5	in-vitro	ADBARM
O=c1[n-]c(Cl)ccc1[N+](=O)[O-]	13301916	169413575	/nfs/dbraw/zinc/41/35/75/169413575.db2.gz	SCGNWULOSYKTQP-UHFFFAOYSA-N	-1	0	174.543	1.349	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([O-])c([N+](=O)[O-])c1	12358776	169413649	/nfs/dbraw/zinc/41/36/49/169413649.db2.gz	UFBJCMHMOXMLKC-UHFFFAOYSA-N	-1	0	184.107	1.209	50	5	in-vivo	ADBARM
O=[N+]([O-])c1cccc([N+](=O)[O-])c1[O-]	12358884	169414633	/nfs/dbraw/zinc/41/46/33/169414633.db2.gz	JCRIDWXIBSEOEG-UHFFFAOYSA-N	-1	0	184.107	1.209	50	5	in-vitro	ADBARM
Cc1cc([N+](=O)[O-])c(C)cc1C(=O)[O-]	1694604	171000875	/nfs/dbraw/zinc/00/08/75/171000875.db2.gz	WQJLIVQRJOLTMH-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5		ADBARM
O=[N+]([O-])c1cc([O-])cc(F)c1	1701564	171001479	/nfs/dbraw/zinc/00/14/79/171001479.db2.gz	YOMAXLMXNGCFRA-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc(F)cc(F)c1[O-]	1706152	171001598	/nfs/dbraw/zinc/00/15/98/171001598.db2.gz	MZVKNFPDQWHQKT-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc(O)ccc1F	2525422	171005984	/nfs/dbraw/zinc/00/59/84/171005984.db2.gz	JSRMPTJZAJUPGZ-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc(F)c([O-])cc1F	2525792	171006297	/nfs/dbraw/zinc/00/62/97/171006297.db2.gz	WOQWWNJQZLYLMC-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
CNc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	3887891	171010022	/nfs/dbraw/zinc/01/00/22/171010022.db2.gz	KSMLIIWEQBYUKA-UHFFFAOYSA-N	-1	0	196.162	1.335	50	5	in-vitro	ADBARM
O=C([O-])CNc1ccc([N+](=O)[O-])cc1	4522501	171012865	/nfs/dbraw/zinc/01/28/65/171012865.db2.gz	MTRZHSVFAGKMOA-UHFFFAOYSA-N	-1	0	196.162	1.091	50	5		ADBARM
O=C([O-])CNc1ccccc1[N+](=O)[O-]	4366453	171013274	/nfs/dbraw/zinc/01/32/74/171013274.db2.gz	LGBCEZSPCHBRFQ-UHFFFAOYSA-N	-1	0	196.162	1.091	50	5	in-vitro	ADBARM
O=C([O-])Cc1cc([N+](=O)[O-])ccc1F	4666689	171014196	/nfs/dbraw/zinc/01/41/96/171014196.db2.gz	IDWINSICBKJFBK-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=c1c([N+](=O)[O-])c[n-]c2ccccc12	8647780	171021954	/nfs/dbraw/zinc/02/19/54/171021954.db2.gz	ZWISCKSGNCMAQO-UHFFFAOYSA-N	-1	0	190.158	1.436	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc(F)c([O-])c(F)c1	12343953	171024932	/nfs/dbraw/zinc/02/49/32/171024932.db2.gz	KVVXRISUSPIMLJ-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc([O-])c(F)cc1F	12336323	171025028	/nfs/dbraw/zinc/02/50/28/171025028.db2.gz	SMRYCTJAGPDVEH-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=C([O-])Cc1cc(F)ccc1[N+](=O)[O-]	12359148	171025667	/nfs/dbraw/zinc/02/56/67/171025667.db2.gz	HOWBVGXZCYNPOU-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=c1cc2[n-][nH]cc-2c([N+](=O)[O-])c1	14983080	171028921	/nfs/dbraw/zinc/02/89/21/171028921.db2.gz	BJMMZNBQVYKORW-UHFFFAOYSA-N	-1	0	179.135	1.177	50	5		ADBARM
O=[N+]([O-])c1c([O-])cc(F)cc1F	16159818	171030625	/nfs/dbraw/zinc/03/06/25/171030625.db2.gz	LIQHPNDCQUCZKL-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=[N+]([O-])c1c([O-])cccc1Cl	21298329	171040767	/nfs/dbraw/zinc/04/07/67/171040767.db2.gz	DFMDAJMTLJGKFW-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
CC(=O)Nc1cc([O-])ccc1[N+](=O)[O-]	25724808	171043903	/nfs/dbraw/zinc/04/39/03/171043903.db2.gz	AIYFITVQMIFCGJ-UHFFFAOYSA-N	-1	0	196.162	1.259	50	5		ADBARM
O=[N+]([O-])c1ncc(Br)[n-]1	26894018	171046141	/nfs/dbraw/zinc/04/61/41/171046141.db2.gz	MRIWERSFZMOJRE-UHFFFAOYSA-N	-1	0	191.972	1.080	50	5	in-vitro	ADBARM
O=Cc1cccc([O-])c1[N+](=O)[O-]	34143783	171052851	/nfs/dbraw/zinc/05/28/51/171052851.db2.gz	ADSNHKTXYJZXDF-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5		ADBARM
O=[N+]([O-])c1c([O-])ccc2[nH]ccc12	34628462	171057232	/nfs/dbraw/zinc/05/72/32/171057232.db2.gz	RETYFVFLZKTNQL-UHFFFAOYSA-N	-1	0	178.147	1.782	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc([O-])cc([N+](=O)[O-])c1	34797793	171057377	/nfs/dbraw/zinc/05/73/77/171057377.db2.gz	UEMBNLWZFIWQFL-UHFFFAOYSA-N	-1	0	184.107	1.209	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc(Cl)ccc1[O-]	35052074	171058100	/nfs/dbraw/zinc/05/81/00/171058100.db2.gz	NWSIFTLPLKCTSX-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
O=[N+]([O-])c1c([O-])cccc1F	35569297	171059412	/nfs/dbraw/zinc/05/94/12/171059412.db2.gz	GAWNBKUTBVLIPL-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc2c(cc1[O-])OCO2	35741598	171059718	/nfs/dbraw/zinc/05/97/18/171059718.db2.gz	BYOPSCVORPQJID-UHFFFAOYSA-N	-1	0	183.119	1.029	50	5		ADBARM
CC(=O)Nc1cc([N+](=O)[O-])ccc1[O-]	35939894	171059723	/nfs/dbraw/zinc/05/97/23/171059723.db2.gz	GFHYFPARONGSCD-UHFFFAOYSA-N	-1	0	196.162	1.259	50	5		ADBARM
O=[N+]([O-])c1cc(F)ccc1[O-]	36072257	171059867	/nfs/dbraw/zinc/05/98/67/171059867.db2.gz	ZHRLVDHMIJDWSS-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
COc1ccc([O-])c([N+](=O)[O-])c1	36072259	171059919	/nfs/dbraw/zinc/05/99/19/171059919.db2.gz	YBUGOACXDPDUIR-UHFFFAOYSA-N	-1	0	169.136	1.309	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc([O-])c(F)c(F)c1	36533216	171061393	/nfs/dbraw/zinc/06/13/93/171061393.db2.gz	QEBOTENBPZWUEC-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc(F)c(F)cc1[O-]	36533629	171061792	/nfs/dbraw/zinc/06/17/92/171061792.db2.gz	KZODZOGGCQZLNF-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=C([O-])Cc1ccc(F)c([N+](=O)[O-])c1	38283550	171069206	/nfs/dbraw/zinc/06/92/06/171069206.db2.gz	FLCOFHGXMMGYDB-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=[N+]([O-])c1c(F)ccc(F)c1[O-]	38434103	171069493	/nfs/dbraw/zinc/06/94/93/171069493.db2.gz	LDAORTVYRIJMQH-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=Cc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	39082882	171073604	/nfs/dbraw/zinc/07/36/04/171073604.db2.gz	NGLYFQZZXYWIRA-UHFFFAOYSA-N	-1	0	195.130	1.106	50	5		ADBARM
O=[N+]([O-])c1cc([O-])cc(Cl)c1	39170009	171076852	/nfs/dbraw/zinc/07/68/52/171076852.db2.gz	HIZPNTCIGGXRIF-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
O=[N+]([O-])c1c([O-])ccnc1Cl	40448317	171081124	/nfs/dbraw/zinc/08/11/24/171081124.db2.gz	RGJVVCCIZKLJRL-UHFFFAOYSA-N	-1	0	174.543	1.349	50	5	in-vitro	ADBARM
O=[N+]([O-])c1c(F)cc([O-])cc1F	44564218	171090337	/nfs/dbraw/zinc/09/03/37/171090337.db2.gz	DDNBXAHODWXJKM-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5		ADBARM
O=Cc1cccc([N+](=O)[O-])c1[O-]	49942704	171096192	/nfs/dbraw/zinc/09/61/92/171096192.db2.gz	NUGOTBXFVWXVTE-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5		ADBARM
O=C([O-])Cc1c(F)cccc1[N+](=O)[O-]	59209278	171101557	/nfs/dbraw/zinc/10/15/57/171101557.db2.gz	SCRZNBSLSBQAIE-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=[N+]([O-])c1nc(Cl)ccc1[O-]	71254813	171106638	/nfs/dbraw/zinc/10/66/38/171106638.db2.gz	GTCNAHJEWXSQIS-UHFFFAOYSA-N	-1	0	174.543	1.349	50	5	in-vitro	ADBARM
O=[N+]([O-])c1c([O-])cccc1O	90393817	171133699	/nfs/dbraw/zinc/13/36/99/171133699.db2.gz	ZLCPKMIJYMHZMJ-UHFFFAOYSA-N	-1	0	155.109	1.006	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ncc(Cl)cc1[O-]	118677242	171155926	/nfs/dbraw/zinc/15/59/26/171155926.db2.gz	XRSYKYYBXLVPAJ-UHFFFAOYSA-N	-1	0	174.543	1.349	50	5	in-vitro	ADBARM
O=C([O-])Cc1ccc(F)cc1[N+](=O)[O-]	6925795	171205334	/nfs/dbraw/zinc/20/53/34/171205334.db2.gz	LAFOTQFKZXKMFD-UHFFFAOYSA-N	-1	0	199.137	1.361	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc2c[nH]nc2cc1[O-]	16677963	171206903	/nfs/dbraw/zinc/20/69/03/171206903.db2.gz	OIJDAJASYWQSPS-UHFFFAOYSA-N	-1	0	179.135	1.177	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cc(O)ccc1[O-]	19691768	171215676	/nfs/dbraw/zinc/21/56/76/171215676.db2.gz	VIIYYMZOGKODQG-UHFFFAOYSA-N	-1	0	155.109	1.006	50	5	in-vitro	ADBARM
Cc1cc(C(=O)[O-])cc(C)c1[N+](=O)[O-]	31310	342923976	/nfs/dbraw/zinc/92/39/76/342923976.db2.gz	RBAVFNOGEPCOQI-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5	in-vitro	ADBARM
Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	152844	342928526	/nfs/dbraw/zinc/92/85/26/342928526.db2.gz	KZLLSSGOPIGKDO-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5	in-vitro	ADBARM
O=C([O-])c1ccccc1[N+](=O)[O-]	80841	342926083	/nfs/dbraw/zinc/92/60/83/342926083.db2.gz	SLAMLWHELXOEJZ-UHFFFAOYSA-N	-1	0	167.120	1.293	50	5	in-vitro	ADBARM
Cc1cccc([N+](=O)[O-])c1C(=O)[O-]	157093	342929449	/nfs/dbraw/zinc/92/94/49/342929449.db2.gz	CCXSGQZMYLXTOI-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5	in-vitro	ADBARM
Cc1cc(C(=O)[O-])ccc1[N+](=O)[O-]	164899	342930358	/nfs/dbraw/zinc/93/03/58/342930358.db2.gz	XDTTUTIFWDAMIX-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5		ADBARM
Cc1c(N)cc(C(=O)[O-])cc1[N+](=O)[O-]	186659	342931291	/nfs/dbraw/zinc/93/12/91/342931291.db2.gz	LHZXZCIDEFEXPM-UHFFFAOYSA-N	-1	0	196.162	1.184	50	5	in-vitro	ADBARM
Cc1cc(C)c([N+](=O)[O-])cc1C(=O)[O-]	345546	342934906	/nfs/dbraw/zinc/93/49/06/342934906.db2.gz	OVWSQNZKIRGLMK-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5	in-vitro	ADBARM
O=C([O-])CNc1cccc([N+](=O)[O-])c1	1564844	342947894	/nfs/dbraw/zinc/94/78/94/342947894.db2.gz	YWWRLAPJIGCYRN-UHFFFAOYSA-N	-1	0	196.162	1.091	50	5		ADBARM
Cc1ccc([N+](=O)[O-])c([O-])c1[N+](=O)[O-]	1605933	342951574	/nfs/dbraw/zinc/95/15/74/342951574.db2.gz	RXUSMLCMOQWNOQ-UHFFFAOYSA-N	-1	0	198.134	1.517	50	5		ADBARM
Cc1cc([N+](=O)[O-])c([O-])c([N+](=O)[O-])c1	1665962	342955555	/nfs/dbraw/zinc/95/55/55/342955555.db2.gz	HOYRZHJJAHRMLL-UHFFFAOYSA-N	-1	0	198.134	1.517	50	5	in-vitro	ADBARM
Cc1ccc([N+](=O)[O-])c(C(=O)[O-])c1	1670424	342955923	/nfs/dbraw/zinc/95/59/23/342955923.db2.gz	QRRSIFNWHCKMSW-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5	in-vitro	ADBARM
Cc1ccc([N+](=O)[O-])c(C)c1C(=O)[O-]	1676668	342957135	/nfs/dbraw/zinc/95/71/35/342957135.db2.gz	GOGALNMBJIGJNW-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5		ADBARM
Cc1cccc(C(=O)[O-])c1[N+](=O)[O-]	1733813	342963052	/nfs/dbraw/zinc/96/30/52/342963052.db2.gz	DGDAVTPQCQXLGU-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5		ADBARM
Cc1nc(Cl)[n-]c(=O)c1[N+](=O)[O-]	2518306	342973729	/nfs/dbraw/zinc/97/37/29/342973729.db2.gz	GNXOLOBSWUZOEF-UHFFFAOYSA-N	-1	0	189.558	1.052	50	5	in-vitro	ADBARM
Cc1c(C(=O)[O-])cccc1[N+](=O)[O-]	2567944	342977645	/nfs/dbraw/zinc/97/76/45/342977645.db2.gz	YPQAFWHSMWWPLX-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5		ADBARM
Cc1cc([N+](=O)[O-])cc(C(=O)[O-])c1N	4342484	342990992	/nfs/dbraw/zinc/99/09/92/342990992.db2.gz	BWOIVIORGIENRE-UHFFFAOYSA-N	-1	0	196.162	1.184	50	5		ADBARM
Cc1cc(C(=O)[O-])c(N)c([N+](=O)[O-])c1	4522412	342992427	/nfs/dbraw/zinc/99/24/27/342992427.db2.gz	RRUISNJFUYWQKF-UHFFFAOYSA-N	-1	0	196.162	1.184	50	5	in-vitro	ADBARM
Cc1cccc([N+](=O)[O-])c1CC(=O)[O-]	5218658	342999717	/nfs/dbraw/zinc/99/97/17/342999717.db2.gz	WFKNETIJXXWRHO-UHFFFAOYSA-N	-1	0	195.174	1.530	50	5		ADBARM
CCc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	7023220	343017429	/nfs/dbraw/zinc/01/74/29/343017429.db2.gz	DUTYVLOGZGRKMA-UHFFFAOYSA-N	-1	0	195.174	1.855	50	5	in-vitro	ADBARM
CC(C)n1nc([N+](=O)[O-])cc1C(=O)[O-]	12357795	343028791	/nfs/dbraw/zinc/02/87/91/343028791.db2.gz	ORAAYBGNOUMNMD-UHFFFAOYSA-N	-1	0	199.166	1.070	50	5		ADBARM
Cc1c(CC(=O)[O-])cccc1[N+](=O)[O-]	14989260	343040972	/nfs/dbraw/zinc/04/09/72/343040972.db2.gz	LWIOFILTAJJDLA-UHFFFAOYSA-N	-1	0	195.174	1.530	50	5	in-vitro	ADBARM
Cc1cc([O-])ccc1[N+](=O)[O-]	19230181	343052140	/nfs/dbraw/zinc/05/21/40/343052140.db2.gz	PIIZYNQECPTVEO-UHFFFAOYSA-N	-1	0	153.137	1.609	50	5	in-vitro	ADBARM
Cc1c([O-])cc([N+](=O)[O-])cc1[N+](=O)[O-]	19799860	343060822	/nfs/dbraw/zinc/06/08/22/343060822.db2.gz	KSHJAFFDLKPUMT-UHFFFAOYSA-N	-1	0	198.134	1.517	50	5	in-vitro	ADBARM
Cc1cc(C)c([N+](=O)[O-])c([O-])c1	19862382	343062345	/nfs/dbraw/zinc/06/23/45/343062345.db2.gz	YXNYMZXPUWOUJT-UHFFFAOYSA-N	-1	0	167.164	1.917	50	5	in-vitro	ADBARM
Cc1cccc([N+](=O)[O-])c1[O-]	19861881	343062505	/nfs/dbraw/zinc/06/25/05/343062505.db2.gz	AQDKZPFDOWHRDZ-UHFFFAOYSA-N	-1	0	153.137	1.609	50	5	in-vitro	ADBARM
Cc1c(O)ccc([N+](=O)[O-])c1[O-]	19893235	343063646	/nfs/dbraw/zinc/06/36/46/343063646.db2.gz	XUJPAYGWMCNRTA-UHFFFAOYSA-N	-1	0	169.136	1.314	50	5		ADBARM
CN(C)c1ccc([N+](=O)[O-])c([O-])c1	20232306	343070022	/nfs/dbraw/zinc/07/00/22/343070022.db2.gz	NDGHFOLJNKSCOW-UHFFFAOYSA-N	-1	0	182.179	1.366	50	5	in-vitro	ADBARM
Cc1ccc([O-])c([N+](=O)[O-])c1	20230664	343070103	/nfs/dbraw/zinc/07/01/03/343070103.db2.gz	SYDNSSSQVSOXTN-UHFFFAOYSA-N	-1	0	153.137	1.609	50	5	in-man	ADBARM
CC(C)c1[nH]nc(C(=O)[O-])c1[N+](=O)[O-]	22158186	343079738	/nfs/dbraw/zinc/07/97/38/343079738.db2.gz	KASVWBYINCPZIG-UHFFFAOYSA-N	-1	0	199.166	1.140	50	5	in-vitro	ADBARM
CCc1ccc([O-])c([N+](=O)[O-])c1	31333318	343093307	/nfs/dbraw/zinc/09/33/07/343093307.db2.gz	NKWRRUKHBWTRPY-UHFFFAOYSA-N	-1	0	167.164	1.863	50	5	in-vitro	ADBARM
Cc1ccc(C)c([N+](=O)[O-])c1[O-]	31666762	343093616	/nfs/dbraw/zinc/09/36/16/343093616.db2.gz	VIQHHRZADKSPIM-UHFFFAOYSA-N	-1	0	167.164	1.917	50	5	in-vitro	ADBARM
Cc1cc([O-])c([N+](=O)[O-])cc1C	31778262	343094144	/nfs/dbraw/zinc/09/41/44/343094144.db2.gz	KGDIYDUZVHFMHQ-UHFFFAOYSA-N	-1	0	167.164	1.917	50	5	in-vitro	ADBARM
Cc1cc([N+](=O)[O-])c(C(=O)[O-])cc1F	34119725	343111288	/nfs/dbraw/zinc/11/12/88/343111288.db2.gz	CFFQWWSEJHPZJD-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5	in-vitro	ADBARM
Cc1cc([O-])c([N+](=O)[O-])cc1F	34513920	343120670	/nfs/dbraw/zinc/12/06/70/343120670.db2.gz	ZFXOAEPSUSYKMW-UHFFFAOYSA-N	-1	0	171.127	1.748	50	5		ADBARM
Cc1ccc([N+](=O)[O-])c([O-])c1	34859009	343125427	/nfs/dbraw/zinc/12/54/27/343125427.db2.gz	NQXUSSVLFOBRSE-UHFFFAOYSA-N	-1	0	153.137	1.609	50	5		ADBARM
Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1C	35333638	343132378	/nfs/dbraw/zinc/13/23/78/343132378.db2.gz	YHDUXEJQMSMFFI-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5	in-vitro	ADBARM
Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1	35333705	343132417	/nfs/dbraw/zinc/13/24/17/343132417.db2.gz	XAPRFOJQNGFJSZ-UHFFFAOYSA-N	-1	0	181.147	1.601	50	5	in-vitro	ADBARM
Cc1cccc([O-])c1[N+](=O)[O-]	35799629	343139559	/nfs/dbraw/zinc/13/95/59/343139559.db2.gz	QIORDSKCCHRSSD-UHFFFAOYSA-N	-1	0	153.137	1.609	50	5	in-vitro	ADBARM
Cc1c(C(=O)[O-])cc(N)cc1[N+](=O)[O-]	39084280	343197224	/nfs/dbraw/zinc/19/72/24/343197224.db2.gz	OQNCKOPCRLYKOC-UHFFFAOYSA-N	-1	0	196.162	1.184	50	5		ADBARM
Cc1cc(F)c(C(=O)[O-])cc1[N+](=O)[O-]	39084649	343197383	/nfs/dbraw/zinc/19/73/83/343197383.db2.gz	UBAWHHHAAFFKGE-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5	in-vitro	ADBARM
CCc1ccc(C(=O)[O-])c([N+](=O)[O-])c1	39082944	343197512	/nfs/dbraw/zinc/19/75/12/343197512.db2.gz	BDNVPWUYDDMTFH-UHFFFAOYSA-N	-1	0	195.174	1.855	50	5		ADBARM
Cc1cnc([N+](=O)[O-])c([O-])c1	39123517	343202424	/nfs/dbraw/zinc/20/24/24/343202424.db2.gz	FESHDHSFWWFFFN-UHFFFAOYSA-N	-1	0	154.125	1.004	50	5		ADBARM
Cc1cc(C(=O)[O-])c(O)c([N+](=O)[O-])c1	39248561	343208241	/nfs/dbraw/zinc/20/82/41/343208241.db2.gz	MAQGNTACXAOLNE-UHFFFAOYSA-N	-1	0	197.146	1.307	50	5		ADBARM
Cc1ccc(C(=O)[O-])c(C)c1[N+](=O)[O-]	39291424	343210157	/nfs/dbraw/zinc/21/01/57/343210157.db2.gz	KBUZCIJRGFXZMN-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5		ADBARM
CCC(=O)c1cc([N+](=O)[O-])ccc1[O-]	39410222	343212324	/nfs/dbraw/zinc/21/23/24/343212324.db2.gz	XNYKMZXGGPYALK-UHFFFAOYSA-N	-1	0	195.174	1.893	50	5		ADBARM
Cc1cc([O-])cc(C)c1[N+](=O)[O-]	43732572	343259583	/nfs/dbraw/zinc/25/95/83/343259583.db2.gz	MMLPWOHLKRXZJA-UHFFFAOYSA-N	-1	0	167.164	1.917	50	5		ADBARM
Cc1cc([N+](=O)[O-])cc(C=O)c1[O-]	51287904	343289467	/nfs/dbraw/zinc/28/94/67/343289467.db2.gz	BENQWWGSDGYLAU-UHFFFAOYSA-N	-1	0	181.147	1.421	50	5		ADBARM
Cc1cc(C=O)c([O-])c([N+](=O)[O-])c1	51373521	343290118	/nfs/dbraw/zinc/29/01/18/343290118.db2.gz	WUGNDXPTZCCGDM-UHFFFAOYSA-N	-1	0	181.147	1.421	50	5		ADBARM
Cc1cc(C(=O)[O-])cc([N+](=O)[O-])c1F	63056389	343399122	/nfs/dbraw/zinc/39/91/22/343399122.db2.gz	MMZHXWQVBIZYBV-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5		ADBARM
Cc1cc([N+](=O)[O-])c([O-])cc1F	71257210	343551957	/nfs/dbraw/zinc/55/19/57/343551957.db2.gz	SYRLVBSEEMWFMS-UHFFFAOYSA-N	-1	0	171.127	1.748	50	5	in-vitro	ADBARM
Cc1cc(F)cc(C(=O)[O-])c1[N+](=O)[O-]	71617338	343557079	/nfs/dbraw/zinc/55/70/79/343557079.db2.gz	WKBHDCDQVWTTJV-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5	in-vitro	ADBARM
Cc1cc(F)c([O-])c([N+](=O)[O-])c1	71774214	343558192	/nfs/dbraw/zinc/55/81/92/343558192.db2.gz	HZSTVMNAYZSGTO-UHFFFAOYSA-N	-1	0	171.127	1.748	50	5		ADBARM
Cc1cc(F)c([N+](=O)[O-])cc1C(=O)[O-]	71790215	343558551	/nfs/dbraw/zinc/55/85/51/343558551.db2.gz	IBZJPGGBZMXXCE-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5	in-vitro	ADBARM
Cc1cc(C(=O)[O-])c([N+](=O)[O-])cc1C	71792952	343558938	/nfs/dbraw/zinc/55/89/38/343558938.db2.gz	XGXYTCSDJADEGC-UHFFFAOYSA-N	-1	0	195.174	1.910	50	5	in-vitro	ADBARM
Cc1c(C(=O)[O-])cc(O)cc1[N+](=O)[O-]	88189308	343668707	/nfs/dbraw/zinc/66/87/07/343668707.db2.gz	SIZLNSSDZQPNOE-UHFFFAOYSA-N	-1	0	197.146	1.307	50	5		ADBARM
Cc1ccc([O-])c([N+](=O)[O-])n1	89224378	343673892	/nfs/dbraw/zinc/67/38/92/343673892.db2.gz	WZMGQHIBXUAYGS-UHFFFAOYSA-N	-1	0	154.125	1.004	50	5		ADBARM
Cc1ccc([O-])c([N+](=O)[O-])c1[N+](=O)[O-]	91301266	343677075	/nfs/dbraw/zinc/67/70/75/343677075.db2.gz	HIQCTHFRLRVNPP-UHFFFAOYSA-N	-1	0	198.134	1.517	50	5	in-vitro	ADBARM
Cc1cc(O)c(C(=O)[O-])cc1[N+](=O)[O-]	96029250	343692767	/nfs/dbraw/zinc/69/27/67/343692767.db2.gz	FDFHHOYNTHKIJE-UHFFFAOYSA-N	-1	0	197.146	1.307	50	5	in-vitro	ADBARM
CNc1ccc([N+](=O)[O-])c([O-])c1	139470964	343994912	/nfs/dbraw/zinc/99/49/12/343994912.db2.gz	VEDQAJNCTODWDG-UHFFFAOYSA-N	-1	0	168.152	1.342	50	5		ADBARM
O=[N+]([O-])c1c(F)ccc([O-])c1F	165274677	344260989	/nfs/dbraw/zinc/26/09/89/344260989.db2.gz	IACXTMZHFZAVOP-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5		ADBARM
Nc1cc([O-])c([N+](=O)[O-])cc1Cl	167566402	344308271	/nfs/dbraw/zinc/30/82/71/344308271.db2.gz	ASVFTWPXJQDTRE-UHFFFAOYSA-N	-1	0	188.570	1.536	50	5		ADBARM
Cc1cc([N+](=O)[O-])c(C(=O)[O-])s1	201383839	344365227	/nfs/dbraw/zinc/36/52/27/344365227.db2.gz	ISTKGEQGXCFCQU-UHFFFAOYSA-N	-1	0	187.176	1.663	50	5		ADBARM
Cc1cc(C(=O)[O-])c(F)c([N+](=O)[O-])c1	215586718	344390292	/nfs/dbraw/zinc/39/02/92/344390292.db2.gz	ZTWREVVXWOIFGQ-UHFFFAOYSA-N	-1	0	199.137	1.741	50	5		ADBARM
Cc1c([O-])ccc([N+](=O)[O-])c1F	307310861	345962975	/nfs/dbraw/zinc/96/29/75/345962975.db2.gz	ZBZLWOLAWOWGSR-UHFFFAOYSA-N	-1	0	171.127	1.748	50	5		ADBARM
Cc1[n-]c(=O)c(Cl)cc1[N+](=O)[O-]	616575598	347102397	/nfs/dbraw/zinc/10/23/97/347102397.db2.gz	FLUALWYBEARFEP-UHFFFAOYSA-N	-1	0	188.570	1.657	50	5		ADBARM
O=[N+]([O-])c1ccc(Cl)c([O-])c1	78157	351269395	/nfs/dbraw/zinc/26/93/95/351269395.db2.gz	BUMGQSCPTLELLS-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
O=Cc1ccc([N+](=O)[O-])cc1C(=O)[O-]	1593010	351289196	/nfs/dbraw/zinc/28/91/96/351289196.db2.gz	IQZDAZHSOLMQJD-UHFFFAOYSA-N	-1	0	195.130	1.106	50	5		ADBARM
O=[N+]([O-])c1cccc(Cl)c1[O-]	1646566	351291402	/nfs/dbraw/zinc/29/14/02/351291402.db2.gz	ICCYFVWQNFMENX-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5		ADBARM
O=[N+]([O-])c1ccc([S-])cc1	1691710	351295062	/nfs/dbraw/zinc/29/50/62/351295062.db2.gz	AXBVSRMHOPMXBA-UHFFFAOYSA-N	-1	0	155.178	1.884	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cccc(F)c1[O-]	1706158	351296980	/nfs/dbraw/zinc/29/69/80/351296980.db2.gz	HIGRXCJEFUYRNW-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5		ADBARM
O=Cc1ccc([N+](=O)[O-])cc1[O-]	1730394	351298713	/nfs/dbraw/zinc/29/87/13/351298713.db2.gz	HHDPXULKSZZACU-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccccc1[S-]	2037528	351302049	/nfs/dbraw/zinc/30/20/49/351302049.db2.gz	JKIFPWHZEZQCQA-UHFFFAOYSA-N	-1	0	155.178	1.884	50	5		ADBARM
O=[N+]([O-])c1ccc([O-])c(F)c1	2040654	351302786	/nfs/dbraw/zinc/30/27/86/351302786.db2.gz	ORPHLVJBJOCHBR-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
Cc1sc(C(=O)[O-])cc1[N+](=O)[O-]	2566472	351312339	/nfs/dbraw/zinc/31/23/39/351312339.db2.gz	HUDBBNDAVUUGEF-UHFFFAOYSA-N	-1	0	187.176	1.663	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc(F)c(F)c1[O-]	2584294	351314029	/nfs/dbraw/zinc/31/40/29/351314029.db2.gz	KEGOHDCHURMFKX-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5		ADBARM
O=[N+]([O-])c1cccc([O-])c1[N+](=O)[O-]	3875434	351322859	/nfs/dbraw/zinc/32/28/59/351322859.db2.gz	MHKBMNACOMRIAW-UHFFFAOYSA-N	-1	0	184.107	1.209	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccccc1[S@@](=O)[O-]	5368662	351342419	/nfs/dbraw/zinc/34/24/19/351342419.db2.gz	BOJXVYVIGCXZJY-UHFFFAOYSA-N	-1	0	187.176	1.175	50	5		ADBARM
O=[N+]([O-])c1ccc([O-])c(Cl)c1	12358970	351364723	/nfs/dbraw/zinc/36/47/23/351364723.db2.gz	BOFRXDMCQRTGII-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
O=Cc1ccc([O-])cc1[N+](=O)[O-]	13540409	351369709	/nfs/dbraw/zinc/36/97/09/351369709.db2.gz	PTVFUHTYJLKEDZ-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5		ADBARM
O=[N+]([O-])c1ccc(F)c([O-])c1	14007835	351371987	/nfs/dbraw/zinc/37/19/87/351371987.db2.gz	WFRLFZAMCVAQLN-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
O=c1[n-][nH]c2ccc([N+](=O)[O-])cc12	14983542	351376488	/nfs/dbraw/zinc/37/64/88/351376488.db2.gz	XGSFRTHYHRTUCC-UHFFFAOYSA-N	-1	0	179.135	1.177	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([O-])c2ncccc12	15831592	351378916	/nfs/dbraw/zinc/37/89/16/351378916.db2.gz	RJIWZDNTCBHXAL-UHFFFAOYSA-N	-1	0	190.158	1.849	50	5	world	ADBARM
O=c1cn[n-]c2cccc([N+](=O)[O-])c12	15767317	351379270	/nfs/dbraw/zinc/37/92/70/351379270.db2.gz	ZIPKILGHRIMBEY-UHFFFAOYSA-N	-1	0	191.146	1.244	50	5		ADBARM
O=c1[nH][n-]c2c([N+](=O)[O-])cccc12	19850354	351395890	/nfs/dbraw/zinc/39/58/90/351395890.db2.gz	DIMKMDUVYPSCLV-UHFFFAOYSA-N	-1	0	179.135	1.177	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([S@](=O)[O-])cc1	31688020	351423571	/nfs/dbraw/zinc/42/35/71/351423571.db2.gz	STEQAYAHDVOFEC-UHFFFAOYSA-N	-1	0	187.176	1.175	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cccc([S@](=O)[O-])c1	34155181	351436061	/nfs/dbraw/zinc/43/60/61/351436061.db2.gz	AVHXRJBDMUSUCQ-UHFFFAOYSA-N	-1	0	187.176	1.175	50	5		ADBARM
O=[N+]([O-])c1ccc([O-])c(F)c1F	34317710	351437709	/nfs/dbraw/zinc/43/77/09/351437709.db2.gz	FCCFXVJUDSQIMG-UHFFFAOYSA-N	-1	0	175.090	1.579	50	5	in-vitro	ADBARM
O=Cc1ccc([N+](=O)[O-])c([O-])c1	34781158	351445577	/nfs/dbraw/zinc/44/55/77/351445577.db2.gz	AUBBVPIQUDFRQI-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([O-])cc1	34828682	351445591	/nfs/dbraw/zinc/44/55/91/351445591.db2.gz	BTJIUGUIPKRLHP-UHFFFAOYSA-N	-1	0	139.110	1.300	50	5	endogenous,in-man	ADBARM
O=Cc1cc([O-])ccc1[N+](=O)[O-]	34766253	351445691	/nfs/dbraw/zinc/44/56/91/351445691.db2.gz	XLYPHUGUKGMURE-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc(Cl)cc1[O-]	36719633	351458786	/nfs/dbraw/zinc/45/87/86/351458786.db2.gz	MZDBQSFPAMTTIS-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
O=Cc1c(C(=O)[O-])cccc1[N+](=O)[O-]	39082926	351490377	/nfs/dbraw/zinc/49/03/77/351490377.db2.gz	XGXMPDKOOQQSDX-UHFFFAOYSA-N	-1	0	195.130	1.106	50	5		ADBARM
O=[N+]([O-])c1cccc([O-])c1F	39088722	351490512	/nfs/dbraw/zinc/49/05/12/351490512.db2.gz	QZOGSUCWBIPKDC-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM
CCOc1cc([O-])ccc1[N+](=O)[O-]	39652213	351504158	/nfs/dbraw/zinc/50/41/58/351504158.db2.gz	ZUNWONPKZLVYCJ-UHFFFAOYSA-N	-1	0	183.163	1.699	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cnc(Cl)cc1[O-]	40448321	351506272	/nfs/dbraw/zinc/50/62/72/351506272.db2.gz	ISUVKOGCKDBJMD-UHFFFAOYSA-N	-1	0	174.543	1.349	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccnc(Cl)c1[O-]	45672794	351543055	/nfs/dbraw/zinc/54/30/55/351543055.db2.gz	UWEVMHYTZHHEJG-UHFFFAOYSA-N	-1	0	174.543	1.349	50	5	in-vitro	ADBARM
O=Cc1cc([N+](=O)[O-])ccc1[O-]	49538688	351547523	/nfs/dbraw/zinc/54/75/23/351547523.db2.gz	IHFRMUGEILMHNU-UHFFFAOYSA-N	-1	0	167.120	1.113	50	5	in-vitro	ADBARM
O=Cc1cc(F)c([O-])c([N+](=O)[O-])c1	72284164	351618726	/nfs/dbraw/zinc/61/87/26/351618726.db2.gz	CZOMOYVUYOVNHX-UHFFFAOYSA-N	-1	0	185.110	1.252	50	5	in-vitro	ADBARM
O=[N+]([O-])c1cccc([O-])c1Cl	95616288	351670854	/nfs/dbraw/zinc/67/08/54/351670854.db2.gz	QBGLHYQUZJDZOO-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc(O)cc1[O-]	96017931	351678529	/nfs/dbraw/zinc/67/85/29/351678529.db2.gz	CYEZXDVLBGFROE-UHFFFAOYSA-N	-1	0	155.109	1.006	50	5	endogenous,in-man	ADBARM
O=Cc1c(F)ccc([N+](=O)[O-])c1[O-]	97447142	351684120	/nfs/dbraw/zinc/68/41/20/351684120.db2.gz	GNCDIALVCFFHJZ-UHFFFAOYSA-N	-1	0	185.110	1.252	50	5	in-vitro	ADBARM
O=Cc1cc([N+](=O)[O-])c([O-])cc1F	97447140	351684572	/nfs/dbraw/zinc/68/45/72/351684572.db2.gz	OKOHNWCMTKVWQB-UHFFFAOYSA-N	-1	0	185.110	1.252	50	5		ADBARM
Cc1cc([N+](=O)[O-])c([O-])cc1N	575728526	352905293	/nfs/dbraw/zinc/90/52/93/352905293.db2.gz	RBHXNBBIUOSEHT-UHFFFAOYSA-N	-1	0	168.152	1.191	50	5		ADBARM
O=c1ccc([N+](=O)[O-])c(Cl)[n-]1	91297655	371655461	/nfs/dbraw/zinc/65/54/61/371655461.db2.gz	DOWNGLMVNBZIBG-UHFFFAOYSA-N	-1	0	174.543	1.349	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([O-])cc1Cl	36020360	375295604	/nfs/dbraw/zinc/29/56/04/375295604.db2.gz	DKTRZBWXGOPYIX-UHFFFAOYSA-N	-1	0	173.555	1.954	50	5	in-vitro	ADBARM
O=[N+]([O-])c1ccc([O-])cc1F	36047178	375295772	/nfs/dbraw/zinc/29/57/72/375295772.db2.gz	CSSGKHVRDGATJL-UHFFFAOYSA-N	-1	0	157.100	1.440	50	5	in-vitro	ADBARM