smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CNc1c(Cl)cc(C(=O)[N-]c2cnoc2)cc1[N+](=O)[O-]	ZINC000061686022	522542208	/nfs/dbraw/zinc/54/22/08/522542208.db2.gz	DNGGUCAXFCAPLT-UHFFFAOYSA-N	-1	3	296.670	2.530	10	5		CFBEHM
C[C@@H](C(=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000263370790	383660556	/nfs/dbraw/zinc/66/05/56/383660556.db2.gz	YBDOXGSMEXTODK-QMMMGPOBSA-N	-1	3	298.726	2.686	10	5		CFBEHM
NN=c1nc[n-]c(Nc2cccc3ccccc32)c1[N+](=O)[O-]	ZINC000040627164	174356924	/nfs/dbraw/zinc/35/69/24/174356924.db2.gz	WXFQWARLGFYIBK-UHFFFAOYSA-N	-1	3	296.290	2.567	10	5		CFBEHM
CCC[C@H](NCc1ccc([N+](=O)[O-])cc1Cl)C(=O)[O-]	ZINC000049964242	175505599	/nfs/dbraw/zinc/50/55/99/175505599.db2.gz	HJEKKMIUAOHLRW-NSHDSACASA-N	-1	3	286.715	2.591	10	5		CFBEHM
COC(=O)c1cccc2oc3cc(C)cc(=O)c-3c([O-])c21	ZINC000014492303	560221937	/nfs/dbraw/zinc/22/19/37/560221937.db2.gz	YEKIIDIQOZQXAX-UHFFFAOYSA-N	-1	3	284.267	2.747	10	5	in-vitro	CFBEHM
COC(=O)c1cccc2oc3cc(C)cc([O-])c3c(=O)c21	ZINC000014492303	560221938	/nfs/dbraw/zinc/22/19/38/560221938.db2.gz	YEKIIDIQOZQXAX-UHFFFAOYSA-N	-1	3	284.267	2.747	10	5	in-vitro	CFBEHM
O=[N+]([O-])c1cc([O-])c(OC(F)F)c(OC(F)(F)F)c1	ZINC000575668906	382783242	/nfs/dbraw/zinc/78/32/42/382783242.db2.gz	VRSSTNWYQILETE-UHFFFAOYSA-N	-1	3	289.112	2.800	10	5		CFBEHM
CCCCCON=C([O-])Nc1ccccc1[N+](=O)[O-]	ZINC000005596110	170117812	/nfs/dbraw/zinc/11/78/12/170117812.db2.gz	DJLRHDJDSYZPKI-UHFFFAOYSA-N	-1	3	267.285	2.838	10	5		CFBEHM
CCCCCO[N-]C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005596110	170117813	/nfs/dbraw/zinc/11/78/13/170117813.db2.gz	DJLRHDJDSYZPKI-UHFFFAOYSA-N	-1	3	267.285	2.838	10	5		CFBEHM
COc1ccccc1C=C([O-])c1ccc([N+](=O)[O-])o1	ZINC000038126609	174131996	/nfs/dbraw/zinc/13/19/96/174131996.db2.gz	BIDWNMOTMRHIPO-UHFFFAOYSA-N	-1	3	261.233	2.622	10	5		CFBEHM
C[C@@H](C(=O)[O-])N(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000263315418	620132203	/nfs/dbraw/zinc/13/22/03/620132203.db2.gz	HNSFMDCGYXNZQJ-QMMMGPOBSA-N	-1	3	298.726	2.686	10	5		CFBEHM
Cc1ccc([C@@H](C)N2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000086790939	179334737	/nfs/dbraw/zinc/33/47/37/179334737.db2.gz	XNHGHLNLCZHUHP-DGCLKSJQSA-N	-1	3	292.335	2.903	10	5		CFBEHM
CCC[C@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000050444701	283930763	/nfs/dbraw/zinc/93/07/63/283930763.db2.gz	MXVZTOAVPIFMEK-JTQLQIEISA-N	-1	3	286.715	2.591	10	5		CFBEHM
O=[N+]([O-])c1ccccc1-c1nc(-c2ccco2)n[n-]1	ZINC000026507835	372323388	/nfs/dbraw/zinc/32/33/88/372323388.db2.gz	AETBDJUEYMMNTP-UHFFFAOYSA-N	-1	3	256.221	2.640	10	5		CFBEHM
CCOC(=O)c1csc([N-]c2ccc([N+](=O)[O-])cc2)n1	ZINC000604941568	351231100	/nfs/dbraw/zinc/23/11/00/351231100.db2.gz	GEDDPKCAILDMBN-UHFFFAOYSA-N	-1	3	293.304	2.972	10	5		CFBEHM
O=[N+]([O-])c1cc([O-])cc(OC(F)(F)F)c1OC(F)F	ZINC000575669156	382783099	/nfs/dbraw/zinc/78/30/99/382783099.db2.gz	ZARZTAWJALYFMB-UHFFFAOYSA-N	-1	3	289.112	2.800	10	5		CFBEHM
O=C(Oc1ccccc1[N+](=O)[O-])c1ccccc1[O-]	ZINC000165625066	379042524	/nfs/dbraw/zinc/04/25/24/379042524.db2.gz	CPQWWWDFWLSCKW-UHFFFAOYSA-N	-1	3	259.217	2.520	10	5		CFBEHM
CCc1cc([N+](=O)[O-])cc([O-])c1OC(F)(F)F	ZINC000575706880	382792571	/nfs/dbraw/zinc/79/25/71/382792571.db2.gz	ZAWVXNPCTMHYTC-UHFFFAOYSA-N	-1	3	251.160	2.761	10	5		CFBEHM
O=[N+]([O-])c1ccc([N-]c2cccnc2)c([N+](=O)[O-])c1	ZINC000008419452	170335628	/nfs/dbraw/zinc/33/56/28/170335628.db2.gz	CWSWBLHFCFVGBB-UHFFFAOYSA-N	-1	3	260.209	2.642	10	5		CFBEHM
Cc1ccc([N-]C(=O)c2ccc(Cl)nn2)c([N+](=O)[O-])c1	ZINC000038104034	174119388	/nfs/dbraw/zinc/11/93/88/174119388.db2.gz	JYSJNJIBTZEOQO-UHFFFAOYSA-N	-1	3	292.682	2.599	10	5		CFBEHM
C[C@H](C(=O)[O-])N(Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	ZINC000263315416	289388318	/nfs/dbraw/zinc/38/83/18/289388318.db2.gz	HNSFMDCGYXNZQJ-MRVPVSSYSA-N	-1	3	298.726	2.686	10	5		CFBEHM
O=C([N-]c1ccc(=O)[nH]c1)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000312734223	527238649	/nfs/dbraw/zinc/23/86/49/527238649.db2.gz	TVFVBZALIRXDNL-UHFFFAOYSA-N	-1	3	293.666	2.601	10	5		CFBEHM
CCc1cc(OC(F)(F)F)c([N+](=O)[O-])cc1[O-]	ZINC000575705348	382792237	/nfs/dbraw/zinc/79/22/37/382792237.db2.gz	GLKKUPJZWQSUHX-UHFFFAOYSA-N	-1	3	251.160	2.761	10	5		CFBEHM
CC(C)C[C@@H](N[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000043433137	175043836	/nfs/dbraw/zinc/04/38/36/175043836.db2.gz	UBVUVKACEUTKKP-ZYHUDNBSSA-N	-1	3	280.324	2.745	10	5		CFBEHM
COCc1ccccc1[N-]c1ncnc(Cl)c1[N+](=O)[O-]	ZINC000050455488	523127582	/nfs/dbraw/zinc/12/75/82/523127582.db2.gz	IHAVXYMMRBNXHF-UHFFFAOYSA-N	-1	3	294.698	2.928	10	5		CFBEHM
COc1cc([O-])c2c(c1)cc1cc(C)oc(=O)c1c2O	ZINC000014768312	560099459	/nfs/dbraw/zinc/09/94/59/560099459.db2.gz	WEHXAEGTVPWKDY-UHFFFAOYSA-N	-1	3	272.256	2.674	10	5	endogenous,in-man	CFBEHM
COc1cc2c(=O)c3ccccc3oc2c([O-])c1OC	ZINC000005940182	560203797	/nfs/dbraw/zinc/20/37/97/560203797.db2.gz	HWDHDJJDOUMUHF-UHFFFAOYSA-N	-1	3	272.256	2.669	10	5	biogenic,in-vitro	CFBEHM
CC(C)C[C@@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000043433132	175043952	/nfs/dbraw/zinc/04/39/52/175043952.db2.gz	UBVUVKACEUTKKP-CMPLNLGQSA-N	-1	3	280.324	2.745	10	5		CFBEHM
O=[N+]([O-])c1cccc([N-]c2ncnc(Cl)c2[N+](=O)[O-])c1	ZINC000040571323	174338634	/nfs/dbraw/zinc/33/86/34/174338634.db2.gz	IFKPOXFLJZGPOA-UHFFFAOYSA-N	-1	3	295.642	2.690	10	5		CFBEHM
Cc1ccc([N+](=O)[O-])cc1-c1nc(C(C)(C)C)cc(=O)[n-]1	ZINC000050441248	526067087	/nfs/dbraw/zinc/06/70/87/526067087.db2.gz	NHJFEAKOLZPYBB-UHFFFAOYSA-N	-1	3	287.319	2.951	10	5		CFBEHM
CCc1ccc([O-])c(OC(F)(F)F)c1[N+](=O)[O-]	ZINC000575705461	382792172	/nfs/dbraw/zinc/79/21/72/382792172.db2.gz	HIDQBGTYAWWAPM-UHFFFAOYSA-N	-1	3	251.160	2.761	10	5		CFBEHM
CC(C)C[C@H](N[C@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000043433134	175043793	/nfs/dbraw/zinc/04/37/93/175043793.db2.gz	UBVUVKACEUTKKP-PWSUYJOCSA-N	-1	3	280.324	2.745	10	5		CFBEHM
Cc1cc2n[n-]c(Br)c2c([N+](=O)[O-])c1	ZINC000014983781	260084533	/nfs/dbraw/zinc/08/45/33/260084533.db2.gz	UPLLTWGZZGYQPZ-UHFFFAOYSA-N	-1	3	256.059	2.542	10	5		CFBEHM
Cc1cc2[n-]nc(Br)c2c([N+](=O)[O-])c1	ZINC000014983781	260084534	/nfs/dbraw/zinc/08/45/34/260084534.db2.gz	UPLLTWGZZGYQPZ-UHFFFAOYSA-N	-1	3	256.059	2.542	10	5		CFBEHM
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CC(=O)[O-]	ZINC000086791931	179336059	/nfs/dbraw/zinc/33/60/59/179336059.db2.gz	UHAXHZHQKOUPCG-CMPLNLGQSA-N	-1	3	278.308	2.595	10	5		CFBEHM
CSc1c2cc([N+](=O)[O-])ccc2oc1C(=O)[O-]	ZINC000584881314	348724965	/nfs/dbraw/zinc/72/49/65/348724965.db2.gz	GYCSVZGYVNGBRZ-UHFFFAOYSA-N	-1	3	253.235	2.761	10	5		CFBEHM
CCn1cc([C@@H](C)Nc2ccc([O-])cc2[N+](=O)[O-])cn1	ZINC000044498665	175184905	/nfs/dbraw/zinc/18/49/05/175184905.db2.gz	RPDYBNSPJBWUGK-SECBINFHSA-N	-1	3	276.296	2.690	10	5		CFBEHM
C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]1CC(=O)[O-]	ZINC000086791934	179336351	/nfs/dbraw/zinc/33/63/51/179336351.db2.gz	UHAXHZHQKOUPCG-ZYHUDNBSSA-N	-1	3	278.308	2.595	10	5		CFBEHM
CC(=O)c1ccc([N-]c2ncccc2C=O)c([N+](=O)[O-])c1	ZINC000584632675	348696125	/nfs/dbraw/zinc/69/61/25/348696125.db2.gz	IZFHRNVEKNBCGQ-UHFFFAOYSA-N	-1	3	285.259	2.749	10	5		CFBEHM
CCc1cc(OC(F)(F)F)c([O-])cc1[N+](=O)[O-]	ZINC000575706572	382792525	/nfs/dbraw/zinc/79/25/25/382792525.db2.gz	QHEWZDYLVPQUOZ-UHFFFAOYSA-N	-1	3	251.160	2.761	10	5		CFBEHM
C[C@H]1CCCC[C@H]1Nc1[n-]c(=O)ccc1[N+](=O)[O-]	ZINC000118270533	347796930	/nfs/dbraw/zinc/79/69/30/347796930.db2.gz	WDTXQCCQDZDOOI-DTWKUNHWSA-N	-1	3	251.286	2.686	10	5		CFBEHM
O=[N+]([O-])c1c(OC(F)F)c([O-])ccc1C(F)(F)F	ZINC000575665306	382782306	/nfs/dbraw/zinc/78/23/06/382782306.db2.gz	CHHHWUNJSIURMM-UHFFFAOYSA-N	-1	3	273.113	2.921	10	5		CFBEHM
O=C([N-]c1onc2c1CCCC2)c1ccc([N+](=O)[O-])s1	ZINC000008736929	170352547	/nfs/dbraw/zinc/35/25/47/170352547.db2.gz	NUBCSVNKNBJEHK-UHFFFAOYSA-N	-1	3	293.304	2.775	10	5		CFBEHM
O=C(Nc1cccc([O-])c1)c1cc([N+](=O)[O-])ccc1F	ZINC000040690941	174377347	/nfs/dbraw/zinc/37/73/47/174377347.db2.gz	KPSHUTKHWWSOLQ-UHFFFAOYSA-N	-1	3	276.223	2.692	10	5		CFBEHM
Cc1nn(C)c(C)c1[C@H](C)Nc1ccc([O-])cc1[N+](=O)[O-]	ZINC000045171277	175321072	/nfs/dbraw/zinc/32/10/72/175321072.db2.gz	SBJIZGRDVYPSIV-QMMMGPOBSA-N	-1	3	290.323	2.824	10	5		CFBEHM
COc1ccc2oc3cc(OC)cc(=O)c-3c([O-])c2c1	ZINC000014821963	372074147	/nfs/dbraw/zinc/07/41/47/372074147.db2.gz	FWBPZAVSTQBRKT-UHFFFAOYSA-N	-1	3	272.256	2.669	10	5	endogenous,in-man	CFBEHM
COc1ccc2oc3cc(OC)cc([O-])c3c(=O)c2c1	ZINC000014821963	372074153	/nfs/dbraw/zinc/07/41/53/372074153.db2.gz	FWBPZAVSTQBRKT-UHFFFAOYSA-N	-1	3	272.256	2.669	10	5	endogenous,in-man	CFBEHM
O=[N+]([O-])c1cc([O-])c(OC(F)(F)F)cc1OC(F)F	ZINC000575666438	382782773	/nfs/dbraw/zinc/78/27/73/382782773.db2.gz	ITODZURAMPYTDR-UHFFFAOYSA-N	-1	3	289.112	2.800	10	5		CFBEHM
O=c1nc(-c2ccc([N+](=O)[O-])cc2)cc(C(F)(F)F)[n-]1	ZINC000390824993	382618653	/nfs/dbraw/zinc/61/86/53/382618653.db2.gz	SMWGXSIMABHRRU-UHFFFAOYSA-N	-1	3	285.181	2.776	10	5		CFBEHM
CCCCCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005951340	170161086	/nfs/dbraw/zinc/16/10/86/170161086.db2.gz	MHSOECMYQZISDD-UHFFFAOYSA-N	-1	3	267.285	2.838	10	5		CFBEHM
Nc1ccc([N+](=O)[O-])c(C(=O)[N-]c2c(F)cccc2F)c1	ZINC000050700439	527501974	/nfs/dbraw/zinc/50/19/74/527501974.db2.gz	ORALPRYCCUXXEB-UHFFFAOYSA-N	-1	3	293.229	2.708	10	5		CFBEHM
O=[N+]([O-])c1cc2n[n-]c(Br)c2c(Cl)c1	ZINC000014984758	346234899	/nfs/dbraw/zinc/23/48/99/346234899.db2.gz	YPJRRTYQFCIKLA-UHFFFAOYSA-N	-1	3	276.477	2.887	10	5		CFBEHM
COc1cc(C)c2c([O-])c3c(=O)cc(OC)cc-3oc2c1	ZINC000005765166	170138454	/nfs/dbraw/zinc/13/84/54/170138454.db2.gz	QDLAGTHXVHQKRE-UHFFFAOYSA-N	-1	3	286.283	2.977	10	5	biogenic,in-vitro	CFBEHM
COc1cc(C)c2c(c1)oc1cc(OC)cc([O-])c1c2=O	ZINC000005765166	170138457	/nfs/dbraw/zinc/13/84/57/170138457.db2.gz	QDLAGTHXVHQKRE-UHFFFAOYSA-N	-1	3	286.283	2.977	10	5	biogenic,in-vitro	CFBEHM
O=C(NC(=S)[N-]c1ccccc1[N+](=O)[O-])C1CCCC1	ZINC000006633666	170220476	/nfs/dbraw/zinc/22/04/76/170220476.db2.gz	MBRQJNHDCCKLLA-UHFFFAOYSA-N	-1	3	293.348	2.598	10	5		CFBEHM
Nc1nc(C(=O)[N-]c2cc(Cl)ccc2[N+](=O)[O-])cs1	ZINC000055186124	527545596	/nfs/dbraw/zinc/54/55/96/527545596.db2.gz	SBIISVCCBQLMDJ-UHFFFAOYSA-N	-1	3	298.711	2.539	10	5		CFBEHM
C[C@@H]1CCCC[C@H]1Nc1[n-]c(=O)ccc1[N+](=O)[O-]	ZINC000118270532	347796973	/nfs/dbraw/zinc/79/69/73/347796973.db2.gz	WDTXQCCQDZDOOI-RKDXNWHRSA-N	-1	3	251.286	2.686	10	5		CFBEHM
Cn1c2cc([O-])cc(O)c2c(=O)c2cccc(Cl)c21	ZINC000027556380	372343416	/nfs/dbraw/zinc/34/34/16/372343416.db2.gz	AHLKITVRBCBLKV-UHFFFAOYSA-N	-1	3	275.691	2.756	10	5		CFBEHM
Cc1cccc([N+](=O)[O-])c1C([O-])=Cc1ccccn1	ZINC000020578491	171256576	/nfs/dbraw/zinc/25/65/76/171256576.db2.gz	GOEGPPJFBDBLOE-UHFFFAOYSA-N	-1	3	256.261	2.724	10	5		CFBEHM
Cc1nn(C)c(C)c1[C@@H](C)Nc1ccc([O-])cc1[N+](=O)[O-]	ZINC000045171275	175321081	/nfs/dbraw/zinc/32/10/81/175321081.db2.gz	SBJIZGRDVYPSIV-MRVPVSSYSA-N	-1	3	290.323	2.824	10	5		CFBEHM
C[C@H]1CCCC[C@@H]1Nc1[n-]c(=O)ccc1[N+](=O)[O-]	ZINC000118270530	347796940	/nfs/dbraw/zinc/79/69/40/347796940.db2.gz	WDTXQCCQDZDOOI-IUCAKERBSA-N	-1	3	251.286	2.686	10	5		CFBEHM
C[C@H](C(=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000263370788	383660590	/nfs/dbraw/zinc/66/05/90/383660590.db2.gz	YBDOXGSMEXTODK-MRVPVSSYSA-N	-1	3	298.726	2.686	10	5		CFBEHM
O=c1cc(Nc2cccc([N+](=O)[O-])c2)[n-]n1-c1ccccc1	ZINC000196234032	397612415	/nfs/dbraw/zinc/61/24/15/397612415.db2.gz	XVMYATGIHCGYEL-UHFFFAOYSA-N	-1	3	296.286	2.757	10	5		CFBEHM
CC(C)C[C@H](N[C@@H](C)c1ccccc1[N+](=O)[O-])C(=O)[O-]	ZINC000043433130	175043963	/nfs/dbraw/zinc/04/39/63/175043963.db2.gz	UBVUVKACEUTKKP-JQWIXIFHSA-N	-1	3	280.324	2.745	10	5		CFBEHM
O=c1c(Br)c[n-]c2c1cccc2[N+](=O)[O-]	ZINC000039216159	346342467	/nfs/dbraw/zinc/34/24/67/346342467.db2.gz	WPBBYMIFQRSHRX-UHFFFAOYSA-N	-1	3	269.054	2.611	10	5		CFBEHM
O=c1ccc2c([n-]1)C(=O)c1nccc3c4ccccc4nc-2c31	ZINC000026975401	372332451	/nfs/dbraw/zinc/33/24/51/372332451.db2.gz	FMGJTMSTEPAFJK-UHFFFAOYSA-N	-1	3	299.289	2.683	10	5		CFBEHM
O=C(Nc1cccc([O-])c1)c1ccc(F)c([N+](=O)[O-])c1	ZINC000040418634	174256539	/nfs/dbraw/zinc/25/65/39/174256539.db2.gz	OGJLWXMGTBZPLA-UHFFFAOYSA-N	-1	3	276.223	2.692	10	5		CFBEHM
O=[N+]([O-])c1ccc(C([O-])=Cc2ccccn2)c(F)c1	ZINC000043570922	175068426	/nfs/dbraw/zinc/06/84/26/175068426.db2.gz	SYJMNYNPHSSBHY-UHFFFAOYSA-N	-1	3	260.224	2.554	10	5		CFBEHM
Cc1ccc([N+](=O)[O-])cc1-c1nc(C(C)C)cc(=O)[n-]1	ZINC000050441250	526066251	/nfs/dbraw/zinc/06/62/51/526066251.db2.gz	QPEMMFUYGIWYPJ-UHFFFAOYSA-N	-1	3	273.292	2.777	10	5		CFBEHM
COc1ccc2c(c1)oc1c(ccc([O-])c1OC)c2=O	ZINC000014822085	372073725	/nfs/dbraw/zinc/07/37/25/372073725.db2.gz	IBSCKEWUTXBPBJ-UHFFFAOYSA-N	-1	3	272.256	2.669	10	5		CFBEHM
CNc1ncnc([N-]c2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040595672	174348653	/nfs/dbraw/zinc/34/86/53/174348653.db2.gz	JNBCZFPIJAZFBJ-UHFFFAOYSA-N	-1	3	296.290	2.718	10	5		CFBEHM
CCn1cc([C@H](C)Nc2ccc([O-])cc2[N+](=O)[O-])cn1	ZINC000044498667	175184689	/nfs/dbraw/zinc/18/46/89/175184689.db2.gz	RPDYBNSPJBWUGK-VIFPVBQESA-N	-1	3	276.296	2.690	10	5		CFBEHM
O=[N+]([O-])c1ccc2nc(C(F)(F)C(F)F)[n-]c2c1	ZINC000072265951	176352116	/nfs/dbraw/zinc/35/21/16/176352116.db2.gz	WQWCQZQPBXWPSA-UHFFFAOYSA-N	-1	3	263.150	2.828	10	5		CFBEHM
O=[N+]([O-])c1ccc2[n-]c(C(F)(F)C(F)F)nc2c1	ZINC000072265951	176352117	/nfs/dbraw/zinc/35/21/17/176352117.db2.gz	WQWCQZQPBXWPSA-UHFFFAOYSA-N	-1	3	263.150	2.828	10	5		CFBEHM
CCC[C@@H](NCc1ccc(Cl)cc1[N+](=O)[O-])C(=O)[O-]	ZINC000050444703	520779435	/nfs/dbraw/zinc/77/94/35/520779435.db2.gz	MXVZTOAVPIFMEK-SNVBAGLBSA-N	-1	3	286.715	2.591	10	5		CFBEHM
C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CC(=O)[O-]	ZINC000086791799	179336196	/nfs/dbraw/zinc/33/61/96/179336196.db2.gz	OHHZADOCEMAHKW-WDEREUQCSA-N	-1	3	278.308	2.595	10	5		CFBEHM
CCc1c(OC(F)(F)F)cc([O-])cc1[N+](=O)[O-]	ZINC000575706603	382792544	/nfs/dbraw/zinc/79/25/44/382792544.db2.gz	SEVTWVSMRWIWRF-UHFFFAOYSA-N	-1	3	251.160	2.761	10	5		CFBEHM
O=[N+]([O-])c1c(Oc2ccccc2[O-])nc2sccn21	ZINC000037674598	372688525	/nfs/dbraw/zinc/68/85/25/372688525.db2.gz	QKFWAUNZZGJIHC-UHFFFAOYSA-N	-1	3	277.261	2.802	10	5		CFBEHM
O=[N+]([O-])c1cccc(OCc2nc(-c3ccco3)n[n-]2)c1	ZINC000072236757	374236236	/nfs/dbraw/zinc/23/62/36/374236236.db2.gz	LCZXBXKHYSRSCU-UHFFFAOYSA-N	-1	3	286.247	2.552	10	5		CFBEHM
Cc1ccc2cccc([N-]c3ncnc(N)c3[N+](=O)[O-])c2n1	ZINC000040608688	174353585	/nfs/dbraw/zinc/35/35/85/174353585.db2.gz	HNTUQVKQZHJCSW-UHFFFAOYSA-N	-1	3	296.290	2.567	10	5		CFBEHM
CCCc1cc(=O)[n-]c(-c2cc([N+](=O)[O-])ccc2C)n1	ZINC000050441247	521340447	/nfs/dbraw/zinc/34/04/47/521340447.db2.gz	JQOJIXUUZAANRW-UHFFFAOYSA-N	-1	3	273.292	2.606	10	5		CFBEHM
Cc1ccc2n[n-]c(Br)c2c1[N+](=O)[O-]	ZINC000306986725	348394478	/nfs/dbraw/zinc/39/44/78/348394478.db2.gz	XWFVCESHVDDNEP-UHFFFAOYSA-N	-1	3	256.059	2.542	10	5		CFBEHM
Cc1ccc2[n-]nc(Br)c2c1[N+](=O)[O-]	ZINC000306986725	348394482	/nfs/dbraw/zinc/39/44/82/348394482.db2.gz	XWFVCESHVDDNEP-UHFFFAOYSA-N	-1	3	256.059	2.542	10	5		CFBEHM
CCc1cc([O-])c(OC(F)(F)F)c([N+](=O)[O-])c1	ZINC000575705990	382792248	/nfs/dbraw/zinc/79/22/48/382792248.db2.gz	LFEHSONITJVBJJ-UHFFFAOYSA-N	-1	3	251.160	2.761	10	5		CFBEHM
O=[N+]([O-])c1ccccc1OCc1nc(-c2ccco2)n[n-]1	ZINC000072237513	176346000	/nfs/dbraw/zinc/34/60/00/176346000.db2.gz	OCPQTDGIFGUOQB-UHFFFAOYSA-N	-1	3	286.247	2.552	10	5		CFBEHM
CCC[C@]1(C(=O)[O-])CCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000086781643	179331120	/nfs/dbraw/zinc/33/11/20/179331120.db2.gz	BFNHMWFZLHNOFM-ZDUSSCGKSA-N	-1	3	298.364	2.733	10	5		CFBEHM
CC(C)CCO[N-]C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005727073	170133931	/nfs/dbraw/zinc/13/39/31/170133931.db2.gz	WAOIDQSSFJKKTC-UHFFFAOYSA-N	-1	3	267.285	2.694	10	5		CFBEHM
CN(C(=O)c1ccccc1[N+](=O)[O-])c1ccc([O-])cc1	ZINC000020211151	171074898	/nfs/dbraw/zinc/07/48/98/171074898.db2.gz	UKQVYEPDKQVOLL-UHFFFAOYSA-N	-1	3	272.260	2.577	10	5		CFBEHM
CCNc1ncnc([N-]c2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000040596567	174348864	/nfs/dbraw/zinc/34/88/64/174348864.db2.gz	WMJWHFXJMGJPBS-UHFFFAOYSA-N	-1	3	295.249	2.838	10	5		CFBEHM
COc1cc(/C=C/Br)c([N+](=O)[O-])cc1[O-]	ZINC000685963907	570407112	/nfs/dbraw/zinc/40/71/12/570407112.db2.gz	IXWUWQQOPVQRSF-NSCUHMNNSA-N	-1	3	274.070	2.675	10	5		CFBEHM
O=c1cc[n-]c2c1-c1nc3ccccc3c3ccnc(c31)C2=O	ZINC000014589173	372071322	/nfs/dbraw/zinc/07/13/22/372071322.db2.gz	QSJNAFJALFWFMT-UHFFFAOYSA-N	-1	3	299.289	2.683	10	5		CFBEHM
O=[N+]([O-])c1cc(OC(F)(F)F)cc([O-])c1OC(F)F	ZINC000575666013	382782323	/nfs/dbraw/zinc/78/23/23/382782323.db2.gz	GHZUUNSMHPDSFZ-UHFFFAOYSA-N	-1	3	289.112	2.800	10	5		CFBEHM
CC(C)CCON=C([O-])Nc1ccccc1[N+](=O)[O-]	ZINC000005522282	170108185	/nfs/dbraw/zinc/10/81/85/170108185.db2.gz	YNMDLUXEDRMRFD-UHFFFAOYSA-N	-1	3	267.285	2.694	10	5		CFBEHM
CC(C)CCO[N-]C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000005522282	170108186	/nfs/dbraw/zinc/10/81/86/170108186.db2.gz	YNMDLUXEDRMRFD-UHFFFAOYSA-N	-1	3	267.285	2.694	10	5		CFBEHM
O=[N+]([O-])c1cc(Cl)ccc1-c1n[n-]c(=S)o1	ZINC000020584143	171257825	/nfs/dbraw/zinc/25/78/25/171257825.db2.gz	OGCBSFGRYYAOAE-UHFFFAOYSA-N	-1	3	257.658	2.587	10	5		CFBEHM
CC(C)(C)Nc1ncnc([N-]c2cccnc2)c1[N+](=O)[O-]	ZINC000040581665	174344956	/nfs/dbraw/zinc/34/49/56/174344956.db2.gz	TYOPMDPIVPIEGC-UHFFFAOYSA-N	-1	3	288.311	2.734	10	5		CFBEHM
CCNc1ncnc([N-]c2ccccc2F)c1[N+](=O)[O-]	ZINC000040596246	174348837	/nfs/dbraw/zinc/34/88/37/174348837.db2.gz	OOLVISWQOGWPOY-UHFFFAOYSA-N	-1	3	277.259	2.699	10	5		CFBEHM
CCOC(=O)c1cc([N+](=O)[O-])c([O-])nc1-c1ccccc1	ZINC000575434099	382770876	/nfs/dbraw/zinc/77/08/76/382770876.db2.gz	FUAZJPFJBUMYSU-UHFFFAOYSA-N	-1	3	288.259	2.539	10	5		CFBEHM
O=c1ccc([N+](=O)[O-])c(NC2CCCCCC2)[n-]1	ZINC000118273614	347797034	/nfs/dbraw/zinc/79/70/34/347797034.db2.gz	LWUFAGNPFPPDTR-UHFFFAOYSA-N	-1	3	251.286	2.830	10	5		CFBEHM
Cc1ccc([C@H](C)N2CCC[C@@H]2CC(=O)[O-])cc1[N+](=O)[O-]	ZINC000086790941	179335112	/nfs/dbraw/zinc/33/51/12/179335112.db2.gz	XNHGHLNLCZHUHP-WCQYABFASA-N	-1	3	292.335	2.903	10	5		CFBEHM
CSc1c2ccc([N+](=O)[O-])cc2oc1C(=O)[O-]	ZINC000584882083	348725753	/nfs/dbraw/zinc/72/57/53/348725753.db2.gz	ZQSROGLSYVAAQC-UHFFFAOYSA-N	-1	3	253.235	2.761	10	5		CFBEHM
O=C([O-])C1CCC(CNCc2ccccc2[N+](=O)[O-])CC1	ZINC000004670090	371871566	/nfs/dbraw/zinc/87/15/66/371871566.db2.gz	MGZUORCZDGTMJY-UHFFFAOYSA-N	-1	3	292.335	2.575	10	5		CFBEHM
O=[N+]([O-])c1cc([O-])cc(OC(F)F)c1OC(F)(F)F	ZINC000575668281	382783280	/nfs/dbraw/zinc/78/32/80/382783280.db2.gz	UFOZMTZGJRBAHD-UHFFFAOYSA-N	-1	3	289.112	2.800	10	5		CFBEHM
CCc1cc([O-])cc([N+](=O)[O-])c1OC(F)(F)F	ZINC000575706884	382792668	/nfs/dbraw/zinc/79/26/68/382792668.db2.gz	ZERZDSCRIQDUPJ-UHFFFAOYSA-N	-1	3	251.160	2.761	10	5		CFBEHM
C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]1CC(=O)[O-]	ZINC000086791802	179335775	/nfs/dbraw/zinc/33/57/75/179335775.db2.gz	OHHZADOCEMAHKW-GHMZBOCLSA-N	-1	3	278.308	2.595	10	5		CFBEHM
O=[N+]([O-])c1cccc(-c2nc(-c3ccccc3[O-])n[nH]2)c1	ZINC000026508196	372323659	/nfs/dbraw/zinc/32/36/59/372323659.db2.gz	OHDSWPQPROZHJT-UHFFFAOYSA-N	-1	3	282.259	2.753	10	5		CFBEHM
Cc1cc(C)cc(Nc2c(C)c[n-]c(=O)c2[N+](=O)[O-])c1	ZINC000005892065	170150995	/nfs/dbraw/zinc/15/09/95/170150995.db2.gz	FUPRFIZUIOELKY-UHFFFAOYSA-N	-1	3	273.292	2.952	10	5		CFBEHM
COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1[O-]	ZINC000021002501	171284686	/nfs/dbraw/zinc/28/46/86/171284686.db2.gz	WTBAXLXBNIUVAH-UHFFFAOYSA-N	-1	3	288.259	2.561	10	5		CFBEHM
O=C(OCc1ccccc1)c1ccc([N+](=O)[O-])cc1[O-]	ZINC000584597150	397585737	/nfs/dbraw/zinc/58/57/37/397585737.db2.gz	GMWIBGYIXVXNQK-UHFFFAOYSA-N	-1	3	273.244	2.657	10	5		CFBEHM
COc1ccc2c([O-])c3c(=O)cc(OC)cc-3oc2c1	ZINC000006424505	170200164	/nfs/dbraw/zinc/20/01/64/170200164.db2.gz	QSLRRPCBNMVEHD-UHFFFAOYSA-N	-1	3	272.256	2.669	10	5		CFBEHM
COc1ccc2c(c1)oc1cc(OC)cc([O-])c1c2=O	ZINC000006424505	170200165	/nfs/dbraw/zinc/20/01/65/170200165.db2.gz	QSLRRPCBNMVEHD-UHFFFAOYSA-N	-1	3	272.256	2.669	10	5		CFBEHM
CCCCC(=O)NC(=S)[N-]c1ccccc1[N+](=O)[O-]	ZINC000013985647	170613890	/nfs/dbraw/zinc/61/38/90/170613890.db2.gz	CESQPPIZNBLQJW-UHFFFAOYSA-N	-1	3	281.337	2.598	10	5		CFBEHM
CNc1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-]	ZINC000040595747	174348444	/nfs/dbraw/zinc/34/84/44/174348444.db2.gz	SUQOKMNYBMJYER-UHFFFAOYSA-N	-1	3	279.687	2.824	10	5		CFBEHM
CC(C)c1ccc(Nc2[n-]cnc(=NN)c2[N+](=O)[O-])cc1	ZINC000040594639	174348338	/nfs/dbraw/zinc/34/83/38/174348338.db2.gz	RIEGSTJLQADWJH-UHFFFAOYSA-N	-1	3	288.311	2.537	10	5		CFBEHM
COc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccco2)n[n-]1	ZINC000072237777	176346839	/nfs/dbraw/zinc/34/68/39/176346839.db2.gz	VOCJJRARKAGIII-UHFFFAOYSA-N	-1	3	286.247	2.649	10	5		CFBEHM
C[C@@H]1CCCC[C@@H]1Nc1[n-]c(=O)ccc1[N+](=O)[O-]	ZINC000118270528	347796776	/nfs/dbraw/zinc/79/67/76/347796776.db2.gz	WDTXQCCQDZDOOI-BDAKNGLRSA-N	-1	3	251.286	2.686	10	5		CFBEHM
O=[N+]([O-])c1ccccc1NC([O-])=NOCc1ccccc1	ZINC000005773573	170139317	/nfs/dbraw/zinc/13/93/17/170139317.db2.gz	WNYZHPCCZWKRAU-UHFFFAOYSA-N	-1	3	287.275	2.848	10	5		CFBEHM
O=C([N-]OCc1ccccc1)Nc1ccccc1[N+](=O)[O-]	ZINC000005773573	170139318	/nfs/dbraw/zinc/13/93/18/170139318.db2.gz	WNYZHPCCZWKRAU-UHFFFAOYSA-N	-1	3	287.275	2.848	10	5		CFBEHM
Cc1c[n-]c(=O)c([N+](=O)[O-])c1Sc1ccccc1	ZINC000005891822	170151093	/nfs/dbraw/zinc/15/10/93/170151093.db2.gz	RYOFLAMAIGLWEH-UHFFFAOYSA-N	-1	3	262.290	2.743	10	5		CFBEHM
CN(C)c1ncnc([N-]c2ccccc2Cl)c1[N+](=O)[O-]	ZINC000040608436	174353125	/nfs/dbraw/zinc/35/31/25/174353125.db2.gz	QTXSUUYSQBVRNA-UHFFFAOYSA-N	-1	3	293.714	2.848	10	5		CFBEHM
CCOc1ncnc([N-]c2ccc(F)cc2F)c1[N+](=O)[O-]	ZINC000040659611	174365978	/nfs/dbraw/zinc/36/59/78/174365978.db2.gz	YAEMHKYFZFJEIF-UHFFFAOYSA-N	-1	3	296.233	2.805	10	5		CFBEHM
CCC[C@@]1(C(=O)[O-])CCN(Cc2csc([N+](=O)[O-])c2)C1	ZINC000086781644	179330920	/nfs/dbraw/zinc/33/09/20/179330920.db2.gz	BFNHMWFZLHNOFM-CYBMUJFWSA-N	-1	3	298.364	2.733	10	5		CFBEHM
O=[N+]([O-])c1c(OC(F)F)ccc([O-])c1OC(F)(F)F	ZINC000575667192	382782684	/nfs/dbraw/zinc/78/26/84/382782684.db2.gz	KWDCEMJUZOSWDY-UHFFFAOYSA-N	-1	3	289.112	2.800	10	5		CFBEHM
O=[N+]([O-])c1cc([O-])c(OC(F)F)cc1OC(F)(F)F	ZINC000575668359	382783199	/nfs/dbraw/zinc/78/31/99/382783199.db2.gz	VKLNFPVIYIDTLE-UHFFFAOYSA-N	-1	3	289.112	2.800	10	5		CFBEHM