smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])Cc1ccccn1	1591616	534878172	/nfs/dbraw/zinc/87/81/72/534878172.db2.gz	KBRRIEFTVXTTCR-UHFFFAOYSA-N	0	0	138.126	0.858	40	5		ACBBRN
O=[N+]([O-])c1cn[n+]([O-])c2ccccc12	1566757	534974651	/nfs/dbraw/zinc/97/46/51/534974651.db2.gz	HEOBQABYEWTBLN-UHFFFAOYSA-N	0	0	191.146	0.776	40	5		ACBBRN
C[N+](C)(C)C/C=C\C(=O)[O-]	31259585	537789926	/nfs/dbraw/zinc/78/99/26/537789926.db2.gz	GUYHPGUANSLONG-PLNGDYQASA-O	0	0	144.194	0.333	40	5	in-vitro	ACBBRN
CN(C)Cc1cc([N+](=O)[O-])nn1C	685936739	537812005	/nfs/dbraw/zinc/81/20/05/537812005.db2.gz	USQXAARAHAJPQU-UHFFFAOYSA-N	0	0	184.199	0.390	40	5		ACBBRN
Cc1cc([N+](=O)[O-])c(Cl)[n+]([O-])n1	334139179	538325211	/nfs/dbraw/zinc/32/52/11/538325211.db2.gz	WZLVIBKLNRUZIL-UHFFFAOYSA-N	0	0	190.566	0.799	40	5		ACBBRN
O=[N+]([O-])C[C@H](O)c1ccco1	55279	573481371	/nfs/dbraw/zinc/48/13/71/573481371.db2.gz	KWOKMZBSAZNOBW-YFKPBYRVSA-N	0	0	157.125	0.590	40	5		ACBBRN
O=[N+]([O-])c1n[nH]c2cnc(Cl)nc12	725239236	573730635	/nfs/dbraw/zinc/73/06/35/573730635.db2.gz	JTGQUJYYLIDIGW-UHFFFAOYSA-N	0	0	199.557	0.915	40	5		ACBBRN
Nc1c([N+](=O)[O-])cnn1CCF	1548918798	1170650510	/nfs/dbraw/zinc/65/05/10/1170650510.db2.gz	HTGFYXVKRDTELW-UHFFFAOYSA-N	0	0	174.135	0.343	40	5		ACBBRN
CCn1nc(N)cc1[N+](=O)[O-]	1548918586	1170650635	/nfs/dbraw/zinc/65/06/35/1170650635.db2.gz	ALRDYDOOKQJIFR-UHFFFAOYSA-N	0	0	156.145	0.393	40	5		ACBBRN
Nc1nn(CCF)cc1[N+](=O)[O-]	1548918728	1170650791	/nfs/dbraw/zinc/65/07/91/1170650791.db2.gz	FCSKTEKGVMBDFW-UHFFFAOYSA-N	0	0	174.135	0.343	40	5		ACBBRN
Nc1nn(CC(F)F)cc1[N+](=O)[O-]	1548918909	1170650831	/nfs/dbraw/zinc/65/08/31/1170650831.db2.gz	PCQCAQPZEYPQGJ-UHFFFAOYSA-N	0	0	192.125	0.639	40	5		ACBBRN
Nc1cn(C(F)F)nc1[N+](=O)[O-]	1548918902	1170651027	/nfs/dbraw/zinc/65/10/27/1170651027.db2.gz	NSSIBGQTTBIJIZ-UHFFFAOYSA-N	0	0	178.098	0.769	40	5		ACBBRN
CC(C)n1ncc(N)c1[N+](=O)[O-]	1548918612	1170651202	/nfs/dbraw/zinc/65/12/02/1170651202.db2.gz	BAPQYALSOIEJDX-UHFFFAOYSA-N	0	0	170.172	0.954	40	5		ACBBRN
CCCn1cc(N)c([N+](=O)[O-])n1	1548918726	1170651249	/nfs/dbraw/zinc/65/12/49/1170651249.db2.gz	DOWMKSRRZZMUDZ-UHFFFAOYSA-N	0	0	170.172	0.784	40	5		ACBBRN
CCn1nc([N+](=O)[O-])cc1N	1548918761	1170651292	/nfs/dbraw/zinc/65/12/92/1170651292.db2.gz	GVZSHZCAURNQEK-UHFFFAOYSA-N	0	0	156.145	0.393	40	5		ACBBRN
Nc1cn(CCF)nc1[N+](=O)[O-]	1548918730	1170651347	/nfs/dbraw/zinc/65/13/47/1170651347.db2.gz	FKAQXAQBZSDYIV-UHFFFAOYSA-N	0	0	174.135	0.343	40	5		ACBBRN
Cc1cn(CO)nc1[N+](=O)[O-]	1548918937	1170651385	/nfs/dbraw/zinc/65/13/85/1170651385.db2.gz	TXELSKUDCLJZNI-UHFFFAOYSA-N	0	0	157.129	0.050	40	5		ACBBRN
CCn1cc(N)c([N+](=O)[O-])n1	1548918821	1170651404	/nfs/dbraw/zinc/65/14/04/1170651404.db2.gz	ITXPACSQBVOHOD-UHFFFAOYSA-N	0	0	156.145	0.393	40	5		ACBBRN
CC(C)n1cc(N)c([N+](=O)[O-])n1	1548918979	1170651416	/nfs/dbraw/zinc/65/14/16/1170651416.db2.gz	ZXFFXAWYVGXFHV-UHFFFAOYSA-N	0	0	170.172	0.954	40	5		ACBBRN
CCn1ncc(N)c1[N+](=O)[O-]	1548918632	1170651573	/nfs/dbraw/zinc/65/15/73/1170651573.db2.gz	BFHISKDUHSLEOO-UHFFFAOYSA-N	0	0	156.145	0.393	40	5		ACBBRN
Nc1cn(CC(F)F)nc1[N+](=O)[O-]	1548918731	1170651736	/nfs/dbraw/zinc/65/17/36/1170651736.db2.gz	FNQDPUTZUJZRNM-UHFFFAOYSA-N	0	0	192.125	0.639	40	5		ACBBRN
CCn1cc([N+](=O)[O-])c(N)n1	1548918972	1170651807	/nfs/dbraw/zinc/65/18/07/1170651807.db2.gz	YVEVHIUSKQRBFB-UHFFFAOYSA-N	0	0	156.145	0.393	40	5		ACBBRN
CC(C)n1cc([N+](=O)[O-])c(N)n1	1548918732	1170651851	/nfs/dbraw/zinc/65/18/51/1170651851.db2.gz	FRNQAYBFQYMFHI-UHFFFAOYSA-N	0	0	170.172	0.954	40	5		ACBBRN
CCCn1cc([N+](=O)[O-])c(N)n1	1548918791	1170651970	/nfs/dbraw/zinc/65/19/70/1170651970.db2.gz	HLZGUYZINLPGDY-UHFFFAOYSA-N	0	0	170.172	0.784	40	5		ACBBRN
C[N+](C)(C)CC(O)CC(=O)[O-]	1560410210	1170661918	/nfs/dbraw/zinc/66/19/18/1170661918.db2.gz	LNRGCHIHZGBCNF-UHFFFAOYSA-O	0	0	161.201	0.072	40	5		ACBBRN
O=[N+]([O-])c1cn2c(n1)OCC(O)C2	1560405325	1170662724	/nfs/dbraw/zinc/66/27/24/1170662724.db2.gz	DVEUDEVEJBGHQE-UHFFFAOYSA-N	0	0	184.131	0.088	40	5		ACBBRN
COC(=O)CCCCC[N+](=O)[O-]	38220534	571837677	/nfs/dbraw/zinc/83/76/77/571837677.db2.gz	ZCGHLLAHRBMQLF-UHFFFAOYSA-N	0	0	175.184	0.997	40	5		ACBBRN
O=[N+]([O-])C[C@@H](O)c1ccco1	55278	573479084	/nfs/dbraw/zinc/47/90/84/573479084.db2.gz	KWOKMZBSAZNOBW-RXMQYKEDSA-N	0	0	157.125	0.590	40	5		ACBBRN
C=CC[N+](=O)[O-]	5157904	573828417	/nfs/dbraw/zinc/82/84/17/573828417.db2.gz	VLISOFDTMSFZPP-UHFFFAOYSA-N	0	0	87.078	0.449	40	5		ACBBRN
O=[N+]([O-])c1cc(O)ccc1CO	147816470	486956851	/nfs/dbraw/zinc/95/68/51/486956851.db2.gz	HNPPKJBKLPUPHI-UHFFFAOYSA-N	0	0	169.136	0.793	40	5		ACBBRN
Cc1cc2nc(N)nn2cc1[N+](=O)[O-]	757127182	582458319	/nfs/dbraw/zinc/45/83/19/582458319.db2.gz	CAVGHSCQWSDCJC-UHFFFAOYSA-N	0	0	193.166	0.528	40	5		ACBBRN
Cc1ccn2nc(N)nc2c1[N+](=O)[O-]	757132687	582459019	/nfs/dbraw/zinc/45/90/19/582459019.db2.gz	QPKHGWJNSCMKAW-UHFFFAOYSA-N	0	0	193.166	0.528	40	5		ACBBRN
Cc1cc([N+](=O)[O-])cn2nc(N)nc12	757133424	582459046	/nfs/dbraw/zinc/45/90/46/582459046.db2.gz	SAUYBXBOKRGXMI-UHFFFAOYSA-N	0	0	193.166	0.528	40	5		ACBBRN
Cc1ccc([N+](=O)[O-])c2nc(N)nn12	757133584	582459129	/nfs/dbraw/zinc/45/91/29/582459129.db2.gz	TTXFRXJOQUQMMR-UHFFFAOYSA-N	0	0	193.166	0.528	40	5		ACBBRN
Cc1n[n+]([O-])c(C)cc1[N+](=O)[O-]	1674209	582543317	/nfs/dbraw/zinc/54/33/17/582543317.db2.gz	HCBAEWMORMEHJX-UHFFFAOYSA-N	0	0	169.140	0.240	40	5		ACBBRN
COC(=O)Cc1cc([N+](=O)[O-])nn1C	260481524	582695826	/nfs/dbraw/zinc/69/58/26/582695826.db2.gz	PARABYXVZPIZKG-UHFFFAOYSA-N	0	0	199.166	0.044	40	5		ACBBRN
Cc1cc([N+](=O)[O-])c(Cl)n[n+]1[O-]	5724779	583471646	/nfs/dbraw/zinc/47/16/46/583471646.db2.gz	LRDSHXSUTUKSKQ-UHFFFAOYSA-N	0	0	189.558	0.585	40	5		ACBBRN
Nc1c([N+](=O)[O-])cnn1CC(F)F	306727570	1188800448	/nfs/dbraw/zinc/80/04/48/1188800448.db2.gz	MTKQNOKBKHISFW-UHFFFAOYSA-N	0	0	192.125	0.639	40	5		ACBBRN
Cc1c([N+](=O)[O-])nn(C)c1CO	408716820	133441776	/nfs/dbraw/zinc/44/17/76/133441776.db2.gz	RIRBREJZVWHREZ-UHFFFAOYSA-N	0	0	171.156	0.129	40	5		ACBBRN
CN(C)C(=C[N+](=O)[O-])N(C)C	1559146	342946968	/nfs/dbraw/zinc/94/69/68/342946968.db2.gz	NPBXKNONGNSTNV-UHFFFAOYSA-N	0	0	159.189	0.185	40	5		ACBBRN
CC[C@H]([C@@H](C)O)[N+](=O)[O-]	1759012	342964216	/nfs/dbraw/zinc/96/42/16/342964216.db2.gz	CHOTTWGZEKCPHA-RFZPGFLSSA-N	0	0	133.147	0.423	40	5	in-vitro	ACBBRN
Cc1ncc([N+](=O)[O-])n1CO	5594634	343005499	/nfs/dbraw/zinc/00/54/99/343005499.db2.gz	NQZKNNZTIQKFIJ-UHFFFAOYSA-N	0	0	157.129	0.050	40	5		ACBBRN
CNC(=O)Cc1ccccc1[N+](=O)[O-]	6625932	343015590	/nfs/dbraw/zinc/01/55/90/343015590.db2.gz	ONHWNARPSWLBLK-UHFFFAOYSA-N	0	0	194.190	0.883	40	5		ACBBRN
Cc1nc([N+](=O)[O-])cn1C[C@H]1CO1	13216701	343033700	/nfs/dbraw/zinc/03/37/00/343033700.db2.gz	TUHYOMJIXVHZLL-LURJTMIESA-N	0	0	183.167	0.499	40	5		ACBBRN
CN(C)/C=C\c1c([N+](=O)[O-])ncn1C	17175287	343046464	/nfs/dbraw/zinc/04/64/64/343046464.db2.gz	ZLHCZBNSWQQRRN-PLNGDYQASA-N	0	0	196.210	0.861	40	5		ACBBRN
C[C@H]([C@@H](O)c1ccncc1)[N+](=O)[O-]	15892382	343043294	/nfs/dbraw/zinc/04/32/94/343043294.db2.gz	YOUCQKLKZIYXHO-HTRCEHHLSA-N	0	0	182.179	0.780	40	5		ACBBRN
CC[C@@]1([N+](=O)[O-])COCN(C)C1	31925003	343094907	/nfs/dbraw/zinc/09/49/07/343094907.db2.gz	JPROQTRMOAUEGA-ZETCQYMHSA-N	0	0	174.200	0.331	40	5		ACBBRN
CC[C@]1([N+](=O)[O-])COCN(C)C1	31925005	343094942	/nfs/dbraw/zinc/09/49/42/343094942.db2.gz	JPROQTRMOAUEGA-SSDOTTSWSA-N	0	0	174.200	0.331	40	5		ACBBRN
Cc1ccn2ncnc2c1[N+](=O)[O-]	32914736	343103908	/nfs/dbraw/zinc/10/39/08/343103908.db2.gz	BIERYCGFWLIBRG-UHFFFAOYSA-N	0	0	178.151	0.946	40	5		ACBBRN
Cc1cc[nH]c(=NN)c1[N+](=O)[O-]	32914733	343103931	/nfs/dbraw/zinc/10/39/31/343103931.db2.gz	FEMCZZPXKCVKMX-UHFFFAOYSA-N	0	0	168.156	0.584	40	5		ACBBRN
O=[N+]([O-])c1cnc2ncnn2c1	39279452	343209827	/nfs/dbraw/zinc/20/98/27/343209827.db2.gz	OMTKLMWAALSLPG-UHFFFAOYSA-N	0	0	165.112	0.033	40	5		ACBBRN
Cc1cc(N)c([N+](=O)[O-])cn1	39377296	343211654	/nfs/dbraw/zinc/21/16/54/343211654.db2.gz	VZJFKMKJRWIRMF-UHFFFAOYSA-N	0	0	153.141	0.880	40	5		ACBBRN
CCn1ncc([N+](=O)[O-])c1N	43669751	343258771	/nfs/dbraw/zinc/25/87/71/343258771.db2.gz	FOTCILFOPHFUBL-UHFFFAOYSA-N	0	0	156.145	0.393	40	5		ACBBRN
Cc1nc([N+](=O)[O-])n[nH]1	59386650	343344526	/nfs/dbraw/zinc/34/45/26/343344526.db2.gz	AUKCNKCAXZBVAM-UHFFFAOYSA-N	0	0	128.091	0.021	40	5		ACBBRN
Cc1nnc2cc([N+](=O)[O-])ccn12	82046755	343595135	/nfs/dbraw/zinc/59/51/35/343595135.db2.gz	ARTGYMTUPCCBDI-UHFFFAOYSA-N	0	0	178.151	0.946	40	5		ACBBRN
C/C=C/C1OCC(C)([N+](=O)[O-])CO1	1599388	166061767	/nfs/dbraw/zinc/06/17/67/166061767.db2.gz	JFHKZCTVMDKBCY-ONEGZZNKSA-N	0	0	187.195	0.971	40	5		ACBBRN
C/C=C\C1OCC(C)([N+](=O)[O-])CO1	17161123	166068247	/nfs/dbraw/zinc/06/82/47/166068247.db2.gz	JFHKZCTVMDKBCY-ARJAWSKDSA-N	0	0	187.195	0.971	40	5		ACBBRN
C=CC(=O)OCC(C)(C)[N+](=O)[O-]	1597130	166160010	/nfs/dbraw/zinc/16/00/10/166160010.db2.gz	FDPPXZRLXIPXJB-UHFFFAOYSA-N	0	0	173.168	0.771	40	5		ACBBRN
C=C[N+](=O)[O-]	5194331	166222076	/nfs/dbraw/zinc/22/20/76/166222076.db2.gz	RPMXALUWKZHYOV-UHFFFAOYSA-N	0	0	73.051	0.407	40	5	in-vitro	ACBBRN
C=Cc1cnc([N+](=O)[O-])n1C	13282293	166224923	/nfs/dbraw/zinc/22/49/23/166224923.db2.gz	NZPWAZZKZMQLTL-UHFFFAOYSA-N	0	0	153.141	0.971	40	5		ACBBRN
C=Cn1cnc([N+](=O)[O-])c1	343411	166226384	/nfs/dbraw/zinc/22/63/84/166226384.db2.gz	YYHNAWBIRYBJMV-UHFFFAOYSA-N	0	0	139.114	0.892	40	5		ACBBRN
CC(=O)Cn1cnc([N+](=O)[O-])c1	49639	166249364	/nfs/dbraw/zinc/24/93/64/166249364.db2.gz	DOFAIZHQYXMCJM-UHFFFAOYSA-N	0	0	169.140	0.380	40	5		ACBBRN
CC(=O)NC1CCC([N+](=O)[O-])CC1	1711186	166269188	/nfs/dbraw/zinc/26/91/88/166269188.db2.gz	AHCMOQMMJWHPTN-UHFFFAOYSA-N	0	0	186.211	0.710	40	5		ACBBRN
CC(=O)Nc1cccnc1[N+](=O)[O-]	5283612	166285850	/nfs/dbraw/zinc/28/58/50/166285850.db2.gz	UWCIUYZGGALJBA-UHFFFAOYSA-N	0	0	181.151	0.948	40	5		ACBBRN
CC(=O)Nc1nnc([N+](=O)[O-])s1	5159474	166286490	/nfs/dbraw/zinc/28/64/90/166286490.db2.gz	HHORZXJXXHWDEV-UHFFFAOYSA-N	0	0	188.168	0.405	40	5		ACBBRN
CC(=O)Nc1ccn(C)c1[N+](=O)[O-]	5496757	166287010	/nfs/dbraw/zinc/28/70/10/166287010.db2.gz	IZCXXCWANZOKSJ-UHFFFAOYSA-N	0	0	183.167	0.892	40	5		ACBBRN
CC(=O)Nc1n[nH]cc1[N+](=O)[O-]	14983423	166287275	/nfs/dbraw/zinc/28/72/75/166287275.db2.gz	IIMPQAQKCPHLPN-UHFFFAOYSA-N	0	0	170.128	0.276	40	5		ACBBRN
CC(=O)Oc1cccnc1[N+](=O)[O-]	15858166	166295026	/nfs/dbraw/zinc/29/50/26/166295026.db2.gz	SEIJLONYISLZRD-UHFFFAOYSA-N	0	0	182.135	0.915	40	5		ACBBRN
CC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	26506952	166318524	/nfs/dbraw/zinc/31/85/24/166318524.db2.gz	TWHBILSYMVFECO-UHFFFAOYSA-N	0	0	182.135	0.486	40	5		ACBBRN
CC(=O)c1cc([N+](=O)[O-])n(C)n1	82401651	166322797	/nfs/dbraw/zinc/32/27/97/166322797.db2.gz	KDWDARZONWOBGQ-UHFFFAOYSA-N	0	0	169.140	0.531	40	5		ACBBRN
CC(=O)c1cnc([N+](=O)[O-])n1C	140008243	166333809	/nfs/dbraw/zinc/33/38/09/166333809.db2.gz	CYCZTKORVZMFEY-UHFFFAOYSA-N	0	0	169.140	0.531	40	5		ACBBRN
CC(Br)([N+](=O)[O-])[N+](=O)[O-]	19318857	166337698	/nfs/dbraw/zinc/33/76/98/166337698.db2.gz	OQEQLVCWFCJMAT-UHFFFAOYSA-N	0	0	198.960	0.608	40	5		ACBBRN
CC(C)(CC[C@@H]([NH3+])C(=O)[O-])[N+](=O)[O-]	85388993	166394122	/nfs/dbraw/zinc/39/41/22/166394122.db2.gz	BTGIJSHLYWALDE-RXMQYKEDSA-N	0	0	190.199	0.234	40	5		ACBBRN
CC(C)(CC[C@H]([NH3+])C(=O)[O-])[N+](=O)[O-]	85388987	166394133	/nfs/dbraw/zinc/39/41/33/166394133.db2.gz	BTGIJSHLYWALDE-YFKPBYRVSA-N	0	0	190.199	0.234	40	5		ACBBRN
CC(C)([C@H]1COC(=O)C1)[N+](=O)[O-]	22063445	166411494	/nfs/dbraw/zinc/41/14/94/166411494.db2.gz	RYCYEHGQUZLVQW-RXMQYKEDSA-N	0	0	173.168	0.605	40	5	in-vitro	ACBBRN
CC(C)n1cc([N+](=O)[O-])nn1	5414257	166651447	/nfs/dbraw/zinc/65/14/47/166651447.db2.gz	AMNPCYBEXDHBTG-UHFFFAOYSA-N	0	0	156.145	0.767	40	5		ACBBRN
CC(CCCO)([N+](=O)[O-])[N+](=O)[O-]	19319072	166653484	/nfs/dbraw/zinc/65/34/84/166653484.db2.gz	METLXGOPKJBXJA-UHFFFAOYSA-N	0	0	178.144	0.029	40	5		ACBBRN
CC1(C)CCC(=O)O[C@H]1C[N+](=O)[O-]	5460153	166670642	/nfs/dbraw/zinc/67/06/42/166670642.db2.gz	GCSFGAHTEKGJPP-LURJTMIESA-N	0	0	187.195	0.995	40	5		ACBBRN
CCC(C)([N+](=O)[O-])[N+](=O)[O-]	19319613	166785616	/nfs/dbraw/zinc/78/56/16/166785616.db2.gz	AAMYJZIYVKBOLY-UHFFFAOYSA-N	0	0	148.118	0.666	40	5		ACBBRN
CCCCn1cc([N+](=O)[O-])nn1	5421740	166935173	/nfs/dbraw/zinc/93/51/73/166935173.db2.gz	YMLMNQMXILIYIR-UHFFFAOYSA-N	0	0	170.172	0.986	40	5		ACBBRN
CCC[C@@H](O)[C@H](C)[N+](=O)[O-]	1759023	167049580	/nfs/dbraw/zinc/04/95/80/167049580.db2.gz	PCFLNKSZNBPQOP-NTSWFWBYSA-N	0	0	147.174	0.813	40	5		ACBBRN
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CCOC(=O)c1c[nH]nc1[N+](=O)[O-]	95836845	167370325	/nfs/dbraw/zinc/37/03/25/167370325.db2.gz	INQPWGDFSJUNRC-UHFFFAOYSA-N	0	0	185.139	0.495	40	5		ACBBRN
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CCOCCn1cc([N+](=O)[O-])cn1	67796667	167395030	/nfs/dbraw/zinc/39/50/30/167395030.db2.gz	OBKDSOFHXAISOY-UHFFFAOYSA-N	0	0	185.183	0.828	40	5		ACBBRN
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CCc1cc([N+](=O)[O-])cc[n+]1[O-]	2023833	167730592	/nfs/dbraw/zinc/73/05/92/167730592.db2.gz	KKALKJBYTZOONQ-UHFFFAOYSA-N	0	0	168.152	0.791	40	5		ACBBRN
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CNC(=O)c1ccnc([N+](=O)[O-])c1	59881400	167976946	/nfs/dbraw/zinc/97/69/46/167976946.db2.gz	GQFJJDBIUXZMLA-UHFFFAOYSA-N	0	0	181.151	0.349	40	5		ACBBRN
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CNc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	19537576	168072363	/nfs/dbraw/zinc/07/23/63/168072363.db2.gz	YWRUAYGJVVNKFK-UHFFFAOYSA-N	0	0	198.138	0.940	40	5		ACBBRN
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CNc1ncnc(N)c1[N+](=O)[O-]	5329113	168074345	/nfs/dbraw/zinc/07/43/45/168074345.db2.gz	GEMCWVNKCZNIML-UHFFFAOYSA-N	0	0	169.144	0.009	40	5		ACBBRN
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COC(=O)CC[C@H](C)[N+](=O)[O-]	1602661	168089747	/nfs/dbraw/zinc/08/97/47/168089747.db2.gz	GFUOCUCQTCSCPS-YFKPBYRVSA-N	0	0	161.157	0.605	40	5		ACBBRN
COC(=O)Cc1ccncc1[N+](=O)[O-]	34565998	168099068	/nfs/dbraw/zinc/09/90/68/168099068.db2.gz	CQBDWWXDFBHXRE-UHFFFAOYSA-N	0	0	196.162	0.705	40	5		ACBBRN
COC(=O)[C@@H](C)C[C@H](C)[N+](=O)[O-]	238334154	168105004	/nfs/dbraw/zinc/10/50/04/168105004.db2.gz	QFPCURVNOXZULQ-WDSKDSINSA-N	0	0	175.184	0.851	40	5		ACBBRN
COC(=O)[C@@H](C)C[C@@H](C)[N+](=O)[O-]	238333852	168106258	/nfs/dbraw/zinc/10/62/58/168106258.db2.gz	QFPCURVNOXZULQ-NTSWFWBYSA-N	0	0	175.184	0.851	40	5		ACBBRN
COC(=O)[C@H](C)C[C@H](C)[N+](=O)[O-]	238798710	168116447	/nfs/dbraw/zinc/11/64/47/168116447.db2.gz	QFPCURVNOXZULQ-RITPCOANSA-N	0	0	175.184	0.851	40	5		ACBBRN
COC(=O)[C@H](C)C[C@@H](C)[N+](=O)[O-]	238798692	168117134	/nfs/dbraw/zinc/11/71/34/168117134.db2.gz	QFPCURVNOXZULQ-PHDIDXHHSA-N	0	0	175.184	0.851	40	5		ACBBRN
COC(=O)c1c[n+]([O-])ccc1[N+](=O)[O-]	3844330	168126900	/nfs/dbraw/zinc/12/69/00/168126900.db2.gz	RODFPKVAEMKPQA-UHFFFAOYSA-N	0	0	198.134	0.015	40	5		ACBBRN
COC(=O)c1c[nH]cc1[N+](=O)[O-]	71789961	168127145	/nfs/dbraw/zinc/12/71/45/168127145.db2.gz	HCJRSSAIKRAHHA-UHFFFAOYSA-N	0	0	170.124	0.710	40	5		ACBBRN
COC(=O)c1cc([N+](=O)[O-])ccn1	5355360	168130280	/nfs/dbraw/zinc/13/02/80/168130280.db2.gz	CPBOTXGXHPDXBZ-UHFFFAOYSA-N	0	0	182.135	0.776	40	5	in-vitro	ACBBRN
COC(=O)c1cc([N+](=O)[O-])cc[n+]1[O-]	2023777	168130428	/nfs/dbraw/zinc/13/04/28/168130428.db2.gz	FWXJLEXAELCZOA-UHFFFAOYSA-N	0	0	198.134	0.015	40	5		ACBBRN
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COC(=O)c1cccc(N)c1[N+](=O)[O-]	238403389	168134971	/nfs/dbraw/zinc/13/49/71/168134971.db2.gz	BVWSKJRBYYNACC-UHFFFAOYSA-N	0	0	196.162	0.964	40	5		ACBBRN
COC(=O)c1nn(C)c(C)c1[N+](=O)[O-]	34076466	168138263	/nfs/dbraw/zinc/13/82/63/168138263.db2.gz	UWYHUVDYRMHKKE-UHFFFAOYSA-N	0	0	199.166	0.423	40	5		ACBBRN
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COc1cc([N+](=O)[O-])ccn1	82046701	168240821	/nfs/dbraw/zinc/24/08/21/168240821.db2.gz	MBCQTLLPQFAGAD-UHFFFAOYSA-N	0	0	154.125	0.998	40	5		ACBBRN
COc1cc([N+](=O)[O-])cc(CO)c1O	34772797	168241692	/nfs/dbraw/zinc/24/16/92/168241692.db2.gz	JXNDMWLXUVNLHJ-UHFFFAOYSA-N	0	0	199.162	0.801	40	5		ACBBRN
COc1cc[n+]([O-])cc1[N+](=O)[O-]	1673495	168242080	/nfs/dbraw/zinc/24/20/80/168242080.db2.gz	MDFMJGHUONYXSE-UHFFFAOYSA-N	0	0	170.124	0.237	40	5		ACBBRN
COc1ccc(N)c([N+](=O)[O-])n1	39390036	168254596	/nfs/dbraw/zinc/25/45/96/168254596.db2.gz	UPJBCGDOOHYSGL-UHFFFAOYSA-N	0	0	169.140	0.581	40	5		ACBBRN
COc1ccc([N+](=O)[O-])c[n+]1[O-]	2381158	168260262	/nfs/dbraw/zinc/26/02/62/168260262.db2.gz	RGAKCIBYQOYHDR-UHFFFAOYSA-N	0	0	170.124	0.237	40	5		ACBBRN
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COc1ccc([N+](=O)[O-])cc1NN	37291002	168260491	/nfs/dbraw/zinc/26/04/91/168260491.db2.gz	XFOCEFZEOJNKNV-UHFFFAOYSA-N	0	0	183.167	0.889	40	5		ACBBRN
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COc1cnn(C)c1[N+](=O)[O-]	196337195	168281859	/nfs/dbraw/zinc/28/18/59/168281859.db2.gz	SUIRYQAMUGFFMB-UHFFFAOYSA-N	0	0	157.129	0.337	40	5		ACBBRN
COc1cncc([N+](=O)[O-])c1	34439128	168282147	/nfs/dbraw/zinc/28/21/47/168282147.db2.gz	GOAONOKEEWITAN-UHFFFAOYSA-N	0	0	154.125	0.998	40	5		ACBBRN
COc1nc(N)ccc1[N+](=O)[O-]	39194198	168283997	/nfs/dbraw/zinc/28/39/97/168283997.db2.gz	ZLYBIYNRKMFNSF-UHFFFAOYSA-N	0	0	169.140	0.581	40	5		ACBBRN
COc1nc(OC)c([N+](=O)[O-])cc1N	95635208	168284135	/nfs/dbraw/zinc/28/41/35/168284135.db2.gz	MLSMQSUIHTZHEF-UHFFFAOYSA-N	0	0	199.166	0.589	40	5	in-vitro	ACBBRN
COc1nccc(C=O)c1[N+](=O)[O-]	26892359	168288398	/nfs/dbraw/zinc/28/83/98/168288398.db2.gz	ATPIZGMDDYXDKM-UHFFFAOYSA-N	0	0	182.135	0.811	40	5		ACBBRN
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CSc1nc([N+](=O)[O-])n[nH]1	38363010	168314723	/nfs/dbraw/zinc/31/47/23/168314723.db2.gz	YVQJMNDBDQKLKA-UHFFFAOYSA-N	0	0	160.158	0.435	40	5		ACBBRN
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C[C@@H](O)C(C)(C)[N+](=O)[O-]	1759017	168386964	/nfs/dbraw/zinc/38/69/64/168386964.db2.gz	MVFMATZFWFEEKJ-SCSAIBSYSA-N	0	0	133.147	0.423	40	5		ACBBRN
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C[C@H](O)CC[C@H](C)[N+](=O)[O-]	1715587	168576603	/nfs/dbraw/zinc/57/66/03/168576603.db2.gz	OQOFJKJLWUZWHF-WDSKDSINSA-N	0	0	147.174	0.813	40	5		ACBBRN
C[C@H]([C@@H](O)c1cccnc1)[N+](=O)[O-]	13161947	168589599	/nfs/dbraw/zinc/58/95/99/168589599.db2.gz	LTETZIXTJNPCAD-HTRCEHHLSA-N	0	0	182.179	0.780	40	5		ACBBRN
Cc1c(Cl)c([N+](=O)[O-])nn1N	95098631	168711345	/nfs/dbraw/zinc/71/13/45/168711345.db2.gz	QKFZYHFYSGTKFN-UHFFFAOYSA-N	0	0	176.563	0.467	40	5		ACBBRN
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Cc1ccc([N+](=O)[O-])c[n+]1[O-]	35567230	168845578	/nfs/dbraw/zinc/84/55/78/168845578.db2.gz	GNHIKYLESVCDNF-UHFFFAOYSA-N	0	0	154.125	0.537	40	5		ACBBRN
Cc1cccc(CNN)c1[N+](=O)[O-]	83328544	168866121	/nfs/dbraw/zinc/86/61/21/168866121.db2.gz	UBHDAFVHYGKVMU-UHFFFAOYSA-N	0	0	181.195	0.867	40	5		ACBBRN
Cc1nc([N+](=O)[O-])cn1C[C@@H]1CO1	5386898	168952757	/nfs/dbraw/zinc/95/27/57/168952757.db2.gz	TUHYOMJIXVHZLL-ZCFIWIBFSA-N	0	0	183.167	0.499	40	5		ACBBRN
Cc1ncc([N+](=O)[O-])n1C[C@@H]1CO1	5425143	168968706	/nfs/dbraw/zinc/96/87/06/168968706.db2.gz	NLXRQOREXATYEE-ZCFIWIBFSA-N	0	0	183.167	0.499	40	5	in-vitro	ACBBRN
Cn1c(C(C)(C)O)cnc1[N+](=O)[O-]	13282234	169030427	/nfs/dbraw/zinc/03/04/27/169030427.db2.gz	WLOXDXOPKNBBFP-UHFFFAOYSA-N	0	0	185.183	0.556	40	5		ACBBRN
Cn1cc([N+](=O)[O-])c([N+](=O)[O-])c1	5664633	169043118	/nfs/dbraw/zinc/04/31/18/169043118.db2.gz	WAQOUFIPROQCAM-UHFFFAOYSA-N	0	0	171.112	0.842	40	5		ACBBRN
Cn1cc([N+](=O)[O-])c(NC2CC2)n1	95098555	169043281	/nfs/dbraw/zinc/04/32/81/169043281.db2.gz	DUNSELBFOQMWJX-UHFFFAOYSA-N	0	0	182.183	0.903	40	5		ACBBRN
Cn1ccc(Cl)c([N+](=O)[O-])c1=O	95098117	169046829	/nfs/dbraw/zinc/04/68/29/169046829.db2.gz	SOZKCGXAVVUKIT-UHFFFAOYSA-N	0	0	188.570	0.947	40	5		ACBBRN
CN1CN=C([N+](=O)[O-])C1=S	1670430	169055589	/nfs/dbraw/zinc/05/55/89/169055589.db2.gz	DPGGDVPPQMXEOF-UHFFFAOYSA-N	0	0	159.170	0.617	40	5		ACBBRN
Cn1cnc2c(=O)[nH]cc([N+](=O)[O-])c21	13523239	169056076	/nfs/dbraw/zinc/05/60/76/169056076.db2.gz	MGXQJVSCAREJSS-UHFFFAOYSA-N	0	0	194.150	0.170	40	5		ACBBRN
Cn1nc(C2CC2)c([N+](=O)[O-])c1N	96527800	169060918	/nfs/dbraw/zinc/06/09/18/169060918.db2.gz	LVECGSRCGXKCEI-UHFFFAOYSA-N	0	0	182.183	0.788	40	5		ACBBRN
Cn1nc(C=O)cc1[N+](=O)[O-]	72209629	169061418	/nfs/dbraw/zinc/06/14/18/169061418.db2.gz	VMDKGQRZXOPUBB-UHFFFAOYSA-N	0	0	155.113	0.141	40	5		ACBBRN
Cn1nc(Cl)nc1[N+](=O)[O-]	95116211	169061855	/nfs/dbraw/zinc/06/18/55/169061855.db2.gz	ZKKODRKHUULTLT-UHFFFAOYSA-N	0	0	162.536	0.377	40	5		ACBBRN
Cn1nc([N+](=O)[O-])c2c(=O)cc[nH]c21	3852590	169062492	/nfs/dbraw/zinc/06/24/92/169062492.db2.gz	FMADPHQOFCYKJR-UHFFFAOYSA-N	0	0	194.150	0.170	40	5		ACBBRN
Cn1nc2cccc([N+](=O)[O-])c2n1	2532334	169063293	/nfs/dbraw/zinc/06/32/93/169063293.db2.gz	AWOYQNJIIUFYFX-UHFFFAOYSA-N	0	0	178.151	0.877	40	5		ACBBRN
Cn1ncc2cc([N+](=O)[O-])cnc21	82046595	169064433	/nfs/dbraw/zinc/06/44/33/169064433.db2.gz	PUFQBMIGLAWOCA-UHFFFAOYSA-N	0	0	178.151	0.877	40	5		ACBBRN
N#CNC(=O)c1cccc([N+](=O)[O-])c1	1708214	169105621	/nfs/dbraw/zinc/10/56/21/169105621.db2.gz	MYCNVQZKNIYPEH-UHFFFAOYSA-N	0	0	191.146	0.806	40	5		ACBBRN
N#CNC(=O)c1ccc([N+](=O)[O-])cc1	5028392	169106480	/nfs/dbraw/zinc/10/64/80/169106480.db2.gz	POFXLVUXMZFIFR-UHFFFAOYSA-N	0	0	191.146	0.806	40	5		ACBBRN
NC(N)N=Nc1ccc([N+](=O)[O-])cc1	4777502	169139227	/nfs/dbraw/zinc/13/92/27/169139227.db2.gz	NSVGMHPGXSJWGX-UHFFFAOYSA-N	0	0	195.182	0.405	40	5		ACBBRN
N=C(N)c1ccc([N+](=O)[O-])o1	26898082	169141333	/nfs/dbraw/zinc/14/13/33/169141333.db2.gz	KWKCQUKDPDARNH-UHFFFAOYSA-N	0	0	155.113	0.472	40	5		ACBBRN
NC(=[NH2+])c1ccc([N+](=O)[O-])[n-]1	45802950	169141340	/nfs/dbraw/zinc/14/13/40/169141340.db2.gz	VGELJFPFUDBVGN-UHFFFAOYSA-N	0	0	154.129	0.207	40	5		ACBBRN
N=NC(N)Nc1ccccc1[N+](=O)[O-]	238653597	169143573	/nfs/dbraw/zinc/14/35/73/169143573.db2.gz	IWWSSYNWOPMXGB-UHFFFAOYSA-N	0	0	195.182	0.405	40	5		ACBBRN
NC(=O)CNc1ccc([N+](=O)[O-])cc1	21792678	169153307	/nfs/dbraw/zinc/15/33/07/169153307.db2.gz	XFOWJFRPLPOQTR-UHFFFAOYSA-N	0	0	195.178	0.492	40	5		ACBBRN
NC(=O)Cc1cccc([N+](=O)[O-])c1	38338658	169155181	/nfs/dbraw/zinc/15/51/81/169155181.db2.gz	ATDMUOUARWAVEW-UHFFFAOYSA-N	0	0	180.163	0.623	40	5		ACBBRN
NC(=O)Cc1ccc([N+](=O)[O-])cc1	1664892	169155211	/nfs/dbraw/zinc/15/52/11/169155211.db2.gz	MQNBMOUEKNYZII-UHFFFAOYSA-N	0	0	180.163	0.623	40	5		ACBBRN
NCC(=O)c1ccccc1[N+](=O)[O-]	88330333	169177467	/nfs/dbraw/zinc/17/74/67/169177467.db2.gz	XRXIPRFKMDVCMB-UHFFFAOYSA-N	0	0	180.163	0.736	40	5		ACBBRN
[NH3+]C[C@@H](O)c1ccccc1[N+](=O)[O-]	8699500	169205532	/nfs/dbraw/zinc/20/55/32/169205532.db2.gz	ZKPFBDIOVMBUEO-MRVPVSSYSA-N	0	0	182.179	0.587	40	5		ACBBRN
[NH3+]Cc1ccc(C(=O)[O-])cc1[N+](=O)[O-]	38847235	169222045	/nfs/dbraw/zinc/22/20/45/169222045.db2.gz	KRTYNVCBQRWNMK-UHFFFAOYSA-N	0	0	196.162	0.752	40	5		ACBBRN
NNCc1ccc([N+](=O)[O-])o1	104570006	169237013	/nfs/dbraw/zinc/23/70/13/169237013.db2.gz	RFANBQHFZWDVRG-UHFFFAOYSA-N	0	0	157.129	0.151	40	5		ACBBRN
NNCc1cccc([N+](=O)[O-])c1	19387629	169237060	/nfs/dbraw/zinc/23/70/60/169237060.db2.gz	UVLKAHYGKLRXON-UHFFFAOYSA-N	0	0	167.168	0.558	40	5		ACBBRN
NNc1c(O)cccc1[N+](=O)[O-]	104571313	169237891	/nfs/dbraw/zinc/23/78/91/169237891.db2.gz	MHYJCKNRFISDHU-UHFFFAOYSA-N	0	0	169.140	0.586	40	5		ACBBRN
NNc1nc(Cl)ccc1[N+](=O)[O-]	104570075	169238228	/nfs/dbraw/zinc/23/82/28/169238228.db2.gz	BHCFHUGDMSLUHL-UHFFFAOYSA-N	0	0	188.574	0.929	40	5		ACBBRN
NNc1ccc([N+](=O)[O-])nc1	19868637	169238567	/nfs/dbraw/zinc/23/85/67/169238567.db2.gz	YXEUZOSLCIDYLU-UHFFFAOYSA-N	0	0	154.129	0.275	40	5		ACBBRN
NNc1ncc([N+](=O)[O-])cc1Cl	14982392	169238757	/nfs/dbraw/zinc/23/87/57/169238757.db2.gz	USEBWVKUINGOSE-UHFFFAOYSA-N	0	0	188.574	0.929	40	5		ACBBRN
NNc1ncc([N+](=O)[O-])c2nc[nH]c12	6397284	169238898	/nfs/dbraw/zinc/23/88/98/169238898.db2.gz	KLRYRSGZEWPPKU-UHFFFAOYSA-N	0	0	194.154	0.152	40	5		ACBBRN
NOCc1cccc([N+](=O)[O-])c1	1710623	169239914	/nfs/dbraw/zinc/23/99/14/169239914.db2.gz	JTKYPOYHPKGJGX-UHFFFAOYSA-N	0	0	168.152	0.985	40	5		ACBBRN
[NH3+][C@@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	4204141	169242299	/nfs/dbraw/zinc/24/22/99/169242299.db2.gz	XCVDAQWKJUCVHJ-SSDOTTSWSA-N	0	0	196.162	0.679	40	5		ACBBRN
[NH3+][C@H](C(=O)[O-])c1ccc([N+](=O)[O-])cc1	4202368	169262784	/nfs/dbraw/zinc/26/27/84/169262784.db2.gz	XCVDAQWKJUCVHJ-ZETCQYMHSA-N	0	0	196.162	0.679	40	5		ACBBRN
Nc1c(F)cncc1[N+](=O)[O-]	71256151	169282807	/nfs/dbraw/zinc/28/28/07/169282807.db2.gz	RTGYLZOXETXUMR-UHFFFAOYSA-N	0	0	157.104	0.711	40	5		ACBBRN
Nc1cc(=O)c([N+](=O)[O-])c[nH]1	71256974	169286962	/nfs/dbraw/zinc/28/69/62/169286962.db2.gz	FGSHRLHSWVOYFE-UHFFFAOYSA-N	0	0	155.113	0.278	40	5		ACBBRN
Nc1cc(N)c([N+](=O)[O-])cc1N	4707050	169287948	/nfs/dbraw/zinc/28/79/48/169287948.db2.gz	YPQHXZUZJLGKGK-UHFFFAOYSA-N	0	0	168.156	0.341	40	5		ACBBRN
Nc1cc(F)ncc1[N+](=O)[O-]	71255939	169288140	/nfs/dbraw/zinc/28/81/40/169288140.db2.gz	FGPVZEUFTSCVGQ-UHFFFAOYSA-N	0	0	157.104	0.711	40	5		ACBBRN
Nc1cc([N+](=O)[O-])cc(N)c1N	36382727	169288595	/nfs/dbraw/zinc/28/85/95/169288595.db2.gz	OZSIKJOACCRFCP-UHFFFAOYSA-N	0	0	168.156	0.341	40	5		ACBBRN
Nc1ccc([N+](=O)[O-])c(NCCO)c1	34292193	169293773	/nfs/dbraw/zinc/29/37/73/169293773.db2.gz	IJCVQZXEBJWLBY-UHFFFAOYSA-N	0	0	197.194	0.581	40	5		ACBBRN
Nc1ccc([N+](=O)[O-])c(N)c1[N+](=O)[O-]	14982564	169293800	/nfs/dbraw/zinc/29/38/00/169293800.db2.gz	XLAYMSZDBFRXOO-UHFFFAOYSA-N	0	0	198.138	0.667	40	5		ACBBRN
Nc1ccc([N+](=O)[O-])c(F)n1	71256955	169294094	/nfs/dbraw/zinc/29/40/94/169294094.db2.gz	LPCNNPNGGZJATB-UHFFFAOYSA-N	0	0	157.104	0.711	40	5		ACBBRN
Nc1ccc([N+](=O)[O-])nc1N	59999213	169294143	/nfs/dbraw/zinc/29/41/43/169294143.db2.gz	OESYDURQGNTTMM-UHFFFAOYSA-N	0	0	154.129	0.154	40	5		ACBBRN
Nc1ccnc(F)c1[N+](=O)[O-]	71255941	169299582	/nfs/dbraw/zinc/29/95/82/169299582.db2.gz	HAYDBFSOQJXPLM-UHFFFAOYSA-N	0	0	157.104	0.711	40	5		ACBBRN
Nc1ccn2c([N+](=O)[O-])cnc2c1	66346739	169299766	/nfs/dbraw/zinc/29/97/66/169299766.db2.gz	RKGAQLODFXRPLO-UHFFFAOYSA-N	0	0	178.151	0.825	40	5		ACBBRN
Nc1nc(F)ccc1[N+](=O)[O-]	71256083	169305954	/nfs/dbraw/zinc/30/59/54/169305954.db2.gz	RYQIGJVUEBKTLL-UHFFFAOYSA-N	0	0	157.104	0.711	40	5		ACBBRN
Nc1nc2c([N+](=O)[O-])cccn2n1	82729119	169306758	/nfs/dbraw/zinc/30/67/58/169306758.db2.gz	XEMZLUHPWWOBHU-UHFFFAOYSA-N	0	0	179.139	0.220	40	5		ACBBRN
Nc1[nH]ccc(=O)c1[N+](=O)[O-]	71256973	169308935	/nfs/dbraw/zinc/30/89/35/169308935.db2.gz	JDZDUOMAESTAMI-UHFFFAOYSA-N	0	0	155.113	0.278	40	5		ACBBRN
Nc1ncc([N+](=O)[O-])cc1F	71255991	169309164	/nfs/dbraw/zinc/30/91/64/169309164.db2.gz	JNXCHTUWHWOKPL-UHFFFAOYSA-N	0	0	157.104	0.711	40	5		ACBBRN
Nc1ncc([N+](=O)[O-])c(Cl)n1	5438590	169309236	/nfs/dbraw/zinc/30/92/36/169309236.db2.gz	ZCIUAKDSNQXBGM-UHFFFAOYSA-N	0	0	174.547	0.620	40	5		ACBBRN
O=C(NCC[N+](=O)[O-])c1ccccc1	1723853	169329383	/nfs/dbraw/zinc/32/93/83/169329383.db2.gz	MWPNOPHRLQPTBB-UHFFFAOYSA-N	0	0	194.190	0.693	40	5		ACBBRN
O=C1CCC(O)(C[N+](=O)[O-])CC1	44713461	169369462	/nfs/dbraw/zinc/36/94/62/169369462.db2.gz	XGETZEUSOSEUDY-UHFFFAOYSA-N	0	0	173.168	0.137	40	5		ACBBRN
O=C1CCCC[C@@]1(O)C[N+](=O)[O-]	1723081	169371117	/nfs/dbraw/zinc/37/11/17/169371117.db2.gz	NNWRIIBCOGTGKY-SSDOTTSWSA-N	0	0	173.168	0.137	40	5		ACBBRN
O=C1CCCC[C@]1(O)C[N+](=O)[O-]	4983910	169372140	/nfs/dbraw/zinc/37/21/40/169372140.db2.gz	NNWRIIBCOGTGKY-ZETCQYMHSA-N	0	0	173.168	0.137	40	5		ACBBRN
O=C1CNc2ccc([N+](=O)[O-])cc2N1	95635145	169378602	/nfs/dbraw/zinc/37/86/02/169378602.db2.gz	MLRCQCJQHUFFBS-UHFFFAOYSA-N	0	0	193.162	0.959	40	5	in-vitro	ACBBRN
O=C1N=NC([N+](=O)[O-])=N1	5187427	169384438	/nfs/dbraw/zinc/38/44/38/169384438.db2.gz	NVKJOXRVEKMMHS-UHFFFAOYSA-N	0	0	128.047	0.205	40	5		ACBBRN
O=C1NCCc2c1cccc2[N+](=O)[O-]	34076252	169387026	/nfs/dbraw/zinc/38/70/26/169387026.db2.gz	MRDYSQWSGPVVBJ-UHFFFAOYSA-N	0	0	192.174	0.881	40	5		ACBBRN
O=C1Nc2cc([N+](=O)[O-])ccc2C1=O	1693815	169389124	/nfs/dbraw/zinc/38/91/24/169389124.db2.gz	FQMOARKYYKXWRB-UHFFFAOYSA-N	0	0	192.130	0.730	40	5		ACBBRN
O=CC(=O)c1cccc([N+](=O)[O-])c1	1562450	169394862	/nfs/dbraw/zinc/39/48/62/169394862.db2.gz	PPDGMLLCCLUIKZ-UHFFFAOYSA-N	0	0	179.131	0.976	40	5		ACBBRN
O=CNc1cccnc1[N+](=O)[O-]	98175284	169399523	/nfs/dbraw/zinc/39/95/23/169399523.db2.gz	NQWLOINFSUNPLW-UHFFFAOYSA-N	0	0	167.124	0.558	40	5		ACBBRN
O=CNc1cc([N+](=O)[O-])ccc1[O-]	35939895	169399795	/nfs/dbraw/zinc/39/97/95/169399795.db2.gz	DBNAERXDKYYDSJ-UHFFFAOYSA-N	0	0	182.135	0.869	40	5		ACBBRN
O=Cc1cc([N+](=O)[O-])no1	1618618	169403328	/nfs/dbraw/zinc/40/33/28/169403328.db2.gz	QBOPICQGFGIYPY-UHFFFAOYSA-N	0	0	142.070	0.395	40	5		ACBBRN
O=[N+]([O-])[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1[N+](=O)[O-]	18010608	169412852	/nfs/dbraw/zinc/41/28/52/169412852.db2.gz	ROXMTCRYPJFRAE-RNGGSSJXSA-N	0	0	186.167	0.707	40	5		ACBBRN
O=[N+]([O-])[C@@H]1CCCC[C@H]1O	1715623	169412932	/nfs/dbraw/zinc/41/29/32/169412932.db2.gz	HCANSMXQRLLYOH-PHDIDXHHSA-N	0	0	145.158	0.567	40	5		ACBBRN
O=[N+]([O-])[C@H]1[C@H]2CC[C@H](C2)[C@H]1[N+](=O)[O-]	18007737	169412939	/nfs/dbraw/zinc/41/29/39/169412939.db2.gz	ROXMTCRYPJFRAE-UMRXKNAASA-N	0	0	186.167	0.707	40	5		ACBBRN
O=[N+]([O-])c1ccc2c(CO)[nH]nc2c1	42689507	169413438	/nfs/dbraw/zinc/41/34/38/169413438.db2.gz	IBUYUAQQNOCNJJ-UHFFFAOYSA-N	0	0	193.162	0.963	40	5	in-vitro	ACBBRN
O=[N+]([O-])c1cc[n+]([O-])cc1NC1CC1	95097349	169413746	/nfs/dbraw/zinc/41/37/46/169413746.db2.gz	KYCQIEINNDOQRE-UHFFFAOYSA-N	0	0	195.178	0.803	40	5		ACBBRN
O=[N+]([O-])c1ccn(C[C@H]2CCCO2)n1	67796689	169413849	/nfs/dbraw/zinc/41/38/49/169413849.db2.gz	SMZUCBGIUVTXMW-SSDOTTSWSA-N	0	0	197.194	0.970	40	5		ACBBRN
O=[N+]([O-])c1ccc2nnnn2c1	1597526	169413854	/nfs/dbraw/zinc/41/38/54/169413854.db2.gz	FVSDBFPXGMEACC-UHFFFAOYSA-N	0	0	165.112	0.033	40	5		ACBBRN
O=[N+]([O-])c1ccnc2c1CCN2	97758417	169413962	/nfs/dbraw/zinc/41/39/62/169413962.db2.gz	WEOWYFANMLCLTI-UHFFFAOYSA-N	0	0	165.152	0.958	40	5		ACBBRN
O=[N+]([O-])c1cccnc1[N+](=O)[O-]	14982759	169414032	/nfs/dbraw/zinc/41/40/32/169414032.db2.gz	RUPDGJAVWKTTJW-UHFFFAOYSA-N	0	0	169.096	0.898	40	5		ACBBRN
O=[N+]([O-])c1cccc2c1nnn2CO	344892	169414206	/nfs/dbraw/zinc/41/42/06/169414206.db2.gz	GTVGLANCQBDDME-UHFFFAOYSA-N	0	0	194.150	0.289	40	5		ACBBRN
O=[N+]([O-])c1cnc(F)nc1	32218477	169414737	/nfs/dbraw/zinc/41/47/37/169414737.db2.gz	WCDBZXCLAVZHBQ-UHFFFAOYSA-N	0	0	143.077	0.524	40	5		ACBBRN
O=[N+]([O-])c1cncnc1	39053624	169414870	/nfs/dbraw/zinc/41/48/70/169414870.db2.gz	NOYDQGFVFOQSAJ-UHFFFAOYSA-N	0	0	125.087	0.385	40	5		ACBBRN
O=c1ccc([N+](=O)[O-])co1	18810132	169420126	/nfs/dbraw/zinc/42/01/26/169420126.db2.gz	SGTSXMFZAIQJRX-UHFFFAOYSA-N	0	0	141.082	0.548	40	5		ACBBRN
O=[N+]([O-])c1ccc2nc(=S)[nH]n2c1	1705754	171001591	/nfs/dbraw/zinc/00/15/91/171001591.db2.gz	TWVJAVUBOYKJHM-UHFFFAOYSA-N	0	0	196.191	0.926	40	5		ACBBRN
O=[N+]([O-])c1cc(Cl)c[n+]([O-])c1	2029309	171003915	/nfs/dbraw/zinc/00/39/15/171003915.db2.gz	PBFCRCJOTRTKBS-UHFFFAOYSA-N	0	0	174.543	0.882	40	5		ACBBRN
O=[N+]([O-])Cc1ncc[nH]1	2579327	171007847	/nfs/dbraw/zinc/00/78/47/171007847.db2.gz	UJGLGHFVENLPLA-UHFFFAOYSA-N	0	0	127.103	0.186	40	5		ACBBRN
Nc1ccc(N)c([N+](=O)[O-])c1[N+](=O)[O-]	4552340	171013957	/nfs/dbraw/zinc/01/39/57/171013957.db2.gz	NDFXVYPVKASVBQ-UHFFFAOYSA-N	0	0	198.138	0.667	40	5		ACBBRN
CN(C)c1nc(N)ncc1[N+](=O)[O-]	4897090	171014873	/nfs/dbraw/zinc/01/48/73/171014873.db2.gz	BKTUZDRTDJEFOG-UHFFFAOYSA-N	0	0	183.171	0.033	40	5		ACBBRN
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CC(C)OC(=O)c1n[nH]cc1[N+](=O)[O-]	366377	342935130	/nfs/dbraw/zinc/93/51/30/342935130.db2.gz	LBPHPTMJVBIVMK-UHFFFAOYSA-N	0	0	199.166	0.883	40	5		ACBBRN
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C[N+](C)(C)CCC(=O)[O-]	897434	342942166	/nfs/dbraw/zinc/94/21/66/342942166.db2.gz	ACZVSMNFVFBOTM-UHFFFAOYSA-O	0	0	132.183	0.167	40	5	in-vitro	ACBBRN
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CCCC(C[N+](=O)[O-])C[N+](=O)[O-]	1715136	342961573	/nfs/dbraw/zinc/96/15/73/342961573.db2.gz	HLLKOBBJUDUSDL-UHFFFAOYSA-N	0	0	176.172	0.956	40	5		ACBBRN
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CC[C@@H]([C@H](C)O)[N+](=O)[O-]	1759013	342964125	/nfs/dbraw/zinc/96/41/25/342964125.db2.gz	CHOTTWGZEKCPHA-WHFBIAKZSA-N	0	0	133.147	0.423	40	5	in-vitro	ACBBRN
CC[C@@H](O)[C@@H](C)[N+](=O)[O-]	1759005	342964142	/nfs/dbraw/zinc/96/41/42/342964142.db2.gz	UQCZRXRWSNMZEP-RFZPGFLSSA-N	0	0	133.147	0.423	40	5	in-vitro	ACBBRN
CC(C)[C@@H](O)[C@@H](C)[N+](=O)[O-]	1759026	342964147	/nfs/dbraw/zinc/96/41/47/342964147.db2.gz	LOCQZPLNYZAZHO-PHDIDXHHSA-N	0	0	147.174	0.669	40	5		ACBBRN
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CC(C)[C@H](O)C[N+](=O)[O-]	1759016	342964182	/nfs/dbraw/zinc/96/41/82/342964182.db2.gz	KJTQHXTUICAYHG-RXMQYKEDSA-N	0	0	133.147	0.280	40	5		ACBBRN
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CC[C@@H]([C@@H](C)O)[N+](=O)[O-]	1759010	342964246	/nfs/dbraw/zinc/96/42/46/342964246.db2.gz	CHOTTWGZEKCPHA-UHNVWZDZSA-N	0	0	133.147	0.423	40	5	in-vitro	ACBBRN
C[C@H](O)C(C)(C)[N+](=O)[O-]	2042092	342969017	/nfs/dbraw/zinc/96/90/17/342969017.db2.gz	MVFMATZFWFEEKJ-BYPYZUCNSA-N	0	0	133.147	0.423	40	5		ACBBRN
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CCc1cn(C)nc1[N+](=O)[O-]	3091257	342980710	/nfs/dbraw/zinc/98/07/10/342980710.db2.gz	KQAVTJRVWQMVAF-UHFFFAOYSA-N	0	0	155.157	0.891	40	5		ACBBRN
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CC1(C)CCC(=O)O[C@@H]1C[N+](=O)[O-]	4416958	342991741	/nfs/dbraw/zinc/99/17/41/342991741.db2.gz	GCSFGAHTEKGJPP-ZCFIWIBFSA-N	0	0	187.195	0.995	40	5		ACBBRN
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Cc1nn(N)c(C)c1[N+](=O)[O-]	5003196	342997933	/nfs/dbraw/zinc/99/79/33/342997933.db2.gz	LLQJCJAGLJDAIS-UHFFFAOYSA-N	0	0	156.145	0.122	40	5		ACBBRN
CN(C)c1nnc([N+](=O)[O-])s1	5022665	342998412	/nfs/dbraw/zinc/99/84/12/342998412.db2.gz	OHIOYYBJZHSRIZ-UHFFFAOYSA-N	0	0	174.185	0.512	40	5		ACBBRN
CN(N)c1ccccc1[N+](=O)[O-]	5208530	342999948	/nfs/dbraw/zinc/99/99/48/342999948.db2.gz	PMEJFNBAOONAFT-UHFFFAOYSA-N	0	0	167.168	0.905	40	5		ACBBRN
Cc1nn([N+](=O)[O-])cc1[N+](=O)[O-]	5361091	343001611	/nfs/dbraw/zinc/00/16/11/343001611.db2.gz	TZMOJNIVOCPMIA-UHFFFAOYSA-N	0	0	172.100	0.140	40	5		ACBBRN
Cc1ncc([N+](=O)[O-])n1C[C@H]1CO1	5425145	343002684	/nfs/dbraw/zinc/00/26/84/343002684.db2.gz	NLXRQOREXATYEE-LURJTMIESA-N	0	0	183.167	0.499	40	5	in-vitro	ACBBRN
CCc1nc([N+](=O)[O-])c[nH]1	5424441	343002702	/nfs/dbraw/zinc/00/27/02/343002702.db2.gz	MXNAZXOOFZKJEV-UHFFFAOYSA-N	0	0	141.130	0.880	40	5	in-vitro	ACBBRN
Cc1cc([N+](=O)[O-])cn1[N+](=O)[O-]	5663752	343006221	/nfs/dbraw/zinc/00/62/21/343006221.db2.gz	CAMLSTGUJYUCDX-UHFFFAOYSA-N	0	0	171.112	0.745	40	5		ACBBRN
CC[N+](C)(C)[O-]	5955199	343010536	/nfs/dbraw/zinc/01/05/36/343010536.db2.gz	MECBYDXMJQGFGQ-UHFFFAOYSA-N	0	0	89.138	0.581	40	5		ACBBRN
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C[C@H]([C@H](O)c1ccccn1)[N+](=O)[O-]	12941791	343032528	/nfs/dbraw/zinc/03/25/28/343032528.db2.gz	CXMDDKFIABFAGR-SVRRBLITSA-N	0	0	182.179	0.780	40	5		ACBBRN
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C[C@H]([C@@H](O)c1ccccn1)[N+](=O)[O-]	17428033	343046721	/nfs/dbraw/zinc/04/67/21/343046721.db2.gz	CXMDDKFIABFAGR-HTRCEHHLSA-N	0	0	182.179	0.780	40	5		ACBBRN
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Cc1c([N+](=O)[O-])cnc(N)c1[N+](=O)[O-]	19802573	343060837	/nfs/dbraw/zinc/06/08/37/343060837.db2.gz	FKNLSEYINSVKJL-UHFFFAOYSA-N	0	0	198.138	0.789	40	5		ACBBRN
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Cc1nn(CCO)c(C)c1[N+](=O)[O-]	20313174	343071565	/nfs/dbraw/zinc/07/15/65/343071565.db2.gz	XAEQUNXMNQYLSK-UHFFFAOYSA-N	0	0	185.183	0.400	40	5		ACBBRN
Cc1nn(CCCO)c(C)c1[N+](=O)[O-]	20313100	343071625	/nfs/dbraw/zinc/07/16/25/343071625.db2.gz	KZTQEDVHVALBCW-UHFFFAOYSA-N	0	0	199.210	0.791	40	5		ACBBRN
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NC(=O)c1cccnc1[N+](=O)[O-]	32144580	343098240	/nfs/dbraw/zinc/09/82/40/343098240.db2.gz	VEEKACKGCOHXQC-UHFFFAOYSA-N	0	0	167.124	0.089	40	5		ACBBRN
Cc1ncc([N+](=O)[O-])c(=O)[nH]1	34079352	343109721	/nfs/dbraw/zinc/10/97/21/343109721.db2.gz	SZVXANZKTJYROP-UHFFFAOYSA-N	0	0	155.113	0.399	40	5		ACBBRN
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CC(C)n1ncc([N+](=O)[O-])c1N	43669705	343258797	/nfs/dbraw/zinc/25/87/97/343258797.db2.gz	WWTXDBVKLSQTIS-UHFFFAOYSA-N	0	0	170.172	0.954	40	5		ACBBRN
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O=c1cc2[nH]cc([N+](=O)[O-])c2c[nH]1	44713136	343268682	/nfs/dbraw/zinc/26/86/82/343268682.db2.gz	MPYAEBISPZSONX-UHFFFAOYSA-N	0	0	179.135	0.764	40	5		ACBBRN
CC(C)Cc1nc([N+](=O)[O-])n[nH]1	59386656	343344470	/nfs/dbraw/zinc/34/44/70/343344470.db2.gz	FILMLTGASFKDDM-UHFFFAOYSA-N	0	0	170.172	0.911	40	5		ACBBRN
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O=[N+]([O-])c1cccc(N2CC(O)C2)c1	70838648	343536500	/nfs/dbraw/zinc/53/65/00/343536500.db2.gz	PQHOJKWUFBLSET-UHFFFAOYSA-N	0	0	194.190	0.776	40	5		ACBBRN
Cc1cc([N+](=O)[O-])c(N)c[n+]1[O-]	71256065	343551418	/nfs/dbraw/zinc/55/14/18/343551418.db2.gz	HIZWAAGHRQXVLV-UHFFFAOYSA-N	0	0	169.140	0.119	40	5		ACBBRN
CCn1nc([N+](=O)[O-])cc1C(=O)OC	72209611	343563035	/nfs/dbraw/zinc/56/30/35/343563035.db2.gz	PIFWGIFGFOLJKT-UHFFFAOYSA-N	0	0	199.166	0.598	40	5		ACBBRN
CCn1nc([N+](=O)[O-])cc1CO	72209693	343563378	/nfs/dbraw/zinc/56/33/78/343563378.db2.gz	WRLXCBQBIBOACP-UHFFFAOYSA-N	0	0	171.156	0.304	40	5		ACBBRN
Cc1ncc([N+](=O)[O-])cc1C(N)=O	85223700	343641655	/nfs/dbraw/zinc/64/16/55/343641655.db2.gz	UKZVQIOQFZXJPF-UHFFFAOYSA-N	0	0	181.151	0.397	40	5		ACBBRN
Cc1[nH]c(=O)c(C)cc1[N+](=O)[O-]	85224476	343641837	/nfs/dbraw/zinc/64/18/37/343641837.db2.gz	XVHKMNXBHZNDJB-UHFFFAOYSA-N	0	0	168.152	0.900	40	5		ACBBRN
Cc1cnn(C)c1[N+](=O)[O-]	96029581	343693456	/nfs/dbraw/zinc/69/34/56/343693456.db2.gz	JAEXGQQBDVVQAG-UHFFFAOYSA-N	0	0	141.130	0.637	40	5		ACBBRN
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Cc1ccn(C)c(=O)c1[N+](=O)[O-]	96515852	343697838	/nfs/dbraw/zinc/69/78/38/343697838.db2.gz	YPDQKPACNBNYKA-UHFFFAOYSA-N	0	0	168.152	0.602	40	5		ACBBRN
C[N+](C)(C)CCOC(=O)[O-]	113163122	343757188	/nfs/dbraw/zinc/75/71/88/343757188.db2.gz	ZZJFIXMCLZTHQV-UHFFFAOYSA-O	0	0	148.182	0.387	40	5		ACBBRN
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O=[N+]([O-])CCCCCO	118214027	343774776	/nfs/dbraw/zinc/77/47/76/343774776.db2.gz	UISXXYURSRKYST-UHFFFAOYSA-N	0	0	133.147	0.426	40	5		ACBBRN
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Cc1cc(N(C)N)ncc1[N+](=O)[O-]	199550466	344361363	/nfs/dbraw/zinc/36/13/63/344361363.db2.gz	JNQNBWICKXDWAN-UHFFFAOYSA-N	0	0	182.183	0.608	40	5		ACBBRN
Nc1ccc(C=O)c([N+](=O)[O-])c1	218848868	344417151	/nfs/dbraw/zinc/41/71/51/344417151.db2.gz	BFIVMQFWPKKQDE-UHFFFAOYSA-N	0	0	166.136	0.990	40	5		ACBBRN
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NNc1ncc(F)cc1[N+](=O)[O-]	307401956	346019548	/nfs/dbraw/zinc/01/95/48/346019548.db2.gz	BUPKOJIKTFPXLR-UHFFFAOYSA-N	0	0	172.119	0.415	40	5		ACBBRN
COCCn1nccc1[N+](=O)[O-]	307977878	346246600	/nfs/dbraw/zinc/24/66/00/346246600.db2.gz	MOKCQVPWWKHDIK-UHFFFAOYSA-N	0	0	171.156	0.438	40	5		ACBBRN
Cc1cc([N+](=O)[O-])c(Cl)[n-][n+]1=O	334138784	346325996	/nfs/dbraw/zinc/32/59/96/346325996.db2.gz	CZTXNNCNHQFNQF-UHFFFAOYSA-N	0	0	190.566	0.799	40	5		ACBBRN
COc1cc([N+](=O)[O-])cc2n[nH]nc12	616567622	347095213	/nfs/dbraw/zinc/09/52/13/347095213.db2.gz	CAMIEXGQDVVBLY-UHFFFAOYSA-N	0	0	194.150	0.875	40	5		ACBBRN
O=[N+]([O-])c1cccc(-n2cnnn2)c1	347694	351276215	/nfs/dbraw/zinc/27/62/15/351276215.db2.gz	UJGJMZVYYVWKOY-UHFFFAOYSA-N	0	0	191.150	0.571	40	5		ACBBRN
O=[N+]([O-])c1cnn(-c2cn[nH]c2)c1	1103249	351284058	/nfs/dbraw/zinc/28/40/58/351284058.db2.gz	PNYCEXACACLEIC-UHFFFAOYSA-N	0	0	179.139	0.504	40	5		ACBBRN
O=[N+]([O-])c1ccc2c(c1)no[n+]2[O-]	1584254	351288213	/nfs/dbraw/zinc/28/82/13/351288213.db2.gz	YWNYYXHJVPPICD-UHFFFAOYSA-N	0	0	181.107	0.369	40	5		ACBBRN
O=[N+]([O-])[C@@H]1CCCC[C@@H]1O	1715625	351296994	/nfs/dbraw/zinc/29/69/94/351296994.db2.gz	HCANSMXQRLLYOH-RITPCOANSA-N	0	0	145.158	0.567	40	5		ACBBRN
O=[N+]([O-])c1cccc2c1no[n+]2[O-]	1757945	351298516	/nfs/dbraw/zinc/29/85/16/351298516.db2.gz	XUCKCDGEIRMZPM-UHFFFAOYSA-N	0	0	181.107	0.369	40	5		ACBBRN
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O=[N+]([O-])c1cccc([N+](=O)[O-])c1CO	3848117	351321067	/nfs/dbraw/zinc/32/10/67/351321067.db2.gz	JOFAFRXWWUXIEE-UHFFFAOYSA-N	0	0	198.134	0.995	40	5		ACBBRN
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O=[N+]([O-])[C@H]1CCCC[C@@H]1O	5081825	351337922	/nfs/dbraw/zinc/33/79/22/351337922.db2.gz	HCANSMXQRLLYOH-WDSKDSINSA-N	0	0	145.158	0.567	40	5		ACBBRN
O=[N+]([O-])[C@H]1CCCC[C@H]1O	5081828	351337930	/nfs/dbraw/zinc/33/79/30/351337930.db2.gz	HCANSMXQRLLYOH-NTSWFWBYSA-N	0	0	145.158	0.567	40	5		ACBBRN
O=c1[n-]c(Cl)ncc1[N+](=O)[O-]	5286129	351341659	/nfs/dbraw/zinc/34/16/59/351341659.db2.gz	YAWXGRKOOLHJSP-UHFFFAOYSA-N	0	0	175.531	0.332	40	5	in-vitro	ACBBRN
Cc1c([N+](=O)[O-])nn(C)c1[N+](=O)[O-]	5378423	351342811	/nfs/dbraw/zinc/34/28/11/351342811.db2.gz	IWEDAMRISUXICB-UHFFFAOYSA-N	0	0	186.127	0.545	40	5		ACBBRN
O=NNc1ncc([N+](=O)[O-])cn1	6524458	351352061	/nfs/dbraw/zinc/35/20/61/351352061.db2.gz	OYWOXRITSHKCMT-UHFFFAOYSA-N	0	0	169.100	0.478	40	5		ACBBRN
O=[N+]([O-])c1ccn(CCCO)n1	12357731	351362893	/nfs/dbraw/zinc/36/28/93/351362893.db2.gz	AUUMTEXAPPNCJB-UHFFFAOYSA-N	0	0	171.156	0.174	40	5		ACBBRN
C[C@@H]([C@@H](O)c1ccccn1)[N+](=O)[O-]	12941786	351366174	/nfs/dbraw/zinc/36/61/74/351366174.db2.gz	CXMDDKFIABFAGR-POYBYMJQSA-N	0	0	182.179	0.780	40	5		ACBBRN
O=[N+]([O-])c1ccc(O)n2ccnc12	14000427	351372165	/nfs/dbraw/zinc/37/21/65/351372165.db2.gz	CFDXDPDCKDNXAP-UHFFFAOYSA-N	0	0	179.135	0.948	40	5		ACBBRN
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O=[N+]([O-])c1ccncc1[N+](=O)[O-]	14982764	351376000	/nfs/dbraw/zinc/37/60/00/351376000.db2.gz	AGWLZVDRBYEOSR-UHFFFAOYSA-N	0	0	169.096	0.898	40	5		ACBBRN
O=[N+]([O-])c1ccc(F)c[n+]1[O-]	14983370	351376201	/nfs/dbraw/zinc/37/62/01/351376201.db2.gz	VCULLFRHZQRKNL-UHFFFAOYSA-N	0	0	158.088	0.367	40	5		ACBBRN
C[C@@H]([C@H](O)c1ccncc1)[N+](=O)[O-]	15892388	351378873	/nfs/dbraw/zinc/37/88/73/351378873.db2.gz	YOUCQKLKZIYXHO-XPUUQOCRSA-N	0	0	182.179	0.780	40	5		ACBBRN
C[C@@H]([C@@H](O)c1ccncc1)[N+](=O)[O-]	15892384	351379109	/nfs/dbraw/zinc/37/91/09/351379109.db2.gz	YOUCQKLKZIYXHO-POYBYMJQSA-N	0	0	182.179	0.780	40	5		ACBBRN
O=[N+]([O-])c1csc([N+](=O)[O-])n1	15784321	351379189	/nfs/dbraw/zinc/37/91/89/351379189.db2.gz	DCRQGZJJUFKWND-UHFFFAOYSA-N	0	0	175.125	0.960	40	5		ACBBRN
O=c1cc([N+](=O)[O-])c2c([nH]1)CCC2	16939590	351381657	/nfs/dbraw/zinc/38/16/57/351381657.db2.gz	PBVUFTQAVKRPCF-UHFFFAOYSA-N	0	0	180.163	0.772	40	5		ACBBRN
C[C@@H]([C@H](O)c1ccccn1)[N+](=O)[O-]	17428037	351383586	/nfs/dbraw/zinc/38/35/86/351383586.db2.gz	CXMDDKFIABFAGR-XPUUQOCRSA-N	0	0	182.179	0.780	40	5		ACBBRN
C[C@@H]([C@H](O)c1cccnc1)[N+](=O)[O-]	17428029	351383647	/nfs/dbraw/zinc/38/36/47/351383647.db2.gz	LTETZIXTJNPCAD-XPUUQOCRSA-N	0	0	182.179	0.780	40	5		ACBBRN
C[C@@H]([C@@H](O)c1cccnc1)[N+](=O)[O-]	17428025	351383722	/nfs/dbraw/zinc/38/37/22/351383722.db2.gz	LTETZIXTJNPCAD-POYBYMJQSA-N	0	0	182.179	0.780	40	5		ACBBRN
CC(C)([C@@H]1COC(=O)C1)[N+](=O)[O-]	22063441	351411120	/nfs/dbraw/zinc/41/11/20/351411120.db2.gz	RYCYEHGQUZLVQW-YFKPBYRVSA-N	0	0	173.168	0.605	40	5	in-vitro	ACBBRN
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O=[N+]([O-])c1ccc[n+]([O-])c1Cl	35569902	351450345	/nfs/dbraw/zinc/45/03/45/351450345.db2.gz	WNCNZEROUQXMEE-UHFFFAOYSA-N	0	0	174.543	0.882	40	5		ACBBRN
O=Cc1cnccc1[N+](=O)[O-]	35569836	351450506	/nfs/dbraw/zinc/45/05/06/351450506.db2.gz	JOCNJQYXCDLGRQ-UHFFFAOYSA-N	0	0	152.109	0.802	40	5		ACBBRN
O=[N+]([O-])c1ccc2[nH]nc(CO)c2c1	44185059	351536566	/nfs/dbraw/zinc/53/65/66/351536566.db2.gz	ZZXYCDHPDSVADQ-UHFFFAOYSA-N	0	0	193.162	0.963	40	5		ACBBRN
O=[N+]([O-])c1ccc(NNCCO)cc1	45221707	351541898	/nfs/dbraw/zinc/54/18/98/351541898.db2.gz	MQYMABVHJBNZNU-UHFFFAOYSA-N	0	0	197.194	0.504	40	5		ACBBRN
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