smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cn1cc([N+](=O)[O-])c(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000002776670	180955150	/nfs/dbraw/zinc/95/51/50/180955150.db2.gz	BKIWCGIPKNJQNN-UHFFFAOYSA-N	0	0	309.242	-0.137	50	5		DBBARN
Nc1c2c(=O)[nH]c(=O)c2c(N)c2c(=O)c3ccccc3c(=O)c12	ZINC000000208158	283654467	/nfs/dbraw/zinc/65/44/67/283654467.db2.gz	UOBRDAVIVQKFCM-UHFFFAOYSA-N	0	0	307.265	-0.045	50	5		DBBARN
O=C(NC[C@@H](O)CO)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000013680705	374583478	/nfs/dbraw/zinc/58/34/78/374583478.db2.gz	YRYSYAZHJAUSCB-ZYHUDNBSSA-N	0	0	324.337	-0.324	50	5		DBBARN
O=C(NC[C@@H](O)CO)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000013680708	374583777	/nfs/dbraw/zinc/58/37/77/374583777.db2.gz	YRYSYAZHJAUSCB-CMPLNLGQSA-N	0	0	324.337	-0.324	50	5		DBBARN
CC(C)NC(=S)NNC1=c2cc([N+](=O)[O-])ccc2=NC1=O	ZINC000100477574	193799704	/nfs/dbraw/zinc/79/97/04/193799704.db2.gz	UMFXFNIJLCACSL-UHFFFAOYSA-N	0	0	307.335	-0.760	50	5		DBBARN
COC(=O)CCn1nc([N+](=O)[O-])nc1-n1cnc(Cl)n1	ZINC000000997147	377218064	/nfs/dbraw/zinc/21/80/64/377218064.db2.gz	HHWWVPWIWSLLGO-UHFFFAOYSA-N	0	0	301.650	-0.017	50	5		DBBARN
COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CCO)CCO	ZINC000040751861	183129055	/nfs/dbraw/zinc/12/90/55/183129055.db2.gz	NTOVSJBXBHLVKK-UHFFFAOYSA-N	0	0	320.323	-0.421	50	5		DBBARN
CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-]	ZINC000012948022	378869876	/nfs/dbraw/zinc/86/98/76/378869876.db2.gz	HFMXNESBOZNXPN-UHFFFAOYSA-N	0	0	323.352	-0.247	50	5		DBBARN
Cn1nc([N+](=O)[O-])nc1NCCNc1nc([N+](=O)[O-])nn1C	ZINC000075249754	379319435	/nfs/dbraw/zinc/31/94/35/379319435.db2.gz	DXHYUUHFYVFWOU-UHFFFAOYSA-N	0	0	312.250	-0.716	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H]1O	ZINC000239377960	380707210	/nfs/dbraw/zinc/70/72/10/380707210.db2.gz	OGMMHVDSLPLLTH-NZEXEKPDSA-N	0	0	314.294	-0.885	50	5		DBBARN
Cc1nn(C)c(NCCNS(=O)(=O)NC(C)C)c1[N+](=O)[O-]	ZINC000253433063	382349918	/nfs/dbraw/zinc/34/99/18/382349918.db2.gz	RISZCIUDZGHWCH-UHFFFAOYSA-N	0	0	320.375	-0.119	50	5		DBBARN
O=C(NC[C@@H](O)CO)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000020649552	382600050	/nfs/dbraw/zinc/60/00/50/382600050.db2.gz	XNGHGGKFYCFPSO-GFCCVEGCSA-N	0	0	324.337	-0.324	50	5		DBBARN
CN(CC(N)=O)C[C@@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000282199215	382608677	/nfs/dbraw/zinc/60/86/77/382608677.db2.gz	HYKRTRLAIFBQOD-LLVKDONJSA-N	0	0	323.353	-0.201	50	5		DBBARN
O=C(NN1CCOCC1)c1ccn(Cn2cc([N+](=O)[O-])cn2)n1	ZINC000002788434	382633896	/nfs/dbraw/zinc/63/38/96/382633896.db2.gz	YRLMVZKCRGQXFU-UHFFFAOYSA-N	0	0	321.297	-0.529	50	5		DBBARN
Cc1c([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2C(N)=O)nn1C	ZINC000002778662	382633913	/nfs/dbraw/zinc/63/39/13/382633913.db2.gz	LATMAZHZEIGBQV-UHFFFAOYSA-N	0	0	307.270	-0.279	50	5		DBBARN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1[C@H]1CCC(=O)NC1=O	ZINC000006093857	296438953	/nfs/dbraw/zinc/43/89/53/296438953.db2.gz	KVRCAGKHAZRSQX-QMMMGPOBSA-N	0	0	303.230	-0.004	50	5		DBBARN
CCOC(CNc1c([N+](=O)[O-])c(=O)n(C)c(=O)n1C)OCC	ZINC000004114236	392161659	/nfs/dbraw/zinc/16/16/59/392161659.db2.gz	LMGIGNXABOUWPF-UHFFFAOYSA-N	0	0	316.314	-0.197	50	5		DBBARN
Cc1ccc(N[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000239402668	393728449	/nfs/dbraw/zinc/72/84/49/393728449.db2.gz	QYGZBLQSDVTLBE-SYLRKERUSA-N	0	0	314.294	-0.885	50	5		DBBARN
COc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000239174084	393728582	/nfs/dbraw/zinc/72/85/82/393728582.db2.gz	PFSPYUUVLGJDSF-IRCOFANPSA-N	0	0	300.267	-0.546	50	5		DBBARN
O=c1c2cnc3ccn(-n4cnnc4)c(=O)c3c2ccn1CCO	ZINC000072140606	280392811	/nfs/dbraw/zinc/39/28/11/280392811.db2.gz	CJDFHCIKNSTANP-UHFFFAOYSA-N	0	0	324.300	-0.393	50	5		DBBARN
CC(=O)Nc1[nH]c2c(c(=O)c1[N+](=O)[O-])c(=O)n(C)c(=O)n2C	ZINC000022023391	663947484	/nfs/dbraw/zinc/94/74/84/663947484.db2.gz	BGZYCWZHVCHOBQ-UHFFFAOYSA-N	0	0	309.238	-0.796	50	5		DBBARN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CC(CO)(CO)C1	ZINC000952880150	809008267	/nfs/dbraw/zinc/00/82/67/809008267.db2.gz	JKAIWMKSKOMELD-UHFFFAOYSA-N	0	0	316.335	-0.121	50	5		DBBARN
COc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000003999173	181060645	/nfs/dbraw/zinc/06/06/45/181060645.db2.gz	FWQYZYBZRPETDU-WISYIIOYSA-N	0	0	300.267	-0.546	50	5	biogenic	DBBARN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O	ZINC000004006979	181061430	/nfs/dbraw/zinc/06/14/30/181061430.db2.gz	QGKJFGGOQJLFAT-MRVPVSSYSA-N	0	0	302.202	-0.120	50	5		DBBARN
Nc1nc(NCCOCCO)nc(N2CCCC2)c1[N+](=O)[O-]	ZINC000005217550	181218439	/nfs/dbraw/zinc/21/84/39/181218439.db2.gz	VBOXDJRJAOKIDM-UHFFFAOYSA-N	0	0	312.330	-0.012	50	5		DBBARN
O=[N+]([O-])c1ccccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000005869098	181291607	/nfs/dbraw/zinc/29/16/07/181291607.db2.gz	SZAOZNVCHHBUDZ-JUAIVUMSSA-N	0	0	317.319	-0.513	50	5		DBBARN
Cc1cc([N+](=O)[O-])nn1CC(=O)NCCCN1CCOCC1	ZINC000019288313	182112848	/nfs/dbraw/zinc/11/28/48/182112848.db2.gz	BATGESBONXXJBN-UHFFFAOYSA-N	0	0	311.342	-0.062	50	5		DBBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@H]1COCCN1	ZINC000236412776	375320498	/nfs/dbraw/zinc/32/04/98/375320498.db2.gz	BIDBKTBKHBGZDV-VIFPVBQESA-N	0	0	301.324	-0.139	50	5		DBBARN
NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3nonc32)CC1	ZINC000036038186	380516087	/nfs/dbraw/zinc/51/60/87/380516087.db2.gz	CGDLZTOFJDYXNT-UHFFFAOYSA-N	0	0	306.282	-0.262	50	5		DBBARN
COc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000239403310	380706839	/nfs/dbraw/zinc/70/68/39/380706839.db2.gz	RSWFVIIFGFGSSP-MRHWKODTSA-N	0	0	314.294	-0.157	50	5		DBBARN
O=C(NC[C@H](O)CO)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000020649549	382600040	/nfs/dbraw/zinc/60/00/40/382600040.db2.gz	XNGHGGKFYCFPSO-LBPRGKRZSA-N	0	0	324.337	-0.324	50	5		DBBARN
Cn1ncc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C(N)=O	ZINC000002776778	382633998	/nfs/dbraw/zinc/63/39/98/382633998.db2.gz	CSMKDUNMSKBPGY-UHFFFAOYSA-N	0	0	307.270	-0.348	50	5		DBBARN
Cc1nn(C)c(C(=O)Nc2cnn(C)c2C(N)=O)c1[N+](=O)[O-]	ZINC000002780320	382634107	/nfs/dbraw/zinc/63/41/07/382634107.db2.gz	DWNDQOXMIWOWEH-UHFFFAOYSA-N	0	0	307.270	-0.279	50	5		DBBARN
Cc1ccc(N[C@@H]2O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC000239402666	256601848	/nfs/dbraw/zinc/60/18/48/256601848.db2.gz	QYGZBLQSDVTLBE-KSSYENDESA-N	0	0	314.294	-0.885	50	5		DBBARN
CN1CCN(c2nc(N3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000005051115	273900784	/nfs/dbraw/zinc/90/07/84/273900784.db2.gz	XFAANISYIQKPDB-UHFFFAOYSA-N	0	0	323.357	-0.445	50	5		DBBARN
NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000003885816	181052192	/nfs/dbraw/zinc/05/21/92/181052192.db2.gz	FYXUTXMHJVIGGB-UHFFFAOYSA-N	0	0	302.312	-0.099	50	5		DBBARN
COc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000003897454	181054263	/nfs/dbraw/zinc/05/42/63/181054263.db2.gz	RSWFVIIFGFGSSP-GDICPINPSA-N	0	0	314.294	-0.157	50	5		DBBARN
NC(=O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000372712574	138169596	/nfs/dbraw/zinc/16/95/96/138169596.db2.gz	HXXPKQLCOPZAOP-UISBYWKRSA-N	0	0	307.310	-0.096	50	5		DBBARN
COC(=O)NCCC(CCNC(=O)OC)([N+](=O)[O-])[N+](=O)[O-]	ZINC000019227713	182109007	/nfs/dbraw/zinc/10/90/07/182109007.db2.gz	UQXPZOFUYWYKRP-UHFFFAOYSA-N	0	0	308.247	-0.272	50	5		DBBARN
COC(=O)c1cc2c(nc3ccccn3c2=O)n(CCO)c1=N	ZINC000100895239	374476300	/nfs/dbraw/zinc/47/63/00/374476300.db2.gz	VELSTSPQDYTRDE-UHFFFAOYSA-N	0	0	314.301	-0.092	50	5		DBBARN
O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	ZINC000013520562	374545948	/nfs/dbraw/zinc/54/59/48/374545948.db2.gz	IXFOBQXJWRLXMD-IIRVCBMXSA-N	0	0	317.319	-0.513	50	5		DBBARN
CO[C@@]1(O)C(C(C)=O)N=Nc2c([N+](=O)[O-])c([N+](=O)[O-])nn21	ZINC000075250918	379318233	/nfs/dbraw/zinc/31/82/33/379318233.db2.gz	VNRAUPSTBHANCT-QMMMGPOBSA-N	0	0	300.187	-0.681	50	5		DBBARN
CO[C@]1(O)C(C(C)=O)N=Nc2c([N+](=O)[O-])c([N+](=O)[O-])nn21	ZINC000075250920	379319029	/nfs/dbraw/zinc/31/90/29/379319029.db2.gz	VNRAUPSTBHANCT-MRVPVSSYSA-N	0	0	300.187	-0.681	50	5		DBBARN
CCOc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000005393467	380506424	/nfs/dbraw/zinc/50/64/24/380506424.db2.gz	AMZORTHDRNMFTE-WUHRBBMRSA-N	0	0	314.294	-0.156	50	5	biogenic	DBBARN
Cc1ccc([N+](=O)[O-])cc1NN=C1NC(CO)(CO)COC1=O	ZINC000003177197	382640354	/nfs/dbraw/zinc/64/03/54/382640354.db2.gz	AOJOSGVYUCWAGN-UHFFFAOYSA-N	0	0	324.293	-0.502	50	5		DBBARN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1c[nH]c(=O)[nH]c1=O	ZINC000000267316	285017342	/nfs/dbraw/zinc/01/73/42/285017342.db2.gz	VLRJULOEJLGVGG-UHFFFAOYSA-N	0	0	302.202	-0.228	50	5		DBBARN
COCCNc1nc(N)c([N+](=O)[O-])c(N2CCN(C)CC2)n1	ZINC000005164817	392572212	/nfs/dbraw/zinc/57/22/12/392572212.db2.gz	DXWFFIXJRALDRD-UHFFFAOYSA-N	0	0	311.346	-0.223	50	5		DBBARN
Cn1c2cc([N+](=O)[O-])c(N3CCOCC3)cc2n(C)c(=O)c1=O	ZINC000004708489	134463958	/nfs/dbraw/zinc/46/39/58/134463958.db2.gz	LPXGSDOJLJLDFH-UHFFFAOYSA-N	0	0	320.305	-0.018	50	5		DBBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@H]1CO	ZINC000725374095	664888858	/nfs/dbraw/zinc/88/88/58/664888858.db2.gz	HIDQXZZPGUTPTP-VIFPVBQESA-N	0	0	301.324	-0.450	50	5		DBBARN
Nc1nc(N2CCC[C@H](Cc3nn[nH]n3)C2)ncc1[N+](=O)[O-]	ZINC000952992353	809012931	/nfs/dbraw/zinc/01/29/31/809012931.db2.gz	KKIIHCKZOJZECT-SSDOTTSWSA-N	0	0	305.302	-0.061	50	5		DBBARN
CC(CO)(CO)NC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21	ZINC000095481804	185373778	/nfs/dbraw/zinc/37/37/78/185373778.db2.gz	IFDGNOTZVQDFSK-UHFFFAOYSA-N	0	0	315.307	-0.623	50	5		DBBARN
COc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000013476122	181854396	/nfs/dbraw/zinc/85/43/96/181854396.db2.gz	PFSPYUUVLGJDSF-WHOHXGKFSA-N	0	0	300.267	-0.546	50	5		DBBARN
O=CN1CCN(CN2C(=O)C(=O)c3cc([N+](=O)[O-])ccc32)CC1	ZINC000020615326	182239150	/nfs/dbraw/zinc/23/91/50/182239150.db2.gz	QKEDSDCQHJDTIX-UHFFFAOYSA-N	0	0	318.289	-0.144	50	5		DBBARN
COC(=O)[C@@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000089396163	380148359	/nfs/dbraw/zinc/14/83/59/380148359.db2.gz	AVMYPYGQJIKRSX-QMMMGPOBSA-N	0	0	304.280	-0.593	50	5		DBBARN
O=[N+]([O-])c1ccccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000106384558	382252042	/nfs/dbraw/zinc/25/20/42/382252042.db2.gz	SZAOZNVCHHBUDZ-BGOACCFOSA-N	0	0	317.319	-0.513	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000071745695	382252272	/nfs/dbraw/zinc/25/22/72/382252272.db2.gz	ZRDULDSITSDCQB-KSSYENDESA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
COc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000096220814	382608414	/nfs/dbraw/zinc/60/84/14/382608414.db2.gz	FWQYZYBZRPETDU-DDHJBXDOSA-N	0	0	300.267	-0.546	50	5	biogenic	DBBARN
CN1CCN(c2ncnc(N3CCN(C)CC3)c2[N+](=O)[O-])CC1	ZINC000005248201	290059490	/nfs/dbraw/zinc/05/94/90/290059490.db2.gz	JBWKSDUANUQBDV-UHFFFAOYSA-N	0	0	321.385	-0.112	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCCn1ncnn1	ZINC000351607419	525572046	/nfs/dbraw/zinc/57/20/46/525572046.db2.gz	ITIPIRCLALFVTB-UHFFFAOYSA-N	0	0	312.311	-0.132	50	5		DBBARN
NNc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003885815	181052425	/nfs/dbraw/zinc/05/24/25/181052425.db2.gz	PYSKVSQHZLLQFB-UHFFFAOYSA-N	0	0	302.312	-0.099	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O	ZINC000003999196	181060320	/nfs/dbraw/zinc/06/03/20/181060320.db2.gz	VCSKAKIULNIBRN-SYLRKERUSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
O=C(Cn1nc([N+](=O)[O-])nc1-n1ccnc1)N1CCOCC1	ZINC000012360640	376669396	/nfs/dbraw/zinc/66/93/96/376669396.db2.gz	ALIQPOWZLXMBFJ-UHFFFAOYSA-N	0	0	307.270	-0.769	50	5		DBBARN
O=C1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C(=O)N1	ZINC000089878834	296330187	/nfs/dbraw/zinc/33/01/87/296330187.db2.gz	GMBNHKLJBPOPGH-ZETCQYMHSA-N	0	0	317.261	-0.180	50	5		DBBARN
O=C(NC[C@H](O)CO)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000020649537	382600507	/nfs/dbraw/zinc/60/05/07/382600507.db2.gz	YRYSYAZHJAUSCB-JQWIXIFHSA-N	0	0	324.337	-0.324	50	5		DBBARN
Cn1ncc(NC(=O)CCn2ccc([N+](=O)[O-])n2)c1C(N)=O	ZINC000002776993	382633901	/nfs/dbraw/zinc/63/39/01/382633901.db2.gz	GRBMACTTZWZUIU-UHFFFAOYSA-N	0	0	307.270	-0.348	50	5		DBBARN
COC(=O)CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O	ZINC000009576702	382694502	/nfs/dbraw/zinc/69/45/02/382694502.db2.gz	PPAMWJDAXNNJHF-UHFFFAOYSA-N	0	0	320.261	-0.406	50	5		DBBARN
CS(=O)(=O)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000009661802	382694660	/nfs/dbraw/zinc/69/46/60/382694660.db2.gz	JIFWMEDWVUGCOU-UHFFFAOYSA-N	0	0	310.313	-0.882	50	5		DBBARN
COc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000239174085	256600995	/nfs/dbraw/zinc/60/09/95/256600995.db2.gz	PFSPYUUVLGJDSF-NNYUYHANSA-N	0	0	300.267	-0.546	50	5		DBBARN
COc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000245231547	257259330	/nfs/dbraw/zinc/25/93/30/257259330.db2.gz	FWQYZYBZRPETDU-NOOOWODRSA-N	0	0	300.267	-0.546	50	5	biogenic	DBBARN
COC(=O)[C@@H]1CSCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000408515646	392525839	/nfs/dbraw/zinc/52/58/39/392525839.db2.gz	MWBWQJFXRVCTKB-QMMMGPOBSA-N	0	0	300.296	-0.134	50	5		DBBARN
CCOC(=O)C[C@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000408517442	392526444	/nfs/dbraw/zinc/52/64/44/392526444.db2.gz	JDBFNYLAYDHJSH-MRVPVSSYSA-N	0	0	300.271	-0.778	50	5		DBBARN
COc1ccc(Cn2c(=O)n(C)c(=O)n(C)c2=O)cc1[N+](=O)[O-]	ZINC000000032386	563505646	/nfs/dbraw/zinc/50/56/46/563505646.db2.gz	LJAIOQHSQWOMKN-UHFFFAOYSA-N	0	0	322.277	-0.789	50	5		DBBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCNC[C@@H]1CO	ZINC000725374090	664888809	/nfs/dbraw/zinc/88/88/09/664888809.db2.gz	HIDQXZZPGUTPTP-SECBINFHSA-N	0	0	301.324	-0.450	50	5		DBBARN
Nc1nc(N2CCOCC2)nc(N2CCOCC2)c1[N+](=O)[O-]	ZINC000004869131	283688793	/nfs/dbraw/zinc/68/87/93/283688793.db2.gz	GPQJTPYOELLUTC-UHFFFAOYSA-N	0	0	310.314	-0.360	50	5		DBBARN
C[C@H]1CN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000005180493	375209949	/nfs/dbraw/zinc/20/99/49/375209949.db2.gz	OPQBRJWKHIXXSO-YUMQZZPRSA-N	0	0	312.330	-0.015	50	5		DBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H]2COCCN2)cc1	ZINC000236407110	375320447	/nfs/dbraw/zinc/32/04/47/375320447.db2.gz	WGTXQPOQDQJHGG-VIFPVBQESA-N	0	0	301.324	-0.139	50	5		DBBARN
CNC(=O)CNC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000025199474	377215372	/nfs/dbraw/zinc/21/53/72/377215372.db2.gz	JLMPOXLZMYHPNW-UHFFFAOYSA-N	0	0	322.321	-0.093	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	ZINC000239377959	380707417	/nfs/dbraw/zinc/70/74/17/380707417.db2.gz	OGMMHVDSLPLLTH-KSSYENDESA-N	0	0	314.294	-0.885	50	5		DBBARN
O=C1c2ccccc2C(=O)N2CN3CN1CC([N+](=O)[O-])(C3)C2	ZINC000019900862	382591610	/nfs/dbraw/zinc/59/16/10/382591610.db2.gz	VWCVEOCDIRZPAO-UHFFFAOYSA-N	0	0	302.290	-0.156	50	5		DBBARN
O=C(NC[C@H](O)CO)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1	ZINC000020649532	382600142	/nfs/dbraw/zinc/60/01/42/382600142.db2.gz	YRYSYAZHJAUSCB-PWSUYJOCSA-N	0	0	324.337	-0.324	50	5		DBBARN
CC(=O)OCCOCn1cnn2c1nc(C)c([N+](=O)[O-])c2=O	ZINC000002897225	382636736	/nfs/dbraw/zinc/63/67/36/382636736.db2.gz	ZJTZGWHGDYIYGV-UHFFFAOYSA-N	0	0	311.254	-0.355	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@@H]1O	ZINC000245232399	257214898	/nfs/dbraw/zinc/21/48/98/257214898.db2.gz	VCSKAKIULNIBRN-KSSYENDESA-N	0	0	314.294	-0.885	50	5		DBBARN
CCOC(=O)C[C@@H](CO)NC(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000408517445	528872122	/nfs/dbraw/zinc/87/21/22/528872122.db2.gz	JDBFNYLAYDHJSH-QMMMGPOBSA-N	0	0	300.271	-0.778	50	5		DBBARN
O=C(Cn1c[n+]([N-][N+](=O)[O-])cn1)Nc1ccc([N+](=O)[O-])cc1	ZINC000016671705	803749682	/nfs/dbraw/zinc/74/96/82/803749682.db2.gz	SQPOLKGMHGPIHZ-UHFFFAOYSA-O	0	0	308.234	-0.547	50	5		DBBARN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O	ZINC000004006980	181061316	/nfs/dbraw/zinc/06/13/16/181061316.db2.gz	QGKJFGGOQJLFAT-QMMMGPOBSA-N	0	0	302.202	-0.120	50	5		DBBARN
CNC(=O)NC(=O)CN1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000026483572	379654738	/nfs/dbraw/zinc/65/47/38/379654738.db2.gz	MFDSFNUSVHRKKI-UHFFFAOYSA-N	0	0	322.325	-0.433	50	5		DBBARN
NC(=O)NCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000006831653	380620396	/nfs/dbraw/zinc/62/03/96/380620396.db2.gz	AWFSSKAHCSNFLT-UHFFFAOYSA-N	0	0	307.310	-0.088	50	5		DBBARN
CCOc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000239347274	380706640	/nfs/dbraw/zinc/70/66/40/380706640.db2.gz	MPDNUJOEJNZQAA-YVECIDJPSA-N	0	0	314.294	-0.156	50	5		DBBARN
CCn1cc([N+](=O)[O-])c(C(=O)Nc2cnn(C)c2C(N)=O)n1	ZINC000002781419	382634113	/nfs/dbraw/zinc/63/41/13/382634113.db2.gz	MILHYRHLPSSTQU-UHFFFAOYSA-N	0	0	307.270	-0.104	50	5		DBBARN
NC(=O)c1cc([N+](=O)[O-])cn(CCN2C(=O)CCC2=O)c1=O	ZINC000031813271	382644708	/nfs/dbraw/zinc/64/47/08/382644708.db2.gz	XTJYRIZGGVVORH-UHFFFAOYSA-N	0	0	308.250	-0.996	50	5		DBBARN
O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2nc(=O)cnn12	ZINC000000137730	285193057	/nfs/dbraw/zinc/19/30/57/285193057.db2.gz	VNSHUTAFBAYJNE-WEVVVXLNSA-N	0	0	302.271	-0.033	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O	ZINC000245232401	257214905	/nfs/dbraw/zinc/21/49/05/257214905.db2.gz	VCSKAKIULNIBRN-UJPOAAIJSA-N	0	0	314.294	-0.885	50	5		DBBARN
CN(CC(N)=O)C[C@H]1CN(c2cc(N)ccc2[N+](=O)[O-])CCO1	ZINC000282199220	282379238	/nfs/dbraw/zinc/37/92/38/282379238.db2.gz	HYKRTRLAIFBQOD-NSHDSACASA-N	0	0	323.353	-0.201	50	5		DBBARN
Cn1c2ncn(CCn3cc([N+](=O)[O-])cn3)c2c(=O)n(C)c1=O	ZINC000072291229	191109102	/nfs/dbraw/zinc/10/91/02/191109102.db2.gz	QPZFKBUYQWBKPA-UHFFFAOYSA-N	0	0	319.281	-0.761	50	5		DBBARN
COc1ccc(N[C@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000003999172	181060846	/nfs/dbraw/zinc/06/08/46/181060846.db2.gz	FWQYZYBZRPETDU-WYUUTHIRSA-N	0	0	300.267	-0.546	50	5		DBBARN
Cn1nnnc1Sc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000012634969	181784820	/nfs/dbraw/zinc/78/48/20/181784820.db2.gz	KYRSKRWGXFDQHN-UHFFFAOYSA-N	0	0	316.324	-0.083	50	5		DBBARN
C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)C[C@@H](C)O1	ZINC000005187371	375213474	/nfs/dbraw/zinc/21/34/74/375213474.db2.gz	OYGOAAYTUVCGOC-HTQZYQBOSA-N	0	0	312.330	-0.015	50	5		DBBARN
CCOc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000101146794	193809203	/nfs/dbraw/zinc/80/92/03/193809203.db2.gz	MPDNUJOEJNZQAA-MROQNXINSA-N	0	0	314.294	-0.156	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000105837011	194144094	/nfs/dbraw/zinc/14/40/94/194144094.db2.gz	ZRDULDSITSDCQB-RXGFPQBGSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000239432905	380706961	/nfs/dbraw/zinc/70/69/61/380706961.db2.gz	WVPFNBBQRHGUHM-RXGFPQBGSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
CCOC(=O)[C@](C)(O)CNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000095941796	382602178	/nfs/dbraw/zinc/60/21/78/382602178.db2.gz	LCOZZLXSKZWLON-GFCCVEGCSA-N	0	0	312.282	-0.185	50	5		DBBARN
CN1CCN(c2nc(N)c([N+](=O)[O-])c(N3CCOCC3)n2)CC1	ZINC000005182356	277113802	/nfs/dbraw/zinc/11/38/02/277113802.db2.gz	DRNLIUJRYCKPKB-UHFFFAOYSA-N	0	0	323.357	-0.445	50	5		DBBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN[C@@H](CCO)C1	ZINC000725373111	803930200	/nfs/dbraw/zinc/93/02/00/803930200.db2.gz	LRBLIACICMESCV-JTQLQIEISA-N	0	0	315.351	-0.060	50	5		DBBARN
O=[N+]([O-])c1cc(S(=O)(=O)NCCO)ccc1NCCO	ZINC000003878827	181051861	/nfs/dbraw/zinc/05/18/61/181051861.db2.gz	HTRXTPJGUAJJRT-UHFFFAOYSA-N	0	0	305.312	-0.730	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000003999699	181060687	/nfs/dbraw/zinc/06/06/87/181060687.db2.gz	WVPFNBBQRHGUHM-BNDIWNMDSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
CNC(=O)CN1CCC(NC(=O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000025235614	377217225	/nfs/dbraw/zinc/21/72/25/377217225.db2.gz	SKRFPPJZNPEYFC-UHFFFAOYSA-N	0	0	324.341	-0.882	50	5		DBBARN
O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1	ZINC000044170547	377886846	/nfs/dbraw/zinc/88/68/46/377886846.db2.gz	IXFOBQXJWRLXMD-DGORSVRFSA-N	0	0	317.319	-0.513	50	5		DBBARN
CCOc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000239347273	380706504	/nfs/dbraw/zinc/70/65/04/380706504.db2.gz	MPDNUJOEJNZQAA-FDYHWXHSSA-N	0	0	314.294	-0.156	50	5		DBBARN
Cn1ncc2c3nc(CCn4cnc([N+](=O)[O-])n4)nn3cnc21	ZINC000002802556	382634410	/nfs/dbraw/zinc/63/44/10/382634410.db2.gz	YRCWWJDINYPHAM-UHFFFAOYSA-N	0	0	314.269	-0.247	50	5		DBBARN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCNC(=O)c1cccnc1	ZINC000032365047	382645955	/nfs/dbraw/zinc/64/59/55/382645955.db2.gz	BTTBNOCWJCCZMZ-UHFFFAOYSA-N	0	0	318.293	-0.268	50	5		DBBARN
COC(=O)[C@H]1CSCN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000408515645	392525300	/nfs/dbraw/zinc/52/53/00/392525300.db2.gz	MWBWQJFXRVCTKB-MRVPVSSYSA-N	0	0	300.296	-0.134	50	5		DBBARN
Cc1ccc(N[C@@H]2O[C@H]([C@H](O)CO)[C@@H](O)[C@H]2O)cc1[N+](=O)[O-]	ZINC000239402667	393728744	/nfs/dbraw/zinc/72/87/44/393728744.db2.gz	QYGZBLQSDVTLBE-NZEXEKPDSA-N	0	0	314.294	-0.885	50	5		DBBARN
NC(=O)c1nnn(-c2nonc2N)c1-c1cccc([N+](=O)[O-])c1	ZINC000003664731	295199174	/nfs/dbraw/zinc/19/91/74/295199174.db2.gz	KZIVOEPCKXQCOD-UHFFFAOYSA-N	0	0	316.237	-0.093	50	5		DBBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN[C@H](CCO)C1	ZINC000725373112	803930013	/nfs/dbraw/zinc/93/00/13/803930013.db2.gz	LRBLIACICMESCV-SNVBAGLBSA-N	0	0	315.351	-0.060	50	5		DBBARN
O=C1OCC(CO)(CO)NC1=NNc1ccc([N+](=O)[O-])cc1	ZINC000006863350	190624985	/nfs/dbraw/zinc/62/49/85/190624985.db2.gz	SDFUDEGTLOJPRI-UHFFFAOYSA-N	0	0	310.266	-0.810	50	5		DBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CO)CC2)cc1	ZINC000017030657	190642607	/nfs/dbraw/zinc/64/26/07/190642607.db2.gz	JFSIZOZNEVDTNQ-UHFFFAOYSA-N	0	0	301.324	-0.149	50	5		DBBARN
COC(=O)CCNC(=O)CSc1ncc([N+](=O)[O-])c(N)n1	ZINC000521394962	412513678	/nfs/dbraw/zinc/51/36/78/412513678.db2.gz	IEHNVIOPMXYZSB-UHFFFAOYSA-N	0	0	315.311	-0.262	50	5		DBBARN
CN(C)S(=O)(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000020281544	182203413	/nfs/dbraw/zinc/20/34/13/182203413.db2.gz	SXEKZNZEWZNZJA-UHFFFAOYSA-N	0	0	309.325	-0.508	50	5		DBBARN
CCOc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000013471175	374387794	/nfs/dbraw/zinc/38/77/94/374387794.db2.gz	AMZORTHDRNMFTE-QNWHQSFQSA-N	0	0	314.294	-0.156	50	5	biogenic	DBBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nn1cnnc1	ZINC000000378025	374987838	/nfs/dbraw/zinc/98/78/38/374987838.db2.gz	RKZRDMOFMUTKSD-UHFFFAOYSA-N	0	0	316.233	-0.447	50	5		DBBARN
O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1	ZINC000106384566	375122014	/nfs/dbraw/zinc/12/20/14/375122014.db2.gz	IXFOBQXJWRLXMD-LVEVGFFFSA-N	0	0	317.319	-0.513	50	5		DBBARN
COCCn1c(=N)c(C(N)=O)cc2c1nc1ccccn1c2=O	ZINC000100093650	193794212	/nfs/dbraw/zinc/79/42/12/193794212.db2.gz	RKCGDRXFSBUDMT-UHFFFAOYSA-N	0	0	313.317	-0.126	50	5		DBBARN
Nn1c(=O)cnnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012080822	375699407	/nfs/dbraw/zinc/69/94/07/375699407.db2.gz	ABVRPUDLXANPIX-UHFFFAOYSA-N	0	0	322.306	-0.009	50	5		DBBARN
Nc1c(C(=O)N(CCO)CCO)cc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000014921048	376378929	/nfs/dbraw/zinc/37/89/29/376378929.db2.gz	MHXNSCPDNURUAX-UHFFFAOYSA-N	0	0	314.254	-0.488	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000048740369	183683984	/nfs/dbraw/zinc/68/39/84/183683984.db2.gz	ZRDULDSITSDCQB-PJSNJIKXSA-N	0	0	314.294	-0.885	50	5		DBBARN
CCOC(=O)[C@@](C)(O)CNc1ncc([N+](=O)[O-])cc1C(N)=O	ZINC000095941797	382603004	/nfs/dbraw/zinc/60/30/04/382603004.db2.gz	LCOZZLXSKZWLON-LBPRGKRZSA-N	0	0	312.282	-0.185	50	5		DBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@H]2CO)cc1	ZINC000725373220	803930294	/nfs/dbraw/zinc/93/02/94/803930294.db2.gz	DDFQZLZTOJNJJF-JTQLQIEISA-N	0	0	301.324	-0.450	50	5		DBBARN
CC(=O)/N=c1\sc([N+](=O)[O-])cn1CC(=O)N1CCOCC1	ZINC000071767326	191029067	/nfs/dbraw/zinc/02/90/67/191029067.db2.gz	PTYOYZRAYTZUSL-QXMHVHEDSA-N	0	0	314.323	-0.236	50	5		DBBARN
NC(=O)CC(=O)NCN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O	ZINC000004180525	181082502	/nfs/dbraw/zinc/08/25/02/181082502.db2.gz	IJVXGLWASBJUIL-UHFFFAOYSA-N	0	0	306.234	-0.860	50	5		DBBARN
O=C(COc1cccnc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1	ZINC000005637708	181267220	/nfs/dbraw/zinc/26/72/20/181267220.db2.gz	DNAXGPOVCHQZIL-QMMMGPOBSA-N	0	0	315.307	-0.328	50	5		DBBARN
NC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000372712572	138169583	/nfs/dbraw/zinc/16/95/83/138169583.db2.gz	HXXPKQLCOPZAOP-PEXQALLHSA-N	0	0	307.310	-0.096	50	5		DBBARN
Cc1nn(CC(=O)N[C@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-]	ZINC000006876265	181398894	/nfs/dbraw/zinc/39/88/94/181398894.db2.gz	LWAFDOMRHAFLCG-VIFPVBQESA-N	0	0	316.339	-0.289	50	5		DBBARN
O=C1OCC(CO)(CO)NC1=NNc1ccccc1[N+](=O)[O-]	ZINC000013146884	181834294	/nfs/dbraw/zinc/83/42/94/181834294.db2.gz	HRFUJFXTUJVSIE-UHFFFAOYSA-N	0	0	310.266	-0.810	50	5		DBBARN
CCOc1ccc(N[C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000013424951	374352937	/nfs/dbraw/zinc/35/29/37/374352937.db2.gz	MPDNUJOEJNZQAA-FVCCEPFGSA-N	0	0	314.294	-0.156	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000048740367	374574784	/nfs/dbraw/zinc/57/47/84/374574784.db2.gz	ZRDULDSITSDCQB-JZRPKSSGSA-N	0	0	314.294	-0.885	50	5		DBBARN
NS(=O)(=O)NC1CN(c2ncc([N+](=O)[O-])cc2Cl)C1	ZINC000585132644	374752796	/nfs/dbraw/zinc/75/27/96/374752796.db2.gz	IXEIROHWVBVKIZ-UHFFFAOYSA-N	0	0	307.719	-0.375	50	5		DBBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)NC[C@@H]1COCCN1	ZINC000236412764	375319808	/nfs/dbraw/zinc/31/98/08/375319808.db2.gz	BIDBKTBKHBGZDV-SECBINFHSA-N	0	0	301.324	-0.139	50	5		DBBARN
CCN1CCN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)CC1	ZINC000005516031	375322854	/nfs/dbraw/zinc/32/28/54/375322854.db2.gz	DXOHYHZLVFPMRK-UHFFFAOYSA-N	0	0	311.346	-0.487	50	5		DBBARN
COC(=O)[C@H](O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000089396159	380147475	/nfs/dbraw/zinc/14/74/75/380147475.db2.gz	AVMYPYGQJIKRSX-MRVPVSSYSA-N	0	0	304.280	-0.593	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000239432904	380706871	/nfs/dbraw/zinc/70/68/71/380706871.db2.gz	WVPFNBBQRHGUHM-QNWJLWSRSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
N=c1c(C(N)=O)cc2c(nc3ccccn3c2=O)n1CCCO	ZINC000100678679	381059889	/nfs/dbraw/zinc/05/98/89/381059889.db2.gz	GVCWLXWTGBLOLH-UHFFFAOYSA-N	0	0	313.317	-0.390	50	5		DBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(CCO)CC2)cc1	ZINC000019805492	392150508	/nfs/dbraw/zinc/15/05/08/392150508.db2.gz	RNYAOMARGHUJPJ-UHFFFAOYSA-N	0	0	315.351	-0.107	50	5		DBBARN
Cc1ccc(N[C@@H]2O[C@H]([C@H](O)CO)[C@H](O)[C@@H]2O)cc1[N+](=O)[O-]	ZINC000239402669	393728834	/nfs/dbraw/zinc/72/88/34/393728834.db2.gz	QYGZBLQSDVTLBE-UJPOAAIJSA-N	0	0	314.294	-0.885	50	5		DBBARN
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1c[nH]c(=O)[nH]c1=O	ZINC000000059044	331458744	/nfs/dbraw/zinc/45/87/44/331458744.db2.gz	AQEIWTPHXYGWNO-UHFFFAOYSA-N	0	0	302.202	-0.228	50	5		DBBARN
CCOc1ccc(N[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000003999712	181060631	/nfs/dbraw/zinc/06/06/31/181060631.db2.gz	AMZORTHDRNMFTE-YVECIDJPSA-N	0	0	314.294	-0.156	50	5	biogenic	DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O	ZINC000003999700	181060662	/nfs/dbraw/zinc/06/06/62/181060662.db2.gz	WVPFNBBQRHGUHM-NAWOPXAZSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
O=[N+]([O-])c1ccccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000004261921	181089096	/nfs/dbraw/zinc/08/90/96/181089096.db2.gz	SZAOZNVCHHBUDZ-RUXWNWLUSA-N	0	0	317.319	-0.513	50	5	in-vitro,metabolite	DBBARN
NC(=O)[C@@H]1[C@H]2CCC[C@@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000372712573	138169336	/nfs/dbraw/zinc/16/93/36/138169336.db2.gz	HXXPKQLCOPZAOP-QRTLGDNMSA-N	0	0	307.310	-0.096	50	5		DBBARN
NC(=O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)Cn1cc([N+](=O)[O-])cn1	ZINC000372712575	138169511	/nfs/dbraw/zinc/16/95/11/138169511.db2.gz	HXXPKQLCOPZAOP-XRNSZHNASA-N	0	0	307.310	-0.096	50	5		DBBARN
Cc1nn(CC(=O)NCCN2CCOCC2)c(C)c1[N+](=O)[O-]	ZINC000019288318	182112571	/nfs/dbraw/zinc/11/25/71/182112571.db2.gz	RGELYJOQVZPREK-UHFFFAOYSA-N	0	0	311.342	-0.143	50	5		DBBARN
Cn1c(=O)[nH]c(NCCCN2CCOCC2)c([N+](=O)[O-])c1=O	ZINC000019800878	182151848	/nfs/dbraw/zinc/15/18/48/182151848.db2.gz	ZGDJNGDVZOEARZ-UHFFFAOYSA-N	0	0	313.314	-0.884	50	5		DBBARN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@@H](CS(N)(=O)=O)C1	ZINC000071899630	374264375	/nfs/dbraw/zinc/26/43/75/374264375.db2.gz	WADAVQQCYFBHLZ-MRVPVSSYSA-N	0	0	303.344	-0.167	50	5		DBBARN
Cn1cnc([N+](=O)[O-])c1N1CCC[C@H](CS(N)(=O)=O)C1	ZINC000071899629	374265418	/nfs/dbraw/zinc/26/54/18/374265418.db2.gz	WADAVQQCYFBHLZ-QMMMGPOBSA-N	0	0	303.344	-0.167	50	5		DBBARN
O=[N+]([O-])c1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1	ZINC000106384564	375122561	/nfs/dbraw/zinc/12/25/61/375122561.db2.gz	IXFOBQXJWRLXMD-ROHXPCBUSA-N	0	0	317.319	-0.513	50	5		DBBARN
COc1ccc([N+](=O)[O-])cc1N(CC(N)=O)S(C)(=O)=O	ZINC000001075999	377224765	/nfs/dbraw/zinc/22/47/65/377224765.db2.gz	KBEZAEHIVAGAIJ-UHFFFAOYSA-N	0	0	303.296	-0.145	50	5		DBBARN
O=[N+]([O-])c1cc(NCCO)ccc1S(=O)(=O)NCCO	ZINC000075286141	379401765	/nfs/dbraw/zinc/40/17/65/379401765.db2.gz	IFCGLCTXTDUQHJ-UHFFFAOYSA-N	0	0	305.312	-0.730	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O	ZINC000138092875	380420829	/nfs/dbraw/zinc/42/08/29/380420829.db2.gz	WVPFNBBQRHGUHM-KSSYENDESA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
CNC(=S)NNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	ZINC000013102378	380463032	/nfs/dbraw/zinc/46/30/32/380463032.db2.gz	RCYKFKZJYGPQMJ-UHFFFAOYSA-N	0	0	305.341	-0.337	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O	ZINC000239377961	380706596	/nfs/dbraw/zinc/70/65/96/380706596.db2.gz	OGMMHVDSLPLLTH-SYLRKERUSA-N	0	0	314.294	-0.885	50	5		DBBARN
O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CCN1	ZINC000002513747	382616587	/nfs/dbraw/zinc/61/65/87/382616587.db2.gz	GLNRBIKEUMLHLH-JTQLQIEISA-N	0	0	315.307	-0.358	50	5		DBBARN
COc1ccc(N[C@@H]2O[C@H](CO)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000245231548	257259307	/nfs/dbraw/zinc/25/93/07/257259307.db2.gz	FWQYZYBZRPETDU-WRWGMCAJSA-N	0	0	300.267	-0.546	50	5	biogenic	DBBARN
O=c1c2cc3c(=O)n(-n4cnnc4)ccc3nc2ccn1CCO	ZINC000038829270	296528915	/nfs/dbraw/zinc/52/89/15/296528915.db2.gz	YSRTWJHSIRVEON-UHFFFAOYSA-N	0	0	324.300	-0.393	50	5		DBBARN
CN1CC2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)NC2=O	ZINC000004593551	277022808	/nfs/dbraw/zinc/02/28/08/277022808.db2.gz	ZSAHOMWWACFLPE-UHFFFAOYSA-N	0	0	304.262	-0.061	50	5		DBBARN
C[C@@H]1CN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000013769288	288274131	/nfs/dbraw/zinc/27/41/31/288274131.db2.gz	OPQBRJWKHIXXSO-OCAPTIKFSA-N	0	0	312.330	-0.015	50	5		DBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCNC[C@@H]2CO)cc1	ZINC000725373221	803929920	/nfs/dbraw/zinc/92/99/20/803929920.db2.gz	DDFQZLZTOJNJJF-SNVBAGLBSA-N	0	0	301.324	-0.450	50	5		DBBARN
NNS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1	ZINC000004854648	181163958	/nfs/dbraw/zinc/16/39/58/181163958.db2.gz	AZUGLFMLLVJEIJ-UHFFFAOYSA-N	0	0	300.296	-0.126	50	5		DBBARN
COC(=O)[C@@H]1C[C@@H](O)CN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000071897129	291521818	/nfs/dbraw/zinc/52/18/18/291521818.db2.gz	RJRHXNIDIBSDNO-PWSUYJOCSA-N	0	0	323.305	-0.198	50	5		DBBARN
CS(=O)(=O)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000020275218	182202662	/nfs/dbraw/zinc/20/26/62/182202662.db2.gz	FBHBVRZYHZUKMP-UHFFFAOYSA-N	0	0	323.352	-0.578	50	5		DBBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCO)CC1	ZINC000020508234	182225871	/nfs/dbraw/zinc/22/58/71/182225871.db2.gz	FFSXQCVHQOESDB-UHFFFAOYSA-N	0	0	315.351	-0.107	50	5		DBBARN
C[C@H]1CN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)C[C@H](C)O1	ZINC000005187346	375212586	/nfs/dbraw/zinc/21/25/86/375212586.db2.gz	OYGOAAYTUVCGOC-YUMQZZPRSA-N	0	0	312.330	-0.015	50	5		DBBARN
O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H]2COCCN2)cc1	ZINC000236407083	375319757	/nfs/dbraw/zinc/31/97/57/375319757.db2.gz	WGTXQPOQDQJHGG-SECBINFHSA-N	0	0	301.324	-0.139	50	5		DBBARN
O=C(Cn1nc([N+](=O)[O-])nc1Br)N1CCOCC1	ZINC000001084953	377227353	/nfs/dbraw/zinc/22/73/53/377227353.db2.gz	VGRPSDHHWMJSMX-UHFFFAOYSA-N	0	0	320.103	-0.192	50	5		DBBARN
CCOC(=O)C1=C(Cn2cc([N+](=O)[O-])ccc2=O)NC(=O)NC1	ZINC000031672165	377520261	/nfs/dbraw/zinc/52/02/61/377520261.db2.gz	OXVSJNIJCXOXDA-UHFFFAOYSA-N	0	0	322.277	-0.114	50	5		DBBARN
CCOc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000101278449	378494696	/nfs/dbraw/zinc/49/46/96/378494696.db2.gz	AMZORTHDRNMFTE-ZDEQEGDKSA-N	0	0	314.294	-0.156	50	5	biogenic	DBBARN
CN(CC(=O)NC1CC1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000026496144	379657523	/nfs/dbraw/zinc/65/75/23/379657523.db2.gz	FCJJPHNDJXAIMC-UHFFFAOYSA-N	0	0	308.294	-0.507	50	5		DBBARN
O=C(Cn1nccc1[N+](=O)[O-])N1CCN(C(=O)C2CC2)CC1	ZINC000057508764	184040409	/nfs/dbraw/zinc/04/04/09/184040409.db2.gz	NYKZGRLOBPSPRK-UHFFFAOYSA-N	0	0	307.310	-0.128	50	5		DBBARN
COc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000012384944	382560747	/nfs/dbraw/zinc/56/07/47/382560747.db2.gz	RSWFVIIFGFGSSP-YBUNMUDFSA-N	0	0	314.294	-0.157	50	5		DBBARN
O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2nc(=O)cnn12	ZINC000000076894	285193038	/nfs/dbraw/zinc/19/30/38/285193038.db2.gz	JVPBNYUWBWBCKN-WEVVVXLNSA-N	0	0	302.271	-0.033	50	5		DBBARN
O=c1[nH]c(=O)c2ccc3c(=O)n(CCO)c(=O)c4ccc1c2c43	ZINC000227116848	285195300	/nfs/dbraw/zinc/19/53/00/285195300.db2.gz	TWCXBXWZJZEFPK-UHFFFAOYSA-N	0	0	310.265	-0.416	50	5		DBBARN
NC(=O)c1nnn(-c2nonc2N)c1-c1ccc([N+](=O)[O-])cc1	ZINC000002189212	392000927	/nfs/dbraw/zinc/00/09/27/392000927.db2.gz	ZQWHYNXBERGPLL-UHFFFAOYSA-N	0	0	316.237	-0.093	50	5		DBBARN
Cc1c([N+](=O)[O-])cnn1CCC(=O)NCCN1CCOCC1	ZINC000020608535	301014903	/nfs/dbraw/zinc/01/49/03/301014903.db2.gz	ZMFKZDMTAXDEPO-UHFFFAOYSA-N	0	0	311.342	-0.062	50	5		DBBARN
Nc1nc(N2CCC[C@@H](Cc3nn[nH]n3)C2)ncc1[N+](=O)[O-]	ZINC000952992354	809012821	/nfs/dbraw/zinc/01/28/21/809012821.db2.gz	KKIIHCKZOJZECT-ZETCQYMHSA-N	0	0	305.302	-0.061	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@H]1O	ZINC000003999195	181060620	/nfs/dbraw/zinc/06/06/20/181060620.db2.gz	VCSKAKIULNIBRN-VEGXAWMVSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
O=C(COc1cccnc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1	ZINC000005637705	181267201	/nfs/dbraw/zinc/26/72/01/181267201.db2.gz	DNAXGPOVCHQZIL-MRVPVSSYSA-N	0	0	315.307	-0.328	50	5		DBBARN
O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@@H]1CCCCNC1=O	ZINC000178362670	198855538	/nfs/dbraw/zinc/85/55/38/198855538.db2.gz	ISYLTZKXXIERQL-SNVBAGLBSA-N	0	0	310.314	-0.241	50	5		DBBARN
O=C(NCCn1cc([N+](=O)[O-])cn1)N[C@H]1CCCCNC1=O	ZINC000178362682	375230192	/nfs/dbraw/zinc/23/01/92/375230192.db2.gz	ISYLTZKXXIERQL-JTQLQIEISA-N	0	0	310.314	-0.241	50	5		DBBARN
CCn1ncc(NC(=O)c2nn(C)cc2[N+](=O)[O-])c1C(N)=O	ZINC000002780976	378334636	/nfs/dbraw/zinc/33/46/36/378334636.db2.gz	LENKBVMFTMILCD-UHFFFAOYSA-N	0	0	307.270	-0.104	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H]([C@H](O)CO)[C@H](O)[C@@H]1O	ZINC000239377962	380706891	/nfs/dbraw/zinc/70/68/91/380706891.db2.gz	OGMMHVDSLPLLTH-UJPOAAIJSA-N	0	0	314.294	-0.885	50	5		DBBARN
Cc1ncc([N+](=O)[O-])n1Cc1nnc(S(C)(=O)=O)n1C	ZINC000012427677	382562841	/nfs/dbraw/zinc/56/28/41/382562841.db2.gz	MYOXRPLOXPQBJT-UHFFFAOYSA-N	0	0	300.300	-0.320	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O	ZINC000012657494	382566087	/nfs/dbraw/zinc/56/60/87/382566087.db2.gz	VCSKAKIULNIBRN-ZOLYEBIHSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
C[C@@H]1CN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])C[C@@H](C)O1	ZINC000005180495	392578476	/nfs/dbraw/zinc/57/84/76/392578476.db2.gz	OPQBRJWKHIXXSO-HTQZYQBOSA-N	0	0	312.330	-0.015	50	5		DBBARN
Cn1cnc([N+](=O)[O-])c1N1CCCN(S(C)(=O)=O)CC1	ZINC000012601699	294459653	/nfs/dbraw/zinc/45/96/53/294459653.db2.gz	OPLANXAENGBTOI-UHFFFAOYSA-N	0	0	303.344	-0.200	50	5		DBBARN
CCC(CNCC(CC)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000097972959	563506782	/nfs/dbraw/zinc/50/67/82/563506782.db2.gz	WZYADNPKBCHZSK-UHFFFAOYSA-N	0	0	309.235	-0.105	50	5		DBBARN
Cn1c(=O)c2c(Cl)c([N+](=O)[O-])c(=O)n(C)c2n(C)c1=O	ZINC000000158137	180710815	/nfs/dbraw/zinc/71/08/15/180710815.db2.gz	WHBAFUZNTAZXJY-UHFFFAOYSA-N	0	0	300.658	-0.503	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O	ZINC000048740366	374573493	/nfs/dbraw/zinc/57/34/93/374573493.db2.gz	ZRDULDSITSDCQB-IEECTRCBSA-N	0	0	314.294	-0.885	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000048740364	374574413	/nfs/dbraw/zinc/57/44/13/374574413.db2.gz	ZRDULDSITSDCQB-KIJLLGNVSA-N	0	0	314.294	-0.885	50	5		DBBARN
Nn1c(=O)cnnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012080823	375699605	/nfs/dbraw/zinc/69/96/05/375699605.db2.gz	NZKCSHZCLATDSA-UHFFFAOYSA-N	0	0	322.306	-0.009	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000105837008	194144452	/nfs/dbraw/zinc/14/44/52/194144452.db2.gz	ZRDULDSITSDCQB-NZEXEKPDSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O	ZINC000239432903	380706495	/nfs/dbraw/zinc/70/64/95/380706495.db2.gz	WVPFNBBQRHGUHM-NZEXEKPDSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
CN(NS(=O)(=O)CS(C)(=O)=O)c1ncccc1[N+](=O)[O-]	ZINC000012369228	382561077	/nfs/dbraw/zinc/56/10/77/382561077.db2.gz	MZIVIPXKXJMQGX-UHFFFAOYSA-N	0	0	324.340	-0.738	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@H]1O[C@H]([C@@H](O)CO)[C@H](O)[C@H]1O	ZINC000012657496	382565710	/nfs/dbraw/zinc/56/57/10/382565710.db2.gz	VCSKAKIULNIBRN-CLPYTZEMSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
CCn1cc(NC(=O)c2c([N+](=O)[O-])cnn2C)c(C(N)=O)n1	ZINC000002781417	382634119	/nfs/dbraw/zinc/63/41/19/382634119.db2.gz	LMLBDZPKCSDHJJ-UHFFFAOYSA-N	0	0	307.270	-0.104	50	5		DBBARN
COC(=O)c1c(NC(=O)Cn2cc([N+](=O)[O-])cn2)cnn1C	ZINC000002731110	382631054	/nfs/dbraw/zinc/63/10/54/382631054.db2.gz	SEKRVQWBXHLEFE-UHFFFAOYSA-N	0	0	308.254	-0.050	50	5		DBBARN
CCN1CCN(c2nc(NCCO)nc(N)c2[N+](=O)[O-])CC1	ZINC000004305992	382646473	/nfs/dbraw/zinc/64/64/73/382646473.db2.gz	OQEQGJIHXTULMM-UHFFFAOYSA-N	0	0	311.346	-0.487	50	5		DBBARN
Cc1cc([N+](=O)[O-])ccc1N[C@@H]1O[C@H]([C@H](O)CO)[C@@H](O)[C@H]1O	ZINC000245232400	257214948	/nfs/dbraw/zinc/21/49/48/257214948.db2.gz	VCSKAKIULNIBRN-NZEXEKPDSA-N	0	0	314.294	-0.885	50	5		DBBARN
O=[N+]([O-])c1ccccc1S[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000242677126	257259576	/nfs/dbraw/zinc/25/95/76/257259576.db2.gz	SZAOZNVCHHBUDZ-YHWNTIHCSA-N	0	0	317.319	-0.513	50	5		DBBARN
CCOc1ccc(N[C@@H]2OC[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000239274660	393728543	/nfs/dbraw/zinc/72/85/43/393728543.db2.gz	AMZORTHDRNMFTE-UMSGYPCISA-N	0	0	314.294	-0.156	50	5	biogenic	DBBARN
O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2nc(=O)cnn12	ZINC000015223812	280384598	/nfs/dbraw/zinc/38/45/98/280384598.db2.gz	JVPBNYUWBWBCKN-UITAMQMPSA-N	0	0	302.271	-0.033	50	5		DBBARN
Cc1nn(CC(=O)N[C@@H]2CCS(=O)(=O)C2)c(C)c1[N+](=O)[O-]	ZINC000003459012	181022949	/nfs/dbraw/zinc/02/29/49/181022949.db2.gz	LWAFDOMRHAFLCG-SECBINFHSA-N	0	0	316.339	-0.289	50	5		DBBARN
CCOc1ccc(N[C@H]2OC[C@@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000003999711	181060583	/nfs/dbraw/zinc/06/05/83/181060583.db2.gz	AMZORTHDRNMFTE-XQHKEYJVSA-N	0	0	314.294	-0.156	50	5	biogenic	DBBARN
C[C@@H]1CN(c2nc(N)c([N+](=O)[O-])c(NCCO)n2)C[C@H](C)O1	ZINC000013769770	374592510	/nfs/dbraw/zinc/59/25/10/374592510.db2.gz	OYGOAAYTUVCGOC-OCAPTIKFSA-N	0	0	312.330	-0.015	50	5		DBBARN
O=C(COc1cccc([N+](=O)[O-])c1)Nc1c[nH]c(=O)[nH]c1=O	ZINC000000110472	374931831	/nfs/dbraw/zinc/93/18/31/374931831.db2.gz	XSMSLPLZFFVUCA-UHFFFAOYSA-N	0	0	306.234	-0.011	50	5		DBBARN
O=C1NCCN1CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000000111176	374932180	/nfs/dbraw/zinc/93/21/80/374932180.db2.gz	DQBDDUAIBWTFOX-UHFFFAOYSA-N	0	0	314.323	-0.102	50	5		DBBARN
Cc1ccc([N+](=O)[O-])cc1N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O	ZINC000169682634	380595877	/nfs/dbraw/zinc/59/58/77/380595877.db2.gz	ZRDULDSITSDCQB-QNWJLWSRSA-N	0	0	314.294	-0.885	50	5	biogenic	DBBARN
COc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	ZINC000239403309	380706896	/nfs/dbraw/zinc/70/68/96/380706896.db2.gz	RSWFVIIFGFGSSP-LWRBDBMISA-N	0	0	314.294	-0.157	50	5		DBBARN
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1[C@@H]1CCC(=O)NC1=O	ZINC000006093856	285017284	/nfs/dbraw/zinc/01/72/84/285017284.db2.gz	KVRCAGKHAZRSQX-MRVPVSSYSA-N	0	0	303.230	-0.004	50	5		DBBARN
COc1ccc(N[C@@H]2OC[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	ZINC000101103378	411712301	/nfs/dbraw/zinc/71/23/01/411712301.db2.gz	PFSPYUUVLGJDSF-FIQHERPVSA-N	0	0	300.267	-0.546	50	5		DBBARN
O=C1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C(=O)N1	ZINC000089878833	280257318	/nfs/dbraw/zinc/25/73/18/280257318.db2.gz	GMBNHKLJBPOPGH-SSDOTTSWSA-N	0	0	317.261	-0.180	50	5		DBBARN