smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1	ZINC000003530987	530312264	/nfs/dbraw/zinc/31/22/64/530312264.db2.gz	BKDZGPMCAWWFFS-SECBINFHSA-N	0	0	376.774	0.708	50	5		GCBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1	ZINC000005708759	209611016	/nfs/dbraw/zinc/61/10/16/209611016.db2.gz	YLEGEVBEFFIQBR-AWEZNQCLSA-N	0	0	393.396	0.883	50	5		GCBARN
CCCCn1c(N)c(C(=S)NC(=O)c2ccc([N+](=O)[O-])o2)c(=O)n(C)c1=O	ZINC000002659582	209377296	/nfs/dbraw/zinc/37/72/96/209377296.db2.gz	WUDTWGWJSBCPFF-UHFFFAOYSA-N	0	0	395.397	0.536	50	5		GCBARN
CC[C@H]([C@@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046178	209292937	/nfs/dbraw/zinc/29/29/37/209292937.db2.gz	XSEYTKPCVQSNGO-ZIAGYGMSSA-N	0	0	392.412	0.871	50	5		GCBARN
CN(C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000006913214	204223707	/nfs/dbraw/zinc/22/37/07/204223707.db2.gz	URVRJYLSUVXWBC-GJBLVYBDSA-N	0	0	382.394	0.797	50	5	in-vitro	GCBARN
O=C(Nc1nc[nH]n1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000009698578	204320302	/nfs/dbraw/zinc/32/03/02/204320302.db2.gz	DUPLIRXATRWFQM-UHFFFAOYSA-N	0	0	380.386	0.752	50	5		GCBARN
O=C(c1cc([N+](=O)[O-])c[nH]c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	ZINC000014235008	204529257	/nfs/dbraw/zinc/52/92/57/204529257.db2.gz	ISQVWJFBIHFPKF-UHFFFAOYSA-N	0	0	392.393	0.430	50	5		GCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1N1CCCC1	ZINC000006144714	205818965	/nfs/dbraw/zinc/81/89/65/205818965.db2.gz	BWZSVIRRRQDPQS-LLVKDONJSA-N	0	0	389.455	0.660	50	5		GCBARN
COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1NCCOCCS(N)(=O)=O	ZINC000241693927	206128932	/nfs/dbraw/zinc/12/89/32/206128932.db2.gz	QIWKRMLUKQNKCY-UHFFFAOYSA-N	0	0	381.794	0.752	50	5		GCBARN
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCO	ZINC000100895240	211392251	/nfs/dbraw/zinc/39/22/51/211392251.db2.gz	JVHSQVJMKHPCOE-LBPRGKRZSA-N	0	0	383.408	0.030	50	5		GCBARN
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCOC)c1=N	ZINC000100627903	211389559	/nfs/dbraw/zinc/38/95/59/211389559.db2.gz	JAVQIGGGXODZSE-UHFFFAOYSA-N	0	0	385.424	0.541	50	5		GCBARN
Nc1ncc([N+](=O)[O-])cc1C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1	ZINC000095469369	211245241	/nfs/dbraw/zinc/24/52/41/211245241.db2.gz	XODNGWXRDBJHSB-UHFFFAOYSA-N	0	0	398.379	0.074	50	5		GCBARN
O=C(NCCCN1CCOCC1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000015934678	136201923	/nfs/dbraw/zinc/20/19/23/136201923.db2.gz	OSFXUDRUKNNMEO-UHFFFAOYSA-N	0	0	378.429	0.884	50	5		GCBARN
CNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000000727953	570262975	/nfs/dbraw/zinc/26/29/75/570262975.db2.gz	RDSWPTDOMAJTAH-UHFFFAOYSA-N	0	0	396.451	0.211	50	5		GCBARN
C[C@H]1CCCN(CN2c3ccccc3C3(OCC(CO)([N+](=O)[O-])CO3)C2=O)C1	ZINC000000784125	570328641	/nfs/dbraw/zinc/32/86/41/570328641.db2.gz	RFUUEWFNHZZBRC-YCMKEVRSSA-N	0	0	391.424	0.930	50	5		GCBARN
COC(=O)c1ccc(OCC(=O)N[C@@]2(C)CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000024938127	570361993	/nfs/dbraw/zinc/36/19/93/570361993.db2.gz	WVVBYLMCQHMFFZ-HNNXBMFYSA-N	0	0	386.382	0.454	50	5		GCBARN
CCCCn1c2cc3c(=O)n(C)c(=O)n(CCCC)c3nc2c(=O)n(C)c1=O	ZINC000006430099	570412547	/nfs/dbraw/zinc/41/25/47/570412547.db2.gz	KIQSAZRVHCPYEC-UHFFFAOYSA-N	0	0	387.440	0.709	50	5		GCBARN
NS(=O)(=O)c1ccc(OCCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	ZINC000025398737	570749102	/nfs/dbraw/zinc/74/91/02/570749102.db2.gz	RRVPEOUYXIQHOP-UHFFFAOYSA-N	0	0	391.361	0.917	50	5		GCBARN
CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCS(=O)(=O)C1	ZINC000021840016	570750227	/nfs/dbraw/zinc/75/02/27/570750227.db2.gz	OMNLMVWEONIDLA-GHMZBOCLSA-N	0	0	387.414	0.514	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1C(=O)N1CCOCC1	ZINC000032876248	570872389	/nfs/dbraw/zinc/87/23/89/570872389.db2.gz	SAQYLANMPVJTCH-AWEZNQCLSA-N	0	0	383.426	0.915	50	5		GCBARN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nn[nH]n1	ZINC000097102718	570893755	/nfs/dbraw/zinc/89/37/55/570893755.db2.gz	UUNKVQIMZVNMLS-JTQLQIEISA-N	0	0	397.417	0.344	50	5		GCBARN
CN(Cc1cnn(C)c1)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000024585726	570916059	/nfs/dbraw/zinc/91/60/59/570916059.db2.gz	FMBNJCHIBYFXLJ-UHFFFAOYSA-N	0	0	395.441	0.986	50	5		GCBARN
O=C(C[C@@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000023230093	570989239	/nfs/dbraw/zinc/98/92/39/570989239.db2.gz	ZQYKLUKRYPGMRQ-OAHLLOKOSA-N	0	0	380.401	0.689	50	5		GCBARN
CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](O)[C@@H]2O1	ZINC000019891265	1199846790	/nfs/dbraw/zinc/84/67/90/1199846790.db2.gz	JOSZNIQNSXHFKQ-NDKCEZKHSA-N	0	0	385.329	0.513	50	5		GCBARN
COC(=O)C1(NC(=O)COc2ccccc2[N+](=O)[O-])CCS(=O)(=O)CC1	ZINC000095410805	1199868452	/nfs/dbraw/zinc/86/84/52/1199868452.db2.gz	LQCBMQOFIWHSSU-UHFFFAOYSA-N	0	0	386.382	0.210	50	5		GCBARN
CN1CCO[C@H](CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1	ZINC000058151617	1200046788	/nfs/dbraw/zinc/04/67/88/1200046788.db2.gz	JBERFTLVFDSHHW-CYBMUJFWSA-N	0	0	378.385	0.730	50	5		GCBARN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2[C@H](C)O1	ZINC000009009863	1200303625	/nfs/dbraw/zinc/30/36/25/1200303625.db2.gz	FQYREZYGRNGXNE-VMLMSMNQSA-N	0	0	388.380	0.828	50	5		GCBARN
COc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1[N+](=O)[O-]	ZINC000009631222	1200392361	/nfs/dbraw/zinc/39/23/61/1200392361.db2.gz	JEDQKLKKMIJBNT-UHFFFAOYSA-N	0	0	397.365	0.572	50	5		GCBARN
Cc1nn(CC(=O)NN2C(=O)N[C@](C)(c3ccccc3)C2=O)c(C)c1[N+](=O)[O-]	ZINC000009824196	1200401149	/nfs/dbraw/zinc/40/11/49/1200401149.db2.gz	VEERDZZCCQHFHC-QGZVFWFLSA-N	0	0	386.368	0.907	50	5		GCBARN
CCOc1ccc(NC(=O)C[C@H]([NH2+]CCOCCO)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000010434214	1200419931	/nfs/dbraw/zinc/41/99/31/1200419931.db2.gz	VUSGBSNVJVFKLE-ZDUSSCGKSA-N	0	0	385.373	0.374	50	5		GCBARN
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCCCN1CCOCC1	ZINC000019288283	210238684	/nfs/dbraw/zinc/23/86/84/210238684.db2.gz	XYYLHEVMIUJWSD-UHFFFAOYSA-N	0	0	390.238	0.701	50	5		GCBARN
O=C([C@@H]1CCCO1)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1	ZINC000012873485	210020752	/nfs/dbraw/zinc/02/07/52/210020752.db2.gz	HAOOQGLQUPZCKE-HNNXBMFYSA-N	0	0	376.369	0.783	50	5		GCBARN
C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012809991	210013143	/nfs/dbraw/zinc/01/31/43/210013143.db2.gz	YKCDABSKBCLRQT-GXFFZTMASA-N	0	0	385.398	0.889	50	5		GCBARN
C[C@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012757226	210003298	/nfs/dbraw/zinc/00/32/98/210003298.db2.gz	VPGWPSJDNKDDQA-GXFFZTMASA-N	0	0	385.398	0.889	50	5		GCBARN
CS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000010044490	209851248	/nfs/dbraw/zinc/85/12/48/209851248.db2.gz	VQXPHRQLZLTDDC-UHFFFAOYSA-N	0	0	377.444	0.516	50	5		GCBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@@H]1CCCO1)S(C)(=O)=O	ZINC000002872063	209392932	/nfs/dbraw/zinc/39/29/32/209392932.db2.gz	GMIIOHCQBJIGMI-LBPRGKRZSA-N	0	0	387.414	0.665	50	5		GCBARN
CC[C@H]([C@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046180	209292336	/nfs/dbraw/zinc/29/23/36/209292336.db2.gz	XSEYTKPCVQSNGO-KGLIPLIRSA-N	0	0	392.412	0.871	50	5		GCBARN
Cn1c(=O)c2c(SCCO)nc(-c3cccc([N+](=O)[O-])c3)nc2n(C)c1=O	ZINC000009517608	209276296	/nfs/dbraw/zinc/27/62/96/209276296.db2.gz	AKWWCXDMHGKLMW-UHFFFAOYSA-N	0	0	389.393	0.687	50	5		GCBARN
CC1(C)NC(=O)N(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O	ZINC000006201897	204169728	/nfs/dbraw/zinc/16/97/28/204169728.db2.gz	NZDVPFHDEYJHCX-UHFFFAOYSA-N	0	0	375.385	0.574	50	5		GCBARN
COC[C@H](COCCCNC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21)OC	ZINC000015745618	204575366	/nfs/dbraw/zinc/57/53/66/204575366.db2.gz	NZJILIKUHKBSAA-GFCCVEGCSA-N	0	0	387.414	0.701	50	5		GCBARN
COc1cccc(C(=O)NCCNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c1	ZINC000026373466	205998744	/nfs/dbraw/zinc/99/87/44/205998744.db2.gz	CMTFRJACXFFKMC-UHFFFAOYSA-N	0	0	375.385	0.963	50	5		GCBARN
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCO[C@H](c3ncon3)C1)OCCO2	ZINC000097084782	211356602	/nfs/dbraw/zinc/35/66/02/211356602.db2.gz	KUDQKIRBFUJFQG-LBPRGKRZSA-N	0	0	398.353	0.511	50	5		GCBARN
NS(=O)(=O)C[C@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000095461735	211244028	/nfs/dbraw/zinc/24/40/28/211244028.db2.gz	CQWIUZHRWGLTHV-SECBINFHSA-N	0	0	383.835	0.690	50	5		GCBARN
CN(C(=O)CNc1cc([N+](=O)[O-])ccc1NCCO)[C@@H]1CCS(=O)(=O)C1	ZINC000058033568	210905011	/nfs/dbraw/zinc/90/50/11/210905011.db2.gz	PWUXMKLQFJZFTF-GFCCVEGCSA-N	0	0	386.430	0.056	50	5		GCBARN
CCN(CC)S(=O)(=O)c1ccc(N2CCN(C(N)=O)CC2)c([N+](=O)[O-])c1	ZINC000095947244	136182594	/nfs/dbraw/zinc/18/25/94/136182594.db2.gz	LEZMNLBIPTXHFH-UHFFFAOYSA-N	0	0	385.446	0.826	50	5		GCBARN
O=C(CCn1ccnn1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000024768713	570293231	/nfs/dbraw/zinc/29/32/31/570293231.db2.gz	FWCZVOBNUNQVRJ-UHFFFAOYSA-N	0	0	394.413	0.110	50	5		GCBARN
COC(=O)C1=NNC(C(=O)OC)=C2CO[C@H](c3ccc([N+](=O)[O-])cc3)OC[C@H]12	ZINC000006878974	570670076	/nfs/dbraw/zinc/67/00/76/570670076.db2.gz	ZYWVWHSFPFMQEF-APPDUMDISA-N	0	0	391.336	0.816	50	5		GCBARN
CCCCn1c2nc(Cn3cc([N+](=O)[O-])ccc3=O)n(CC)c2c(=O)[nH]c1=O	ZINC000032788862	570810902	/nfs/dbraw/zinc/81/09/02/570810902.db2.gz	BEONUZSWZVSUTJ-UHFFFAOYSA-N	0	0	388.384	0.825	50	5		GCBARN
Cn1c2[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2c(=O)n(C)c1=O	ZINC000006017109	570814246	/nfs/dbraw/zinc/81/42/46/570814246.db2.gz	GYPQPTDHTHHINI-UHFFFAOYSA-N	0	0	378.326	0.928	50	5		GCBARN
CC(=O)N[C@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000239274984	570825386	/nfs/dbraw/zinc/82/53/86/570825386.db2.gz	BAQKZBVEURTTFC-YIDVYQOGSA-N	0	0	382.369	0.716	50	5		GCBARN
C[C@@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CC1	ZINC000012739760	570981735	/nfs/dbraw/zinc/98/17/35/570981735.db2.gz	RTXREBAOXLVXRE-DTWKUNHWSA-N	0	0	375.337	0.790	50	5		GCBARN
C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012757220	571009069	/nfs/dbraw/zinc/00/90/69/571009069.db2.gz	VPGWPSJDNKDDQA-ZWNOBZJWSA-N	0	0	385.398	0.889	50	5		GCBARN
Nc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000055345467	1199712338	/nfs/dbraw/zinc/71/23/38/1199712338.db2.gz	YUPSCLZEADHYEX-UHFFFAOYSA-N	0	0	379.333	0.669	50	5		GCBARN
CN(C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000008723497	1200253319	/nfs/dbraw/zinc/25/33/19/1200253319.db2.gz	JHKQMSSKDAWUJZ-CQSZACIVSA-N	0	0	396.469	0.606	50	5		GCBARN
NS(=O)(=O)c1ccc(NC2CCN(CC(=O)NC3CC3)CC2)c([N+](=O)[O-])c1	ZINC000040122899	1200299987	/nfs/dbraw/zinc/29/99/87/1200299987.db2.gz	VUSILRFLYDTETB-UHFFFAOYSA-N	0	0	397.457	0.397	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1OC	ZINC000040114919	1200300411	/nfs/dbraw/zinc/30/04/11/1200300411.db2.gz	RVDFFWAYWIHBMA-STQMWFEESA-N	0	0	399.425	0.202	50	5		GCBARN
C[S@@](=O)c1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000022288842	530926052	/nfs/dbraw/zinc/92/60/52/530926052.db2.gz	HREUPMZUQWWNDI-WBNWAKSLSA-N	0	0	392.480	0.728	50	5		GCBARN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000040115105	530979571	/nfs/dbraw/zinc/97/95/71/530979571.db2.gz	QZLTVBOEDCOEMC-ZWNOBZJWSA-N	0	0	375.353	0.463	50	5		GCBARN
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC[C@H]1CCCO1)S(C)(=O)=O	ZINC000002872062	209394357	/nfs/dbraw/zinc/39/43/57/209394357.db2.gz	GMIIOHCQBJIGMI-GFCCVEGCSA-N	0	0	387.414	0.665	50	5		GCBARN
Cn1cc([N+](=O)[O-])cc1C(=O)NCC(=O)N1CCN(C(=O)c2ccco2)CC1	ZINC000009912359	209319888	/nfs/dbraw/zinc/31/98/88/209319888.db2.gz	WRXDHHSKIICKHH-UHFFFAOYSA-N	0	0	389.368	0.241	50	5		GCBARN
CNS(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)NC)ccc21	ZINC000001115283	209302667	/nfs/dbraw/zinc/30/26/67/209302667.db2.gz	JUHOUOZQNUDEPK-UHFFFAOYSA-N	0	0	382.419	0.762	50	5		GCBARN
CCn1c(=N)c(C(=O)N2CCN(C)CC2)cc2c1nc1c(C)cccn1c2=O	ZINC000000788815	209265476	/nfs/dbraw/zinc/26/54/76/209265476.db2.gz	SSJFRROAMNYQEL-UHFFFAOYSA-N	0	0	380.452	0.845	50	5		GCBARN
C[C@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CCN1S(C)(=O)=O	ZINC000004687282	204064417	/nfs/dbraw/zinc/06/44/17/204064417.db2.gz	NEGZAXIAGRBQFG-ZDUSSCGKSA-N	0	0	384.458	0.902	50	5		GCBARN
O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N(CCO)CCO)c1ccco1	ZINC000004976747	204098954	/nfs/dbraw/zinc/09/89/54/204098954.db2.gz	SFVDKUSAGVBIJK-QINSGFPZSA-N	0	0	389.364	0.772	50	5		GCBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)NC[C@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC000005943755	204159354	/nfs/dbraw/zinc/15/93/54/204159354.db2.gz	MNSAQJWFGCITEM-CYBMUJFWSA-N	0	0	379.369	0.471	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-]	ZINC000009636990	204318439	/nfs/dbraw/zinc/31/84/39/204318439.db2.gz	GSIJBYRNIPLRPN-UHFFFAOYSA-N	0	0	379.398	0.904	50	5		GCBARN
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(CN3CCOC3=S)CC2)c1	ZINC000012893460	204460738	/nfs/dbraw/zinc/46/07/38/204460738.db2.gz	FNVRIFAUKZYEQY-UHFFFAOYSA-N	0	0	386.455	0.476	50	5		GCBARN
COC(=O)[C@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000095453157	205460830	/nfs/dbraw/zinc/46/08/30/205460830.db2.gz	QNGBYUKUWNAPMW-UONOGXRCSA-N	0	0	379.369	0.158	50	5		GCBARN
NC(=O)c1ccc(SCC(=O)OCC(=O)N2CCCC2=O)c([N+](=O)[O-])c1	ZINC000013001082	205884604	/nfs/dbraw/zinc/88/46/04/205884604.db2.gz	DJPHYQWDFRVEJE-UHFFFAOYSA-N	0	0	381.366	0.478	50	5		GCBARN
O=C1N(CN2CCCCC2)c2ccccc2C12OCC(CO)([N+](=O)[O-])CO2	ZINC000016524577	211216178	/nfs/dbraw/zinc/21/61/78/211216178.db2.gz	QZNIOSAKCOSXMH-UHFFFAOYSA-N	0	0	377.397	0.684	50	5		GCBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCOCC3)C2)cc1[N+](=O)[O-]	ZINC000023187557	210435594	/nfs/dbraw/zinc/43/55/94/210435594.db2.gz	MLQNMXOBSFBUMS-UHFFFAOYSA-N	0	0	398.441	0.026	50	5		GCBARN
CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1	ZINC000019830956	210299976	/nfs/dbraw/zinc/29/99/76/210299976.db2.gz	ZRAJYMGQAUPGEI-UHFFFAOYSA-N	0	0	386.474	0.740	50	5		GCBARN
C[C@@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000012554570	221206045	/nfs/dbraw/zinc/20/60/45/221206045.db2.gz	SRQVZJJQVCAHDR-ZYHUDNBSSA-N	0	0	399.425	0.509	50	5		GCBARN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)NC[C@@H]2CCCO2)CC1	ZINC000040083079	132394330	/nfs/dbraw/zinc/39/43/30/132394330.db2.gz	CMOFYPDPSJEWKU-ZDUSSCGKSA-N	0	0	377.401	0.600	50	5		GCBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	ZINC000008993677	136196989	/nfs/dbraw/zinc/19/69/89/136196989.db2.gz	XDSVYRGPAXVUJP-KBXCAEBGSA-N	0	0	388.380	0.831	50	5		GCBARN
Cc1cnn(CC(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1	ZINC000048254078	570227148	/nfs/dbraw/zinc/22/71/48/570227148.db2.gz	LYGOSFMDUXXKFX-UHFFFAOYSA-N	0	0	381.414	0.732	50	5		GCBARN
O=C(CSc1nc2c(cnn2CCO)c(=O)[nH]1)Nc1cccc([N+](=O)[O-])c1	ZINC000015881231	570282780	/nfs/dbraw/zinc/28/27/80/570282780.db2.gz	SFUMBCJUMAXBNJ-UHFFFAOYSA-N	0	0	390.381	0.751	50	5		GCBARN
Cn1cc([N+](=O)[O-])c(C(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)n1	ZINC000015931163	570294234	/nfs/dbraw/zinc/29/42/34/570294234.db2.gz	JZILAINBFVZBDN-UHFFFAOYSA-N	0	0	395.397	0.602	50	5		GCBARN
O=c1ccn(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000023408848	570361208	/nfs/dbraw/zinc/36/12/08/570361208.db2.gz	MBVLCNJYYQMLTB-UHFFFAOYSA-N	0	0	378.410	0.721	50	5		GCBARN
C[C@@H](OC(=O)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCOCC1	ZINC000011778433	570434791	/nfs/dbraw/zinc/43/47/91/570434791.db2.gz	JAWABBDKNQFOJW-NWDGAFQWSA-N	0	0	379.369	0.504	50	5		GCBARN
Cn1c2ncn(CC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000000851801	570662712	/nfs/dbraw/zinc/66/27/12/570662712.db2.gz	MQAWLTNHHQIMIB-UHFFFAOYSA-N	0	0	376.304	0.120	50	5	biogenic	GCBARN
CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCS(=O)(=O)C1	ZINC000021840024	570750176	/nfs/dbraw/zinc/75/01/76/570750176.db2.gz	OMNLMVWEONIDLA-QWRGUYRKSA-N	0	0	387.414	0.514	50	5		GCBARN
O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1	ZINC000005824900	570794823	/nfs/dbraw/zinc/79/48/23/570794823.db2.gz	NAJWQVNIZQLRIU-AWEZNQCLSA-N	0	0	379.369	0.553	50	5		GCBARN
CCOC(=O)c1cc(C(=O)NCCS(=O)(=O)NC2CC2)cc([N+](=O)[O-])c1	ZINC000032814653	570835140	/nfs/dbraw/zinc/83/51/40/570835140.db2.gz	NPHNYOPXJAUFHD-UHFFFAOYSA-N	0	0	385.398	0.583	50	5		GCBARN
NC(=O)c1ccc(N2CCN(S(=O)(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000012537576	570837132	/nfs/dbraw/zinc/83/71/32/570837132.db2.gz	LKMOZOYGAVSTRR-UHFFFAOYSA-N	0	0	383.430	0.156	50	5		GCBARN
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000004575238	570894196	/nfs/dbraw/zinc/89/41/96/570894196.db2.gz	AXBWNEUGRWWIOX-UHFFFAOYSA-N	0	0	384.458	0.903	50	5		GCBARN
CC(=O)N[C@@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000004042676	570924405	/nfs/dbraw/zinc/92/44/05/570924405.db2.gz	BAQKZBVEURTTFC-OXGONZEZSA-N	0	0	382.369	0.716	50	5	biogenic	GCBARN
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCOC)c1=N	ZINC000100627904	570949479	/nfs/dbraw/zinc/94/94/79/570949479.db2.gz	SJASVSGQOQAMCB-UHFFFAOYSA-N	0	0	399.451	0.850	50	5		GCBARN
O=C(CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)OCC(=O)N1CCCC1=O	ZINC000020921418	1199884104	/nfs/dbraw/zinc/88/41/04/1199884104.db2.gz	GDXKEWGQNHJRLC-UHFFFAOYSA-N	0	0	383.744	0.670	50	5		GCBARN
Cc1cccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)c1[N+](=O)[O-]	ZINC000003412838	1200049373	/nfs/dbraw/zinc/04/93/73/1200049373.db2.gz	VHKWJOBKYLPLRL-UHFFFAOYSA-N	0	0	381.366	0.872	50	5		GCBARN
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCc1ccco1	ZINC000008643609	1200245888	/nfs/dbraw/zinc/24/58/88/1200245888.db2.gz	LRRJQVWMFHWPGK-UHFFFAOYSA-N	0	0	387.304	0.643	50	5		GCBARN
CCCNC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009049328	1200310049	/nfs/dbraw/zinc/31/00/49/1200310049.db2.gz	DUBJDKHJMODNAS-UHFFFAOYSA-N	0	0	387.414	0.521	50	5		GCBARN
CCOC(=O)C1=C(Cn2cc([N+](=O)[O-])cn2)NC(=O)N[C@@H]1c1cnn(CC)c1	ZINC000017079450	210203107	/nfs/dbraw/zinc/20/31/07/210203107.db2.gz	GGXLOYKSCGCFAD-CQSZACIVSA-N	0	0	389.372	0.879	50	5		GCBARN
Cn1c2nc3n(cc(-c4ccc([N+](=O)[O-])cc4)n3CCO)c2c(=O)n(C)c1=O	ZINC000013758239	210088393	/nfs/dbraw/zinc/08/83/93/210088393.db2.gz	WDPQRIOFRMHKRY-UHFFFAOYSA-N	0	0	384.352	0.254	50	5		GCBARN
C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012757206	210002983	/nfs/dbraw/zinc/00/29/83/210002983.db2.gz	VPGWPSJDNKDDQA-MFKMUULPSA-N	0	0	385.398	0.889	50	5		GCBARN
CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)c([N+](=O)[O-])c1	ZINC000005700823	209609586	/nfs/dbraw/zinc/60/95/86/209609586.db2.gz	WJGAIRLDGUAKGZ-HNNXBMFYSA-N	0	0	383.426	0.826	50	5		GCBARN
Cn1cc(I)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1	ZINC000002771006	209383911	/nfs/dbraw/zinc/38/39/11/209383911.db2.gz	AXKDGVQCIUNYHR-UHFFFAOYSA-N	0	0	390.141	0.559	50	5		GCBARN
COC(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788660	209265005	/nfs/dbraw/zinc/26/50/05/209265005.db2.gz	CTIJTKUJGTVFQY-UHFFFAOYSA-N	0	0	383.408	0.247	50	5		GCBARN
COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000000719643	209262050	/nfs/dbraw/zinc/26/20/50/209262050.db2.gz	NPDSZMARWCVHQD-ZDUSSCGKSA-N	0	0	386.364	0.997	50	5		GCBARN
COc1ccc(Cc2nn3c(nc4ccccc4c3=O)n(N)c2=O)cc1OC	ZINC000000707790	209260903	/nfs/dbraw/zinc/26/09/03/209260903.db2.gz	YOCIZZTUQRMCNC-UHFFFAOYSA-N	0	0	379.376	0.726	50	5		GCBARN
Cc1ccc(NC(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)cc1[N+](=O)[O-]	ZINC000009126548	203839495	/nfs/dbraw/zinc/83/94/95/203839495.db2.gz	YGDYMHLKTCZKGH-UHFFFAOYSA-N	0	0	378.341	0.715	50	5		GCBARN
COC(=O)C1=NNC(C(=O)OC)=C2CO[C@H](c3ccc([N+](=O)[O-])cc3)OC[C@@H]12	ZINC000006878976	204219012	/nfs/dbraw/zinc/21/90/12/204219012.db2.gz	ZYWVWHSFPFMQEF-PIGZYNQJSA-N	0	0	391.336	0.816	50	5		GCBARN
COc1ccnc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000008945655	204294728	/nfs/dbraw/zinc/29/47/28/204294728.db2.gz	ZOZSOIKRUZYDIS-UHFFFAOYSA-N	0	0	379.398	0.904	50	5		GCBARN
O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)N2CCOCC2)CC1	ZINC000009192161	204301918	/nfs/dbraw/zinc/30/19/18/204301918.db2.gz	VWVLVKWFZOSAGH-UHFFFAOYSA-N	0	0	390.849	0.947	50	5		GCBARN
CCNc1ccc(C(=O)OCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000009612802	204318423	/nfs/dbraw/zinc/31/84/23/204318423.db2.gz	CAKOKANUKDZAMO-LLVKDONJSA-N	0	0	385.398	0.487	50	5		GCBARN
CCS(=O)(=O)N1CCN(CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])CC1	ZINC000013960384	204520019	/nfs/dbraw/zinc/52/00/19/204520019.db2.gz	TURMNCJGTXWZAU-UHFFFAOYSA-N	0	0	386.430	0.509	50	5		GCBARN
CCc1cc([N+](=O)[O-])c(NC[C@H](O)[C@H](O)[C@@H](O)CO)cc1Br	ZINC000019878076	204688993	/nfs/dbraw/zinc/68/89/93/204688993.db2.gz	YGJQWVWPZJXXGY-AVGNSLFASA-N	0	0	379.207	0.407	50	5		GCBARN
CS(=O)(=O)NC[C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000032824088	211942670	/nfs/dbraw/zinc/94/26/70/211942670.db2.gz	GVUJXRGUKABLCC-NSHDSACASA-N	0	0	377.444	0.687	50	5		GCBARN
O=C(C[C@H]([NH2+]CCCN1CCOCC1)C(=O)[O-])Nc1cccc([N+](=O)[O-])c1	ZINC000023230096	211789091	/nfs/dbraw/zinc/78/90/91/211789091.db2.gz	ZQYKLUKRYPGMRQ-HNNXBMFYSA-N	0	0	380.401	0.689	50	5		GCBARN
COC1(C)CN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])C1	ZINC000095980897	211291378	/nfs/dbraw/zinc/29/13/78/211291378.db2.gz	SLAAQMFDKCGLKE-UHFFFAOYSA-N	0	0	384.458	0.756	50	5		GCBARN
O=C1CCCCN1COc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000095460189	211244780	/nfs/dbraw/zinc/24/47/80/211244780.db2.gz	NXOUTBCCUHVBHT-UHFFFAOYSA-N	0	0	399.425	0.965	50	5		GCBARN
COc1ccc([N+](=O)[O-])cc1OCC(=O)NCc1ccc(S(N)(=O)=O)cc1	ZINC000024848230	570313621	/nfs/dbraw/zinc/31/36/21/570313621.db2.gz	GIGOKQNVDJIGAI-UHFFFAOYSA-N	0	0	395.393	0.946	50	5		GCBARN
COC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788662	570330695	/nfs/dbraw/zinc/33/06/95/570330695.db2.gz	PCAUITFFVBERLN-UHFFFAOYSA-N	0	0	397.435	0.556	50	5		GCBARN
CC(=O)N[C@@H]1[C@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@@H]2[C@H]1O	ZINC000247945290	570430976	/nfs/dbraw/zinc/43/09/76/570430976.db2.gz	OOFFXOCMFXFNIN-JSRQGNBESA-N	0	0	396.396	0.853	50	5	biogenic	GCBARN
CC(=O)N[C@H]1[C@@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@H]1OCc1ccc([N+](=O)[O-])cc1	ZINC000247944374	570430991	/nfs/dbraw/zinc/43/09/91/570430991.db2.gz	OOFFXOCMFXFNIN-BPKGMFCQSA-N	0	0	396.396	0.853	50	5	biogenic	GCBARN
Cc1n[nH]c(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)n1	ZINC000089497119	570455925	/nfs/dbraw/zinc/45/59/25/570455925.db2.gz	OUXNZZRZBLBTHM-UHFFFAOYSA-N	0	0	396.429	0.697	50	5		GCBARN
O=C(NCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12	ZINC000035894309	570474224	/nfs/dbraw/zinc/47/42/24/570474224.db2.gz	UTIKMIPDLCKRHU-WMZOPIPTSA-N	0	0	390.440	0.421	50	5		GCBARN
O=C(NCCN1CCOCC1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12	ZINC000035894305	570474247	/nfs/dbraw/zinc/47/42/47/570474247.db2.gz	UTIKMIPDLCKRHU-FUHWJXTLSA-N	0	0	390.440	0.421	50	5		GCBARN
O=C1CN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CCN1CCO	ZINC000072307590	570525857	/nfs/dbraw/zinc/52/58/57/570525857.db2.gz	GAAYYBGBUFYMHY-UHFFFAOYSA-N	0	0	398.441	0.020	50	5		GCBARN
O=c1c2cc3c(ccn(-c4nc[nH]n4)c3=O)nc2ccn1CCN1CCOCC1	ZINC000036359488	570563284	/nfs/dbraw/zinc/56/32/84/570563284.db2.gz	GTXCAEWPNHZZAS-UHFFFAOYSA-N	0	0	393.407	0.151	50	5		GCBARN
COCCNc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccc([N+](=O)[O-])cc1	ZINC000013749321	570674431	/nfs/dbraw/zinc/67/44/31/570674431.db2.gz	GZVWKDKMNLLTTB-UHFFFAOYSA-N	0	0	388.384	0.449	50	5		GCBARN
O=[N+]([O-])C1([N+](=O)[O-])CCC([N+](=O)[O-])([N+](=O)[O-])c2nn(-c3ccccc3)nc21	ZINC000073351238	570787091	/nfs/dbraw/zinc/78/70/91/570787091.db2.gz	KGCOFTBOJHNAME-UHFFFAOYSA-N	0	0	379.245	0.474	50	5		GCBARN
CC(=O)N[C@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1cccc([N+](=O)[O-])c1	ZINC000239331315	570828018	/nfs/dbraw/zinc/82/80/18/570828018.db2.gz	KLVGSLXHQFFDRJ-YIDVYQOGSA-N	0	0	382.369	0.716	50	5		GCBARN
CCN(C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)[C@H]1CCS(=O)(=O)C1	ZINC000012533549	570834968	/nfs/dbraw/zinc/83/49/68/570834968.db2.gz	DWHSOQVVRDUICE-LBPRGKRZSA-N	0	0	394.409	0.340	50	5		GCBARN
C[C@@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000012554574	570857523	/nfs/dbraw/zinc/85/75/23/570857523.db2.gz	SRQVZJJQVCAHDR-PWSUYJOCSA-N	0	0	399.425	0.509	50	5		GCBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000012624609	570900597	/nfs/dbraw/zinc/90/05/97/570900597.db2.gz	LVCCHWPIJJUOSD-CYBMUJFWSA-N	0	0	381.410	0.314	50	5		GCBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000012757138	571009004	/nfs/dbraw/zinc/00/90/04/571009004.db2.gz	WEWKURFCJKRFCM-ZDUSSCGKSA-N	0	0	395.393	0.804	50	5		GCBARN
COCCNC(=O)Cn1c2ccccc2c(=O)n(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000096317824	1199902511	/nfs/dbraw/zinc/90/25/11/1199902511.db2.gz	YWIYWQTXNRIKJM-UHFFFAOYSA-N	0	0	398.375	0.823	50	5		GCBARN
C[C@]1(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)CCS(=O)(=O)C1	ZINC000022357946	1199915144	/nfs/dbraw/zinc/91/51/44/1199915144.db2.gz	KKTKPFLPQRHHDE-HNNXBMFYSA-N	0	0	386.430	0.104	50	5		GCBARN
Cc1cc(NC(=O)Cn2cnc([N+](=O)[O-])n2)nn1CC(=O)NCc1ccco1	ZINC000002867319	1199941061	/nfs/dbraw/zinc/94/10/61/1199941061.db2.gz	RBFRXPXVXITSQG-UHFFFAOYSA-N	0	0	388.344	0.239	50	5		GCBARN
CCNC(=O)NC(=O)[C@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000003503333	1200062033	/nfs/dbraw/zinc/06/20/33/1200062033.db2.gz	NCMHCUAGBFDYGU-QMMMGPOBSA-N	0	0	387.370	0.389	50	5		GCBARN
COc1ccc(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1S(N)(=O)=O	ZINC000009127498	1200323594	/nfs/dbraw/zinc/32/35/94/1200323594.db2.gz	RVXDPYACVMLWIU-UHFFFAOYSA-N	0	0	396.381	0.972	50	5		GCBARN
CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000009123203	1200323647	/nfs/dbraw/zinc/32/36/47/1200323647.db2.gz	GPRADSQSOITUAC-KDOFPFPSSA-N	0	0	388.380	0.829	50	5		GCBARN
CCOC(=O)C1=C(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)NC(=O)N[C@@H]1C	ZINC000009254907	1200354361	/nfs/dbraw/zinc/35/43/61/1200354361.db2.gz	JNNAIUMVSOFKLA-MRVPVSSYSA-N	0	0	395.372	0.470	50	5		GCBARN
O=C(Cn1cnc2nc3n(c2c1=O)CCC3)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009906695	1200404199	/nfs/dbraw/zinc/40/41/99/1200404199.db2.gz	QKLBALRDTKFIBS-UHFFFAOYSA-N	0	0	397.347	0.874	50	5		GCBARN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCOCC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162937	210106032	/nfs/dbraw/zinc/10/60/32/210106032.db2.gz	KCZZKARFNGFYKR-KBPBESRZSA-N	0	0	376.369	0.633	50	5		GCBARN
CS(=O)(=O)c1ccc(N2CCCN(S(C)(=O)=O)CC2)c([N+](=O)[O-])c1	ZINC000022530371	530927091	/nfs/dbraw/zinc/92/70/91/530927091.db2.gz	AMVNVSWENHRQLM-UHFFFAOYSA-N	0	0	377.444	0.470	50	5		GCBARN
CSc1ccc(S(=O)(=O)NCC(=O)O[C@H]2CCOC2=O)cc1[N+](=O)[O-]	ZINC000010021541	530988913	/nfs/dbraw/zinc/98/89/13/530988913.db2.gz	YWWVMUXKEYAIMC-JTQLQIEISA-N	0	0	390.395	0.454	50	5		GCBARN
CCNc1ccc(C(=O)OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000009612803	209836582	/nfs/dbraw/zinc/83/65/82/209836582.db2.gz	CAKOKANUKDZAMO-NSHDSACASA-N	0	0	385.398	0.487	50	5		GCBARN
Cc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)ccc2c3ccccc3c(=O)oc12	ZINC000006733708	209674777	/nfs/dbraw/zinc/67/47/77/209674777.db2.gz	KCOQZMRVUZCTBG-ISIBIEBGSA-N	0	0	388.372	0.433	50	5	biogenic	GCBARN
COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000000951740	209283294	/nfs/dbraw/zinc/28/32/94/209283294.db2.gz	YTZLJJYBKMUINZ-CYBMUJFWSA-N	0	0	386.364	0.997	50	5		GCBARN
CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000000899504	209278257	/nfs/dbraw/zinc/27/82/57/209278257.db2.gz	HPKYQGMVFWYONQ-UHFFFAOYSA-N	0	0	377.444	0.641	50	5		GCBARN
CCS(=O)(=O)N1CCN(c2cc3c(cc2[N+](=O)[O-])n(C)c(=O)n3C)CC1	ZINC000009972062	204328511	/nfs/dbraw/zinc/32/85/11/204328511.db2.gz	PRMLGLGCHNACHP-UHFFFAOYSA-N	0	0	383.430	0.257	50	5		GCBARN
CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013026984	204480426	/nfs/dbraw/zinc/48/04/26/204480426.db2.gz	SOXOHTLZFCVHDM-RKDXNWHRSA-N	0	0	387.370	0.144	50	5		GCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1C[C@@H](O)[C@@H](O)C1	ZINC000072310956	205323745	/nfs/dbraw/zinc/32/37/45/205323745.db2.gz	ZEQCDUUCNFNXQU-IYBDPMFKSA-N	0	0	385.442	0.701	50	5		GCBARN
NC(=O)[C@@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000095455712	205460760	/nfs/dbraw/zinc/46/07/60/205460760.db2.gz	IYHREZKBEMARSX-VIFPVBQESA-N	0	0	394.203	0.232	50	5		GCBARN
CN(CC(=O)N1CCC(O)CC1)S(=O)(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000095461827	205461173	/nfs/dbraw/zinc/46/11/73/205461173.db2.gz	AJYGOTWXQFMFRR-UHFFFAOYSA-N	0	0	375.378	0.338	50	5		GCBARN
Cc1cc(C(=O)NCC(=O)O[C@@H](C)C(=O)N2CCOCC2)ccc1[N+](=O)[O-]	ZINC000011626608	205867832	/nfs/dbraw/zinc/86/78/32/205867832.db2.gz	UHKKZSOYGISVAU-LBPRGKRZSA-N	0	0	379.369	0.424	50	5		GCBARN
O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000040152970	210541217	/nfs/dbraw/zinc/54/12/17/210541217.db2.gz	XAVRZFSYJOMLFV-UHFFFAOYSA-N	0	0	389.368	0.420	50	5		GCBARN
CCN1CCN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])CC1	ZINC000020357658	210329501	/nfs/dbraw/zinc/32/95/01/210329501.db2.gz	XXBKDBDQZFVTIU-UHFFFAOYSA-N	0	0	394.480	0.243	50	5		GCBARN
CCOC(=O)C1=C(CN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)NC(=O)NC1	ZINC000040086167	132394351	/nfs/dbraw/zinc/39/43/51/132394351.db2.gz	HKEXDQNPPVETKE-UHFFFAOYSA-N	0	0	390.400	0.242	50	5		GCBARN
CC[C@@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000079017532	136172952	/nfs/dbraw/zinc/17/29/52/136172952.db2.gz	BPQUIKHVFHZVCR-CYBMUJFWSA-N	0	0	398.441	0.331	50	5		GCBARN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@@H]2[C@@H](C)O1	ZINC000102777965	136196318	/nfs/dbraw/zinc/19/63/18/136196318.db2.gz	FQYREZYGRNGXNE-UZBGLRBASA-N	0	0	388.380	0.828	50	5		GCBARN
C[C@@H](OC(=O)[C@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012809986	525893042	/nfs/dbraw/zinc/89/30/42/525893042.db2.gz	YKCDABSKBCLRQT-ZWNOBZJWSA-N	0	0	385.398	0.889	50	5		GCBARN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000048332387	525931118	/nfs/dbraw/zinc/93/11/18/525931118.db2.gz	AFEQVMRNVHJSDC-CQSZACIVSA-N	0	0	383.426	0.915	50	5		GCBARN
O=C(CNC(=O)Cn1cc([N+](=O)[O-])ccc1=O)Nc1ccc(F)c(F)c1F	ZINC000006120339	570249257	/nfs/dbraw/zinc/24/92/57/570249257.db2.gz	HKTUUKHLYJSKBF-UHFFFAOYSA-N	0	0	384.270	0.929	50	5		GCBARN
CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000024656656	570277701	/nfs/dbraw/zinc/27/77/01/570277701.db2.gz	NURVNROZMTXRCC-UHFFFAOYSA-N	0	0	380.382	0.646	50	5		GCBARN
Cc1cccn2c1nc1c(cc(C(N)=S)c(=N)n1CCN1CCOCC1)c2=O	ZINC000004480424	570377386	/nfs/dbraw/zinc/37/73/86/570377386.db2.gz	ZGZQMIUTRANOQE-UHFFFAOYSA-N	0	0	398.492	0.403	50	5		GCBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCC2(CC1)OCCO2	ZINC000024995275	570662641	/nfs/dbraw/zinc/66/26/41/570662641.db2.gz	VBGFWBJBTLSFQJ-UHFFFAOYSA-N	0	0	375.337	0.556	50	5		GCBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000034800062	570800437	/nfs/dbraw/zinc/80/04/37/570800437.db2.gz	RPUWNQFULOZISA-MRXNPFEDSA-N	0	0	392.412	0.865	50	5		GCBARN
CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1cccc([N+](=O)[O-])c1	ZINC000239331314	570827820	/nfs/dbraw/zinc/82/78/20/570827820.db2.gz	KLVGSLXHQFFDRJ-OLMNGRFOSA-N	0	0	382.369	0.716	50	5		GCBARN
C[C@H](C(=O)N1CCCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000079106159	1186744721	/nfs/dbraw/zinc/74/47/21/1186744721.db2.gz	SIKTYXWMKIQFMC-CYBMUJFWSA-N	0	0	390.444	0.612	50	5		GCBARN
O=C(N1CCOCC1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000009489478	1199344801	/nfs/dbraw/zinc/34/48/01/1199344801.db2.gz	HNKWNZDAUBPKNC-UHFFFAOYSA-N	0	0	384.414	0.353	50	5		GCBARN
NS(=O)(=O)c1ccc(CCNC(=O)COc2ccccc2[N+](=O)[O-])cc1	ZINC000003270139	1200020136	/nfs/dbraw/zinc/02/01/36/1200020136.db2.gz	FBTBIBRBMBPMKF-UHFFFAOYSA-N	0	0	379.394	0.980	50	5		GCBARN
Cn1c(=O)c2cc(NC(=O)c3n[nH]c4ccc([N+](=O)[O-])cc43)cnc2n(C)c1=O	ZINC000040079861	1200297458	/nfs/dbraw/zinc/29/74/58/1200297458.db2.gz	NXALNDLYPVOGKF-UHFFFAOYSA-N	0	0	395.335	0.669	50	5		GCBARN
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000040115793	1200300322	/nfs/dbraw/zinc/30/03/22/1200300322.db2.gz	NMSDIKJEMVKDCM-KOLCDFICSA-N	0	0	397.438	0.189	50	5		GCBARN
CN(C)S(=O)(=O)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000025205880	530117662	/nfs/dbraw/zinc/11/76/62/530117662.db2.gz	BGDBJNGYQVFBML-UHFFFAOYSA-N	0	0	376.822	0.812	50	5		GCBARN
CS(=O)(=O)NCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000012527205	530360775	/nfs/dbraw/zinc/36/07/75/530360775.db2.gz	MNDZWOAPVQKBAK-UHFFFAOYSA-N	0	0	391.349	0.849	50	5		GCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000025909004	530562821	/nfs/dbraw/zinc/56/28/21/530562821.db2.gz	AASWEIMQEKKTEK-CYBMUJFWSA-N	0	0	389.455	0.088	50	5		GCBARN
O=C([C@@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000040115101	530979859	/nfs/dbraw/zinc/97/98/59/530979859.db2.gz	QZLTVBOEDCOEMC-MFKMUULPSA-N	0	0	375.353	0.463	50	5		GCBARN
NS(=O)(=O)c1ccc(NNC(=S)NC(=O)c2ccco2)c([N+](=O)[O-])c1	ZINC000009139259	530983033	/nfs/dbraw/zinc/98/30/33/530983033.db2.gz	BWLLLRRDHRRGIO-UHFFFAOYSA-N	0	0	385.383	0.467	50	5		GCBARN
O=C([C@H]1CCCO1)N1CCN(Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1	ZINC000012873496	210021435	/nfs/dbraw/zinc/02/14/35/210021435.db2.gz	HAOOQGLQUPZCKE-OAHLLOKOSA-N	0	0	376.369	0.783	50	5		GCBARN
C[C@@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1C(=O)N1CCOCC1	ZINC000010078665	209853485	/nfs/dbraw/zinc/85/34/85/209853485.db2.gz	UPMMOLFEGACKSQ-GFCCVEGCSA-N	0	0	384.414	0.699	50	5		GCBARN
O=[N+]([O-])c1ccc(NNC(=S)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000009439573	209830046	/nfs/dbraw/zinc/83/00/46/209830046.db2.gz	YBZRMAVIKDLOMJ-SSDOTTSWSA-N	0	0	375.388	0.481	50	5		GCBARN
CCn1c(SCCn2c(C)ncc2[N+](=O)[O-])nc2c1c(=O)n(C)c(=O)n2C	ZINC000001150017	209306649	/nfs/dbraw/zinc/30/66/49/209306649.db2.gz	PVPPDGBZVVZGMQ-UHFFFAOYSA-N	0	0	393.429	0.659	50	5	biogenic	GCBARN
C[C@@H]1CCCN(CN2c3ccccc3C3(OCC(CO)([N+](=O)[O-])CO3)C2=O)C1	ZINC000000784126	209265050	/nfs/dbraw/zinc/26/50/50/209265050.db2.gz	RFUUEWFNHZZBRC-FTXHTYHOSA-N	0	0	391.424	0.930	50	5		GCBARN
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000003449691	204007446	/nfs/dbraw/zinc/00/74/46/204007446.db2.gz	FXOFSOAAKFNLEZ-PSKZRQQASA-N	0	0	395.437	0.760	50	5		GCBARN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CCN1S(C)(=O)=O	ZINC000004687281	204064763	/nfs/dbraw/zinc/06/47/63/204064763.db2.gz	NEGZAXIAGRBQFG-CYBMUJFWSA-N	0	0	384.458	0.902	50	5		GCBARN
CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CCCO3)CC2)c([N+](=O)[O-])c1	ZINC000005700833	204147502	/nfs/dbraw/zinc/14/75/02/204147502.db2.gz	WJGAIRLDGUAKGZ-OAHLLOKOSA-N	0	0	383.426	0.826	50	5		GCBARN
O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCCC1=O	ZINC000007736160	204249004	/nfs/dbraw/zinc/24/90/04/204249004.db2.gz	QGWZSZVZRYBGKJ-UHFFFAOYSA-N	0	0	377.353	0.737	50	5		GCBARN
O=C(CCn1ccnc1)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000009155993	204300909	/nfs/dbraw/zinc/30/09/09/204300909.db2.gz	JWJMLYIQXJXIDN-UHFFFAOYSA-N	0	0	393.425	0.715	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)NC3CC3)CC2)cc1[N+](=O)[O-]	ZINC000012994281	204475002	/nfs/dbraw/zinc/47/50/02/204475002.db2.gz	CLFINKMSHDCVKZ-UHFFFAOYSA-N	0	0	384.414	0.782	50	5		GCBARN
CC(C)(C)NS(=O)(=O)c1ccc(NCCS(N)(=O)=O)c([N+](=O)[O-])c1	ZINC000036390976	205015848	/nfs/dbraw/zinc/01/58/48/205015848.db2.gz	CMGZZQDHIKONOS-UHFFFAOYSA-N	0	0	380.448	0.372	50	5		GCBARN
CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@H](O)C3)c([N+](=O)[O-])c2)CC1	ZINC000023709422	211790624	/nfs/dbraw/zinc/79/06/24/211790624.db2.gz	FRNQZBULLGWMQP-ZDUSSCGKSA-N	0	0	384.458	0.492	50	5		GCBARN
NC(=O)CSc1nnc(N2CCN(C(=O)c3ccc([N+](=O)[O-])o3)CC2)s1	ZINC000023141540	211787552	/nfs/dbraw/zinc/78/75/52/211787552.db2.gz	ZCRAXOQRSARDSP-UHFFFAOYSA-N	0	0	398.426	0.579	50	5		GCBARN
CCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCOCCO)c1=N	ZINC000100628133	205610719	/nfs/dbraw/zinc/61/07/19/205610719.db2.gz	IAUYXOLKTPRSFR-UHFFFAOYSA-N	0	0	385.424	0.196	50	5		GCBARN
COC(=O)CCN1CCN(S(=O)(=O)c2cccc(F)c2[N+](=O)[O-])CC1	ZINC000048311071	211453944	/nfs/dbraw/zinc/45/39/44/211453944.db2.gz	SGGLKPMKLVZIEF-UHFFFAOYSA-N	0	0	375.378	0.603	50	5		GCBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)Cn3cnc([N+](=O)[O-])n3)CC2)cc1	ZINC000040152572	210539698	/nfs/dbraw/zinc/53/96/98/210539698.db2.gz	JKXYSNOXWPMFEJ-UHFFFAOYSA-N	0	0	394.413	0.028	50	5		GCBARN
CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1	ZINC000019888964	210305541	/nfs/dbraw/zinc/30/55/41/210305541.db2.gz	BRYQUKNHXFIFCA-AWEZNQCLSA-N	0	0	396.469	0.770	50	5		GCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@H]1CCS(=O)(=O)C1	ZINC000009672409	221088236	/nfs/dbraw/zinc/08/82/36/221088236.db2.gz	BOWXAKKNRXMCGK-NSHDSACASA-N	0	0	389.455	0.978	50	5		GCBARN
COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000000719642	570299761	/nfs/dbraw/zinc/29/97/61/570299761.db2.gz	NPDSZMARWCVHQD-CYBMUJFWSA-N	0	0	386.364	0.997	50	5		GCBARN
CCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788680	570330804	/nfs/dbraw/zinc/33/08/04/570330804.db2.gz	BFZWYKPNTUVIKP-UHFFFAOYSA-N	0	0	396.451	0.211	50	5		GCBARN
NC(=O)c1ccc(N2CCCN(CC(=O)N3CCCC3)CC2)c([N+](=O)[O-])c1	ZINC000026705509	570425168	/nfs/dbraw/zinc/42/51/68/570425168.db2.gz	RXXLRAUYMKWPEX-UHFFFAOYSA-N	0	0	375.429	0.828	50	5		GCBARN
CC(=O)N[C@@H]1[C@H](OCc2ccc([N+](=O)[O-])cc2)O[C@@H]2COC(C)(C)O[C@H]2[C@H]1O	ZINC000247945283	570431080	/nfs/dbraw/zinc/43/10/80/570431080.db2.gz	OOFFXOCMFXFNIN-DRRXZNNHSA-N	0	0	396.396	0.853	50	5	biogenic	GCBARN
COC(=O)C1=NNC(C(=O)OC)=C2CO[C@@H](c3ccc([N+](=O)[O-])cc3)OC[C@@H]12	ZINC000006878975	570670191	/nfs/dbraw/zinc/67/01/91/570670191.db2.gz	ZYWVWHSFPFMQEF-DIFFPNOSSA-N	0	0	391.336	0.816	50	5		GCBARN
CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N(C)C1=S	ZINC000004624013	570701173	/nfs/dbraw/zinc/70/11/73/570701173.db2.gz	DQQHMYSPZFXUAD-ZDUSSCGKSA-N	0	0	390.421	0.558	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)C(N)=O)CC1	ZINC000017816246	570716227	/nfs/dbraw/zinc/71/62/27/570716227.db2.gz	NTMSNQUJXVNAFD-NSHDSACASA-N	0	0	398.441	0.294	50	5		GCBARN
O=C1CCCN1CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000032916344	570927932	/nfs/dbraw/zinc/92/79/32/570927932.db2.gz	DGXXERZQTJMKQH-UHFFFAOYSA-N	0	0	382.442	0.524	50	5		GCBARN
C[C@@H](C(=O)N1CCCCC1)N1CCN(c2ncc([N+](=O)[O-])cc2C(N)=O)CC1	ZINC000079106156	1186744834	/nfs/dbraw/zinc/74/48/34/1186744834.db2.gz	SIKTYXWMKIQFMC-ZDUSSCGKSA-N	0	0	390.444	0.612	50	5		GCBARN
CN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)NC1=S	ZINC000230027653	1199934079	/nfs/dbraw/zinc/93/40/79/1199934079.db2.gz	LUILEKXJTXCSRN-BLLLJJGKSA-N	0	0	376.394	0.216	50	5		GCBARN
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000003503331	1200062263	/nfs/dbraw/zinc/06/22/63/1200062263.db2.gz	NCMHCUAGBFDYGU-MRVPVSSYSA-N	0	0	387.370	0.389	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])CC2)cc1OC	ZINC000040114921	1200300468	/nfs/dbraw/zinc/30/04/68/1200300468.db2.gz	RVDFFWAYWIHBMA-CHWSQXEVSA-N	0	0	399.425	0.202	50	5		GCBARN
O=C(Cn1ccc([N+](=O)[O-])n1)N1CCN(Cc2ccc3c(c2)OCCO3)CC1	ZINC000040139183	1200301662	/nfs/dbraw/zinc/30/16/62/1200301662.db2.gz	KOKVUCQINKAIDV-UHFFFAOYSA-N	0	0	387.396	0.907	50	5		GCBARN
CC(C)NS(=O)(=O)c1ccc(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000012537338	530385580	/nfs/dbraw/zinc/38/55/80/530385580.db2.gz	HWBPRLOSZHNCMJ-JTQLQIEISA-N	0	0	377.444	0.881	50	5		GCBARN
CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000012849023	530643776	/nfs/dbraw/zinc/64/37/76/530643776.db2.gz	UDMYKAOBTUSFSG-UHFFFAOYSA-N	0	0	377.444	0.687	50	5		GCBARN
COCCNC(=S)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000002872535	530931641	/nfs/dbraw/zinc/93/16/41/530931641.db2.gz	UPGKNYYURUWJBC-UHFFFAOYSA-N	0	0	388.471	0.422	50	5		GCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ccc4nncn4n3)CC2)cc1	ZINC000013847701	210094416	/nfs/dbraw/zinc/09/44/16/210094416.db2.gz	ZJFNZSYGDJNKRP-UHFFFAOYSA-N	0	0	389.397	0.543	50	5		GCBARN
CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008764010	530967092	/nfs/dbraw/zinc/96/70/92/530967092.db2.gz	CSHGFEBGRMYYHG-SSDOTTSWSA-N	0	0	379.372	0.506	50	5		GCBARN
C[C@@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012809979	210012714	/nfs/dbraw/zinc/01/27/14/210012714.db2.gz	YKCDABSKBCLRQT-MFKMUULPSA-N	0	0	385.398	0.889	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(c3c([N+](=O)[O-])ncn3C)CC2)cc1	ZINC000008778785	209801281	/nfs/dbraw/zinc/80/12/81/209801281.db2.gz	KANDMUPLWVXDAC-UHFFFAOYSA-N	0	0	381.414	0.848	50	5		GCBARN
Cn1c2nc(Cl)n(CC(=O)c3cccc([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000001072263	209296694	/nfs/dbraw/zinc/29/66/94/209296694.db2.gz	LOXFSYFWBLKBPD-UHFFFAOYSA-N	0	0	377.744	0.878	50	5		GCBARN
Cn1c(=O)c2c3oc(-c4ccc([N+](=O)[O-])cc4)nc3c(=O)n(C)c2n(C)c1=O	ZINC000001036987	209291665	/nfs/dbraw/zinc/29/16/65/209291665.db2.gz	LZVNSJGFBDPKNF-UHFFFAOYSA-N	0	0	383.320	0.652	50	5		GCBARN
CCOC(=O)c1cc2c(nc3ccccn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788664	209265314	/nfs/dbraw/zinc/26/53/14/209265314.db2.gz	MTGKHIZCIHNATD-UHFFFAOYSA-N	0	0	397.435	0.638	50	5		GCBARN
COC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCN2CCOCC2)c1=N	ZINC000000788686	209265060	/nfs/dbraw/zinc/26/50/60/209265060.db2.gz	DEYMGUNUMYASMF-UHFFFAOYSA-N	0	0	397.435	0.638	50	5		GCBARN
CN1CCN(c2cc(N3CCN(S(C)(=O)=O)CC3)ccc2[N+](=O)[O-])CC1	ZINC000004144117	204028699	/nfs/dbraw/zinc/02/86/99/204028699.db2.gz	VBSVBFHVFRVSHE-UHFFFAOYSA-N	0	0	383.474	0.428	50	5		GCBARN
CNc1ccc(S(=O)(=O)N(C)CC(=O)NCC(F)(F)F)cc1[N+](=O)[O-]	ZINC000005689832	204147302	/nfs/dbraw/zinc/14/73/02/204147302.db2.gz	DYISRMYYKGNCMQ-UHFFFAOYSA-N	0	0	384.336	0.936	50	5		GCBARN
CN(CCO)c1cc(N2CCC3(CC2)OCCO3)c2nonc2c1[N+](=O)[O-]	ZINC000008683124	204282926	/nfs/dbraw/zinc/28/29/26/204282926.db2.gz	OTWGZOUDVUOAQU-UHFFFAOYSA-N	0	0	379.373	0.903	50	5		GCBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)NC(=O)NC(C)C)ccc1[N+](=O)[O-]	ZINC000009963387	204327329	/nfs/dbraw/zinc/32/73/29/204327329.db2.gz	WWTAQDGNSOZMEN-UHFFFAOYSA-N	0	0	380.357	0.410	50	5		GCBARN
O=C(C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)N1CCOCC1	ZINC000009113292	204299934	/nfs/dbraw/zinc/29/99/34/204299934.db2.gz	OITURMCFNQEEHT-UHFFFAOYSA-N	0	0	382.804	0.756	50	5		GCBARN
CCNC(=O)CN1CCN(S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1	ZINC000012972355	204471416	/nfs/dbraw/zinc/47/14/16/204471416.db2.gz	QSOQHSXLMZOWQH-UHFFFAOYSA-N	0	0	384.458	0.654	50	5		GCBARN
CS(=O)(=O)NC[C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000032824090	211942731	/nfs/dbraw/zinc/94/27/31/211942731.db2.gz	GVUJXRGUKABLCC-LLVKDONJSA-N	0	0	377.444	0.687	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1	ZINC000032916598	204930269	/nfs/dbraw/zinc/93/02/69/204930269.db2.gz	IRMHGURAOLMVLH-LBPRGKRZSA-N	0	0	391.471	0.853	50	5		GCBARN
CCOC(=O)N1CCN(C(=O)Cn2c(=O)oc3ccc([N+](=O)[O-])cc32)CC1	ZINC000031851869	206088197	/nfs/dbraw/zinc/08/81/97/206088197.db2.gz	ZEQLANBTLOJVON-UHFFFAOYSA-N	0	0	378.341	0.803	50	5		GCBARN
C[C@@H](CN1CCCC1=O)NC(=O)CNS(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000253417723	206147993	/nfs/dbraw/zinc/14/79/93/206147993.db2.gz	DYFDWQVUSHXCNM-NSHDSACASA-N	0	0	384.414	0.000	50	5		GCBARN
Cc1c(C(N)=O)nn(C)c1Oc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CC1	ZINC000096294245	211331811	/nfs/dbraw/zinc/33/18/11/211331811.db2.gz	DESFHUMDOGYBFW-UHFFFAOYSA-N	0	0	395.397	0.969	50	5		GCBARN
Cc1cc(C(=O)N2CCC[C@H]2C(=O)NCCNC(=O)N(C)C)ccc1[N+](=O)[O-]	ZINC000095458498	211242281	/nfs/dbraw/zinc/24/22/81/211242281.db2.gz	XOVNJELFFFPVNX-HNNXBMFYSA-N	0	0	391.428	0.895	50	5		GCBARN
CN1CCN(C(=O)c2cc(C(=O)N3CCN(C)CC3)cc([N+](=O)[O-])c2)CC1	ZINC000020130796	210317875	/nfs/dbraw/zinc/31/78/75/210317875.db2.gz	HOQGAIOJBNRKHP-UHFFFAOYSA-N	0	0	375.429	0.370	50	5		GCBARN
NC(=O)c1cccc(CCNC(=O)CN2C(=O)COc3ccc([N+](=O)[O-])cc32)c1	ZINC000058343259	136155308	/nfs/dbraw/zinc/15/53/08/136155308.db2.gz	SEOHDSUKWWZMQB-UHFFFAOYSA-N	0	0	398.375	0.778	50	5		GCBARN
O=C1CCC(=O)N1CCN1CCN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)CC1	ZINC000065945323	136164323	/nfs/dbraw/zinc/16/43/23/136164323.db2.gz	SKOKWYGFVGJGHH-UHFFFAOYSA-N	0	0	389.416	0.230	50	5		GCBARN
CC[C@H]1C(=O)NCCN1c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000079017537	136172906	/nfs/dbraw/zinc/17/29/06/136172906.db2.gz	BPQUIKHVFHZVCR-ZDUSSCGKSA-N	0	0	398.441	0.331	50	5		GCBARN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N1CCOCC1	ZINC000014184332	570294971	/nfs/dbraw/zinc/29/49/71/570294971.db2.gz	JAWABBDKNQFOJW-NEPJUHHUSA-N	0	0	379.369	0.504	50	5		GCBARN
NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)N2CCc3[nH]c4ccccc4c3C2)c1=O	ZINC000027056113	570500707	/nfs/dbraw/zinc/50/07/07/570500707.db2.gz	COPAMTVXGIFFQC-UHFFFAOYSA-N	0	0	395.375	0.922	50	5		GCBARN
COCCn1ccc2nc3ccn(CCN4CCOCC4)c(=O)c3cc2c1=O	ZINC000036365060	570564101	/nfs/dbraw/zinc/56/41/01/570564101.db2.gz	GVUFIIYUKXVNJP-UHFFFAOYSA-N	0	0	384.436	0.690	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)C(N)=O)CC1	ZINC000017816242	570716168	/nfs/dbraw/zinc/71/61/68/570716168.db2.gz	NTMSNQUJXVNAFD-LLVKDONJSA-N	0	0	398.441	0.294	50	5		GCBARN
C[C@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022195274	570801173	/nfs/dbraw/zinc/80/11/73/570801173.db2.gz	ISAZTDHLXRCHMD-GFCCVEGCSA-N	0	0	382.442	0.568	50	5		GCBARN
CC(=O)N[C@H]1[C@@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000239274981	570825322	/nfs/dbraw/zinc/82/53/22/570825322.db2.gz	BAQKZBVEURTTFC-DGADGQDISA-N	0	0	382.369	0.716	50	5		GCBARN
CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000239274982	570825401	/nfs/dbraw/zinc/82/54/01/570825401.db2.gz	BAQKZBVEURTTFC-LYYZXLFJSA-N	0	0	382.369	0.716	50	5		GCBARN
CC(=O)OC[C@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000170614328	570872278	/nfs/dbraw/zinc/87/22/78/570872278.db2.gz	IULKXTZXEQTRFF-GOEBONIOSA-N	0	0	393.396	0.548	50	5		GCBARN
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000012624612	570900667	/nfs/dbraw/zinc/90/06/67/570900667.db2.gz	LVCCHWPIJJUOSD-ZDUSSCGKSA-N	0	0	381.410	0.314	50	5		GCBARN
COC(=O)Cn1cc(S(=O)(=O)N2CCOCC2)c2cc([N+](=O)[O-])ccc21	ZINC000020558043	1199872564	/nfs/dbraw/zinc/87/25/64/1199872564.db2.gz	MABUANHWEVQAIG-UHFFFAOYSA-N	0	0	383.382	0.743	50	5		GCBARN
CC(C)Cn1c(N)c(C(=O)COC(=O)c2ccc([N+](=O)[O-])o2)c(=O)n(C)c1=O	ZINC000002622108	1199931227	/nfs/dbraw/zinc/93/12/27/1199931227.db2.gz	VHNQORPGZFTBNO-UHFFFAOYSA-N	0	0	394.340	0.326	50	5		GCBARN
O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000040115800	1200300638	/nfs/dbraw/zinc/30/06/38/1200300638.db2.gz	NMSDIKJEMVKDCM-GXSJLCMTSA-N	0	0	397.438	0.189	50	5		GCBARN
C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)n1ccnc1	ZINC000040143474	1200301645	/nfs/dbraw/zinc/30/16/45/1200301645.db2.gz	GKKFZOZFGBKONF-ZDUSSCGKSA-N	0	0	393.425	0.885	50	5		GCBARN
Cc1nn(CC(=O)NN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c(C)c1[N+](=O)[O-]	ZINC000009824200	1200401387	/nfs/dbraw/zinc/40/13/87/1200401387.db2.gz	VEERDZZCCQHFHC-KRWDZBQOSA-N	0	0	386.368	0.907	50	5		GCBARN
C[C@H](NC(=O)c1ccco1)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21	ZINC000408515435	1200668282	/nfs/dbraw/zinc/66/82/82/1200668282.db2.gz	UWGWTDHPCYQALO-NSHDSACASA-N	0	0	398.379	1.478	50	5		GCBARN
C[C@@H](NC(=O)c1ccco1)C(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc21	ZINC000408515434	1201064036	/nfs/dbraw/zinc/06/40/36/1201064036.db2.gz	UWGWTDHPCYQALO-LLVKDONJSA-N	0	0	398.379	1.478	50	5		GCBARN
NC(=O)[C@H]1COCCN1S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-]	ZINC000095455711	530918754	/nfs/dbraw/zinc/91/87/54/530918754.db2.gz	IYHREZKBEMARSX-SECBINFHSA-N	0	0	394.203	0.232	50	5		GCBARN
CCOC(=O)CCCNC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1	ZINC000013522014	210064135	/nfs/dbraw/zinc/06/41/35/210064135.db2.gz	RCLWUURZQQRECT-UHFFFAOYSA-N	0	0	396.352	0.998	50	5		GCBARN
C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000012757214	210002869	/nfs/dbraw/zinc/00/28/69/210002869.db2.gz	VPGWPSJDNKDDQA-GWCFXTLKSA-N	0	0	385.398	0.889	50	5		GCBARN
Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1n(C)c(=O)n(C)c2=O	ZINC000010166207	209321461	/nfs/dbraw/zinc/32/14/61/209321461.db2.gz	JARRCLUAWLXDSC-UHFFFAOYSA-N	0	0	389.393	0.854	50	5		GCBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)NC[C@@H]2CCCO2)ccc1[N+](=O)[O-]	ZINC000005943748	204158845	/nfs/dbraw/zinc/15/88/45/204158845.db2.gz	MNSAQJWFGCITEM-ZDUSSCGKSA-N	0	0	379.369	0.471	50	5		GCBARN
CS(=O)(=O)c1ccc(NCCNC(=O)Cn2ccccc2=O)c([N+](=O)[O-])c1	ZINC000009338701	204306702	/nfs/dbraw/zinc/30/67/02/204306702.db2.gz	OIILLEZKXIVCRF-UHFFFAOYSA-N	0	0	394.409	0.388	50	5		GCBARN
Cn1cnnc1Sc1cc(N2CCN(S(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	ZINC000009891917	204326594	/nfs/dbraw/zinc/32/65/94/204326594.db2.gz	HFAJCVTWDFLXEQ-UHFFFAOYSA-N	0	0	398.470	0.956	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])CC2)cc1OC	ZINC000040114918	204874397	/nfs/dbraw/zinc/87/43/97/204874397.db2.gz	RVDFFWAYWIHBMA-OLZOCXBDSA-N	0	0	399.425	0.202	50	5		GCBARN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H](S(N)(=O)=O)C2)cc1C	ZINC000095365170	206113327	/nfs/dbraw/zinc/11/33/27/206113327.db2.gz	KREJVYNGZFCIOJ-LLVKDONJSA-N	0	0	377.444	0.653	50	5		GCBARN
COC(=O)c1cc(C)nc(N2CCC3(CC2)NC(=O)N(C)C3=O)c1[N+](=O)[O-]	ZINC000242001098	206128419	/nfs/dbraw/zinc/12/84/19/206128419.db2.gz	VCYSFPJGKKVIMG-UHFFFAOYSA-N	0	0	377.357	0.605	50	5		GCBARN
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCOC)c1=N	ZINC000100627989	211388735	/nfs/dbraw/zinc/38/87/35/211388735.db2.gz	LJTCETKHJLAISR-UHFFFAOYSA-N	0	0	399.451	0.931	50	5		GCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@@H](CN2CCOCC2)N2CCOCC2)cc1	ZINC000019899390	210306583	/nfs/dbraw/zinc/30/65/83/210306583.db2.gz	ZXRLMFHUUYIQRE-MRXNPFEDSA-N	0	0	399.469	0.402	50	5		GCBARN
COCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c1nc1ccccn1c2=O	ZINC000100627918	570263682	/nfs/dbraw/zinc/26/36/82/570263682.db2.gz	ATIYAIAVTRRTIG-CYBMUJFWSA-N	0	0	397.435	0.684	50	5		GCBARN
CCOC(=O)[C@H]1C([O-])=NC(N2CCOCC2)=[NH+][C@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162934	570294390	/nfs/dbraw/zinc/29/43/90/570294390.db2.gz	KCZZKARFNGFYKR-KGLIPLIRSA-N	0	0	376.369	0.633	50	5		GCBARN
COCCCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCOC)c1=N	ZINC000100627906	570417660	/nfs/dbraw/zinc/41/76/60/570417660.db2.gz	HVBQBYCMDOWYCV-UHFFFAOYSA-N	0	0	399.451	0.850	50	5		GCBARN
CS(=O)(=O)N1CCC(NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)CC1	ZINC000036813690	570817230	/nfs/dbraw/zinc/81/72/30/570817230.db2.gz	MPBHOCNKBXIKOV-UHFFFAOYSA-N	0	0	394.413	0.329	50	5		GCBARN
C[C@H](OC(=O)CN1CCN(C)C(=O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000170610697	570866974	/nfs/dbraw/zinc/86/69/74/570866974.db2.gz	FELJOQIYWHKAHW-JTQLQIEISA-N	0	0	398.803	0.892	50	5		GCBARN
CC(=O)OC[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000170614329	570872327	/nfs/dbraw/zinc/87/23/27/570872327.db2.gz	IULKXTZXEQTRFF-HOCLYGCPSA-N	0	0	393.396	0.548	50	5		GCBARN
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCC(F)(F)F	ZINC000003370694	1200042763	/nfs/dbraw/zinc/04/27/63/1200042763.db2.gz	MFFJOXRENRRCRX-UHFFFAOYSA-N	0	0	389.242	0.413	50	5		GCBARN
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	ZINC000008659838	1200246779	/nfs/dbraw/zinc/24/67/79/1200246779.db2.gz	XWTLKIYPPAYNKS-UHFFFAOYSA-N	0	0	399.473	0.360	50	5		GCBARN
CNS(=O)(=O)Cc1ccc(CNC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1	ZINC000040017391	1200296106	/nfs/dbraw/zinc/29/61/06/1200296106.db2.gz	ZTTSITFSNMVOPC-UHFFFAOYSA-N	0	0	395.441	0.774	50	5		GCBARN
CCOC(=O)C1=NN(C(C)=O)[C@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000009075391	1200313669	/nfs/dbraw/zinc/31/36/69/1200313669.db2.gz	DNGWYKVFZVOCCY-KRWDZBQOSA-N	0	0	388.336	0.768	50	5		GCBARN
CNC(=O)NC(=O)[C@H](C)OC(=O)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009255203	1200354487	/nfs/dbraw/zinc/35/44/87/1200354487.db2.gz	SOXOHTLZFCVHDM-IUCAKERBSA-N	0	0	387.370	0.144	50	5		GCBARN
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	ZINC000009415550	1200380538	/nfs/dbraw/zinc/38/05/38/1200380538.db2.gz	MJOQRVGMUPFDNL-UHFFFAOYSA-N	0	0	394.409	0.954	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCC(NS(C)(=O)=O)CC2)cc1[N+](=O)[O-]	ZINC000010679825	530147343	/nfs/dbraw/zinc/14/73/43/530147343.db2.gz	FCQAOSZXZBWCMU-UHFFFAOYSA-N	0	0	393.443	0.306	50	5		GCBARN
Cn1cnnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009129052	530981472	/nfs/dbraw/zinc/98/14/72/530981472.db2.gz	NZRPLAHKUKNUPV-UHFFFAOYSA-N	0	0	385.427	0.895	50	5		GCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)C2=CN3CCS(=O)(=O)N=C3S2)cc1	ZINC000009254256	530984707	/nfs/dbraw/zinc/98/47/07/530984707.db2.gz	OGOBQAJRJBEMFS-UHFFFAOYSA-N	0	0	375.409	0.916	50	5		GCBARN
CS(=O)(=O)c1cc([N+](=O)[O-])c(N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000008764011	530966757	/nfs/dbraw/zinc/96/67/57/530966757.db2.gz	CSHGFEBGRMYYHG-ZETCQYMHSA-N	0	0	379.372	0.506	50	5		GCBARN
O=C(CNC(=O)c1ccccc1)NCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001838026	212257221	/nfs/dbraw/zinc/25/72/21/212257221.db2.gz	FDNZXFDUCINVLY-UHFFFAOYSA-N	0	0	399.359	0.867	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(NS(C)(=O)=O)CC1	ZINC000010044382	212236983	/nfs/dbraw/zinc/23/69/83/212236983.db2.gz	LSMGFJWEOFXUOF-UHFFFAOYSA-N	0	0	377.444	0.606	50	5		GCBARN
CC[C@@H]([C@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046179	212209735	/nfs/dbraw/zinc/20/97/35/212209735.db2.gz	XSEYTKPCVQSNGO-KBPBESRZSA-N	0	0	392.412	0.871	50	5		GCBARN
COc1ccc(C(=O)OCC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000009612821	212203895	/nfs/dbraw/zinc/20/38/95/212203895.db2.gz	VCNYSSOSKQWBRP-NSHDSACASA-N	0	0	386.382	0.406	50	5		GCBARN
Cc1nn(CC(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1[N+](=O)[O-]	ZINC000009376580	212194055	/nfs/dbraw/zinc/19/40/55/212194055.db2.gz	BRJHRHIDDJIXEH-SECBINFHSA-N	0	0	381.414	0.933	50	5		GCBARN
CC1(C)O[C@@H]2O[C@H]([C@@H](O)CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](O)[C@@H]2O1	ZINC000025666696	212107564	/nfs/dbraw/zinc/10/75/64/212107564.db2.gz	JOSZNIQNSXHFKQ-ZSLBOAEBSA-N	0	0	385.329	0.513	50	5		GCBARN
CC1(C)O[C@@H]2O[C@H]([C@@H](O)CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](O)[C@@H]2O1	ZINC000025666709	206253064	/nfs/dbraw/zinc/25/30/64/206253064.db2.gz	JOSZNIQNSXHFKQ-HPCHECBXSA-N	0	0	385.329	0.513	50	5		GCBARN
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000009123201	206306524	/nfs/dbraw/zinc/30/65/24/206306524.db2.gz	GPRADSQSOITUAC-RDTXWAMCSA-N	0	0	388.380	0.829	50	5		GCBARN
COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000000951741	206336992	/nfs/dbraw/zinc/33/69/92/206336992.db2.gz	YTZLJJYBKMUINZ-ZDUSSCGKSA-N	0	0	386.364	0.997	50	5		GCBARN
O=C(NCCn1cc([N+](=O)[O-])cn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	ZINC000002776995	206434500	/nfs/dbraw/zinc/43/45/00/206434500.db2.gz	GKGOFHCWHFCVMR-UHFFFAOYSA-N	0	0	375.301	0.967	50	5		GCBARN
O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@H]1CCCO1	ZINC000005944220	206635589	/nfs/dbraw/zinc/63/55/89/206635589.db2.gz	MFPAXXRQBAZRCE-LLVKDONJSA-N	0	0	399.787	0.816	50	5		GCBARN
O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC[C@@H]1CCCO1	ZINC000005944218	206635642	/nfs/dbraw/zinc/63/56/42/206635642.db2.gz	MFPAXXRQBAZRCE-NSHDSACASA-N	0	0	399.787	0.816	50	5		GCBARN
COc1ccnc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000015113079	207047447	/nfs/dbraw/zinc/04/74/47/207047447.db2.gz	AYBLPLJYCUFYKK-UHFFFAOYSA-N	0	0	379.398	0.904	50	5		GCBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1	ZINC000025315859	207302608	/nfs/dbraw/zinc/30/26/08/207302608.db2.gz	SPHDYUKMSBVRTE-AWEZNQCLSA-N	0	0	383.426	0.305	50	5		GCBARN
Cn1cnc2c1c(=O)n(CCCOc1cc(F)ccc1[N+](=O)[O-])c(=O)n2C	ZINC000008157095	221029252	/nfs/dbraw/zinc/02/92/52/221029252.db2.gz	IQYFQLANKBXATO-UHFFFAOYSA-N	0	0	377.332	0.950	50	5		GCBARN
C[C@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCS(=O)(=O)C1	ZINC000012554572	221205706	/nfs/dbraw/zinc/20/57/06/221205706.db2.gz	SRQVZJJQVCAHDR-CMPLNLGQSA-N	0	0	399.425	0.509	50	5		GCBARN
Cn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nc2c1n(C)c(=O)n(C)c2=O	ZINC000015882265	221351490	/nfs/dbraw/zinc/35/14/90/221351490.db2.gz	QWDVHFSTBXTIPH-UHFFFAOYSA-N	0	0	389.393	0.854	50	5		GCBARN
NS(=O)(=O)c1ccc(Nc2cnn(CC(=O)NC3CC3)c2)c([N+](=O)[O-])c1	ZINC000052487504	222006641	/nfs/dbraw/zinc/00/66/41/222006641.db2.gz	VITYFRIHVPHUDD-UHFFFAOYSA-N	0	0	380.386	0.461	50	5		GCBARN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000048332386	525930401	/nfs/dbraw/zinc/93/04/01/525930401.db2.gz	AFEQVMRNVHJSDC-AWEZNQCLSA-N	0	0	383.426	0.915	50	5		GCBARN
CC(CN(c1c([N+](=O)[O-])cc(F)cc1[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	ZINC000102395503	528706232	/nfs/dbraw/zinc/70/62/32/528706232.db2.gz	JUQCKNYTBWPYKK-UHFFFAOYSA-N	0	0	378.185	0.910	50	5		GCBARN
CN(C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCS(=O)(=O)C1	ZINC000002644083	560188340	/nfs/dbraw/zinc/18/83/40/560188340.db2.gz	URVRJYLSUVXWBC-VBROQKIQSA-N	0	0	382.394	0.797	50	5	in-vitro	GCBARN
Cc1cc(C)n2nc(CC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)nc2n1	ZINC000048311961	570233507	/nfs/dbraw/zinc/23/35/07/570233507.db2.gz	YNINFSDMMIOXKY-UHFFFAOYSA-N	0	0	396.411	0.936	50	5		GCBARN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)c1C	ZINC000024688869	570278983	/nfs/dbraw/zinc/27/89/83/570278983.db2.gz	FYDCADPNRYAXGB-UHFFFAOYSA-N	0	0	398.485	0.996	50	5		GCBARN
CN1N=C(C(=O)NCCNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CCC1=O	ZINC000016261278	570321496	/nfs/dbraw/zinc/32/14/96/570321496.db2.gz	VFWBIJBHFJRNGA-UHFFFAOYSA-N	0	0	397.413	0.135	50	5		GCBARN
Cc1ccc(S(=O)(=O)N2CCCN(CC(=O)N(C)C)CC2)cc1[N+](=O)[O-]	ZINC000024688575	570405578	/nfs/dbraw/zinc/40/55/78/570405578.db2.gz	YXGPCWLVUNYJSD-UHFFFAOYSA-N	0	0	384.458	0.688	50	5		GCBARN
CCOC(=O)C1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000005221209	570516185	/nfs/dbraw/zinc/51/61/85/570516185.db2.gz	XSNZHYLHAYTESN-UHFFFAOYSA-N	0	0	389.364	0.993	50	5		GCBARN
Cc1nnc(C)n1-n1ccc2nc3ccn(-c4nc[nH]n4)c(=O)c3cc2c1=O	ZINC000040286461	570597489	/nfs/dbraw/zinc/59/74/89/570597489.db2.gz	OOMBENWKVWVHOT-UHFFFAOYSA-N	0	0	375.352	0.338	50	5		GCBARN
CC(=O)N1CCN(C(=O)COC(=O)CSc2ccc([N+](=O)[O-])cc2)CC1	ZINC000004219331	570623993	/nfs/dbraw/zinc/62/39/93/570623993.db2.gz	ZDVWUXMFEDCBLM-UHFFFAOYSA-N	0	0	381.410	0.921	50	5		GCBARN
NS(=O)(=O)c1ccc(NC(=O)COn2nnc3ccc([N+](=O)[O-])cc32)cc1	ZINC000002186344	570994121	/nfs/dbraw/zinc/99/41/21/570994121.db2.gz	ZPEQNYOREHFZCO-UHFFFAOYSA-N	0	0	392.353	0.054	50	5		GCBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	ZINC000020664795	1199876207	/nfs/dbraw/zinc/87/62/07/1199876207.db2.gz	QWHPOVDTIDTTQH-UHFFFAOYSA-N	0	0	399.425	0.319	50	5		GCBARN
O=C(COC(=O)CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)Nc1ncccn1	ZINC000003302289	1200028265	/nfs/dbraw/zinc/02/82/65/1200028265.db2.gz	JLUOYPSNIJRPSH-UHFFFAOYSA-N	0	0	393.743	0.950	50	5		GCBARN
CCN(CC)S(=O)(=O)c1ccc2oc3c(c(=O)c2c1)c(=O)n(C)c(=O)n3C	ZINC000040156628	1200302660	/nfs/dbraw/zinc/30/26/60/1200302660.db2.gz	JBXVEFPXKBYSMT-UHFFFAOYSA-N	0	0	393.421	0.374	50	5		GCBARN
CCOC(=O)C1=NN(C(C)=O)[C@@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000009045492	1200309479	/nfs/dbraw/zinc/30/94/79/1200309479.db2.gz	DNGWYKVFZVOCCY-QGZVFWFLSA-N	0	0	388.336	0.768	50	5		GCBARN
CN(Cc1cnn(C)c1)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	ZINC000024585739	530018410	/nfs/dbraw/zinc/01/84/10/530018410.db2.gz	XJQQFNMWSYTMFJ-UHFFFAOYSA-N	0	0	395.441	0.986	50	5		GCBARN
NS(=O)(=O)C[C@@H]1CCCN1S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000095461736	530918882	/nfs/dbraw/zinc/91/88/82/530918882.db2.gz	CQWIUZHRWGLTHV-VIFPVBQESA-N	0	0	383.835	0.690	50	5		GCBARN
CNS(=O)(=O)NC1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1	ZINC000225547396	530927773	/nfs/dbraw/zinc/92/77/73/530927773.db2.gz	BPHQISBWCPEHLV-UHFFFAOYSA-N	0	0	392.459	0.110	50	5		GCBARN
CCc1cc([N+](=O)[O-])c(NC[C@H](O)[C@H](O)[C@H](O)CO)cc1Br	ZINC000004760363	206554073	/nfs/dbraw/zinc/55/40/73/206554073.db2.gz	YGJQWVWPZJXXGY-XQQFMLRXSA-N	0	0	379.207	0.407	50	5		GCBARN
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(CCCn2cncn2)CC1	ZINC000095350403	208158569	/nfs/dbraw/zinc/15/85/69/208158569.db2.gz	KVZSIXAIKCAPMP-UHFFFAOYSA-N	0	0	380.430	0.583	50	5		GCBARN
COC(=O)[C@@H](O)CNC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000095453155	208185032	/nfs/dbraw/zinc/18/50/32/208185032.db2.gz	QNGBYUKUWNAPMW-KBPBESRZSA-N	0	0	379.369	0.158	50	5		GCBARN
COCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c1nc1ccccn1c2=O	ZINC000100627917	208379588	/nfs/dbraw/zinc/37/95/88/208379588.db2.gz	ATIYAIAVTRRTIG-ZDUSSCGKSA-N	0	0	397.435	0.684	50	5		GCBARN
Cc1cc(C(=O)NCC(=O)OCC(=O)NCC(F)(F)F)ccc1[N+](=O)[O-]	ZINC000007980760	221018162	/nfs/dbraw/zinc/01/81/62/221018162.db2.gz	XMBDMAXYBYQGPN-UHFFFAOYSA-N	0	0	377.275	0.855	50	5		GCBARN
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc2c(c1)C(=O)NC2=O	ZINC000009287807	221077063	/nfs/dbraw/zinc/07/70/63/221077063.db2.gz	UGNVYSVOHLUYDN-UHFFFAOYSA-N	0	0	394.299	0.713	50	5		GCBARN
CCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000010386977	221102823	/nfs/dbraw/zinc/10/28/23/221102823.db2.gz	QAZBSJPXHBRBIA-LLVKDONJSA-N	0	0	395.393	0.226	50	5		GCBARN
COC(=O)c1ccc(CNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc1	ZINC000012417809	221189715	/nfs/dbraw/zinc/18/97/15/221189715.db2.gz	OQKNJUIBNSMZPN-UHFFFAOYSA-N	0	0	386.324	0.939	50	5		GCBARN
COc1ccc(-n2nc([N+](=O)[O-])c(NCCCN3CCCC3=O)[n+]2[O-])cc1	ZINC000013574156	221274213	/nfs/dbraw/zinc/27/42/13/221274213.db2.gz	GYUWTCJRPFPDQX-UHFFFAOYSA-N	0	0	376.373	0.847	50	5		GCBARN
CN1CCN(c2ccc(C(=O)N[C@@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])CC1	ZINC000004372052	136193879	/nfs/dbraw/zinc/19/38/79/136193879.db2.gz	ZWCGPCUUYRFSJY-CYBMUJFWSA-N	0	0	382.442	0.264	50	5		GCBARN
CN(C1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1)S(C)(=O)=O	ZINC000048332704	570237336	/nfs/dbraw/zinc/23/73/36/570237336.db2.gz	ZKXPKOBPBSALOS-UHFFFAOYSA-N	0	0	381.414	0.463	50	5		GCBARN
COC(=O)c1ccc(OCC(=O)N[C@]2(C)CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000024938130	570362017	/nfs/dbraw/zinc/36/20/17/570362017.db2.gz	WVVBYLMCQHMFFZ-OAHLLOKOSA-N	0	0	386.382	0.454	50	5		GCBARN
COCCn1c(=O)c2ccc3c(=O)n(CCOC)c(=O)c4ccc(c1=O)c2c34	ZINC000004905898	570362504	/nfs/dbraw/zinc/36/25/04/570362504.db2.gz	AWLYOBDVSPHVDJ-UHFFFAOYSA-N	0	0	382.372	0.358	50	5		GCBARN
CCCCNC(=O)CN1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000024977626	570413211	/nfs/dbraw/zinc/41/32/11/570413211.db2.gz	XCPNLYALMXFGOI-UHFFFAOYSA-N	0	0	384.458	0.817	50	5		GCBARN
CN1CCN(c2nc3c(c(=O)[nH]c(=O)n3C)n2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000005313280	570551924	/nfs/dbraw/zinc/55/19/24/570551924.db2.gz	BMERCNYAAJPSPL-UHFFFAOYSA-N	0	0	399.411	0.132	50	5		GCBARN
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc([N+](=O)[O-])o2)c(=O)[nH]c1=O	ZINC000032988048	570575600	/nfs/dbraw/zinc/57/56/00/570575600.db2.gz	IFBSCTJPRAHYJW-UHFFFAOYSA-N	0	0	395.372	0.713	50	5		GCBARN
Cc1nnc(-n2ccc3nc4ccn(-n5c(C)nnc5C)c(=O)c4cc3c2=O)[nH]1	ZINC000040288345	570597931	/nfs/dbraw/zinc/59/79/31/570597931.db2.gz	LMPBNJPVUFFHBQ-UHFFFAOYSA-N	0	0	389.379	0.647	50	5		GCBARN
CC(=O)N[C@H]1[C@@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1cccc([N+](=O)[O-])c1	ZINC000239331312	570827855	/nfs/dbraw/zinc/82/78/55/570827855.db2.gz	KLVGSLXHQFFDRJ-DGADGQDISA-N	0	0	382.369	0.716	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(c3ncc([N+](=O)[O-])c(N)n3)CC2)cc1	ZINC000032826110	570840224	/nfs/dbraw/zinc/84/02/24/570840224.db2.gz	RCMYBHJTUWFZTK-UHFFFAOYSA-N	0	0	394.413	0.487	50	5		GCBARN
NC(=O)CCCC(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000170599498	570857791	/nfs/dbraw/zinc/85/77/91/570857791.db2.gz	QITWFSANQJAHSK-UHFFFAOYSA-N	0	0	384.414	0.083	50	5		GCBARN
CC(=O)OC[C@@H](CO)NC(=O)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000170614332	570872111	/nfs/dbraw/zinc/87/21/11/570872111.db2.gz	IULKXTZXEQTRFF-ZBFHGGJFSA-N	0	0	393.396	0.548	50	5		GCBARN
C[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CN1C(=O)N1CCOCC1	ZINC000010078673	570891265	/nfs/dbraw/zinc/89/12/65/570891265.db2.gz	UPMMOLFEGACKSQ-LBPRGKRZSA-N	0	0	384.414	0.699	50	5		GCBARN
C[C@@H](OC(=O)[C@@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CC1	ZINC000012739756	570982031	/nfs/dbraw/zinc/98/20/31/570982031.db2.gz	RTXREBAOXLVXRE-RKDXNWHRSA-N	0	0	375.337	0.790	50	5		GCBARN
COc1ccc(OC)c(NC(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1	ZINC000012760058	571008699	/nfs/dbraw/zinc/00/86/99/571008699.db2.gz	OHOSCLAQXJYUQQ-UHFFFAOYSA-N	0	0	376.325	0.511	50	5		GCBARN
CC1(C)C(=O)NC(=S)N2C(=O)C[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)N21	ZINC000009130538	1199275063	/nfs/dbraw/zinc/27/50/63/1199275063.db2.gz	PDEACTVYUNSQKB-SNVBAGLBSA-N	0	0	377.382	0.545	50	5		GCBARN
O=C([C@@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000002474975	1199919196	/nfs/dbraw/zinc/91/91/96/1199919196.db2.gz	KQPQPZUVEBYFTB-AWEZNQCLSA-N	0	0	383.426	0.997	50	5		GCBARN
COc1ccc(C(=O)C[C@@]2(O)c3ccccc3N(CC(N)=O)C2=O)cc1[N+](=O)[O-]	ZINC000003005136	1199975222	/nfs/dbraw/zinc/97/52/22/1199975222.db2.gz	OILMOWZKOWMEBL-LJQANCHMSA-N	0	0	399.359	0.896	50	5		GCBARN
Cn1c(N)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)c(=O)n(C)c1=O	ZINC000003232965	1200009418	/nfs/dbraw/zinc/00/94/18/1200009418.db2.gz	DBIIYFSRUOHELI-UHFFFAOYSA-N	0	0	396.743	0.268	50	5		GCBARN
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)N1CCCCC1	ZINC000008644095	1200245827	/nfs/dbraw/zinc/24/58/27/1200245827.db2.gz	JAQLFSIHYOPODZ-UHFFFAOYSA-N	0	0	375.337	0.747	50	5		GCBARN
NC(=O)c1cc([N+](=O)[O-])cn(CC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1=O	ZINC000040050087	1200297856	/nfs/dbraw/zinc/29/78/56/1200297856.db2.gz	SHEIGGQILOPFMR-UHFFFAOYSA-N	0	0	387.352	0.302	50	5		GCBARN
NC(=O)CNC(=O)c1ccc(CNC(=O)COc2ccccc2[N+](=O)[O-])cc1	ZINC000040119347	1200300803	/nfs/dbraw/zinc/30/08/03/1200300803.db2.gz	DCTIHWNKEPBSNS-UHFFFAOYSA-N	0	0	386.364	0.505	50	5		GCBARN
CCS(=O)(=O)N1CCC(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1	ZINC000012846874	530640593	/nfs/dbraw/zinc/64/05/93/530640593.db2.gz	NAQOLDSPLFDGRG-UHFFFAOYSA-N	0	0	391.471	0.996	50	5		GCBARN
Cn1ncc(I)c1C(=O)NCCn1cc([N+](=O)[O-])cn1	ZINC000002770992	530930687	/nfs/dbraw/zinc/93/06/87/530930687.db2.gz	LZHMRVOGZDFNCZ-UHFFFAOYSA-N	0	0	390.141	0.559	50	5		GCBARN
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002501547	530927623	/nfs/dbraw/zinc/92/76/23/530927623.db2.gz	IOUPLWDACNSBDM-UHFFFAOYSA-N	0	0	385.423	0.763	50	5		GCBARN
Cn1c2nc(Cl)n(CC(=O)c3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000001067102	212212549	/nfs/dbraw/zinc/21/25/49/212212549.db2.gz	GFLCMUUHOLOZOK-UHFFFAOYSA-N	0	0	377.744	0.878	50	5	biogenic	GCBARN
CNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000788679	212180909	/nfs/dbraw/zinc/18/09/09/212180909.db2.gz	FNZQKXZZMHZBEF-UHFFFAOYSA-N	0	0	396.451	0.129	50	5		GCBARN
CCOc1ccc(NC(=O)C[C@@H]([NH2+]CCOCCO)C(=O)[O-])c([N+](=O)[O-])c1	ZINC000010434215	206392220	/nfs/dbraw/zinc/39/22/20/206392220.db2.gz	VUSGBSNVJVFKLE-CYBMUJFWSA-N	0	0	385.373	0.374	50	5		GCBARN
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000003331547	206470978	/nfs/dbraw/zinc/47/09/78/206470978.db2.gz	HPODFFQNZOWMFZ-AWEZNQCLSA-N	0	0	378.341	0.966	50	5		GCBARN
C[S@](=O)c1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000022288853	207250694	/nfs/dbraw/zinc/25/06/94/207250694.db2.gz	HREUPMZUQWWNDI-YGWIHHTISA-N	0	0	392.480	0.728	50	5		GCBARN
COC(=O)c1cc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1	ZINC000036392302	207528738	/nfs/dbraw/zinc/52/87/38/207528738.db2.gz	CMQWYJJZOWPTHI-UHFFFAOYSA-N	0	0	385.398	0.535	50	5		GCBARN
CS(=O)(=O)N1CCC(CNC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	ZINC000083984785	208087669	/nfs/dbraw/zinc/08/76/69/208087669.db2.gz	LMLIXOOPINUVFE-UHFFFAOYSA-N	0	0	399.425	0.767	50	5		GCBARN
Cc1cc(C(=O)NCC(=O)O[C@H](C)C(=O)N2CCOCC2)ccc1[N+](=O)[O-]	ZINC000011626609	208764436	/nfs/dbraw/zinc/76/44/36/208764436.db2.gz	UHKKZSOYGISVAU-GFCCVEGCSA-N	0	0	379.369	0.424	50	5		GCBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N1CCOCC1	ZINC000005826845	220900289	/nfs/dbraw/zinc/90/02/89/220900289.db2.gz	UNEHDXLCONOHFK-UHFFFAOYSA-N	0	0	379.369	0.447	50	5		GCBARN
CCOC(=O)C1=NN(N=O)[C@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000009357099	221078817	/nfs/dbraw/zinc/07/88/17/221078817.db2.gz	VXNOYVGFJCMXLE-HNNXBMFYSA-N	0	0	375.297	0.903	50	5		GCBARN
C[C@H](OC(=O)[C@@H]1CCCN1S(C)(=O)=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012809984	221234417	/nfs/dbraw/zinc/23/44/17/221234417.db2.gz	YKCDABSKBCLRQT-GWCFXTLKSA-N	0	0	385.398	0.889	50	5		GCBARN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000012805831	221234830	/nfs/dbraw/zinc/23/48/30/221234830.db2.gz	FUUQAPOMLLPWQO-SNVBAGLBSA-N	0	0	398.372	0.838	50	5		GCBARN
Cc1nn(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)c(C)c1[N+](=O)[O-]	ZINC000013040944	221259228	/nfs/dbraw/zinc/25/92/28/221259228.db2.gz	VZMNTGPJYMPCGS-UHFFFAOYSA-N	0	0	381.414	0.414	50	5		GCBARN
CS(=O)(=O)N1CCC(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000024118899	221608412	/nfs/dbraw/zinc/60/84/12/221608412.db2.gz	CFVQRRDMVZJSSO-UHFFFAOYSA-N	0	0	385.398	0.748	50	5		GCBARN
COCCn1nc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)ccc1=O	ZINC000049574646	222001092	/nfs/dbraw/zinc/00/10/92/222001092.db2.gz	QDQKALMHTOVGPZ-UHFFFAOYSA-N	0	0	394.315	0.733	50	5		GCBARN
CN(CCN1CCOC1=O)C(=O)CN1C(=O)COc2ccc([N+](=O)[O-])cc21	ZINC000089346192	536376197	/nfs/dbraw/zinc/37/61/97/536376197.db2.gz	NKTVHXGZPXEZFT-UHFFFAOYSA-N	0	0	378.341	0.231	50	5		GCBARN
CCOC(=O)NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000032945547	570306102	/nfs/dbraw/zinc/30/61/02/570306102.db2.gz	YBGTTZBIKHGKOY-UHFFFAOYSA-N	0	0	381.341	0.861	50	5		GCBARN
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1CCO	ZINC000100817069	570450466	/nfs/dbraw/zinc/45/04/66/570450466.db2.gz	UJWHKYYFEIMZDP-UHFFFAOYSA-N	0	0	379.376	0.644	50	5		GCBARN
NS(=O)(=O)c1ccc(NCCC(=O)NCc2ccccn2)c([N+](=O)[O-])c1	ZINC000024274103	570485995	/nfs/dbraw/zinc/48/59/95/570485995.db2.gz	PTVNHALTNYOSKR-UHFFFAOYSA-N	0	0	379.398	0.756	50	5		GCBARN
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)cc1	ZINC000002621828	570591115	/nfs/dbraw/zinc/59/11/15/570591115.db2.gz	AWJPKWODLKBIHU-UHFFFAOYSA-N	0	0	397.365	0.351	50	5		GCBARN
Cc1c(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cccc1[N+](=O)[O-]	ZINC000003287515	570601726	/nfs/dbraw/zinc/60/17/26/570601726.db2.gz	BCVGZZSLIOHXQS-UHFFFAOYSA-N	0	0	381.366	0.872	50	5		GCBARN
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	ZINC000013689853	570668526	/nfs/dbraw/zinc/66/85/26/570668526.db2.gz	GPRADSQSOITUAC-KBXCAEBGSA-N	0	0	388.380	0.829	50	5		GCBARN
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@@H]32)C1=O	ZINC000036585420	570744642	/nfs/dbraw/zinc/74/46/42/570744642.db2.gz	VYSZYUXUYGNXCZ-MLGOLLRUSA-N	0	0	376.394	0.767	50	5		GCBARN
CCOC(=O)N1CCC(NC(=O)COC(=O)c2cc([N+](=O)[O-])cn2C)CC1	ZINC000021839955	570750422	/nfs/dbraw/zinc/75/04/22/570750422.db2.gz	XURWOBZCRBTAGR-UHFFFAOYSA-N	0	0	382.373	0.827	50	5		GCBARN
N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1CCO	ZINC000100870205	570777137	/nfs/dbraw/zinc/77/71/37/570777137.db2.gz	IUDOQACMQFJJED-UHFFFAOYSA-N	0	0	396.428	0.954	50	5		GCBARN
O=C(Cn1cnc2c(cnn2-c2ccc([N+](=O)[O-])cc2)c1=O)N1CCOCC1	ZINC000032801740	570820234	/nfs/dbraw/zinc/82/02/34/570820234.db2.gz	MDACUWVPYQJIMN-UHFFFAOYSA-N	0	0	384.352	0.349	50	5		GCBARN
CC(=O)N[C@H]1[C@H](O)[C@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1ccc([N+](=O)[O-])cc1	ZINC000239274983	570825340	/nfs/dbraw/zinc/82/53/40/570825340.db2.gz	BAQKZBVEURTTFC-OLMNGRFOSA-N	0	0	382.369	0.716	50	5		GCBARN
O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)NC[C@H]1CCCO1	ZINC000005708764	570838324	/nfs/dbraw/zinc/83/83/24/570838324.db2.gz	YLEGEVBEFFIQBR-CQSZACIVSA-N	0	0	393.396	0.883	50	5		GCBARN
Nc1nnc(CCNc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])o1	ZINC000170603343	570862831	/nfs/dbraw/zinc/86/28/31/570862831.db2.gz	GZPFLBAWWOWFGT-UHFFFAOYSA-N	0	0	398.401	0.236	50	5		GCBARN
CC(=O)OC[C@@H](CO)NC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000170614330	570872330	/nfs/dbraw/zinc/87/23/30/570872330.db2.gz	IULKXTZXEQTRFF-GDBMZVCRSA-N	0	0	393.396	0.548	50	5		GCBARN
CC1CCN(CN2c3ccccc3C3(OCC(CO)([N+](=O)[O-])CO3)C2=O)CC1	ZINC000004558161	570882120	/nfs/dbraw/zinc/88/21/20/570882120.db2.gz	SAKBIDSEABOFDE-UHFFFAOYSA-N	0	0	391.424	0.930	50	5		GCBARN
COc1ncnc(SCc2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)c1NC(C)=O	ZINC000002074924	570932259	/nfs/dbraw/zinc/93/22/59/570932259.db2.gz	GSJYDVLTXNAWAW-UHFFFAOYSA-N	0	0	396.385	0.042	50	5		GCBARN
O=C(OCc1ccc([N+](=O)[O-])cc1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1	ZINC000012757131	571008957	/nfs/dbraw/zinc/00/89/57/571008957.db2.gz	WEWKURFCJKRFCM-CYBMUJFWSA-N	0	0	395.393	0.804	50	5		GCBARN
Cc1cccc([N+](=O)[O-])c1NC(=O)Cn1cc(S(=O)(=O)N(C)C)ccc1=O	ZINC000025033466	1192850358	/nfs/dbraw/zinc/85/03/58/1192850358.db2.gz	XTXIHFIQSSRKJF-UHFFFAOYSA-N	0	0	394.409	0.954	50	5		GCBARN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@H]2[C@H](C)O1	ZINC000146987124	1189670392	/nfs/dbraw/zinc/67/03/92/1189670392.db2.gz	FQYREZYGRNGXNE-JMZRSRGHSA-N	0	0	388.380	0.828	50	5		GCBARN
CS(=O)(=O)N1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000009015576	1199256616	/nfs/dbraw/zinc/25/66/16/1199256616.db2.gz	LEQYOFJXPDOJLO-UHFFFAOYSA-N	0	0	398.441	0.149	50	5		GCBARN
C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)n1ccnc1	ZINC000040143476	1200301490	/nfs/dbraw/zinc/30/14/90/1200301490.db2.gz	GKKFZOZFGBKONF-CYBMUJFWSA-N	0	0	393.425	0.885	50	5		GCBARN
CNC(=O)NC(=O)[C@@H](C)OC(=O)[C@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000009255206	1200354746	/nfs/dbraw/zinc/35/47/46/1200354746.db2.gz	SOXOHTLZFCVHDM-BDAKNGLRSA-N	0	0	387.370	0.144	50	5		GCBARN
CNS(=O)(=O)NC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1	ZINC000225534232	222682840	/nfs/dbraw/zinc/68/28/40/222682840.db2.gz	MCNMVUZVMVGDHU-UHFFFAOYSA-N	0	0	392.459	0.021	50	5		GCBARN
CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000001175895	530125862	/nfs/dbraw/zinc/12/58/62/530125862.db2.gz	PDHOEZXEVJTFJL-UHFFFAOYSA-N	0	0	377.444	0.641	50	5		GCBARN
O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1	ZINC000005745926	530380114	/nfs/dbraw/zinc/38/01/14/530380114.db2.gz	BKDZGPMCAWWFFS-VIFPVBQESA-N	0	0	376.774	0.708	50	5		GCBARN
CN(C1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])CC1)S(C)(=O)=O	ZINC000048333650	530454409	/nfs/dbraw/zinc/45/44/09/530454409.db2.gz	DTMIEFLXMVBBDL-UHFFFAOYSA-N	0	0	392.459	0.102	50	5		GCBARN
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NC2CCN(S(C)(=O)=O)CC2)c1C	ZINC000013001731	530902329	/nfs/dbraw/zinc/90/23/29/530902329.db2.gz	BTYQQTBYKYBRIL-UHFFFAOYSA-N	0	0	391.471	0.914	50	5		GCBARN
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009907370	530878550	/nfs/dbraw/zinc/87/85/50/530878550.db2.gz	PXPKAMHNNMNVRE-UHFFFAOYSA-N	0	0	385.423	0.763	50	5		GCBARN
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H](S(N)(=O)=O)C2)cc1C	ZINC000095365169	530918301	/nfs/dbraw/zinc/91/83/01/530918301.db2.gz	KREJVYNGZFCIOJ-NSHDSACASA-N	0	0	377.444	0.653	50	5		GCBARN
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])s1	ZINC000009129063	530981414	/nfs/dbraw/zinc/98/14/14/530981414.db2.gz	OMUUSBIMUOKTPF-SECBINFHSA-N	0	0	375.428	0.422	50	5		GCBARN
CSc1ccc(S(=O)(=O)NCC(=O)O[C@@H]2CCOC2=O)cc1[N+](=O)[O-]	ZINC000010021539	530988800	/nfs/dbraw/zinc/98/88/00/530988800.db2.gz	YWWVMUXKEYAIMC-SNVBAGLBSA-N	0	0	390.395	0.454	50	5		GCBARN
Cn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)n(C)c(=O)n2C	ZINC000001066372	212212121	/nfs/dbraw/zinc/21/21/21/212212121.db2.gz	MZKIFZZUTISZMW-UHFFFAOYSA-N	0	0	389.393	0.854	50	5	biogenic	GCBARN
COc1ccc(C(=O)OCC(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	ZINC000009612820	212204429	/nfs/dbraw/zinc/20/44/29/212204429.db2.gz	VCNYSSOSKQWBRP-LLVKDONJSA-N	0	0	386.382	0.406	50	5		GCBARN
CC1(C)O[C@@H]2O[C@@H]([C@@H](O)CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@H](O)[C@@H]2O1	ZINC000025666703	212107706	/nfs/dbraw/zinc/10/77/06/212107706.db2.gz	JOSZNIQNSXHFKQ-PEDHHIEDSA-N	0	0	385.329	0.513	50	5		GCBARN
CCOCCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000002883275	206443550	/nfs/dbraw/zinc/44/35/50/206443550.db2.gz	CNOGTYCFCYQFLS-UHFFFAOYSA-N	0	0	389.430	0.912	50	5		GCBARN
CC(=O)N1CCN(c2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	ZINC000009662978	206796446	/nfs/dbraw/zinc/79/64/46/206796446.db2.gz	MPEXSSVONROABM-UHFFFAOYSA-N	0	0	398.441	0.284	50	5		GCBARN
C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@H](C)C(=O)N1CCOCC1	ZINC000014184333	207013402	/nfs/dbraw/zinc/01/34/02/207013402.db2.gz	JAWABBDKNQFOJW-VXGBXAGGSA-N	0	0	379.369	0.504	50	5		GCBARN
C[C@@H](C(=O)NC1CC1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000022195277	207247640	/nfs/dbraw/zinc/24/76/40/207247640.db2.gz	ISAZTDHLXRCHMD-LBPRGKRZSA-N	0	0	382.442	0.568	50	5		GCBARN
C[S@@](=O)c1ccc(SCC(=O)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000022288850	207250903	/nfs/dbraw/zinc/25/09/03/207250903.db2.gz	HREUPMZUQWWNDI-KLVQOETNSA-N	0	0	392.480	0.728	50	5		GCBARN
O=C1CCCN1c1ccc(S(=O)(=O)NCCn2ccc([N+](=O)[O-])n2)cc1	ZINC000036614718	207532982	/nfs/dbraw/zinc/53/29/82/207532982.db2.gz	LIQNVKUMJZDLKJ-UHFFFAOYSA-N	0	0	379.398	0.897	50	5		GCBARN
Cc1cc(C(=O)N2CCC[C@@H]2C(=O)NCCNC(=O)N(C)C)ccc1[N+](=O)[O-]	ZINC000095458497	208185655	/nfs/dbraw/zinc/18/56/55/208185655.db2.gz	XOVNJELFFFPVNX-OAHLLOKOSA-N	0	0	391.428	0.895	50	5		GCBARN
CC(=O)N1N=C(c2c([O-])n(C)c(=O)n(C)c2=O)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000101456359	208394431	/nfs/dbraw/zinc/39/44/31/208394431.db2.gz	WMZMCLXVCYKTPK-CYBMUJFWSA-N	0	0	387.352	0.395	50	5		GCBARN
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(C(=O)[C@H]2CCCO2)CC1	ZINC000003331545	220628847	/nfs/dbraw/zinc/62/88/47/220628847.db2.gz	HPODFFQNZOWMFZ-CQSZACIVSA-N	0	0	378.341	0.966	50	5		GCBARN
Cc1nn(CC(=O)OCC(=O)NCc2ccc3c(c2)OCO3)c(C)c1[N+](=O)[O-]	ZINC000003416659	220640619	/nfs/dbraw/zinc/64/06/19/220640619.db2.gz	NLNIKOQAASQVLX-UHFFFAOYSA-N	0	0	390.352	0.996	50	5		GCBARN
O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NCCN1C(=O)CSC1=O	ZINC000003445634	220644794	/nfs/dbraw/zinc/64/47/94/220644794.db2.gz	JTXKAPCETCTGQM-UHFFFAOYSA-N	0	0	391.365	0.116	50	5		GCBARN
CCOC(=O)c1cn(CCNS(=O)(=O)c2ccc(OC)cc2[N+](=O)[O-])cn1	ZINC000253429427	209041476	/nfs/dbraw/zinc/04/14/76/209041476.db2.gz	NHLJZFBQAGMXAH-UHFFFAOYSA-N	0	0	398.397	0.955	50	5		GCBARN
Cn1nnnc1Sc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009119582	221070690	/nfs/dbraw/zinc/07/06/90/221070690.db2.gz	XOBQAWNLJHKEES-UHFFFAOYSA-N	0	0	386.415	0.290	50	5		GCBARN
C[C@]1(NC(=S)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000009439459	221081809	/nfs/dbraw/zinc/08/18/09/221081809.db2.gz	CXCLMCCMXIEZRG-LBPRGKRZSA-N	0	0	389.415	0.871	50	5		GCBARN
O=C(COC(=O)Cn1nnc(-c2ccccc2)n1)Nc1ncc([N+](=O)[O-])s1	ZINC000009440887	221082022	/nfs/dbraw/zinc/08/20/22/221082022.db2.gz	OFCRRJVKFLBNNZ-UHFFFAOYSA-N	0	0	389.353	0.887	50	5		GCBARN
O=C(Cn1nc([N+](=O)[O-])nc1Oc1ccc2c(c1)OCO2)N1CCOCC1	ZINC000012375191	221186754	/nfs/dbraw/zinc/18/67/54/221186754.db2.gz	HRJUVMRDQVFKHM-UHFFFAOYSA-N	0	0	377.313	0.566	50	5		GCBARN
CCN(CC)S(=O)(=O)N1CCN(c2ccc(C(N)=O)cc2[N+](=O)[O-])CC1	ZINC000012634601	221216939	/nfs/dbraw/zinc/21/69/39/221216939.db2.gz	CHVXGUDXSLZFTR-UHFFFAOYSA-N	0	0	385.446	0.402	50	5		GCBARN
C[C@@H]1CN(c2nc(NCCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000013771024	221288072	/nfs/dbraw/zinc/28/80/72/221288072.db2.gz	AXCHCUHMOKZCJU-BETUJISGSA-N	0	0	395.464	0.715	50	5		GCBARN
CCOC(=O)[C@H]1C([O-])=NC(N2CCOCC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162928	221301495	/nfs/dbraw/zinc/30/14/95/221301495.db2.gz	KCZZKARFNGFYKR-ZIAGYGMSSA-N	0	0	376.369	0.633	50	5		GCBARN
COc1cn2c(cc1=O)C(=O)N(CCNC(=O)c1ccc([N+](=O)[O-])o1)CC2	ZINC000016850475	221374119	/nfs/dbraw/zinc/37/41/19/221374119.db2.gz	ULEIDGLWWZPNOP-UHFFFAOYSA-N	0	0	376.325	0.244	50	5		GCBARN
O=[N+]([O-])c1c2cccnc2ccc1N1CCN(S(=O)(=O)c2nc[nH]n2)CC1	ZINC000097162101	136188169	/nfs/dbraw/zinc/18/81/69/136188169.db2.gz	BDNFRTPLASWQQV-UHFFFAOYSA-N	0	0	389.397	0.772	50	5		GCBARN
C[C@@]1(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)CCS(=O)(=O)C1	ZINC000022357944	221558794	/nfs/dbraw/zinc/55/87/94/221558794.db2.gz	KKTKPFLPQRHHDE-OAHLLOKOSA-N	0	0	386.430	0.104	50	5		GCBARN
CC1(C)O[C@@H]2O[C@@H]([C@H](O)CNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[C@@H](O)[C@@H]2O1	ZINC000019891267	570232216	/nfs/dbraw/zinc/23/22/16/570232216.db2.gz	JOSZNIQNSXHFKQ-DGTMBMJNSA-N	0	0	385.329	0.513	50	5		GCBARN
Nc1nc(NCCCN2CCOCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-]	ZINC000020266164	570250714	/nfs/dbraw/zinc/25/07/14/570250714.db2.gz	IJHPLMOPTUXWIX-GFCCVEGCSA-N	0	0	381.437	0.692	50	5		GCBARN
CN1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])CC1	ZINC000035574333	570401701	/nfs/dbraw/zinc/40/17/01/570401701.db2.gz	XCMPHRKAKOWIPT-UHFFFAOYSA-N	0	0	383.474	0.283	50	5		GCBARN
CC1CCN(C(=O)COC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000006591518	570489031	/nfs/dbraw/zinc/48/90/31/570489031.db2.gz	WIPVGIIFNUJZTA-UHFFFAOYSA-N	0	0	389.364	0.993	50	5		GCBARN
O=C(C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)N1CCOCC1)N1CCOCC1	ZINC000005344428	570556613	/nfs/dbraw/zinc/55/66/13/570556613.db2.gz	RTKMINAXKDSNSL-UHFFFAOYSA-N	0	0	375.381	0.696	50	5		GCBARN
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@H]32)C1=O	ZINC000013690573	570668719	/nfs/dbraw/zinc/66/87/19/570668719.db2.gz	VYSZYUXUYGNXCZ-BLLLJJGKSA-N	0	0	376.394	0.767	50	5		GCBARN
COC(=O)C1=NNC(C(=O)OC)=C2CO[C@@H](c3ccc([N+](=O)[O-])cc3)OC[C@H]12	ZINC000006878973	570670229	/nfs/dbraw/zinc/67/02/29/570670229.db2.gz	ZYWVWHSFPFMQEF-GTNSWQLSSA-N	0	0	391.336	0.816	50	5		GCBARN
CN1C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C(=O)N(C)C1=S	ZINC000004624010	570701128	/nfs/dbraw/zinc/70/11/28/570701128.db2.gz	DQQHMYSPZFXUAD-CYBMUJFWSA-N	0	0	390.421	0.558	50	5		GCBARN
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCO	ZINC000100895242	570779639	/nfs/dbraw/zinc/77/96/39/570779639.db2.gz	JVHSQVJMKHPCOE-GFCCVEGCSA-N	0	0	383.408	0.030	50	5		GCBARN
CC(=O)N[C@H]1[C@@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1OCc1ccc([N+](=O)[O-])cc1	ZINC000002132804	570961910	/nfs/dbraw/zinc/96/19/10/570961910.db2.gz	OOFFXOCMFXFNIN-ZHCJQAHYSA-N	0	0	396.396	0.853	50	5	biogenic	GCBARN
CC(CCN([N+](=O)[O-])S(=O)(=O)c1ccc([N+](=O)[O-])cc1)([N+](=O)[O-])[N+](=O)[O-]	ZINC000033354447	570995664	/nfs/dbraw/zinc/99/56/64/570995664.db2.gz	AIKMTLJZFRLRIU-UHFFFAOYSA-N	0	0	393.290	0.437	50	5		GCBARN
Cn1c2ncn(CC(=O)Nc3cc([N+](=O)[O-])ccc3F)c2c(=O)n(C)c1=O	ZINC000002202966	570998010	/nfs/dbraw/zinc/99/80/10/570998010.db2.gz	AWJIRSSXQNFKLP-UHFFFAOYSA-N	0	0	376.304	0.120	50	5		GCBARN
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@H]32)C1=O	ZINC000230041581	1199934891	/nfs/dbraw/zinc/93/48/91/1199934891.db2.gz	VYSZYUXUYGNXCZ-LRDDRELGSA-N	0	0	376.394	0.972	50	5		GCBARN
Cc1ccc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)cc1[N+](=O)[O-]	ZINC000003360929	1200040868	/nfs/dbraw/zinc/04/08/68/1200040868.db2.gz	YBGJWFBHFKEVFR-UHFFFAOYSA-N	0	0	381.366	0.872	50	5		GCBARN
O=C(OCn1nnc2ccccc2c1=O)c1cc([N+](=O)[O-])ccc1NCCO	ZINC000009715311	1200397891	/nfs/dbraw/zinc/39/78/91/1200397891.db2.gz	RVEGVUBUTPFOCP-UHFFFAOYSA-N	0	0	385.336	0.918	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NC1CCN(S(C)(=O)=O)CC1	ZINC000012972356	530870528	/nfs/dbraw/zinc/87/05/28/530870528.db2.gz	FSKAXIZYPNWBRV-UHFFFAOYSA-N	0	0	377.444	0.606	50	5		GCBARN
O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1	ZINC000012289033	530895146	/nfs/dbraw/zinc/89/51/46/530895146.db2.gz	BBWFHLLHICTSSP-QMMMGPOBSA-N	0	0	375.384	0.898	50	5		GCBARN
COCCCNC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	ZINC000002864408	530931369	/nfs/dbraw/zinc/93/13/69/530931369.db2.gz	WSJYBNIVOMLXQZ-UHFFFAOYSA-N	0	0	375.403	0.522	50	5		GCBARN
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])s1	ZINC000009129065	530981620	/nfs/dbraw/zinc/98/16/20/530981620.db2.gz	OMUUSBIMUOKTPF-VIFPVBQESA-N	0	0	375.428	0.422	50	5		GCBARN
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)c(Cl)c1	ZINC000009192162	530983452	/nfs/dbraw/zinc/98/34/52/530983452.db2.gz	ATFNAJOIZHTVHX-UHFFFAOYSA-N	0	0	390.849	0.947	50	5		GCBARN
O=[N+]([O-])c1ccc(NNC(=S)N[C@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000009439576	530988118	/nfs/dbraw/zinc/98/81/18/530988118.db2.gz	YBZRMAVIKDLOMJ-ZETCQYMHSA-N	0	0	375.388	0.481	50	5		GCBARN
CC[C@@H]([C@@H](c1cc(OC)cc(OC)c1)c1c(N)n(C)c(=O)n(C)c1=O)[N+](=O)[O-]	ZINC000001046177	206345260	/nfs/dbraw/zinc/34/52/60/206345260.db2.gz	XSEYTKPCVQSNGO-UONOGXRCSA-N	0	0	392.412	0.871	50	5		GCBARN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000002661960	206427079	/nfs/dbraw/zinc/42/70/79/206427079.db2.gz	WHRMIACERZRUBG-LLVKDONJSA-N	0	0	386.382	0.450	50	5		GCBARN
NC(=O)C1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	ZINC000009338774	206783765	/nfs/dbraw/zinc/78/37/65/206783765.db2.gz	YWJUSDBXBWCGEC-UHFFFAOYSA-N	0	0	398.441	0.317	50	5		GCBARN
CCN(C(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)[C@@H]1CCS(=O)(=O)C1	ZINC000012533548	206908164	/nfs/dbraw/zinc/90/81/64/206908164.db2.gz	DWHSOQVVRDUICE-GFCCVEGCSA-N	0	0	394.409	0.340	50	5		GCBARN
C[C@@H]1CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000013769720	207000082	/nfs/dbraw/zinc/00/00/82/207000082.db2.gz	PDCXSFOPCAPIOP-TXEJJXNPSA-N	0	0	381.437	0.325	50	5		GCBARN
CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](CO)C3)c([N+](=O)[O-])c2)CC1	ZINC000015210055	207047945	/nfs/dbraw/zinc/04/79/45/207047945.db2.gz	WVPRJPJKOKWFIC-CQSZACIVSA-N	0	0	398.485	0.740	50	5		GCBARN
O=C(Nc1ncc([N+](=O)[O-])s1)C1CCN(S(=O)(=O)c2c[nH]cn2)CC1	ZINC000015974483	207068531	/nfs/dbraw/zinc/06/85/31/207068531.db2.gz	LXDXKFNZVSTMIS-UHFFFAOYSA-N	0	0	386.415	0.814	50	5		GCBARN
COC[C@@H](COCCCNC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21)OC	ZINC000015745616	207060054	/nfs/dbraw/zinc/06/00/54/207060054.db2.gz	NZJILIKUHKBSAA-LBPRGKRZSA-N	0	0	387.414	0.701	50	5		GCBARN
C[S@](=O)c1ccc(SCC(=O)N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000022288846	207251441	/nfs/dbraw/zinc/25/14/41/207251441.db2.gz	HREUPMZUQWWNDI-XQHREBAHSA-N	0	0	392.480	0.728	50	5		GCBARN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C2)CC1	ZINC000024365794	207290104	/nfs/dbraw/zinc/29/01/04/207290104.db2.gz	FIAZDJWBLCGETJ-LBPRGKRZSA-N	0	0	396.425	0.706	50	5		GCBARN
COC(=O)c1cc(C(=O)N2CCCN(S(C)(=O)=O)CC2)cc([N+](=O)[O-])c1	ZINC000024777446	207294974	/nfs/dbraw/zinc/29/49/74/207294974.db2.gz	ZFWRQZXURLJRIM-UHFFFAOYSA-N	0	0	385.398	0.489	50	5		GCBARN
C[C@@H]1CN(S(=O)(=O)CCNC(=O)Cc2ccccc2[N+](=O)[O-])C[C@H](C)O1	ZINC000029188128	207358267	/nfs/dbraw/zinc/35/82/67/207358267.db2.gz	NYFSDLXSHJWIDJ-BETUJISGSA-N	0	0	385.442	0.693	50	5		GCBARN
CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000024978432	208871152	/nfs/dbraw/zinc/87/11/52/208871152.db2.gz	HYLNXEAUGIBHDJ-UHFFFAOYSA-N	0	0	380.382	0.646	50	5		GCBARN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)O[C@@H](C)C(=O)N1CCOCC1	ZINC000011778427	221125090	/nfs/dbraw/zinc/12/50/90/221125090.db2.gz	JAWABBDKNQFOJW-RYUDHWBXSA-N	0	0	379.369	0.504	50	5		GCBARN
CCOC(=O)N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	ZINC000016426803	221362430	/nfs/dbraw/zinc/36/24/30/221362430.db2.gz	IOZZPZHRWVWLGH-UHFFFAOYSA-N	0	0	390.352	0.492	50	5		GCBARN
CCS(=O)(=O)N1CC(CNC(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000170603230	222555545	/nfs/dbraw/zinc/55/55/45/222555545.db2.gz	BEWNURWWVZWFBW-UHFFFAOYSA-N	0	0	393.425	0.792	50	5		GCBARN
CCN(CC)S(=O)(=O)N1CCN(CC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000035269207	570278543	/nfs/dbraw/zinc/27/85/43/570278543.db2.gz	XOMAGHRUAMNZEH-UHFFFAOYSA-N	0	0	399.473	0.738	50	5		GCBARN
O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc32)CC1)N1CCNC1=O	ZINC000035269420	570278819	/nfs/dbraw/zinc/27/88/19/570278819.db2.gz	ZSPITNUAVOJQSE-UHFFFAOYSA-N	0	0	384.396	0.817	50	5		GCBARN
CN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)CC1	ZINC000035347535	570343490	/nfs/dbraw/zinc/34/34/90/570343490.db2.gz	VMARIWRVTDUYQU-UHFFFAOYSA-N	0	0	383.474	0.283	50	5		GCBARN
COCCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCCO)c1=N	ZINC000100630557	570419639	/nfs/dbraw/zinc/41/96/39/570419639.db2.gz	NFIURJJXVSUBBI-UHFFFAOYSA-N	0	0	399.451	0.586	50	5		GCBARN
O=C(NCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@@H]12	ZINC000035894311	570474275	/nfs/dbraw/zinc/47/42/75/570474275.db2.gz	UTIKMIPDLCKRHU-AEFFLSMTSA-N	0	0	390.440	0.421	50	5		GCBARN
CCOC(=O)N1CCN(c2cc(N(C)CCO)c([N+](=O)[O-])c3nonc32)CC1	ZINC000013524144	570639490	/nfs/dbraw/zinc/63/94/90/570639490.db2.gz	MJINYBDLMAFFCO-UHFFFAOYSA-N	0	0	394.388	0.838	50	5		GCBARN
COCCCNC(=O)c1cc2c(nc3ccccn3c2=O)n(CCCO)c1=N	ZINC000100831637	570776237	/nfs/dbraw/zinc/77/62/37/570776237.db2.gz	DDMYPKKUSGCQKB-UHFFFAOYSA-N	0	0	385.424	0.277	50	5		GCBARN
N=c1c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc2n1CCO	ZINC000100871222	570777051	/nfs/dbraw/zinc/77/70/51/570777051.db2.gz	CRNNOGBVQKSTKF-UHFFFAOYSA-N	0	0	390.403	0.446	50	5		GCBARN
COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(S(=O)(=O)N2CCCC2)CC1	ZINC000023102552	570903887	/nfs/dbraw/zinc/90/38/87/570903887.db2.gz	INRMTTBWOMWKDQ-UHFFFAOYSA-N	0	0	398.441	0.702	50	5		GCBARN
Cc1ccc(S(=O)(=O)NC2CCN(CC(=O)NC3CC3)CC2)cc1[N+](=O)[O-]	ZINC000032934604	570946946	/nfs/dbraw/zinc/94/69/46/570946946.db2.gz	ZNQKJEZJEAVWSO-UHFFFAOYSA-N	0	0	396.469	0.925	50	5		GCBARN
CC1(C)C(=O)NC(=S)N2C(=O)C[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)N21	ZINC000009130537	1199274920	/nfs/dbraw/zinc/27/49/20/1199274920.db2.gz	PDEACTVYUNSQKB-JTQLQIEISA-N	0	0	377.382	0.545	50	5		GCBARN
CN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)NC1=S	ZINC000230027645	1199934457	/nfs/dbraw/zinc/93/44/57/1199934457.db2.gz	LUILEKXJTXCSRN-LRDDRELGSA-N	0	0	376.394	0.216	50	5		GCBARN
Cn1c2c(nc1N1CCN(c3ccc([N+](=O)[O-])cc3)CC1)n(C)c(=O)n(C)c2=O	ZINC000003998382	1200110521	/nfs/dbraw/zinc/11/05/21/1200110521.db2.gz	ORSGITBIWYHLPD-UHFFFAOYSA-N	0	0	399.411	0.206	50	5		GCBARN
O=C(COC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC1CCCC1	ZINC000004313807	1200175956	/nfs/dbraw/zinc/17/59/56/1200175956.db2.gz	IDKVYIQYFYQVMN-UHFFFAOYSA-N	0	0	375.337	0.793	50	5		GCBARN
CCOC(=O)c1[nH]c(C)c(C(=O)Cn2cc([N+](=O)[O-])cc(C(N)=O)c2=O)c1C	ZINC000040050088	1200297549	/nfs/dbraw/zinc/29/75/49/1200297549.db2.gz	CVWNOEZXPSTARY-UHFFFAOYSA-N	0	0	390.352	0.860	50	5		GCBARN
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000040115797	1200300108	/nfs/dbraw/zinc/30/01/08/1200300108.db2.gz	NMSDIKJEMVKDCM-MWLCHTKSSA-N	0	0	397.438	0.189	50	5		GCBARN
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000009509306	1200385418	/nfs/dbraw/zinc/38/54/18/1200385418.db2.gz	FDXPWOZKFJDBRJ-LBPRGKRZSA-N	0	0	399.425	0.369	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H](CNS(C)(=O)=O)C1	ZINC000032916599	530142593	/nfs/dbraw/zinc/14/25/93/530142593.db2.gz	IRMHGURAOLMVLH-GFCCVEGCSA-N	0	0	391.471	0.853	50	5		GCBARN
CCc1cc([N+](=O)[O-])c(NC[C@H](O)[C@@H](O)[C@H](O)CO)cc1Br	ZINC000004760367	530224607	/nfs/dbraw/zinc/22/46/07/530224607.db2.gz	YGJQWVWPZJXXGY-YNEHKIRRSA-N	0	0	379.207	0.407	50	5		GCBARN
CS(=O)(=O)NCCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000012526967	530361054	/nfs/dbraw/zinc/36/10/54/530361054.db2.gz	BHBMUUQDMUMJJS-UHFFFAOYSA-N	0	0	392.459	0.340	50	5		GCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)ccc1N1CCCC1	ZINC000006144715	530670582	/nfs/dbraw/zinc/67/05/82/530670582.db2.gz	BWZSVIRRRQDPQS-NSHDSACASA-N	0	0	389.455	0.660	50	5		GCBARN
O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000040115107	530979640	/nfs/dbraw/zinc/97/96/40/530979640.db2.gz	QZLTVBOEDCOEMC-GXFFZTMASA-N	0	0	375.353	0.463	50	5		GCBARN
Cc1nn(CC(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1[N+](=O)[O-]	ZINC000009376579	212193923	/nfs/dbraw/zinc/19/39/23/212193923.db2.gz	BRJHRHIDDJIXEH-VIFPVBQESA-N	0	0	381.414	0.933	50	5		GCBARN
CNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCN2CCOCC2)c1=N	ZINC000000727950	212177730	/nfs/dbraw/zinc/17/77/30/212177730.db2.gz	XZQFGZLMADGJDK-UHFFFAOYSA-N	0	0	396.451	0.129	50	5		GCBARN
CCn1c(=N)c(C(=O)NCCN2CCOCC2)cc2c1nc1ccccn1c2=O	ZINC000000788790	206321158	/nfs/dbraw/zinc/32/11/58/206321158.db2.gz	WXQNARHFQBAFTE-UHFFFAOYSA-N	0	0	396.451	0.211	50	5		GCBARN
COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000000951742	206336340	/nfs/dbraw/zinc/33/63/40/206336340.db2.gz	QBGQHFTWUZGLDO-CYBMUJFWSA-N	0	0	386.364	0.997	50	5		GCBARN
Cn1cnnc1Sc1ccc(C(=O)OCC(=O)NC(N)=O)cc1[N+](=O)[O-]	ZINC000003486678	206484244	/nfs/dbraw/zinc/48/42/44/206484244.db2.gz	MGACBHDAIKNSFP-UHFFFAOYSA-N	0	0	380.342	0.226	50	5		GCBARN
CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000019888958	207167749	/nfs/dbraw/zinc/16/77/49/207167749.db2.gz	RKJZILVKVRTAGN-CQSZACIVSA-N	0	0	396.469	0.770	50	5		GCBARN
CN1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000019888960	207168187	/nfs/dbraw/zinc/16/81/87/207168187.db2.gz	RKJZILVKVRTAGN-AWEZNQCLSA-N	0	0	396.469	0.770	50	5		GCBARN
CCc1cc([N+](=O)[O-])c(NC[C@H](O)[C@@H](O)[C@@H](O)CO)cc1Br	ZINC000019878072	207168981	/nfs/dbraw/zinc/16/89/81/207168981.db2.gz	YGJQWVWPZJXXGY-RWMBFGLXSA-N	0	0	379.207	0.407	50	5		GCBARN
C[C@H]1CN(c2nc(NCCN3CCOCC3)nc(N)c2[N+](=O)[O-])C[C@H](C)O1	ZINC000020391854	207190137	/nfs/dbraw/zinc/19/01/37/207190137.db2.gz	PDCXSFOPCAPIOP-RYUDHWBXSA-N	0	0	381.437	0.325	50	5		GCBARN
O=[N+]([O-])c1ccnn1CN1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000040149257	207351624	/nfs/dbraw/zinc/35/16/24/207351624.db2.gz	BVLMXSKXNYCTNZ-UHFFFAOYSA-N	0	0	396.385	0.664	50	5		GCBARN
CS(=O)(=O)NCCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000032829651	208991694	/nfs/dbraw/zinc/99/16/94/208991694.db2.gz	QHENKCLLZQSUTR-UHFFFAOYSA-N	0	0	386.430	0.418	50	5		GCBARN
CCOC(=O)C1=NN(N=O)[C@@]2(CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000009357101	221079482	/nfs/dbraw/zinc/07/94/82/221079482.db2.gz	VXNOYVGFJCMXLE-OAHLLOKOSA-N	0	0	375.297	0.903	50	5		GCBARN
COC(CN1C[C@@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C)C2=O)OC	ZINC000009434005	221081614	/nfs/dbraw/zinc/08/16/14/221081614.db2.gz	CKAYGQSBIJKSLD-KRWDZBQOSA-N	0	0	392.368	0.271	50	5		GCBARN
C[C@H](OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCS(=O)(=O)C1	ZINC000012554576	221205909	/nfs/dbraw/zinc/20/59/09/221205909.db2.gz	SRQVZJJQVCAHDR-JQWIXIFHSA-N	0	0	399.425	0.509	50	5		GCBARN
C[C@H](OC(=O)[C@H](C)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)NC1CC1	ZINC000012739762	221222257	/nfs/dbraw/zinc/22/22/57/221222257.db2.gz	RTXREBAOXLVXRE-IUCAKERBSA-N	0	0	375.337	0.790	50	5		GCBARN
C[C@H](C(=O)O[C@@H](C)C(=O)NC1CC1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	ZINC000012739758	221222353	/nfs/dbraw/zinc/22/23/53/221222353.db2.gz	RTXREBAOXLVXRE-BDAKNGLRSA-N	0	0	375.337	0.790	50	5		GCBARN
CCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000013005215	221256698	/nfs/dbraw/zinc/25/66/98/221256698.db2.gz	UBIINPSWGCPDEM-UHFFFAOYSA-N	0	0	377.444	0.687	50	5		GCBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)C(=O)N(CC(C)C)C1=O	ZINC000013072538	221260624	/nfs/dbraw/zinc/26/06/24/221260624.db2.gz	YRXPKNQAIRFGND-UHFFFAOYSA-N	0	0	378.341	0.989	50	5		GCBARN
COC(=O)c1n[nH]c(Sc2nnc(Cn3ccc(C)n3)n2C)c1[N+](=O)[O-]	ZINC000015932762	221352985	/nfs/dbraw/zinc/35/29/85/221352985.db2.gz	GAXVVIRESLNVAG-UHFFFAOYSA-N	0	0	378.374	0.937	50	5		GCBARN
NC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(C(=O)NC[C@H]2CCCO2)CC1	ZINC000040083082	132394356	/nfs/dbraw/zinc/39/43/56/132394356.db2.gz	CMOFYPDPSJEWKU-CYBMUJFWSA-N	0	0	377.401	0.600	50	5		GCBARN
CN1CCN(c2ccc(C(=O)N[C@H]3CCS(=O)(=O)C3)cc2[N+](=O)[O-])CC1	ZINC000004372054	136193881	/nfs/dbraw/zinc/19/38/81/136193881.db2.gz	ZWCGPCUUYRFSJY-ZDUSSCGKSA-N	0	0	382.442	0.264	50	5		GCBARN
COc1cc(CCNS(=O)(=O)N2CCOCC2)c([N+](=O)[O-])cc1OC	ZINC000032900059	221745486	/nfs/dbraw/zinc/74/54/86/221745486.db2.gz	AIOWAPYBVVLPSX-UHFFFAOYSA-N	0	0	375.403	0.321	50	5		GCBARN
CN1CCO[C@@H](CNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)C1	ZINC000058151621	222041046	/nfs/dbraw/zinc/04/10/46/222041046.db2.gz	JBERFTLVFDSHHW-ZDUSSCGKSA-N	0	0	378.385	0.730	50	5		GCBARN
CN1CCN(S(=O)(=O)c2ccc(N3CCC[C@@H](O)C3)c([N+](=O)[O-])c2)CC1	ZINC000023709420	570330209	/nfs/dbraw/zinc/33/02/09/570330209.db2.gz	FRNQZBULLGWMQP-CYBMUJFWSA-N	0	0	384.458	0.492	50	5		GCBARN
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCCO	ZINC000100630565	570419686	/nfs/dbraw/zinc/41/96/86/570419686.db2.gz	YHAIVNPEHNVLGO-ZDUSSCGKSA-N	0	0	397.435	0.420	50	5		GCBARN
COCCNC(=O)C1CCN(c2nc3ccccn3c(=O)c2[N+](=O)[O-])CC1	ZINC000024210555	570479796	/nfs/dbraw/zinc/47/97/96/570479796.db2.gz	HYHBGRSUENPSOE-UHFFFAOYSA-N	0	0	375.385	0.582	50	5		GCBARN
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000004624347	570701224	/nfs/dbraw/zinc/70/12/24/570701224.db2.gz	XDSVYRGPAXVUJP-RDTXWAMCSA-N	0	0	388.380	0.831	50	5		GCBARN
CCN(C(=O)[C@@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C)[C@H]1CCS(=O)(=O)C1	ZINC000021840018	570750242	/nfs/dbraw/zinc/75/02/42/570750242.db2.gz	OMNLMVWEONIDLA-MNOVXSKESA-N	0	0	387.414	0.514	50	5		GCBARN
CCOC(=O)N1CCN(c2cc(NCCO)c([N+](=O)[O-])c3nonc32)CC1	ZINC000013132676	570763277	/nfs/dbraw/zinc/76/32/77/570763277.db2.gz	UPKZIQATUXZIOK-UHFFFAOYSA-N	0	0	380.361	0.814	50	5		GCBARN
O=C(COC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1	ZINC000005824905	570794698	/nfs/dbraw/zinc/79/46/98/570794698.db2.gz	NAJWQVNIZQLRIU-CQSZACIVSA-N	0	0	379.369	0.553	50	5		GCBARN
O=C(Cc1ccccc1[N+](=O)[O-])N1CCc2[nH]nc(C(=O)N3CCOCC3)c2C1	ZINC000034797143	570799450	/nfs/dbraw/zinc/79/94/50/570799450.db2.gz	HBNAHOAPBWDZTH-UHFFFAOYSA-N	0	0	399.407	0.918	50	5		GCBARN
COc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCO2)CC1	ZINC000034800060	570800580	/nfs/dbraw/zinc/80/05/80/570800580.db2.gz	RPUWNQFULOZISA-INIZCTEOSA-N	0	0	392.412	0.865	50	5		GCBARN
CCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)CC1	ZINC000004499193	570808647	/nfs/dbraw/zinc/80/86/47/570808647.db2.gz	XJGUEAALTQQGLT-UHFFFAOYSA-N	0	0	384.458	0.758	50	5		GCBARN
NS(=O)(=O)c1ccc(N2CCN(Cc3ccncc3)CC2)c([N+](=O)[O-])c1	ZINC000012516496	570825645	/nfs/dbraw/zinc/82/56/45/570825645.db2.gz	FFRSGHCMUVKCLW-UHFFFAOYSA-N	0	0	377.426	0.959	50	5		GCBARN
Cc1nn(CCC(=O)NCCCN2C(=O)NC3(CCC3)C2=O)c(C)c1[N+](=O)[O-]	ZINC000170595160	570852585	/nfs/dbraw/zinc/85/25/85/570852585.db2.gz	HFBPENUKCRQEHF-UHFFFAOYSA-N	0	0	392.416	0.779	50	5		GCBARN
O=[N+]([O-])c1ccc(NCCN2CCOCC2)nc1NCCN1CCOCC1	ZINC000170610833	570867499	/nfs/dbraw/zinc/86/74/99/570867499.db2.gz	SFIOEAHNTCKBNM-UHFFFAOYSA-N	0	0	380.449	0.478	50	5		GCBARN
Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)C2)cc1[N+](=O)[O-]	ZINC000005747272	570920395	/nfs/dbraw/zinc/92/03/95/570920395.db2.gz	VHUFWCNDWIWTFT-UHFFFAOYSA-N	0	0	382.442	0.789	50	5		GCBARN
COCC(=O)NCCn1ncc2c1ncn(Cc1ccc([N+](=O)[O-])cc1)c2=O	ZINC000012071953	570958117	/nfs/dbraw/zinc/95/81/17/570958117.db2.gz	BHUNCAWWYPZKMO-UHFFFAOYSA-N	0	0	386.368	0.312	50	5		GCBARN
Cc1ccc(C)c(S(=O)(=O)NCCNC(=O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000025729683	1195601509	/nfs/dbraw/zinc/60/15/09/1195601509.db2.gz	JHHLZGFPDQMPRI-UHFFFAOYSA-N	0	0	381.414	0.503	50	5		GCBARN
O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)Nc1cccc([N+](=O)[O-])c1	ZINC000096936887	1199913268	/nfs/dbraw/zinc/91/32/68/1199913268.db2.gz	SBHLHXDDOHUHGZ-UHFFFAOYSA-N	0	0	391.428	0.010	50	5		GCBARN
Cc1cc(C(=O)OCC(=O)NCCN2C(=O)CSC2=O)ccc1[N+](=O)[O-]	ZINC000002630059	1199931511	/nfs/dbraw/zinc/93/15/11/1199931511.db2.gz	WXQRTWQYCVHYOZ-UHFFFAOYSA-N	0	0	381.366	0.872	50	5		GCBARN
CCn1cc(NC(=O)Cn2ncc([N+](=O)[O-])c2C)c(C(=O)NCCOC)n1	ZINC000002730822	1199934753	/nfs/dbraw/zinc/93/47/53/1199934753.db2.gz	JGTMXBRJQWOOQK-UHFFFAOYSA-N	0	0	379.377	0.331	50	5		GCBARN
COc1ccc(C(=O)C[C@]2(O)c3ccccc3N(CC(N)=O)C2=O)cc1[N+](=O)[O-]	ZINC000003005137	1199974990	/nfs/dbraw/zinc/97/49/90/1199974990.db2.gz	OILMOWZKOWMEBL-IBGZPJMESA-N	0	0	399.359	0.896	50	5		GCBARN
CCOC(=O)Cn1c(=O)c(F)cn(Cc2ccc(OC)c([N+](=O)[O-])c2)c1=O	ZINC000004154653	1200140191	/nfs/dbraw/zinc/14/01/91/1200140191.db2.gz	INCMIGKZIPBKCH-UHFFFAOYSA-N	0	0	381.316	0.677	50	5		GCBARN
CCN(C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)[C@H]1CCS(=O)(=O)C1	ZINC000010386980	1200418150	/nfs/dbraw/zinc/41/81/50/1200418150.db2.gz	QAZBSJPXHBRBIA-NSHDSACASA-N	0	0	395.393	0.226	50	5		GCBARN
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCc2ccoc2)c([N+](=O)[O-])c1	ZINC000032927585	530143888	/nfs/dbraw/zinc/14/38/88/530143888.db2.gz	FYUIYXQFFDNPEO-UHFFFAOYSA-N	0	0	389.411	0.917	50	5		GCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)cc1	ZINC000025909011	530562757	/nfs/dbraw/zinc/56/27/57/530562757.db2.gz	AASWEIMQEKKTEK-ZDUSSCGKSA-N	0	0	389.455	0.088	50	5		GCBARN
CCS(=O)(=O)NC1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2C)CC1	ZINC000032436755	530942682	/nfs/dbraw/zinc/94/26/82/530942682.db2.gz	DJZCSGDLWOYWNZ-UHFFFAOYSA-N	0	0	391.471	0.996	50	5		GCBARN
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(F)c(F)c2)CC1	ZINC000040115103	530979821	/nfs/dbraw/zinc/97/98/21/530979821.db2.gz	QZLTVBOEDCOEMC-GWCFXTLKSA-N	0	0	375.353	0.463	50	5		GCBARN
COCCCn1c(=O)c2c(c1=O)c(N)c1c(c2N)c(=O)c2ccccc2c1=O	ZINC000002019889	212261451	/nfs/dbraw/zinc/26/14/51/212261451.db2.gz	WBCXRDHKXHADQF-UHFFFAOYSA-N	0	0	379.372	0.465	50	5		GCBARN
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N[C@@H]1CCS(=O)(=O)C1	ZINC000009671294	212196685	/nfs/dbraw/zinc/19/66/85/212196685.db2.gz	BOWXAKKNRXMCGK-LLVKDONJSA-N	0	0	389.455	0.978	50	5		GCBARN
COC(=O)C1=C(C)Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000000951743	212200208	/nfs/dbraw/zinc/20/02/08/212200208.db2.gz	QBGQHFTWUZGLDO-ZDUSSCGKSA-N	0	0	386.364	0.997	50	5		GCBARN
Cn1c2ncn(CC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c2c(=O)n(C)c1=O	ZINC000000851769	212189375	/nfs/dbraw/zinc/18/93/75/212189375.db2.gz	MOAJSSBHEFWQSL-UHFFFAOYSA-N	0	0	392.759	0.634	50	5		GCBARN
O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N(CCO)CCO)c1ccco1	ZINC000004976745	206580445	/nfs/dbraw/zinc/58/04/45/206580445.db2.gz	KFZHPQIWQDXHFM-QINSGFPZSA-N	0	0	389.364	0.772	50	5		GCBARN
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000006602822	206656252	/nfs/dbraw/zinc/65/62/52/206656252.db2.gz	ORJQVQQOPCBUFK-CYBMUJFWSA-N	0	0	383.426	0.669	50	5		GCBARN
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1n[nH]cc1[N+](=O)[O-]	ZINC000013959807	207007102	/nfs/dbraw/zinc/00/71/02/207007102.db2.gz	BLYSRPZXBHAHHS-UHFFFAOYSA-N	0	0	381.370	0.591	50	5		GCBARN
COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3C[C@H]3[N+](=O)[O-])CC2)cc1OC	ZINC000040114923	207342452	/nfs/dbraw/zinc/34/24/52/207342452.db2.gz	RVDFFWAYWIHBMA-QWHCGFSZSA-N	0	0	399.425	0.202	50	5		GCBARN
COC(=O)[C@@H](O)CNC(=O)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000095453154	208184328	/nfs/dbraw/zinc/18/43/28/208184328.db2.gz	QNGBYUKUWNAPMW-KGLIPLIRSA-N	0	0	379.369	0.158	50	5		GCBARN
CS(=O)(=O)c1ccc(C(=O)OCC(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-]	ZINC000002661961	220549987	/nfs/dbraw/zinc/54/99/87/220549987.db2.gz	WHRMIACERZRUBG-NSHDSACASA-N	0	0	386.382	0.450	50	5		GCBARN
COC(CN1C[C@]2(Cc3cc([N+](=O)[O-])ccc31)C(=O)NC(=O)N(C)C2=O)OC	ZINC000009434004	221081521	/nfs/dbraw/zinc/08/15/21/221081521.db2.gz	CKAYGQSBIJKSLD-QGZVFWFLSA-N	0	0	392.368	0.271	50	5		GCBARN
CCN(CC)S(=O)(=O)NCCNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	ZINC000012516912	221199975	/nfs/dbraw/zinc/19/99/75/221199975.db2.gz	HTGWDEABANMLIB-UHFFFAOYSA-N	0	0	394.475	0.586	50	5		GCBARN
CC(C)NS(=O)(=O)c1ccc(N[C@@H]2CCS(=O)(=O)C2)c([N+](=O)[O-])c1	ZINC000012537337	221203739	/nfs/dbraw/zinc/20/37/39/221203739.db2.gz	HWBPRLOSZHNCMJ-SNVBAGLBSA-N	0	0	377.444	0.881	50	5		GCBARN
CNC(=O)NC(=O)[C@H](C)OC(=O)[C@@H](C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000013026987	221258931	/nfs/dbraw/zinc/25/89/31/221258931.db2.gz	SOXOHTLZFCVHDM-DTWKUNHWSA-N	0	0	387.370	0.144	50	5		GCBARN
CCOC(=O)C1=C(Cn2cc([N+](=O)[O-])cn2)NC(=O)N[C@H]1c1cnn(CC)c1	ZINC000017079451	221377397	/nfs/dbraw/zinc/37/73/97/221377397.db2.gz	GGXLOYKSCGCFAD-AWEZNQCLSA-N	0	0	389.372	0.879	50	5		GCBARN
Cc1nn(CC(=O)NCCNC(=O)COc2ccccc2)c(C)c1[N+](=O)[O-]	ZINC000025995698	570228879	/nfs/dbraw/zinc/22/88/79/570228879.db2.gz	FJLDDZDEHZEQKN-UHFFFAOYSA-N	0	0	375.385	0.720	50	5		GCBARN
Cc1cc(C(=O)N2CCN(CCNC(=O)c3ccc([N+](=O)[O-])o3)CC2)no1	ZINC000044453723	570449641	/nfs/dbraw/zinc/44/96/41/570449641.db2.gz	URVSBDQKLVRBDO-UHFFFAOYSA-N	0	0	377.357	0.672	50	5		GCBARN
O=C(NCCN1CCOCC1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCOC[C@H]12	ZINC000035894307	570474444	/nfs/dbraw/zinc/47/44/44/570474444.db2.gz	UTIKMIPDLCKRHU-SJLPKXTDSA-N	0	0	390.440	0.421	50	5		GCBARN
CCN(C(=O)[C@H](C)OC(=O)c1cc([N+](=O)[O-])cn1C)[C@@H]1CCS(=O)(=O)C1	ZINC000021840021	570750277	/nfs/dbraw/zinc/75/02/77/570750277.db2.gz	OMNLMVWEONIDLA-WDEREUQCSA-N	0	0	387.414	0.514	50	5		GCBARN
Cn1c2nc(-n3ccnc3)n(Cc3ccc([N+](=O)[O-])cc3)c2c(=O)n(C)c1=O	ZINC000001171855	570790223	/nfs/dbraw/zinc/79/02/23/570790223.db2.gz	FXYBDJRODYEHMM-UHFFFAOYSA-N	0	0	381.352	0.576	50	5		GCBARN
CC(=O)N[C@H]1[C@H](O)[C@@H]2OC(C)(C)OC[C@H]2O[C@H]1Oc1cccc([N+](=O)[O-])c1	ZINC000239331313	570827988	/nfs/dbraw/zinc/82/79/88/570827988.db2.gz	KLVGSLXHQFFDRJ-LYYZXLFJSA-N	0	0	382.369	0.716	50	5		GCBARN
Cc1ccc2nc3c(cc(C(N)=O)c(=N)n3CCCN3CCOCC3)c(=O)n2c1	ZINC000004552988	570880258	/nfs/dbraw/zinc/88/02/58/570880258.db2.gz	JOZJATUMPCDKFF-UHFFFAOYSA-N	0	0	396.451	0.258	50	5		GCBARN
O=C([C@H]1CCCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	ZINC000002474977	1199919340	/nfs/dbraw/zinc/91/93/40/1199919340.db2.gz	KQPQPZUVEBYFTB-CQSZACIVSA-N	0	0	383.426	0.997	50	5		GCBARN
CCOC(=O)CS(=O)(=O)c1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]	ZINC000003023836	1199977585	/nfs/dbraw/zinc/97/75/85/1199977585.db2.gz	KNPSUWKIVWVRDH-UHFFFAOYSA-N	0	0	386.382	0.404	50	5		GCBARN
CN(C(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)[C@H]1CCS(=O)(=O)C1	ZINC000008723498	1200254451	/nfs/dbraw/zinc/25/44/51/1200254451.db2.gz	JHKQMSSKDAWUJZ-AWEZNQCLSA-N	0	0	396.469	0.606	50	5		GCBARN
CCOC(=O)C1=C(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)NC(=O)N[C@H]1C	ZINC000009254910	1200354394	/nfs/dbraw/zinc/35/43/94/1200354394.db2.gz	JNNAIUMVSOFKLA-QMMMGPOBSA-N	0	0	395.372	0.470	50	5		GCBARN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1	ZINC000040105636	530979547	/nfs/dbraw/zinc/97/95/47/530979547.db2.gz	XKAMMZPEALBDSM-UHFFFAOYSA-N	0	0	392.459	0.016	50	5		GCBARN
O=C(C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1)N1CCOCC1	ZINC000000953221	212200309	/nfs/dbraw/zinc/20/03/09/212200309.db2.gz	VDZQFGMREGOCOX-UHFFFAOYSA-N	0	0	383.426	0.854	50	5		GCBARN
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000002856325	206292079	/nfs/dbraw/zinc/29/20/79/206292079.db2.gz	WEPOXLKVUHNMPB-UHFFFAOYSA-N	0	0	385.423	0.763	50	5		GCBARN
Cc1ccc(C(=O)NCC(=O)N2CCN(c3ncccn3)CC2)cc1[N+](=O)[O-]	ZINC000010090286	206374926	/nfs/dbraw/zinc/37/49/26/206374926.db2.gz	NMLLDJSFUOEBOF-UHFFFAOYSA-N	0	0	384.396	0.772	50	5		GCBARN
C[C@@]1(NC(=S)NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCS(=O)(=O)C1	ZINC000009439462	206787969	/nfs/dbraw/zinc/78/79/69/206787969.db2.gz	CXCLMCCMXIEZRG-GFCCVEGCSA-N	0	0	389.415	0.871	50	5		GCBARN
CCOC(=O)[C@@H]1C([O-])=NC(N2CCOCC2)=[NH+][C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000014162931	207012675	/nfs/dbraw/zinc/01/26/75/207012675.db2.gz	KCZZKARFNGFYKR-UONOGXRCSA-N	0	0	376.369	0.633	50	5		GCBARN
CN1CCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2ccccc2=O)CC1	ZINC000019589694	207142298	/nfs/dbraw/zinc/14/22/98/207142298.db2.gz	RVQNTDJBCACDDS-KRWDZBQOSA-N	0	0	384.392	0.955	50	5		GCBARN
CN1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])C2)CC1	ZINC000019888962	207167663	/nfs/dbraw/zinc/16/76/63/207167663.db2.gz	BRYQUKNHXFIFCA-CQSZACIVSA-N	0	0	396.469	0.770	50	5		GCBARN
O=[N+]([O-])c1ccc(S(=O)(=O)C[C@H](CN2CCOCC2)N2CCOCC2)cc1	ZINC000019899391	207170445	/nfs/dbraw/zinc/17/04/45/207170445.db2.gz	ZXRLMFHUUYIQRE-INIZCTEOSA-N	0	0	399.469	0.402	50	5		GCBARN
O=C(COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCNC1=O	ZINC000024962311	207297552	/nfs/dbraw/zinc/29/75/52/207297552.db2.gz	IBMAEQVJVLMMAB-UHFFFAOYSA-N	0	0	376.369	0.906	50	5		GCBARN
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C2)CC1	ZINC000024365791	207290695	/nfs/dbraw/zinc/29/06/95/207290695.db2.gz	FIAZDJWBLCGETJ-GFCCVEGCSA-N	0	0	396.425	0.706	50	5		GCBARN
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1CCCO	ZINC000100630566	208379703	/nfs/dbraw/zinc/37/97/03/208379703.db2.gz	YHAIVNPEHNVLGO-CYBMUJFWSA-N	0	0	397.435	0.420	50	5		GCBARN
Cc1nn(CC(=O)OCC(=O)N2CC(=O)Nc3ccccc32)c(C)c1[N+](=O)[O-]	ZINC000009127824	221070760	/nfs/dbraw/zinc/07/07/60/221070760.db2.gz	CICMHQSEFAMJKU-UHFFFAOYSA-N	0	0	387.352	0.937	50	5		GCBARN
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1ccc(OC)c([N+](=O)[O-])c1	ZINC000009509305	221082828	/nfs/dbraw/zinc/08/28/28/221082828.db2.gz	FDXPWOZKFJDBRJ-GFCCVEGCSA-N	0	0	399.425	0.369	50	5		GCBARN
Cc1nn(CC(=O)c2c(N)n(CC(C)C)c(=O)n(C)c2=O)c(C)c1[N+](=O)[O-]	ZINC000009882451	221093389	/nfs/dbraw/zinc/09/33/89/221093389.db2.gz	MEUKECQARFWTMR-UHFFFAOYSA-N	0	0	378.389	0.390	50	5		GCBARN
O=C(CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1	ZINC000012289032	221174003	/nfs/dbraw/zinc/17/40/03/221174003.db2.gz	BBWFHLLHICTSSP-MRVPVSSYSA-N	0	0	375.384	0.898	50	5		GCBARN
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000012649845	221217158	/nfs/dbraw/zinc/21/71/58/221217158.db2.gz	PKBADIHUFVNJEC-UHFFFAOYSA-N	0	0	381.370	0.591	50	5		GCBARN
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1	ZINC000025315856	221628456	/nfs/dbraw/zinc/62/84/56/221628456.db2.gz	SPHDYUKMSBVRTE-CQSZACIVSA-N	0	0	383.426	0.305	50	5		GCBARN
Cc1c(NC(=O)NCCN2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-]	ZINC000058018950	222037103	/nfs/dbraw/zinc/03/71/03/222037103.db2.gz	CKDURAGMUKCCFY-UHFFFAOYSA-N	0	0	385.446	0.602	50	5		GCBARN
Cc1nc([N+](=O)[O-])cn1CCC(=O)Nc1ccc2c(c1)N(S(N)(=O)=O)CC2	ZINC000058005705	222038248	/nfs/dbraw/zinc/03/82/48/222038248.db2.gz	UCNCZSAFIMKNMG-UHFFFAOYSA-N	0	0	394.413	0.695	50	5		GCBARN
CC(C)CNC(=O)CN1C=NC2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc3N21	ZINC000069629535	222174144	/nfs/dbraw/zinc/17/41/44/222174144.db2.gz	HOPQWQXFFMGEBT-UHFFFAOYSA-N	0	0	380.386	0.491	50	5		GCBARN
COCCNC(=O)c1cc2c(nc3c(C)cccn3c2=O)n(CCOC)c1=N	ZINC000100938633	222465608	/nfs/dbraw/zinc/46/56/08/222465608.db2.gz	RLDKRFBXOWSJII-UHFFFAOYSA-N	0	0	385.424	0.460	50	5		GCBARN
Cn1c2ncn(CC(=O)Nc3ccc(F)cc3[N+](=O)[O-])c2c(=O)n(C)c1=O	ZINC000024852354	570315096	/nfs/dbraw/zinc/31/50/96/570315096.db2.gz	DYZUBHSZDNBWQN-UHFFFAOYSA-N	0	0	376.304	0.120	50	5		GCBARN
NS(=O)(=O)c1cccc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1	ZINC000024658628	570389223	/nfs/dbraw/zinc/38/92/23/570389223.db2.gz	IXRQJWCUOPZYEP-UHFFFAOYSA-N	0	0	375.366	0.862	50	5		GCBARN
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N(C)C3=O)[C@H]2[C@@H](C)O1	ZINC000248013485	570435139	/nfs/dbraw/zinc/43/51/39/570435139.db2.gz	FQYREZYGRNGXNE-NVXBBSMUSA-N	0	0	388.380	0.828	50	5		GCBARN
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000006602823	570493603	/nfs/dbraw/zinc/49/36/03/570493603.db2.gz	ORJQVQQOPCBUFK-ZDUSSCGKSA-N	0	0	383.426	0.669	50	5		GCBARN
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	ZINC000004624349	570701319	/nfs/dbraw/zinc/70/13/19/570701319.db2.gz	XDSVYRGPAXVUJP-KDOFPFPSSA-N	0	0	388.380	0.831	50	5		GCBARN
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCSC[C@@H]32)C1=O	ZINC000036585422	570743619	/nfs/dbraw/zinc/74/36/19/570743619.db2.gz	VYSZYUXUYGNXCZ-WBMJQRKESA-N	0	0	376.394	0.767	50	5		GCBARN
C[C@@H](OC(=O)CN1CCN(C)C(=O)C1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000170610698	570866885	/nfs/dbraw/zinc/86/68/85/570866885.db2.gz	FELJOQIYWHKAHW-SNVBAGLBSA-N	0	0	398.803	0.892	50	5		GCBARN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1C(=O)N1CCOCC1	ZINC000032876246	570872332	/nfs/dbraw/zinc/87/23/32/570872332.db2.gz	SAQYLANMPVJTCH-CQSZACIVSA-N	0	0	383.426	0.915	50	5		GCBARN
C[C@H](CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1nn[nH]n1	ZINC000097102719	570893826	/nfs/dbraw/zinc/89/38/26/570893826.db2.gz	UUNKVQIMZVNMLS-SNVBAGLBSA-N	0	0	397.417	0.344	50	5		GCBARN
COC(=O)c1c[nH]c(=O)c(NS(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000032933536	570947366	/nfs/dbraw/zinc/94/73/66/570947366.db2.gz	KRWGUIMBNFALEL-UHFFFAOYSA-N	0	0	383.338	0.879	50	5		GCBARN
O=[N+]([O-])c1cc2c(cc1S(=O)(=O)N1CCO[C@@H](c3ncon3)C1)OCCO2	ZINC000097084783	1199915978	/nfs/dbraw/zinc/91/59/78/1199915978.db2.gz	KUDQKIRBFUJFQG-GFCCVEGCSA-N	0	0	398.353	0.511	50	5		GCBARN
O=c1c2cc3c(ccn(CCCN4CCOCC4)c3=O)nc2ccn1CCO	ZINC000038829215	1200237846	/nfs/dbraw/zinc/23/78/46/1200237846.db2.gz	YHRFJDZPSFUEPP-UHFFFAOYSA-N	0	0	384.436	0.426	50	5		GCBARN
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1	ZINC000040115795	1200300762	/nfs/dbraw/zinc/30/07/62/1200300762.db2.gz	NMSDIKJEMVKDCM-ONGXEEELSA-N	0	0	397.438	0.189	50	5		GCBARN