smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCn1nnc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000032118883	202221657	/nfs/dbraw/zinc/22/16/57/202221657.db2.gz	FTHGADXYPITQEU-UHFFFAOYSA-N	0	0	349.376	1.427	40	5		EDBBRN
O=[N+]([O-])c1ccc(NNCn2nnc3cc([N+](=O)[O-])ccc32)cc1	ZINC000016428655	211903484	/nfs/dbraw/zinc/90/34/84/211903484.db2.gz	PPDXEDTXGSCXIP-UHFFFAOYSA-N	0	0	329.276	1.822	40	5		EDBBRN
CCOC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@]1(C)O	ZINC000004573225	276295021	/nfs/dbraw/zinc/29/50/21/276295021.db2.gz	MZJXZKVHHNSFHZ-SUNKGSAMSA-N	0	0	339.373	1.001	40	5		EDBBRN
Cn1ccc([C@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000013566811	294361248	/nfs/dbraw/zinc/36/12/48/294361248.db2.gz	UCGNTYNSBOWBKH-GFCCVEGCSA-N	0	0	332.364	1.819	40	5		EDBBRN
CCOC(=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000003040514	440888464	/nfs/dbraw/zinc/88/84/64/440888464.db2.gz	NLESYMLLKKAYDH-KGLIPLIRSA-N	0	0	338.316	1.267	40	5		EDBBRN
Cc1ncc([N+](=O)[O-])n1S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C	ZINC000004911183	440930159	/nfs/dbraw/zinc/93/01/59/440930159.db2.gz	IZRDPGQYYJVLBP-HZMBPMFUSA-N	0	0	341.389	1.673	40	5		EDBBRN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3C=C[C@](C)(O3)[C@H]2C1=O	ZINC000005017821	440933928	/nfs/dbraw/zinc/93/39/28/440933928.db2.gz	ZIJPMAAJMQFPFS-VSBTWAGUSA-N	0	0	330.296	1.436	40	5		EDBBRN
CCCCC[NH2+][C@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000065090356	441403316	/nfs/dbraw/zinc/40/33/16/441403316.db2.gz	TWLFUGQQFZVQOT-GFCCVEGCSA-N	0	0	338.364	1.739	40	5		EDBBRN
Cc1nc(SCCNC(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)n[nH]1	ZINC000225989787	242084466	/nfs/dbraw/zinc/08/44/66/242084466.db2.gz	HZAYRFYRXCTPAJ-UHFFFAOYSA-N	0	0	347.400	1.961	40	5		EDBBRN
COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000335125	206237345	/nfs/dbraw/zinc/23/73/45/206237345.db2.gz	TYXUCZCSHFACSK-LBPRGKRZSA-N	0	0	330.362	1.461	40	5		EDBBRN
C[C@@H]1C=CC[C@@H]2C(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21	ZINC000408640390	277660110	/nfs/dbraw/zinc/66/01/10/277660110.db2.gz	AXEZYZZUVSGDMP-ICCXJUOJSA-N	0	0	329.312	1.437	40	5		EDBBRN
CCCn1nnnc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	ZINC000017072526	441236855	/nfs/dbraw/zinc/23/68/55/441236855.db2.gz	KJHOKHKTKICXMY-UHFFFAOYSA-N	0	0	349.376	1.427	40	5		EDBBRN
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1ccc([N+](=O)[O-])cc1	ZINC000036511934	441607682	/nfs/dbraw/zinc/60/76/82/441607682.db2.gz	FHDULSQUIZSZAW-ALTYAODHSA-N	0	0	345.307	1.518	40	5		EDBBRN
C[C@](Br)(C(=O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000096518595	442146716	/nfs/dbraw/zinc/14/67/16/442146716.db2.gz	DNSXPCHGDZVPKJ-SNVBAGLBSA-N	0	0	336.163	1.933	40	5		EDBBRN
CNC(=C[N+](=O)[O-])NCCSCc1ccc(C[N+](C)(C)[O-])o1	ZINC000022066285	202078525	/nfs/dbraw/zinc/07/85/25/202078525.db2.gz	DFJVUWAHTQPQCV-MDWZMJQESA-N	0	0	330.410	1.472	40	5	in-vitro	EDBBRN
Cc1nc2n(n1)[C@@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC(=O)N2	ZINC000016973263	211944172	/nfs/dbraw/zinc/94/41/72/211944172.db2.gz	JQGDPCQVAQHYEM-LLVKDONJSA-N	0	0	330.304	1.325	40	5		EDBBRN
O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccccc1	ZINC000003024293	440886778	/nfs/dbraw/zinc/88/67/78/440886778.db2.gz	MKIXEQWEPPLZSJ-UHFFFAOYSA-N	0	0	342.307	1.751	40	5		EDBBRN
CC(C)(COc1nonc1N)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000006076880	205794700	/nfs/dbraw/zinc/79/47/00/205794700.db2.gz	IGBSCGJERUBMPU-UHFFFAOYSA-N	0	0	338.280	1.738	40	5		EDBBRN
CC(C)c1cc(C(N)=O)c(NC(=O)Cn2cc([N+](=O)[O-])cn2)s1	ZINC000002749303	440874398	/nfs/dbraw/zinc/87/43/98/440874398.db2.gz	HZPKIHRSUZGXCF-UHFFFAOYSA-N	0	0	337.361	1.714	40	5		EDBBRN
COC(=O)c1cc(Cl)c(Sc2nnc(C)n2N)c([N+](=O)[O-])c1	ZINC000070462488	441112895	/nfs/dbraw/zinc/11/28/95/441112895.db2.gz	NWFOSZKGPSIHAL-UHFFFAOYSA-N	0	0	343.752	1.800	40	5		EDBBRN
CCCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NC	ZINC000004520299	210212712	/nfs/dbraw/zinc/21/27/12/210212712.db2.gz	IQUJZDXQRGMRHK-UHFFFAOYSA-N	0	0	325.372	1.733	40	5		EDBBRN
CCCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1	ZINC000070461861	203078226	/nfs/dbraw/zinc/07/82/26/203078226.db2.gz	WGPGMQRMAPZQCN-UHFFFAOYSA-N	0	0	344.375	1.624	40	5		EDBBRN
CCn1nnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1	ZINC000014258562	207639818	/nfs/dbraw/zinc/63/98/18/207639818.db2.gz	BNPIHPKHRHJWFQ-UHFFFAOYSA-N	0	0	331.336	1.454	40	5		EDBBRN
CCn1cc(CN(C)C(=O)[C@H](C)n2cc([N+](=O)[O-])c(C)n2)c(C)n1	ZINC000002776871	440875880	/nfs/dbraw/zinc/87/58/80/440875880.db2.gz	WZTFRLDTDWATNI-LBPRGKRZSA-N	0	0	334.380	1.844	40	5		EDBBRN
O=C(Nc1cccc2c(=O)[nH][nH]c(=O)c12)c1ccc([N+](=O)[O-])cc1	ZINC000016951754	284354378	/nfs/dbraw/zinc/35/43/78/284354378.db2.gz	FFDOVAVXVALKOZ-UHFFFAOYSA-N	0	0	326.268	1.789	40	5		EDBBRN
O=C(NCc1ccco1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408638463	250307798	/nfs/dbraw/zinc/30/77/98/250307798.db2.gz	CJSFUJQPBBAMDF-LLVKDONJSA-N	0	0	329.312	1.857	40	5		EDBBRN
Cn1ccc([C@@H]2CCCCCN2C(=O)c2nn(C)cc2[N+](=O)[O-])n1	ZINC000013566810	302956103	/nfs/dbraw/zinc/95/61/03/302956103.db2.gz	UCGNTYNSBOWBKH-LBPRGKRZSA-N	0	0	332.364	1.819	40	5		EDBBRN
O=c1/c(=C\c2ccccc2[N+](=O)[O-])sc2nnc(-c3ccco3)n12	ZINC000001625269	440848248	/nfs/dbraw/zinc/84/82/48/440848248.db2.gz	NPLIICNZFUOSIV-XYOKQWHBSA-N	0	0	340.320	1.867	40	5		EDBBRN
CCOC(=O)c1cc(Cl)c(Sc2nncn2N)c([N+](=O)[O-])c1	ZINC000070462492	441112853	/nfs/dbraw/zinc/11/28/53/441112853.db2.gz	FKVNQYPXLSPGNI-UHFFFAOYSA-N	0	0	343.752	1.881	40	5		EDBBRN
O=C1C[C@@H](N2CCCC[C@H]2CCO)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000017072239	441236924	/nfs/dbraw/zinc/23/69/24/441236924.db2.gz	ZJKARCHLFOPKKG-SWLSCSKDSA-N	0	0	347.371	1.464	40	5		EDBBRN
COc1ccc(C=Cc2[nH]c3ncnn3c(=O)c2[N+](=O)[O-])cc1OC	ZINC000016227130	441217423	/nfs/dbraw/zinc/21/74/23/441217423.db2.gz	GMLPIRIPGZBSKS-HWKANZROSA-N	0	0	343.299	1.926	40	5		EDBBRN
CN(C)n1ccc2nc3ccn(C[C@@H]4CCCO4)c(=O)c3cc2c1=O	ZINC000040398668	282335404	/nfs/dbraw/zinc/33/54/04/282335404.db2.gz	WRTUTVPEPBIMGP-LBPRGKRZSA-N	0	0	340.383	1.088	40	5		EDBBRN
COC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000045958728	201106548	/nfs/dbraw/zinc/10/65/48/201106548.db2.gz	XBRPRAMWZLMQQZ-VIFPVBQESA-N	0	0	341.751	1.682	40	5		EDBBRN
O=C(NC[C@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408642632	250307863	/nfs/dbraw/zinc/30/78/63/250307863.db2.gz	PHPNLCNKDJHUCG-BXUZGUMPSA-N	0	0	333.344	1.243	40	5		EDBBRN
CCNC(=O)Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)NCC	ZINC000016681700	441230685	/nfs/dbraw/zinc/23/06/85/441230685.db2.gz	NOVRODNOKFTASO-UHFFFAOYSA-N	0	0	339.352	1.264	40	5		EDBBRN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1S(=O)(=O)N1CCNCC1	ZINC000199728640	486734987	/nfs/dbraw/zinc/73/49/87/486734987.db2.gz	CBZQOVFUNFFDPU-UHFFFAOYSA-N	0	0	339.295	1.208	40	5		EDBBRN
COC(=O)CCC(=O)N1c2cc([N+](=O)[O-])ccc2NC(=O)C[C@@H]1C	ZINC000004565077	210221686	/nfs/dbraw/zinc/22/16/86/210221686.db2.gz	DATLWCAZYALKDX-VIFPVBQESA-N	0	0	335.316	1.612	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(C)(=O)=O)C1	ZINC000016347344	201974739	/nfs/dbraw/zinc/97/47/39/201974739.db2.gz	JPQQWBFUIJDVMN-LLVKDONJSA-N	0	0	341.389	1.513	40	5		EDBBRN
CCC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000006946572	441026776	/nfs/dbraw/zinc/02/67/76/441026776.db2.gz	MFNPCSJFESVKPN-NSHDSACASA-N	0	0	343.405	1.666	40	5		EDBBRN
CNC(=O)c1cc2c(nc3ccccn3c2=O)nc1NC1CCCC1	ZINC000004520305	210212349	/nfs/dbraw/zinc/21/23/49/210212349.db2.gz	JYASIRYVIYGZQN-UHFFFAOYSA-N	0	0	337.383	1.957	40	5		EDBBRN
Cn1ccs/c1=N/C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000102842563	219234496	/nfs/dbraw/zinc/23/44/96/219234496.db2.gz	QDGQQSBFPBSHJZ-OUKQBFOZSA-N	0	0	341.370	1.139	40	5		EDBBRN
Cc1nc2n(n1)[C@H](C(=O)Nc1ccc(C)c([N+](=O)[O-])c1)CC(=O)N2	ZINC000009109883	211039755	/nfs/dbraw/zinc/03/97/55/211039755.db2.gz	JQGDPCQVAQHYEM-NSHDSACASA-N	0	0	330.304	1.325	40	5		EDBBRN
Cc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)OC(C)C)n1N	ZINC000070462417	441112469	/nfs/dbraw/zinc/11/24/69/441112469.db2.gz	AXMOMDGCNOMNOS-UHFFFAOYSA-N	0	0	337.361	1.925	40	5		EDBBRN
CCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1	ZINC000070461860	441112845	/nfs/dbraw/zinc/11/28/45/441112845.db2.gz	NKENQJCFKQRKST-UHFFFAOYSA-N	0	0	330.348	1.234	40	5		EDBBRN
Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)s1	ZINC000008474048	441093116	/nfs/dbraw/zinc/09/31/16/441093116.db2.gz	MOTTWHFBRVWTON-VIFPVBQESA-N	0	0	347.356	1.746	40	5		EDBBRN
Cc1cc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)no1	ZINC000408644395	447678235	/nfs/dbraw/zinc/67/82/35/447678235.db2.gz	SUMWSGSFHVCQKA-JTQLQIEISA-N	0	0	330.300	1.883	40	5		EDBBRN
O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc2[nH]c(=O)[nH]c2c1	ZINC000009141979	211044118	/nfs/dbraw/zinc/04/41/18/211044118.db2.gz	NIJAOZDCCHKHCL-UHFFFAOYSA-N	0	0	328.284	1.782	40	5		EDBBRN
O=c1/c(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2n1CCN=2	ZINC000005553030	210487832	/nfs/dbraw/zinc/48/78/32/210487832.db2.gz	LZCGKWQFTVPAQI-NTEUORMPSA-N	0	0	341.348	1.540	40	5		EDBBRN
C[C@@H]1CCCN(C(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000000422689	440820564	/nfs/dbraw/zinc/82/05/64/440820564.db2.gz	RLSSXLBFJBERIN-LLVKDONJSA-N	0	0	330.348	1.507	40	5		EDBBRN
CCS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000010302439	441112296	/nfs/dbraw/zinc/11/22/96/441112296.db2.gz	DCHNLLXWGVNFKN-LLVKDONJSA-N	0	0	341.389	1.595	40	5		EDBBRN
O=[N+]([O-])c1cc(F)ccc1Nc1cc(C2CC2)nc(NCCCO)n1	ZINC000328984139	444434291	/nfs/dbraw/zinc/43/42/91/444434291.db2.gz	HLWWGUPQLGQOPL-UHFFFAOYSA-N	0	0	347.350	1.783	40	5		EDBBRN
Nn1ccc2nc3ccn(Cc4cccc(F)c4)c(=O)c3cc2c1=O	ZINC000040398641	213297683	/nfs/dbraw/zinc/29/76/83/213297683.db2.gz	OSCBOSWQGDYRPF-UHFFFAOYSA-N	0	0	336.326	1.613	40	5		EDBBRN
NC(=O)c1ccc(Sc2nnc(C(F)(F)F)n2N)c([N+](=O)[O-])c1	ZINC000078406778	217049280	/nfs/dbraw/zinc/04/92/80/217049280.db2.gz	NSDFVHXCTZARKX-UHFFFAOYSA-N	0	0	348.266	1.169	40	5		EDBBRN
C[C@@H]1CC[C@H]2C(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	ZINC000408649535	250307566	/nfs/dbraw/zinc/30/75/66/250307566.db2.gz	LDUQYXAWCICTIZ-WQAKAFBOSA-N	0	0	331.328	1.661	40	5		EDBBRN
CC(CNC(=O)c1ccccc1)(CNC(=O)c1ccccc1)[N+](=O)[O-]	ZINC000001857391	440854315	/nfs/dbraw/zinc/85/43/15/440854315.db2.gz	NQEXFOOJALTUQI-UHFFFAOYSA-N	0	0	341.367	1.882	40	5		EDBBRN
Cc1nc2n(n1)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1C)CC(=O)N2	ZINC000014164369	441176047	/nfs/dbraw/zinc/17/60/47/441176047.db2.gz	MGFHTQGUQCIJGB-NSHDSACASA-N	0	0	330.304	1.325	40	5		EDBBRN
O=C(C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O)Nc1ccccc1[N+](=O)[O-]	ZINC000250083860	443010544	/nfs/dbraw/zinc/01/05/44/443010544.db2.gz	MVSZUIFCMHUZIN-WZRBSPASSA-N	0	0	332.360	1.323	40	5		EDBBRN
CC[C@@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(N)=O	ZINC000004520317	210212587	/nfs/dbraw/zinc/21/25/87/210212587.db2.gz	YGTVLXNEYMUFGC-SNVBAGLBSA-N	0	0	325.372	1.860	40	5		EDBBRN
Cc1ccc(S(=O)(=O)N(C)[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-]	ZINC000013672252	211603949	/nfs/dbraw/zinc/60/39/49/211603949.db2.gz	DJSNMXSHNFEIHG-TZMCWYRMSA-N	0	0	328.390	1.827	40	5		EDBBRN
CC1=CC[C@H]2C(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	ZINC000408654852	250307719	/nfs/dbraw/zinc/30/77/19/250307719.db2.gz	QWXLLORSXXYXBF-CHWSQXEVSA-N	0	0	329.312	1.581	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nc(N)cc(N)n1	ZINC000004959808	210340784	/nfs/dbraw/zinc/34/07/84/210340784.db2.gz	XRWQFTFLNLNRDI-MRVPVSSYSA-N	0	0	348.388	1.977	40	5		EDBBRN
COc1cccc([S@@](=O)c2ccc([N+](=O)[O-])c3no[n+]([O-])c32)c1	ZINC000006424682	440991335	/nfs/dbraw/zinc/99/13/35/440991335.db2.gz	MAWCCVQAHUMTEL-QHCPKHFHSA-N	0	0	335.297	1.545	40	5		EDBBRN
C[C@@](Br)(C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	ZINC000096518588	442146840	/nfs/dbraw/zinc/14/68/40/442146840.db2.gz	SMILRHRMMCNXRA-JTQLQIEISA-N	0	0	336.163	1.933	40	5		EDBBRN
O=C1C[C@H](N2CCCC[C@H]2CCO)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000250005949	443009228	/nfs/dbraw/zinc/00/92/28/443009228.db2.gz	STAAACPNLLQGQL-WFASDCNBSA-N	0	0	347.371	1.464	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@H]1Cn2ncnc2NC1=O	ZINC000040386639	213295755	/nfs/dbraw/zinc/29/57/55/213295755.db2.gz	DTHDMLAEMFATKX-VIFPVBQESA-N	0	0	330.304	1.092	40	5		EDBBRN
COC(=O)c1cc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(C)n1	ZINC000408552217	250304596	/nfs/dbraw/zinc/30/45/96/250304596.db2.gz	ICXNGTGGTVVKQQ-UHFFFAOYSA-N	0	0	335.272	1.343	40	5		EDBBRN
C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)NC(=O)c1nonc1N	ZINC000005005558	210359056	/nfs/dbraw/zinc/35/90/56/210359056.db2.gz	YPXNDENAGZKLFI-LURJTMIESA-N	0	0	340.727	1.444	40	5		EDBBRN
Cc1ccc(C(=O)N[C@@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002792616	440877373	/nfs/dbraw/zinc/87/73/73/440877373.db2.gz	NBSQNHNKCJLODZ-HOTGVXAUSA-N	0	0	330.340	1.728	40	5		EDBBRN
CCCn1nnnc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-]	ZINC000017070584	441236298	/nfs/dbraw/zinc/23/62/98/441236298.db2.gz	NSNJQADPIZYSPM-UHFFFAOYSA-N	0	0	335.349	1.118	40	5		EDBBRN
CC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000025074058	441329645	/nfs/dbraw/zinc/32/96/45/441329645.db2.gz	PFWYAXMEENKSMR-QBPKDAKJSA-N	0	0	333.340	1.813	40	5		EDBBRN
CCCCC[NH2+][C@@H](CC(=O)Nc1ccc(N)c([N+](=O)[O-])c1)C(=O)[O-]	ZINC000065090354	214828106	/nfs/dbraw/zinc/82/81/06/214828106.db2.gz	TWLFUGQQFZVQOT-LBPRGKRZSA-N	0	0	338.364	1.739	40	5		EDBBRN
CCOC(=O)[C@H](NC(C)=O)[C@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000003040511	440888299	/nfs/dbraw/zinc/88/82/99/440888299.db2.gz	NLESYMLLKKAYDH-ZIAGYGMSSA-N	0	0	338.316	1.267	40	5		EDBBRN
CCOC(=O)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=S)N[C@@]1(C)O	ZINC000004573227	440923165	/nfs/dbraw/zinc/92/31/65/440923165.db2.gz	MZJXZKVHHNSFHZ-GYSYKLTISA-N	0	0	339.373	1.001	40	5		EDBBRN
O=C([O-])CNc1nc(NCc2ccccc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000328991197	444436708	/nfs/dbraw/zinc/43/67/08/444436708.db2.gz	ISCBAVJLELJVMG-UHFFFAOYSA-N	0	0	343.343	1.215	40	5		EDBBRN
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1C=C([O-])NC(N2CCCCC2)=[NH+]1	ZINC000017071976	211953352	/nfs/dbraw/zinc/95/33/52/211953352.db2.gz	SDJPXJONBIGWEH-CYBMUJFWSA-N	0	0	345.359	1.264	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCCC1)S(C)(=O)=O	ZINC000010334762	211166011	/nfs/dbraw/zinc/16/60/11/211166011.db2.gz	AYRVOYPHXFXQCU-UHFFFAOYSA-N	0	0	341.389	1.292	40	5		EDBBRN
Cc1nn(C)c(C)c1CN(C)C(=O)[C@@H](C)n1cc([N+](=O)[O-])c(C)n1	ZINC000002777554	440875072	/nfs/dbraw/zinc/87/50/72/440875072.db2.gz	JUJIIEKZZAJZBL-GFCCVEGCSA-N	0	0	334.380	1.670	40	5		EDBBRN
CCNC(=O)c1cc2c(nc3ccc(C)cn3c2=O)nc1NCC	ZINC000019529412	212040017	/nfs/dbraw/zinc/04/00/17/212040017.db2.gz	MNWNFRCLTZEYCO-UHFFFAOYSA-N	0	0	325.372	1.733	40	5		EDBBRN
O=C(CN1CCC(NC(=O)C2CC2)CC1)Nc1ccccc1[N+](=O)[O-]	ZINC000004908997	210319822	/nfs/dbraw/zinc/31/98/22/210319822.db2.gz	LZYWAOAHHCJXLO-UHFFFAOYSA-N	0	0	346.387	1.524	40	5		EDBBRN
CC1=CC[C@@H]2C(=O)N(NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	ZINC000408677934	276183087	/nfs/dbraw/zinc/18/30/87/276183087.db2.gz	CGGRWHNWTIKHAD-STQMWFEESA-N	0	0	329.312	1.581	40	5		EDBBRN
CCN(CC)C(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000010366466	441113135	/nfs/dbraw/zinc/11/31/35/441113135.db2.gz	QHFMPBVKSPHNCQ-UHFFFAOYSA-N	0	0	343.405	1.538	40	5		EDBBRN
O=C(C[C@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000013776768	441167274	/nfs/dbraw/zinc/16/72/74/441167274.db2.gz	PDUFJMZIZWSOSY-HZSPNIEDSA-N	0	0	332.360	1.323	40	5		EDBBRN
O=C(C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O)Nc1ccccc1[N+](=O)[O-]	ZINC000014165426	441176574	/nfs/dbraw/zinc/17/65/74/441176574.db2.gz	MVSZUIFCMHUZIN-MDZLAQPJSA-N	0	0	332.360	1.323	40	5		EDBBRN
C[C@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)n1	ZINC000329047767	444457597	/nfs/dbraw/zinc/45/75/97/444457597.db2.gz	UHKGWNXDJRTZGC-SECBINFHSA-N	0	0	347.350	1.781	40	5		EDBBRN
O=C(NCCSc1nc[nH]n1)C1(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000225989770	242082879	/nfs/dbraw/zinc/08/28/79/242082879.db2.gz	QZUGDXTXWKPKKN-UHFFFAOYSA-N	0	0	333.373	1.653	40	5		EDBBRN
O=c1[nH]c2c(s1)[C@H]1c3cc([N+](=O)[O-])ccc3O[C@@H](O)[C@@H]1CS2	ZINC000035053056	285197950	/nfs/dbraw/zinc/19/79/50/285197950.db2.gz	RJEFWXGTPVRTJC-VFWDIBGWSA-N	0	0	338.366	1.909	40	5		EDBBRN
Cc1ncc([N+](=O)[O-])n1S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C	ZINC000004911177	302705924	/nfs/dbraw/zinc/70/59/24/302705924.db2.gz	IZRDPGQYYJVLBP-QMTHXVAHSA-N	0	0	341.389	1.673	40	5		EDBBRN
COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cc([N+](=O)[O-])ccc1C	ZINC000008570088	441096355	/nfs/dbraw/zinc/09/63/55/441096355.db2.gz	TZLSFVOJDVTYRX-NSHDSACASA-N	0	0	347.327	1.425	40	5		EDBBRN
Cn1ccs/c1=N\C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	ZINC000018007645	441247089	/nfs/dbraw/zinc/24/70/89/441247089.db2.gz	QDGQQSBFPBSHJZ-SEYXRHQNSA-N	0	0	341.370	1.139	40	5		EDBBRN
COc1n[nH]c(C(=O)Nc2ccc3c(C)cc(=O)oc3c2)c1[N+](=O)[O-]	ZINC000006412663	440991624	/nfs/dbraw/zinc/99/16/24/440991624.db2.gz	CZMGWBLCSNMUHM-UHFFFAOYSA-N	0	0	344.283	1.994	40	5		EDBBRN
C[C@@H]1C=CC[C@@H]2C(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000007881687	441073260	/nfs/dbraw/zinc/07/32/60/441073260.db2.gz	AXEZYZZUVSGDMP-JIMOISOXSA-N	0	0	329.312	1.437	40	5		EDBBRN
N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(=O)c2ccco2)CC1	ZINC000225245705	443100292	/nfs/dbraw/zinc/10/02/92/443100292.db2.gz	IMAYJKBDBGEENN-UHFFFAOYSA-N	0	0	344.331	1.387	40	5		EDBBRN
O=[N+]([O-])c1ccc(Cn2cncn2)cc1I	ZINC000245189558	486578260	/nfs/dbraw/zinc/57/82/60/486578260.db2.gz	ROTBHQQGSYSQGF-UHFFFAOYSA-N	0	0	330.085	1.839	40	5		EDBBRN
NC(=O)c1ccc(Sc2nnc(C(F)F)n2N)c([N+](=O)[O-])c1	ZINC000216904475	241220536	/nfs/dbraw/zinc/22/05/36/241220536.db2.gz	KVMNJJFFWZHJNM-UHFFFAOYSA-N	0	0	330.276	1.088	40	5		EDBBRN
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NC2CCCCC2)n1	ZINC000021451467	212224706	/nfs/dbraw/zinc/22/47/06/212224706.db2.gz	XJBHQRARSIFWDQ-UHFFFAOYSA-N	0	0	334.336	1.594	40	5		EDBBRN
COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	ZINC000409100653	250308468	/nfs/dbraw/zinc/30/84/68/250308468.db2.gz	RGLGHCQRNFYYJX-YTDSJMIDSA-N	0	0	326.286	1.786	40	5		EDBBRN
CC(=O)OCc1cc(=O)n(C)c2c3c4c(cc12)c(C)cc(=O)n4CO3	ZINC000001583359	440848779	/nfs/dbraw/zinc/84/87/79/440848779.db2.gz	XYJPAUAINJQUMT-UHFFFAOYSA-N	0	0	340.335	1.575	40	5		EDBBRN
Cc1ccc(N2C[C@@H](C(=O)NC[C@@H]3CCCO3)CC2=O)cc1[N+](=O)[O-]	ZINC000007928490	441075310	/nfs/dbraw/zinc/07/53/10/441075310.db2.gz	SNBPOLHMMNKRBC-JSGCOSHPSA-N	0	0	347.371	1.551	40	5		EDBBRN
COC(=O)[C@@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2OC)C1	ZINC000045958671	441065894	/nfs/dbraw/zinc/06/58/94/441065894.db2.gz	LKGLDHHJQKIZML-SNVBAGLBSA-N	0	0	337.332	1.037	40	5		EDBBRN
CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2-n2cnnc2)CC1	ZINC000070461862	441112664	/nfs/dbraw/zinc/11/26/64/441112664.db2.gz	YHRWLWUHWVFSTI-UHFFFAOYSA-N	0	0	344.375	1.480	40	5		EDBBRN
Cc1nnc(NC(=O)[C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2)s1	ZINC000008474045	441092581	/nfs/dbraw/zinc/09/25/81/441092581.db2.gz	MOTTWHFBRVWTON-SECBINFHSA-N	0	0	347.356	1.746	40	5		EDBBRN
Nc1c([N+](=O)[O-])c(-c2cccc(Br)c2)nn1CCO	ZINC000096527782	442146503	/nfs/dbraw/zinc/14/65/03/442146503.db2.gz	GOONJDPVKCODLQ-UHFFFAOYSA-N	0	0	327.138	1.795	40	5		EDBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O	ZINC000251042808	443013387	/nfs/dbraw/zinc/01/33/87/443013387.db2.gz	MNHOCVARTNGIOQ-KFWWJZLASA-N	0	0	346.387	1.631	40	5		EDBBRN
Cn1c2[nH]c(CCCc3ccc([N+](=O)[O-])cc3)nc2c(=O)n(C)c1=O	ZINC000001621543	209768566	/nfs/dbraw/zinc/76/85/66/209768566.db2.gz	XEDGZYRGDFZVQZ-UHFFFAOYSA-N	0	0	343.343	1.044	40	5	in-vitro	EDBBRN
Nn1c(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nnc1C(F)F	ZINC000216903666	241220331	/nfs/dbraw/zinc/22/03/31/241220331.db2.gz	PHZOWALVDJUUHO-UHFFFAOYSA-N	0	0	332.248	1.897	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)C)S(C)(=O)=O	ZINC000010434068	211173364	/nfs/dbraw/zinc/17/33/64/211173364.db2.gz	PWABIWBRWZILCJ-UHFFFAOYSA-N	0	0	329.378	1.194	40	5		EDBBRN
Cc1nn(C)c(C)c1CN(C)C(=O)[C@H](C)n1cc([N+](=O)[O-])c(C)n1	ZINC000002777553	440875506	/nfs/dbraw/zinc/87/55/06/440875506.db2.gz	JUJIIEKZZAJZBL-LBPRGKRZSA-N	0	0	334.380	1.670	40	5		EDBBRN
COC(=O)C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1	ZINC000004653661	210238852	/nfs/dbraw/zinc/23/88/52/210238852.db2.gz	SQULSHATMUATPX-CQSZACIVSA-N	0	0	335.360	1.951	40	5		EDBBRN
COC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2OC)C1	ZINC000045958674	213769906	/nfs/dbraw/zinc/76/99/06/213769906.db2.gz	LKGLDHHJQKIZML-JTQLQIEISA-N	0	0	337.332	1.037	40	5		EDBBRN
CNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000022278813	212287836	/nfs/dbraw/zinc/28/78/36/212287836.db2.gz	OKBHJHPMCWDNOS-UHFFFAOYSA-N	0	0	349.368	1.536	40	5		EDBBRN
CC(C)(C)NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000012495979	211393189	/nfs/dbraw/zinc/39/31/89/211393189.db2.gz	QGIYWUUACPZMNA-UHFFFAOYSA-N	0	0	326.334	1.906	40	5		EDBBRN
CNc1nc(NCc2ccccc2[N+](=O)[O-])cc(C(F)(F)F)n1	ZINC000328997294	444439002	/nfs/dbraw/zinc/43/90/02/444439002.db2.gz	JNYOQBLYVMPYEK-UHFFFAOYSA-N	0	0	327.266	1.901	40	5		EDBBRN
C[C@@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004959812	210339970	/nfs/dbraw/zinc/33/99/70/210339970.db2.gz	KQVYYMFIKKJDFF-SSDOTTSWSA-N	0	0	334.361	1.669	40	5		EDBBRN
Cn1ccnc1Sc1ccc(C2OC(=O)CC(=O)O2)cc1[N+](=O)[O-]	ZINC000059488737	441228888	/nfs/dbraw/zinc/22/88/88/441228888.db2.gz	VTEAGCVJOZSIJD-UHFFFAOYSA-N	0	0	349.324	1.968	40	5		EDBBRN
C[C@@](Br)([C@@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000096521238	442146478	/nfs/dbraw/zinc/14/64/78/442146478.db2.gz	LYHVSRORMZXJOP-UWVGGRQHSA-N	0	0	338.179	1.784	40	5		EDBBRN
CN1CCN(c2nc(Cl)nc(Nc3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000005319779	440947344	/nfs/dbraw/zinc/94/73/44/440947344.db2.gz	ZEMGKCNUIBOYCE-UHFFFAOYSA-N	0	0	349.782	1.929	40	5		EDBBRN
Cc1ccc(NC(=O)C[C@@H]2N[C@@H]3CCCC[C@@H]3NC2=O)cc1[N+](=O)[O-]	ZINC000014607360	441186088	/nfs/dbraw/zinc/18/60/88/441186088.db2.gz	QUGWPPRXSBRDKG-RDBSUJKOSA-N	0	0	346.387	1.631	40	5		EDBBRN
COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000017068515	441236244	/nfs/dbraw/zinc/23/62/44/441236244.db2.gz	QIPZYVIVVUPTTG-NSHDSACASA-N	0	0	333.300	1.116	40	5		EDBBRN
O=[N+]([O-])c1cc(Nc2cc(C3CC3)nc(NCCO)n2)ccc1F	ZINC000328970375	444428936	/nfs/dbraw/zinc/42/89/36/444428936.db2.gz	DKIGCURTRCEEKM-UHFFFAOYSA-N	0	0	333.323	1.393	40	5		EDBBRN
C[C@@H](CO)Nc1nc(Nc2ccc(F)cc2[N+](=O)[O-])cc(C2CC2)n1	ZINC000329047770	444457622	/nfs/dbraw/zinc/45/76/22/444457622.db2.gz	UHKGWNXDJRTZGC-VIFPVBQESA-N	0	0	347.350	1.781	40	5		EDBBRN
COC(=O)CCC(=O)N1c2cc([N+](=O)[O-])ccc2NC(=O)C[C@H]1C	ZINC000004565076	210222469	/nfs/dbraw/zinc/22/24/69/210222469.db2.gz	DATLWCAZYALKDX-SECBINFHSA-N	0	0	335.316	1.612	40	5		EDBBRN
NC(=S)Nc1nc2c(s1)c([N+](=O)[O-])ccc2N1CCOCC1	ZINC000020154738	283397666	/nfs/dbraw/zinc/39/76/66/283397666.db2.gz	VPSAXARWGQODFD-UHFFFAOYSA-N	0	0	339.402	1.697	40	5		EDBBRN
COC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)nn1C	ZINC000408561372	250304775	/nfs/dbraw/zinc/30/47/75/250304775.db2.gz	IMBVTTVWLDNJNX-UHFFFAOYSA-N	0	0	339.691	1.988	40	5		EDBBRN
CC1=CC[C@@H]2C(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1	ZINC000408654859	250307219	/nfs/dbraw/zinc/30/72/19/250307219.db2.gz	QWXLLORSXXYXBF-QWHCGFSZSA-N	0	0	329.312	1.581	40	5		EDBBRN
CCCn1nnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1	ZINC000009064369	211037582	/nfs/dbraw/zinc/03/75/82/211037582.db2.gz	RXWAEEJMBVURCF-UHFFFAOYSA-N	0	0	345.363	1.844	40	5		EDBBRN
O=[N+]([O-])c1ccc2[nH]c(=S)n(C[C@@H]3CCS(=O)(=O)C3)c2c1	ZINC000040166760	213278711	/nfs/dbraw/zinc/27/87/11/213278711.db2.gz	XTBRWUMFWVIMBF-QMMMGPOBSA-N	0	0	327.387	1.668	40	5		EDBBRN
C[C@@H]1CC[C@H]2C(=O)N(NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1	ZINC000408679450	250307527	/nfs/dbraw/zinc/30/75/27/250307527.db2.gz	FEFZMQOERIEHDP-WQAKAFBOSA-N	0	0	331.328	1.661	40	5		EDBBRN
COC(=O)[C@@](O)(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000004893691	210314933	/nfs/dbraw/zinc/31/49/33/210314933.db2.gz	WSIPXCXKHROSLD-NSHDSACASA-N	0	0	336.222	1.390	40	5		EDBBRN
COCCn1c2ccccc2nc2c(=O)n(-c3ccccc3)c(=O)nc1-2	ZINC000001565049	440846375	/nfs/dbraw/zinc/84/63/75/440846375.db2.gz	VBIVGEJXWFOZBG-UHFFFAOYSA-N	0	0	348.362	1.694	40	5		EDBBRN
COC(=O)[C@H]1[C@H]2CC(=O)[C@H](c3cccc([N+](=O)[O-])c32)[C@@H]1C(=O)OC	ZINC000004828027	440928937	/nfs/dbraw/zinc/92/89/37/440928937.db2.gz	KDQBUWYUZUHUGY-GZBPVQSJSA-N	0	0	333.296	1.327	40	5		EDBBRN
NC(=O)[C@H]1CC(=O)N(CCCNc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000057332516	441109926	/nfs/dbraw/zinc/10/99/26/441109926.db2.gz	ZXAHEKQTTPVWSE-VIFPVBQESA-N	0	0	340.767	1.384	40	5		EDBBRN
CCOC(=O)[C@H]1C[C@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N2CCC[C@H]12	ZINC000036044332	441605100	/nfs/dbraw/zinc/60/51/00/441605100.db2.gz	NHOQVTSGODSKOH-KHIZAZIESA-N	0	0	345.355	1.790	40	5		EDBBRN
Cc1nc2n(n1)C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2	ZINC000040386833	213295771	/nfs/dbraw/zinc/29/57/71/213295771.db2.gz	VLMSBHAZRJMACI-SECBINFHSA-N	0	0	330.304	1.092	40	5		EDBBRN
C[C@@]1(n2c3cc([N+](=O)[O-])ccc3[nH]c2=S)CCS(=O)(=O)C1	ZINC000040166757	213277859	/nfs/dbraw/zinc/27/78/59/213277859.db2.gz	UWSXRJLFIQGWEC-GFCCVEGCSA-N	0	0	327.387	1.767	40	5		EDBBRN
C[C@H]1CCCC[C@H]1NC(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000000422697	440820611	/nfs/dbraw/zinc/82/06/11/440820611.db2.gz	MZOIUOBTOWBTIU-SMDDNHRTSA-N	0	0	344.375	1.943	40	5		EDBBRN
CCn1cc(CNC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)cn1	ZINC000002731603	440873613	/nfs/dbraw/zinc/87/36/13/440873613.db2.gz	SPCYZBZWUAFEPZ-UHFFFAOYSA-N	0	0	326.744	1.368	40	5		EDBBRN
O=[N+]([O-])/C=C/c1ccc2c(c1)OCCOCCOCCOCCO2	ZINC000005865178	440971595	/nfs/dbraw/zinc/97/15/95/440971595.db2.gz	CEQCVERGWPQNEF-ONEGZZNKSA-N	0	0	339.344	1.755	40	5		EDBBRN
Cc1nc2n(n1)C[C@@H](CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1)C(=O)N2	ZINC000040386839	213295827	/nfs/dbraw/zinc/29/58/27/213295827.db2.gz	IFENLGTXUCTYQM-SNVBAGLBSA-N	0	0	344.331	1.400	40	5		EDBBRN
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([N+](=O)[O-])o1	ZINC000019597571	212050739	/nfs/dbraw/zinc/05/07/39/212050739.db2.gz	PORVRFWSTDKDPM-UHFFFAOYSA-N	0	0	336.300	1.769	40	5		EDBBRN
O=C(NC[C@@H]1CCCO1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408642636	250307062	/nfs/dbraw/zinc/30/70/62/250307062.db2.gz	PHPNLCNKDJHUCG-RISCZKNCSA-N	0	0	333.344	1.243	40	5		EDBBRN
COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@@](C)(O3)[C@H]2C1=O	ZINC000005017832	210363629	/nfs/dbraw/zinc/36/36/29/210363629.db2.gz	ZIJPMAAJMQFPFS-MZXFEWSRSA-N	0	0	330.296	1.436	40	5		EDBBRN
O=c1c([N+](=O)[O-])c(C=Cc2ccc([N+](=O)[O-])cc2)[nH]c2ncnn21	ZINC000016400213	304802034	/nfs/dbraw/zinc/80/20/34/304802034.db2.gz	GBBFUXSOEUJJHE-ZZXKWVIFSA-N	0	0	328.244	1.817	40	5		EDBBRN
CCn1nnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)n1	ZINC000057316425	441107927	/nfs/dbraw/zinc/10/79/27/441107927.db2.gz	XRODUAUFTUSEFT-UHFFFAOYSA-N	0	0	335.349	1.036	40	5		EDBBRN
O=c1c([N+](=O)[O-])c(C=Cc2ccccc2[N+](=O)[O-])[nH]c2ncnn21	ZINC000016448955	441224319	/nfs/dbraw/zinc/22/43/19/441224319.db2.gz	FYROQPNRQVSUHC-AATRIKPKSA-N	0	0	328.244	1.817	40	5		EDBBRN
O=C1NC[C@@]2(F)CN(Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@]12F	ZINC000306127991	444285464	/nfs/dbraw/zinc/28/54/64/444285464.db2.gz	GNFCDRXDISWYRC-CHWSQXEVSA-N	0	0	331.706	1.610	40	5		EDBBRN
Cc1c(Nc2cc(C3CC3)nc(NCC(=O)[O-])n2)cccc1[N+](=O)[O-]	ZINC000329003444	444441841	/nfs/dbraw/zinc/44/18/41/444441841.db2.gz	KNJGZBZRKMNKEV-UHFFFAOYSA-N	0	0	343.343	1.655	40	5		EDBBRN
Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)no1	ZINC000408644400	447678166	/nfs/dbraw/zinc/67/81/66/447678166.db2.gz	SUMWSGSFHVCQKA-SNVBAGLBSA-N	0	0	330.300	1.883	40	5		EDBBRN
CCSc1n[n+]2cnc3ccc(Br)cc3c2c(=O)[n-]1	ZINC000588227634	448886595	/nfs/dbraw/zinc/88/65/95/448886595.db2.gz	BUTSHSLKGVHFQM-UHFFFAOYSA-O	0	0	338.210	1.931	40	5		EDBBRN
O=C1c2ccccc2C(=O)N1C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000003471242	527132018	/nfs/dbraw/zinc/13/20/18/527132018.db2.gz	RMJHRUYOPMHIEG-NSHDSACASA-N	0	0	342.307	1.631	40	5		EDBBRN
Nn1ccc2nc3ccn(Cc4ccccc4F)c(=O)c3cc2c1=O	ZINC000040398640	213297653	/nfs/dbraw/zinc/29/76/53/213297653.db2.gz	VINBLRVEAGIJKQ-UHFFFAOYSA-N	0	0	336.326	1.613	40	5		EDBBRN
CC(C)Cn1nnc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000009140156	211044754	/nfs/dbraw/zinc/04/47/54/211044754.db2.gz	DWVOILYVGFWMRH-UHFFFAOYSA-N	0	0	349.376	1.364	40	5		EDBBRN
Cc1nnc(Sc2c(Cl)cc(C(N)=O)cc2[N+](=O)[O-])n1N	ZINC000070462515	441112596	/nfs/dbraw/zinc/11/25/96/441112596.db2.gz	IVNIJHPZFOCDHO-UHFFFAOYSA-N	0	0	328.741	1.112	40	5		EDBBRN
Cc1nnc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)s1	ZINC000008473960	441093186	/nfs/dbraw/zinc/09/31/86/441093186.db2.gz	YTIKQDLFMKJCNW-VIFPVBQESA-N	0	0	347.356	1.746	40	5		EDBBRN
O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)NC(=O)[C@@H]2[C@H]2C=CC=NN21	ZINC000009059089	211036408	/nfs/dbraw/zinc/03/64/08/211036408.db2.gz	GIMUVRCWIHSISC-FVCCEPFGSA-N	0	0	340.295	1.115	40	5		EDBBRN
CCOC(=O)[C@@H](NC(C)=O)[C@@H](OC(C)=O)c1ccc([N+](=O)[O-])cc1	ZINC000003040515	440887718	/nfs/dbraw/zinc/88/77/18/440887718.db2.gz	NLESYMLLKKAYDH-KBPBESRZSA-N	0	0	338.316	1.267	40	5		EDBBRN
O=c1/c(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)sc2n1CCN=2	ZINC000005553033	440958768	/nfs/dbraw/zinc/95/87/68/440958768.db2.gz	YNJMYQDMOAYLTG-NTEUORMPSA-N	0	0	341.348	1.540	40	5		EDBBRN
CC1=CC[C@H]2C(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1	ZINC000408654856	250307331	/nfs/dbraw/zinc/30/73/31/250307331.db2.gz	QWXLLORSXXYXBF-OLZOCXBDSA-N	0	0	329.312	1.581	40	5		EDBBRN
COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000006760292	210706013	/nfs/dbraw/zinc/70/60/13/210706013.db2.gz	SUFAJGBIQSXFMS-LLVKDONJSA-N	0	0	333.300	1.116	40	5		EDBBRN
O=c1[nH]cnc2c1C(c1ccccc1[N+](=O)[O-])c1c(=O)[nH]cnc1O2	ZINC000008680574	304814776	/nfs/dbraw/zinc/81/47/76/304814776.db2.gz	VKDWFYCGOOPOSX-UHFFFAOYSA-N	0	0	339.267	1.047	40	5		EDBBRN
C[C@H](CO)Nc1nc(Nc2ccc(F)c([N+](=O)[O-])c2)cc(C2CC2)n1	ZINC000329046008	444457009	/nfs/dbraw/zinc/45/70/09/444457009.db2.gz	TYXBROVYIDBENW-SECBINFHSA-N	0	0	347.350	1.781	40	5		EDBBRN
O=C(COc1cccc(-n2cnnn2)c1)Nc1ccc([N+](=O)[O-])cc1	ZINC000004129567	210127982	/nfs/dbraw/zinc/12/79/82/210127982.db2.gz	HYBZPNZZAGTOKC-UHFFFAOYSA-N	0	0	340.299	1.588	40	5		EDBBRN
O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1ccccc1[N+](=O)[O-]	ZINC000037065739	213132976	/nfs/dbraw/zinc/13/29/76/213132976.db2.gz	MVSZUIFCMHUZIN-LOWVWBTDSA-N	0	0	332.360	1.323	40	5		EDBBRN
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NC2CCCCCC2)n1	ZINC000021451469	212224978	/nfs/dbraw/zinc/22/49/78/212224978.db2.gz	VKNDDHWDJRAGBY-UHFFFAOYSA-N	0	0	348.363	1.984	40	5		EDBBRN
COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(SC)cc1	ZINC000006626090	210665131	/nfs/dbraw/zinc/66/51/31/210665131.db2.gz	AZTKJKISAOEXOI-LLVKDONJSA-N	0	0	327.358	1.731	40	5		EDBBRN
C[C@@H]1CC[C@H]2C(=O)N(NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	ZINC000408679449	287803302	/nfs/dbraw/zinc/80/33/02/287803302.db2.gz	FEFZMQOERIEHDP-OASPWFOLSA-N	0	0	331.328	1.661	40	5		EDBBRN
O=[N+]([O-])c1ccc(-c2nc3ccccc3c(N(CCO)CCO)n2)o1	ZINC000000001810	440794544	/nfs/dbraw/zinc/79/45/44/440794544.db2.gz	AUEOHSUMWXAPBX-UHFFFAOYSA-N	0	0	344.327	1.589	40	5	in-man	EDBBRN
Cc1ccc(C(=O)N[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002792614	440877030	/nfs/dbraw/zinc/87/70/30/440877030.db2.gz	NBSQNHNKCJLODZ-JKSUJKDBSA-N	0	0	330.340	1.728	40	5		EDBBRN
CC(=O)Oc1cc(=O)[nH]c2ccc3[nH]c(=O)cc(OC(C)=O)c3c21	ZINC000005481166	440956537	/nfs/dbraw/zinc/95/65/37/440956537.db2.gz	GOJJLHWKMRGYQW-UHFFFAOYSA-N	0	0	328.280	1.220	40	5		EDBBRN
CCCCn1nnc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])n1	ZINC000057316403	441107847	/nfs/dbraw/zinc/10/78/47/441107847.db2.gz	MSHYDYQNXJXJMX-UHFFFAOYSA-N	0	0	349.376	1.508	40	5		EDBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCC(=O)N1	ZINC000070718385	441116358	/nfs/dbraw/zinc/11/63/58/441116358.db2.gz	DUFSVYPMTLZWTA-JTQLQIEISA-N	0	0	332.341	1.935	40	5		EDBBRN
C[C@@H]1CC[C@@H]2C(=O)N(NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	ZINC000008475039	441092761	/nfs/dbraw/zinc/09/27/61/441092761.db2.gz	FEFZMQOERIEHDP-JIMOISOXSA-N	0	0	331.328	1.661	40	5		EDBBRN
C[C@@]1(c2cccc([N+](=O)[O-])c2)NNC(=O)[C@H]1NC(=O)c1ccccc1	ZINC000034195294	500914385	/nfs/dbraw/zinc/91/43/85/500914385.db2.gz	ZMJDTEUTNPAWEB-PBHICJAKSA-N	0	0	340.339	1.243	40	5		EDBBRN
CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(-c2ccncc2)n1	ZINC000329039610	444454579	/nfs/dbraw/zinc/45/45/79/444454579.db2.gz	RXVJJMVFCLMXKY-UHFFFAOYSA-N	0	0	336.355	1.944	40	5		EDBBRN
CS(=O)(=O)N(CC(=O)N1CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000409029040	447681144	/nfs/dbraw/zinc/68/11/44/447681144.db2.gz	ULYGQYSVPWWZML-UHFFFAOYSA-N	0	0	341.389	1.373	40	5		EDBBRN
CCCOC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C)n1N	ZINC000070462429	215697564	/nfs/dbraw/zinc/69/75/64/215697564.db2.gz	YIYMOQFSLNQMGY-UHFFFAOYSA-N	0	0	337.361	1.927	40	5		EDBBRN
C[C@@H]1C[C@@H](NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(C)C(=S)N1	ZINC000009057286	441102427	/nfs/dbraw/zinc/10/24/27/441102427.db2.gz	AEZDMTCWEFEYIV-HQJQHLMTSA-N	0	0	340.365	1.344	40	5		EDBBRN
O=c1[nH]cnc2c1ncn2CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000008617630	441097133	/nfs/dbraw/zinc/09/71/33/441097133.db2.gz	JOIDRQCHIITUDI-UHFFFAOYSA-N	0	0	330.260	1.179	40	5		EDBBRN
C[C@]1(c2cccc([N+](=O)[O-])c2)NNC(=O)[C@H]1NC(=O)c1ccccc1	ZINC000034195296	441599628	/nfs/dbraw/zinc/59/96/28/441599628.db2.gz	ZMJDTEUTNPAWEB-RHSMWYFYSA-N	0	0	340.339	1.243	40	5		EDBBRN
Cc1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-]	ZINC000016250168	201973036	/nfs/dbraw/zinc/97/30/36/201973036.db2.gz	AIDKENVYCQIUBX-UHFFFAOYSA-N	0	0	341.389	1.513	40	5		EDBBRN
CCCn1cnc2c1nc(N)nc2Sc1c([N+](=O)[O-])ncn1C	ZINC000001676892	201516325	/nfs/dbraw/zinc/51/63/25/201516325.db2.gz	JNJGQBBQHDKNMN-UHFFFAOYSA-N	0	0	334.365	1.611	40	5		EDBBRN
COC(=O)c1ccc(OC(=O)c2nn(C)cc2[N+](=O)[O-])c(OC)c1	ZINC000000037115	440794699	/nfs/dbraw/zinc/79/46/99/440794699.db2.gz	MRIDJUKLHIEKFO-UHFFFAOYSA-N	0	0	335.272	1.343	40	5		EDBBRN
C[C@H]1CCCN(C(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000000422688	440820630	/nfs/dbraw/zinc/82/06/30/440820630.db2.gz	RLSSXLBFJBERIN-NSHDSACASA-N	0	0	330.348	1.507	40	5		EDBBRN
COc1ccc(NC(=O)Cn2nnc3ccccc32)c([N+](=O)[O-])c1	ZINC000004129537	440912495	/nfs/dbraw/zinc/91/24/95/440912495.db2.gz	HFGGVSGJWJQNBD-UHFFFAOYSA-N	0	0	327.300	1.987	40	5		EDBBRN
C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004959811	440932042	/nfs/dbraw/zinc/93/20/42/440932042.db2.gz	KQVYYMFIKKJDFF-ZETCQYMHSA-N	0	0	334.361	1.669	40	5		EDBBRN
CN(C)n1ccc2nc3ccn(Cc4ccncc4)c(=O)c3cc2c1=O	ZINC000040398676	276817371	/nfs/dbraw/zinc/81/73/71/276817371.db2.gz	AZXDGJMTFFMFGQ-UHFFFAOYSA-N	0	0	347.378	1.352	40	5		EDBBRN
CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033921897	278236870	/nfs/dbraw/zinc/23/68/70/278236870.db2.gz	BETKGCRBPSJYRL-YVSFHVDLSA-N	0	0	333.340	1.813	40	5		EDBBRN
COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(SC)cc1	ZINC000006626088	441002145	/nfs/dbraw/zinc/00/21/45/441002145.db2.gz	AZTKJKISAOEXOI-NSHDSACASA-N	0	0	327.358	1.731	40	5		EDBBRN
CC(=O)N1CCO[C@]2(CCCN(Cc3ccccc3[N+](=O)[O-])C2)C1	ZINC000063527681	441335318	/nfs/dbraw/zinc/33/53/18/441335318.db2.gz	AINBINXLLDLQQI-KRWDZBQOSA-N	0	0	333.388	1.808	40	5		EDBBRN
COc1cc(OCC(=O)Nc2ccccc2C(N)=O)ccc1[N+](=O)[O-]	ZINC000066017692	441499083	/nfs/dbraw/zinc/49/90/83/441499083.db2.gz	LEDYIDFCGYOBQK-UHFFFAOYSA-N	0	0	345.311	1.720	40	5		EDBBRN
C[C@](Br)(C(=O)c1ccc([N+](=O)[O-])cc1)S(C)(=O)=O	ZINC000096518589	442146232	/nfs/dbraw/zinc/14/62/32/442146232.db2.gz	SMILRHRMMCNXRA-SNVBAGLBSA-N	0	0	336.163	1.933	40	5		EDBBRN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](O)c1ccccc1	ZINC000006851065	201701813	/nfs/dbraw/zinc/70/18/13/201701813.db2.gz	HESJENVBIHQOEH-XHDPSFHLSA-N	0	0	336.369	1.995	40	5		EDBBRN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	ZINC000006851004	441019804	/nfs/dbraw/zinc/01/98/04/441019804.db2.gz	HESJENVBIHQOEH-NHYWBVRUSA-N	0	0	336.369	1.995	40	5		EDBBRN
O=c1[nH]c2c(s1)[C@H]1c3cc([N+](=O)[O-])ccc3O[C@H](O)[C@H]1CS2	ZINC000032597838	441561750	/nfs/dbraw/zinc/56/17/50/441561750.db2.gz	RJEFWXGTPVRTJC-DXBFQKDVSA-N	0	0	338.366	1.909	40	5		EDBBRN
CC(C)CNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409027361	257882153	/nfs/dbraw/zinc/88/21/53/257882153.db2.gz	CVGXYRKINIUZOU-UHFFFAOYSA-N	0	0	329.378	1.133	40	5		EDBBRN
O=C(COc1cccc(-n2cnnn2)c1)Nc1cccc([N+](=O)[O-])c1	ZINC000000411495	440818662	/nfs/dbraw/zinc/81/86/62/440818662.db2.gz	TYQBPBACHQPMJE-UHFFFAOYSA-N	0	0	340.299	1.588	40	5		EDBBRN
CCOC(=O)[C@H](NC(C)=O)[C@@H](OC(C)=O)c1cccc([N+](=O)[O-])c1	ZINC000004719012	440926953	/nfs/dbraw/zinc/92/69/53/440926953.db2.gz	QGECBIULUSFBRH-KGLIPLIRSA-N	0	0	338.316	1.267	40	5		EDBBRN
CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4ON=C(c5ccc([N+](=O)[O-])cc5)[C@@H]43)[C@@H]2C1=O	ZINC000008485597	441093861	/nfs/dbraw/zinc/09/38/61/441093861.db2.gz	FYSXCXASBXFKHZ-YZDFOLFKSA-N	0	0	341.323	1.195	40	5		EDBBRN
COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000017068513	441236308	/nfs/dbraw/zinc/23/63/08/441236308.db2.gz	ODTOHIWBLMMPHA-SECBINFHSA-N	0	0	333.300	1.116	40	5		EDBBRN
O=C1C[C@@H](N2CCCC[C@@H]2CCO)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000105330594	441253153	/nfs/dbraw/zinc/25/31/53/441253153.db2.gz	STAAACPNLLQGQL-IUODEOHRSA-N	0	0	347.371	1.464	40	5		EDBBRN
NS(=O)(=O)c1ccc(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)cc1	ZINC000033280112	212914394	/nfs/dbraw/zinc/91/43/94/212914394.db2.gz	PHANZYFPUIZPCM-WTKPLQERSA-N	0	0	347.352	1.894	40	5		EDBBRN
CCCNS(=O)(=O)c1ccc(N2CCCC2=O)c([N+](=O)[O-])c1	ZINC000004611164	201056770	/nfs/dbraw/zinc/05/67/70/201056770.db2.gz	QMNPUQACTFMSDF-UHFFFAOYSA-N	0	0	327.362	1.410	40	5		EDBBRN
O=C(C[C@H]1OC[C@@H]2CCCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005043759	201635660	/nfs/dbraw/zinc/63/56/60/201635660.db2.gz	KGCMOABSSXQSHW-UONOGXRCSA-N	0	0	333.344	1.703	40	5		EDBBRN
Cn1c(CN2CCOCC2)nnc1SCc1ccccc1[N+](=O)[O-]	ZINC000409203206	250308313	/nfs/dbraw/zinc/30/83/13/250308313.db2.gz	WOPJPYUYPNBYHG-UHFFFAOYSA-N	0	0	349.416	1.848	40	5		EDBBRN
Cn1c(CN2CCOCC2)nnc1SCc1ccc([N+](=O)[O-])cc1	ZINC000409209124	250308536	/nfs/dbraw/zinc/30/85/36/250308536.db2.gz	GDGDSFOJPAJEIX-UHFFFAOYSA-N	0	0	349.416	1.848	40	5		EDBBRN
COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@@]3(C)O2)c([N+](=O)[O-])c1	ZINC000222311135	295155493	/nfs/dbraw/zinc/15/54/93/295155493.db2.gz	JZWIDVBSRXHVQQ-RSUWNVLCSA-N	0	0	330.296	1.436	40	5		EDBBRN
O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000001702179	440851587	/nfs/dbraw/zinc/85/15/87/440851587.db2.gz	RMJHRUYOPMHIEG-LLVKDONJSA-N	0	0	342.307	1.631	40	5		EDBBRN
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O	ZINC000005685315	440965292	/nfs/dbraw/zinc/96/52/92/440965292.db2.gz	MVDCSHHLASVGAF-UHFFFAOYSA-N	0	0	341.235	1.939	40	5		EDBBRN
NC(=O)C1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000166289415	442215710	/nfs/dbraw/zinc/21/57/10/442215710.db2.gz	SLJBQXPYOCXCHM-UHFFFAOYSA-N	0	0	337.401	1.552	40	5		EDBBRN
CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000004890800	275498928	/nfs/dbraw/zinc/49/89/28/275498928.db2.gz	IEDAQDFPNMCNHG-OWLDWWDNSA-N	0	0	342.307	1.832	40	5		EDBBRN
CCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1N	ZINC000121422587	441702733	/nfs/dbraw/zinc/70/27/33/441702733.db2.gz	GENFBZMXADXFKL-UHFFFAOYSA-N	0	0	336.377	1.502	40	5		EDBBRN
Cc1n[nH]c(=O)c2c1[C@@H](c1ccccc1[N+](=O)[O-])n1nnnc1N2	ZINC000010298444	441112564	/nfs/dbraw/zinc/11/25/64/441112564.db2.gz	RYBVDPWLLUTBLV-LLVKDONJSA-N	0	0	326.276	1.080	40	5		EDBBRN
COCCNC(=O)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023888950	441300164	/nfs/dbraw/zinc/30/01/64/441300164.db2.gz	MJTRACUOVIDCEA-UHFFFAOYSA-N	0	0	335.360	1.210	40	5		EDBBRN
COC(=O)c1ccc(Sc2nnc(C(F)F)n2N)c([N+](=O)[O-])c1	ZINC000216904270	536803577	/nfs/dbraw/zinc/80/35/77/536803577.db2.gz	KAUAMYJGQJJTNQ-UHFFFAOYSA-N	0	0	345.287	1.776	40	5		EDBBRN
O=[N+]([O-])c1cccc(C2=NNC(c3cccc([N+](=O)[O-])c3)=NN2)c1	ZINC000001723368	209787047	/nfs/dbraw/zinc/78/70/47/209787047.db2.gz	URHRTDRYHBHFJQ-UHFFFAOYSA-N	0	0	326.272	1.719	40	5		EDBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O	ZINC000010153601	211149994	/nfs/dbraw/zinc/14/99/94/211149994.db2.gz	MNHOCVARTNGIOQ-ZNMIVQPWSA-N	0	0	346.387	1.631	40	5		EDBBRN
CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	ZINC000004890797	210312550	/nfs/dbraw/zinc/31/25/50/210312550.db2.gz	IEDAQDFPNMCNHG-LMHVJCSRSA-N	0	0	342.307	1.832	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O	ZINC000014607364	441186744	/nfs/dbraw/zinc/18/67/44/441186744.db2.gz	XZYXEKPCYGPFRB-IPYPFGDCSA-N	0	0	346.387	1.631	40	5		EDBBRN
COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(C)c(OC)c1	ZINC000016347751	441220526	/nfs/dbraw/zinc/22/05/26/441220526.db2.gz	BOVYMQBPANGFQJ-NSHDSACASA-N	0	0	325.317	1.326	40	5		EDBBRN
CN1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@@H]2CS(=O)(=O)C[C@@H]21	ZINC000032508688	441559613	/nfs/dbraw/zinc/55/96/13/441559613.db2.gz	XYEZYMYANUKWLI-NEPJUHHUSA-N	0	0	341.414	1.295	40	5		EDBBRN
O=C(C[C@H]1N[C@H]2CCCC[C@@H]2NC1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004702817	210253802	/nfs/dbraw/zinc/25/38/02/210253802.db2.gz	PDUFJMZIZWSOSY-MELADBBJSA-N	0	0	332.360	1.323	40	5		EDBBRN
Nc1cc(=O)[nH]c(SCc2nnc(-c3ccccc3[N+](=O)[O-])o2)n1	ZINC000009059284	211035783	/nfs/dbraw/zinc/03/57/83/211035783.db2.gz	JABMFYUGJVASNF-UHFFFAOYSA-N	0	0	346.328	1.603	40	5		EDBBRN
Nc1nc(N)c(CCCOc2ccc([N+](=O)[O-])cc2Cl)c(N)n1	ZINC000004771697	210275048	/nfs/dbraw/zinc/27/50/48/210275048.db2.gz	OBJMJAQIFIOIPF-UHFFFAOYSA-N	0	0	338.755	1.796	40	5		EDBBRN
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@]2(C)C=C[C@@]3(C)O2)c([N+](=O)[O-])c1	ZINC000018153931	286325114	/nfs/dbraw/zinc/32/51/14/286325114.db2.gz	JVUUTOUYNCREOP-KFZJALRRSA-N	0	0	344.323	1.826	40	5		EDBBRN
Cc1n[nH]c(=O)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)n1nnnc1N2	ZINC000010298429	441112243	/nfs/dbraw/zinc/11/22/43/441112243.db2.gz	RWMSCHULXITQRF-NSHDSACASA-N	0	0	326.276	1.080	40	5		EDBBRN
CN1C(=O)[C@H]2[C@@H]3C[C@@H]([C@H]4C(c5ccc([N+](=O)[O-])cc5)=NO[C@H]34)[C@@H]2C1=O	ZINC000008485606	441093540	/nfs/dbraw/zinc/09/35/40/441093540.db2.gz	FYSXCXASBXFKHZ-DSUOEAQKSA-N	0	0	341.323	1.195	40	5		EDBBRN
Cc1ccc(S(=O)(=O)NN[C@H](C[N+](=O)[O-])c2ccccc2)cc1	ZINC000016928479	441233579	/nfs/dbraw/zinc/23/35/79/441233579.db2.gz	YBFMCODRHBETNK-OAHLLOKOSA-N	0	0	335.385	1.796	40	5		EDBBRN
CCn1nc(C)c(CN(C)C(=O)c2c([N+](=O)[O-])cnn2CC)c1C	ZINC000002778244	209909316	/nfs/dbraw/zinc/90/93/16/209909316.db2.gz	QZQCBIMPWHPCDL-UHFFFAOYSA-N	0	0	334.380	1.917	40	5		EDBBRN
O=[N+]([O-])c1ccc(Cc2cc[n+](CCOS(=O)(=O)[O-])cc2)cc1	ZINC000002556088	209867651	/nfs/dbraw/zinc/86/76/51/209867651.db2.gz	MLKVZOIIUYVOHC-UHFFFAOYSA-O	0	0	339.349	1.293	40	5		EDBBRN
CC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(C)=O)C(=O)C[C@]1(C)O	ZINC000019300921	212013910	/nfs/dbraw/zinc/01/39/10/212013910.db2.gz	PFWYAXMEENKSMR-HZMVEIRTSA-N	0	0	333.340	1.813	40	5		EDBBRN
CC(=O)Nc1nc(C)c(CCCOc2ccc([N+](=O)[O-])cc2)c(=O)[nH]1	ZINC000013597732	441162043	/nfs/dbraw/zinc/16/20/43/441162043.db2.gz	DLWUGTIWCAHGEV-UHFFFAOYSA-N	0	0	346.343	1.957	40	5		EDBBRN
Cc1c(Nc2cc(C3CC3)nc(NCCCO)n2)cccc1[N+](=O)[O-]	ZINC000329035294	444452952	/nfs/dbraw/zinc/45/29/52/444452952.db2.gz	RCKFINUVAZEIGR-UHFFFAOYSA-N	0	0	343.387	1.952	40	5		EDBBRN
C[C@H](CO)Nc1nc(NCc2ccccc2[N+](=O)[O-])cc(C2CC2)[nH+]1	ZINC000329068965	444464090	/nfs/dbraw/zinc/46/40/90/444464090.db2.gz	YSYWVIDFLDMXIC-LLVKDONJSA-N	0	0	343.387	1.511	40	5		EDBBRN
CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCS(=O)(=O)C1	ZINC000575421403	447858095	/nfs/dbraw/zinc/85/80/95/447858095.db2.gz	QILKTJUDWNJGRJ-OAHLLOKOSA-N	0	0	341.433	1.146	40	5		EDBBRN
CCOC(=O)[C@@H](NC(C)=O)[C@@H](OC(C)=O)c1cccc([N+](=O)[O-])c1	ZINC000004719013	210257329	/nfs/dbraw/zinc/25/73/29/210257329.db2.gz	QGECBIULUSFBRH-KBPBESRZSA-N	0	0	338.316	1.267	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O	ZINC000037100411	213133152	/nfs/dbraw/zinc/13/31/52/213133152.db2.gz	XZYXEKPCYGPFRB-GUTXKFCHSA-N	0	0	346.387	1.631	40	5		EDBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O	ZINC000010153611	211150080	/nfs/dbraw/zinc/15/00/80/211150080.db2.gz	MNHOCVARTNGIOQ-KKUMJFAQSA-N	0	0	346.387	1.631	40	5		EDBBRN
CC(=O)Oc1c(N)c([N+](=O)[O-])ccc1C(OC(C)=O)OC(C)=O	ZINC000004824479	210289585	/nfs/dbraw/zinc/28/95/85/210289585.db2.gz	LSNQDEABHUBFSS-UHFFFAOYSA-N	0	0	326.261	1.227	40	5		EDBBRN
CC[C@@H](C)NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O	ZINC000010335350	441112849	/nfs/dbraw/zinc/11/28/49/441112849.db2.gz	CZJRUWQJMDDBJB-LLVKDONJSA-N	0	0	343.405	1.584	40	5		EDBBRN
CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000409024907	447681160	/nfs/dbraw/zinc/68/11/60/447681160.db2.gz	IZLYPVGCTPEFNX-UHFFFAOYSA-N	0	0	349.368	2.000	40	5		EDBBRN
Cc1cc([N+](=O)[O-])ccc1-n1c(C)cc2c(cnc3ncnn32)c1=O	ZINC000038784001	441616565	/nfs/dbraw/zinc/61/65/65/441616565.db2.gz	MOFCBSCVZAMGJM-UHFFFAOYSA-N	0	0	336.311	1.953	40	5		EDBBRN
CCN(CC)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409028975	447681094	/nfs/dbraw/zinc/68/10/94/447681094.db2.gz	WBHQNYVJBVUDOP-UHFFFAOYSA-N	0	0	329.378	1.229	40	5		EDBBRN
CCCn1nnc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)n1	ZINC000032118575	212791251	/nfs/dbraw/zinc/79/12/51/212791251.db2.gz	RPYFVNHTSUNNNU-UHFFFAOYSA-N	0	0	335.349	1.118	40	5		EDBBRN
C[C@H]1C[C@H](NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(C)C(=S)N1	ZINC000009057285	211035495	/nfs/dbraw/zinc/03/54/95/211035495.db2.gz	AEZDMTCWEFEYIV-WRWORJQWSA-N	0	0	340.365	1.344	40	5		EDBBRN
CCC(=O)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1	ZINC000070461865	441112562	/nfs/dbraw/zinc/11/25/62/441112562.db2.gz	PIACJZOVTQOTQB-UHFFFAOYSA-N	0	0	330.348	1.234	40	5		EDBBRN
O=C(NCCO)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000002274770	209837057	/nfs/dbraw/zinc/83/70/57/209837057.db2.gz	YOVFQAQXVIEJOL-RAXLEYEMSA-N	0	0	345.311	1.067	40	5		EDBBRN
Cc1nc2n(n1)C[C@H](CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C(=O)N2	ZINC000040386837	213295815	/nfs/dbraw/zinc/29/58/15/213295815.db2.gz	ANSRLBXCPQCPCV-JTQLQIEISA-N	0	0	344.331	1.400	40	5		EDBBRN
O=c1[nH]n(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)c2cccnc12	ZINC000016430830	280392384	/nfs/dbraw/zinc/39/23/84/280392384.db2.gz	LCVCVLRYTPQCJC-UHFFFAOYSA-N	0	0	329.228	1.303	40	5		EDBBRN
CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H](N)[C@H]2SC1	ZINC000039333392	441617764	/nfs/dbraw/zinc/61/77/64/441617764.db2.gz	ABTUPEBOWRKQLD-SMDDNHRTSA-N	0	0	349.368	1.154	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1N[C@@H]2CCCC[C@H]2NC1=O	ZINC000250927634	443013561	/nfs/dbraw/zinc/01/35/61/443013561.db2.gz	XZYXEKPCYGPFRB-NFAWXSAZSA-N	0	0	346.387	1.631	40	5		EDBBRN
O=[N+]([O-])c1ccc(Nc2cc(C(F)(F)F)nc(NCCO)n2)cc1	ZINC000328981594	444433562	/nfs/dbraw/zinc/43/35/62/444433562.db2.gz	GUOSPMQXHKVHQI-UHFFFAOYSA-N	0	0	343.265	2.551	40	5		EDBBRN
CC[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000409028814	447682019	/nfs/dbraw/zinc/68/20/19/447682019.db2.gz	TXZWLUMLAJVODU-JTQLQIEISA-N	0	0	329.378	1.276	40	5		EDBBRN
O=C(C[C@@H]1OC[C@H]2CCCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005043758	210373011	/nfs/dbraw/zinc/37/30/11/210373011.db2.gz	KGCMOABSSXQSHW-KGLIPLIRSA-N	0	0	333.344	1.703	40	5		EDBBRN
CNS(=O)(=O)c1cc([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000005390285	440952650	/nfs/dbraw/zinc/95/26/50/440952650.db2.gz	AOPLASFAHDNPCE-UHFFFAOYSA-N	0	0	344.349	1.401	40	5		EDBBRN
O=[N+]([O-])c1cccc(C2=NON(c3ncccn3)[C@H]3N=CC=CN23)c1	ZINC000006511837	440995736	/nfs/dbraw/zinc/99/57/36/440995736.db2.gz	VTEZOVCJSWMIII-HNNXBMFYSA-N	0	0	337.299	1.682	40	5		EDBBRN
O=c1[nH]c2c(s1)[C@H]1c3cc([N+](=O)[O-])ccc3O[C@@H](O)[C@H]1CS2	ZINC000032597836	275042418	/nfs/dbraw/zinc/04/24/18/275042418.db2.gz	RJEFWXGTPVRTJC-QOSJWCAFSA-N	0	0	338.366	1.909	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1O	ZINC000013608514	441161819	/nfs/dbraw/zinc/16/18/19/441161819.db2.gz	YBMPZSQOUHKXJD-CHWSQXEVSA-N	0	0	328.390	1.827	40	5		EDBBRN
C[C@@H]1C=CC[C@H]2C(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21	ZINC000136512163	441702813	/nfs/dbraw/zinc/70/28/13/441702813.db2.gz	AXEZYZZUVSGDMP-OASPWFOLSA-N	0	0	329.312	1.437	40	5		EDBBRN
CC(=O)N1CCO[C@]2(CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1	ZINC000096268762	442109505	/nfs/dbraw/zinc/10/95/05/442109505.db2.gz	YPPFCJUJUAYVEY-QGZVFWFLSA-N	0	0	347.371	1.448	40	5		EDBBRN
C[C@@](Br)([C@H](O)c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000096521235	442146688	/nfs/dbraw/zinc/14/66/88/442146688.db2.gz	LYHVSRORMZXJOP-ZJUUUORDSA-N	0	0	338.179	1.784	40	5		EDBBRN
CC(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1	ZINC000006295945	485496726	/nfs/dbraw/zinc/49/67/26/485496726.db2.gz	DJZSHMAVDDPTRQ-UHFFFAOYSA-N	0	0	342.808	1.791	40	5		EDBBRN
C[C@]1(n2c3cc([N+](=O)[O-])ccc3[nH]c2=S)CCS(=O)(=O)C1	ZINC000040166756	213278713	/nfs/dbraw/zinc/27/87/13/213278713.db2.gz	UWSXRJLFIQGWEC-LBPRGKRZSA-N	0	0	327.387	1.767	40	5		EDBBRN
COC(=O)C1=C(C)NC(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C	ZINC000017072223	211953083	/nfs/dbraw/zinc/95/30/83/211953083.db2.gz	DASFICNNUGMOEN-LLVKDONJSA-N	0	0	347.327	1.425	40	5		EDBBRN
CC1=CC[C@@H]2C(=O)N(NC(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1	ZINC000408677932	250307533	/nfs/dbraw/zinc/30/75/33/250307533.db2.gz	CGGRWHNWTIKHAD-QWHCGFSZSA-N	0	0	329.312	1.581	40	5		EDBBRN
O=C(NC[C@@H]1CCCO1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1	ZINC000408642635	250307738	/nfs/dbraw/zinc/30/77/38/250307738.db2.gz	PHPNLCNKDJHUCG-FZMZJTMJSA-N	0	0	333.344	1.243	40	5		EDBBRN
O=[N+]([O-])c1ccccc1S(=O)(=O)n1cnc2c1nc[nH]c2=S	ZINC000016450541	304810440	/nfs/dbraw/zinc/81/04/40/304810440.db2.gz	LNQQQUPODLUGNF-UHFFFAOYSA-N	0	0	337.342	1.260	40	5		EDBBRN
COc1cc([C@@H]2NC(=O)N(C)C(C)=C2[N+](=O)[O-])cc(OC)c1OC	ZINC000003131916	440889691	/nfs/dbraw/zinc/88/96/91/440889691.db2.gz	SPMJNRXLGORBQI-LBPRGKRZSA-N	0	0	337.332	1.917	40	5		EDBBRN
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@H](O)c1ccccc1	ZINC000006852959	441020094	/nfs/dbraw/zinc/02/00/94/441020094.db2.gz	HESJENVBIHQOEH-ABAIWWIYSA-N	0	0	336.369	1.995	40	5		EDBBRN
O=C(C[C@@H]1N[C@H]2CCCC[C@H]2NC1=O)Nc1cccc([N+](=O)[O-])c1	ZINC000059544375	441228491	/nfs/dbraw/zinc/22/84/91/441228491.db2.gz	SHBAFKRNMJNJGT-MJBXVCDLSA-N	0	0	332.360	1.323	40	5		EDBBRN
COc1ccccc1Cn1ccc2nc3ccn(N)c(=O)c3cc2c1=O	ZINC000040398629	213297738	/nfs/dbraw/zinc/29/77/38/213297738.db2.gz	CWKFIFKDEYTYDU-UHFFFAOYSA-N	0	0	348.362	1.482	40	5		EDBBRN
O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O)c1cccc([N+](=O)[O-])c1	ZINC000004134930	295700555	/nfs/dbraw/zinc/70/05/55/295700555.db2.gz	APXOQIDBUCNACD-KGOITJQVSA-N	0	0	327.296	1.047	40	5		EDBBRN
COC(=O)c1cc(OC(=O)c2ccc([N+](=O)[O-])cc2Cl)n(C)n1	ZINC000408555245	250304620	/nfs/dbraw/zinc/30/46/20/250304620.db2.gz	WNKSNYOEOXPNIZ-UHFFFAOYSA-N	0	0	339.691	1.988	40	5		EDBBRN
COc1ccc([N+](=O)[O-])cc1C=Cc1nc(O)c([N+](=O)[O-])c(O)n1	ZINC000409345154	447683779	/nfs/dbraw/zinc/68/37/79/447683779.db2.gz	KMXZRRFHPIOITJ-DJWKRKHSSA-N	0	0	334.244	1.883	40	5		EDBBRN
COC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1	ZINC000008775003	211005039	/nfs/dbraw/zinc/00/50/39/211005039.db2.gz	RQLWPPPBCPDDDH-UHFFFAOYSA-N	0	0	342.373	1.477	40	5		EDBBRN
CN(C)C(=[NH2+])c1[n-]nnc1Sc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005358762	210448333	/nfs/dbraw/zinc/44/83/33/210448333.db2.gz	ZUHMVVJJRAZFGX-UHFFFAOYSA-N	0	0	337.321	1.659	40	5		EDBBRN
CCN1CCN(c2c([N+](=O)[O-])cc(C(=O)OC)cc2[N+](=O)[O-])CC1	ZINC000026508846	276387692	/nfs/dbraw/zinc/38/76/92/276387692.db2.gz	GSUSNTLETBITLV-UHFFFAOYSA-N	0	0	338.320	1.432	40	5		EDBBRN
O=C1c2ccccc2C(=O)N1C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000000033561	440794084	/nfs/dbraw/zinc/79/40/84/440794084.db2.gz	SAYMGIWRNUDWED-GFCCVEGCSA-N	0	0	342.307	1.631	40	5		EDBBRN
CC(C)c1cc(C(N)=O)c(NC(=O)Cn2ccc([N+](=O)[O-])n2)s1	ZINC000002739394	440874199	/nfs/dbraw/zinc/87/41/99/440874199.db2.gz	FPJOATBLMPBLCR-UHFFFAOYSA-N	0	0	337.361	1.714	40	5		EDBBRN
Cc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCCO3)CC2=O)cc1[N+](=O)[O-]	ZINC000007928492	441075628	/nfs/dbraw/zinc/07/56/28/441075628.db2.gz	SNBPOLHMMNKRBC-GXTWGEPZSA-N	0	0	347.371	1.551	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[C@@H]1N[C@H]2CCCC[C@@H]2NC1=O	ZINC000014607366	441186579	/nfs/dbraw/zinc/18/65/79/441186579.db2.gz	XZYXEKPCYGPFRB-YDHLFZDLSA-N	0	0	346.387	1.631	40	5		EDBBRN
CC(C)(C)n1nnnc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000020098367	441261947	/nfs/dbraw/zinc/26/19/47/441261947.db2.gz	PNXRCXNCGDXDPW-UHFFFAOYSA-N	0	0	345.407	1.659	40	5		EDBBRN
O=C(CNC(=O)C(=O)Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1	ZINC000033671972	441597272	/nfs/dbraw/zinc/59/72/72/441597272.db2.gz	JHVJVGOWBNLHDI-UHFFFAOYSA-N	0	0	342.311	1.288	40	5		EDBBRN
COC(=O)[C@H]1C[C@@]2(C(=O)Nc3ccc([N+](=O)[O-])cc32)N2CCC[C@H]12	ZINC000034929114	213000608	/nfs/dbraw/zinc/00/06/08/213000608.db2.gz	INMSNIOAXIMXNT-OWRWGESLSA-N	0	0	331.328	1.400	40	5		EDBBRN
O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nnc(-c3ccco3)n12	ZINC000016957480	441234185	/nfs/dbraw/zinc/23/41/85/441234185.db2.gz	NPLIICNZFUOSIV-WQLSENKSSA-N	0	0	340.320	1.867	40	5		EDBBRN
CC(C)[C@@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000225195650	486831987	/nfs/dbraw/zinc/83/19/87/486831987.db2.gz	WEBNRZONENSFFE-LLVKDONJSA-N	0	0	343.405	1.522	40	5		EDBBRN
[NH3+][C@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000204200773	485521511	/nfs/dbraw/zinc/52/15/11/485521511.db2.gz	XMTCOKGMBIHVBJ-GFCCVEGCSA-N	0	0	325.321	1.403	40	5		EDBBRN
NC(=O)c1ccc(Sc2n[nH]c(C(F)(F)F)n2)c([N+](=O)[O-])c1	ZINC000078406773	217049107	/nfs/dbraw/zinc/04/91/07/217049107.db2.gz	YMWLFNOODAWWOI-UHFFFAOYSA-N	0	0	333.251	1.982	40	5		EDBBRN
CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@@H](N)[C@@H]2SC1	ZINC000039333391	441617626	/nfs/dbraw/zinc/61/76/26/441617626.db2.gz	ABTUPEBOWRKQLD-RISCZKNCSA-N	0	0	349.368	1.154	40	5		EDBBRN
CCOC(=O)[C@H]1CC(=O)N(CCNc2ccc([N+](=O)[O-])cc2C)C1	ZINC000045958632	213769849	/nfs/dbraw/zinc/76/98/49/213769849.db2.gz	MKRPVOMTDIANLE-LBPRGKRZSA-N	0	0	335.360	1.727	40	5		EDBBRN
CC1=C(C(=O)OCc2ccc([N+](=O)[O-])cc2)N2C(=O)[C@H](N)[C@@H]2SC1	ZINC000038612070	213218132	/nfs/dbraw/zinc/21/81/32/213218132.db2.gz	ABTUPEBOWRKQLD-FZMZJTMJSA-N	0	0	349.368	1.154	40	5		EDBBRN
O=[N+]([O-])c1ccccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1CCO	ZINC000068561841	296516495	/nfs/dbraw/zinc/51/64/95/296516495.db2.gz	QYEUKFYGAOXFQF-HUUCEWRRSA-N	0	0	344.396	1.955	40	5		EDBBRN
COc1ccc(-n2ccc3nc4ccn(N)c(=O)c4cc3c2=O)cc1	ZINC000040398602	277866429	/nfs/dbraw/zinc/86/64/29/277866429.db2.gz	XZFDGQGZIRKXFN-UHFFFAOYSA-N	0	0	334.335	1.423	40	5		EDBBRN
COC(=O)C1=C(C)NC(=O)C[C@@H]1C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	ZINC000017072218	441237168	/nfs/dbraw/zinc/23/71/68/441237168.db2.gz	LWLVWUJOVQFQBG-NSHDSACASA-N	0	0	347.327	1.425	40	5		EDBBRN
C[C@]1(c2cccc([N+](=O)[O-])c2)NNC(=O)[C@@H]1NC(=O)c1ccccc1	ZINC000034195299	441599566	/nfs/dbraw/zinc/59/95/66/441599566.db2.gz	ZMJDTEUTNPAWEB-WMLDXEAASA-N	0	0	340.339	1.243	40	5		EDBBRN
Nc1nc2nc[nH]c2c(Sc2ccc([N+](=O)[O-])c3nonc32)n1	ZINC000003954595	210096300	/nfs/dbraw/zinc/09/63/00/210096300.db2.gz	NPXXCZXQTLRXTP-UHFFFAOYSA-N	0	0	330.289	1.531	40	5	in-vitro	EDBBRN
CCOC(=O)c1cc(C(C)=O)nn(-c2cccc([N+](=O)[O-])c2)c1=O	ZINC000225967754	242081759	/nfs/dbraw/zinc/08/17/59/242081759.db2.gz	LUHCOVOIICAGRJ-UHFFFAOYSA-N	0	0	331.284	1.520	40	5		EDBBRN
COC(=O)[C@](O)(CC(=O)Nc1cccc([N+](=O)[O-])c1)C(F)(F)F	ZINC000004893694	210315257	/nfs/dbraw/zinc/31/52/57/210315257.db2.gz	WSIPXCXKHROSLD-LLVKDONJSA-N	0	0	336.222	1.390	40	5		EDBBRN
CC(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccccc3[N+](=O)[O-])C2)C1	ZINC000096268763	442109776	/nfs/dbraw/zinc/10/97/76/442109776.db2.gz	YPPFCJUJUAYVEY-KRWDZBQOSA-N	0	0	347.371	1.448	40	5		EDBBRN
CCOC(=O)C1=C(C)N(N)C(=S)N[C@H]1c1ccc([N+](=O)[O-])o1	ZINC000408732362	447679284	/nfs/dbraw/zinc/67/92/84/447679284.db2.gz	VEMBKIXKMQEXKZ-JTQLQIEISA-N	0	0	326.334	1.130	40	5		EDBBRN
COC(=O)C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCCCC1	ZINC000004653659	210238176	/nfs/dbraw/zinc/23/81/76/210238176.db2.gz	SQULSHATMUATPX-AWEZNQCLSA-N	0	0	335.360	1.951	40	5		EDBBRN
CC(=O)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(C)=O)C(=O)C[C@@]1(C)O	ZINC000101620260	219146962	/nfs/dbraw/zinc/14/69/62/219146962.db2.gz	PFWYAXMEENKSMR-YLFCFFPRSA-N	0	0	333.340	1.813	40	5		EDBBRN
CC(C)(C)OC(=O)NCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408998118	447681285	/nfs/dbraw/zinc/68/12/85/447681285.db2.gz	KEQLKUXRCAWCMW-UHFFFAOYSA-N	0	0	338.316	1.845	40	5		EDBBRN
CCc1nnc2[nH]c(-c3cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c3)nn12	ZINC000408974250	447681302	/nfs/dbraw/zinc/68/13/02/447681302.db2.gz	XYURBWIKNMEHAA-UHFFFAOYSA-N	0	0	333.264	1.507	40	5		EDBBRN
NC(=O)c1cc([N+](=O)[O-])ccc1Sc1n[nH]c(C(F)(F)F)n1	ZINC000078406795	217049271	/nfs/dbraw/zinc/04/92/71/217049271.db2.gz	CKQTUDZIBXWULH-UHFFFAOYSA-N	0	0	333.251	1.982	40	5		EDBBRN
Cc1nn(C(=O)c2c(Br)cnn2C)c(C)c1[N+](=O)[O-]	ZINC000000484070	282251971	/nfs/dbraw/zinc/25/19/71/282251971.db2.gz	MLTWYKGXLXHRTH-UHFFFAOYSA-N	0	0	328.126	1.593	40	5		EDBBRN
Cc1nc2n(n1)C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)C(=O)N2	ZINC000040386828	213295963	/nfs/dbraw/zinc/29/59/63/213295963.db2.gz	VVDKZGKTAJWNQV-VIFPVBQESA-N	0	0	330.304	1.092	40	5		EDBBRN
Cc1ccc(NC(=O)C[C@@H]2Cn3ncnc3NC2=O)cc1[N+](=O)[O-]	ZINC000040386641	213295879	/nfs/dbraw/zinc/29/58/79/213295879.db2.gz	HHBXEFDGURGWAG-SECBINFHSA-N	0	0	330.304	1.092	40	5		EDBBRN
CCOC(=O)[C@@H](Cc1ccccc1)NC(=O)c1[nH]cnc1[N+](=O)[O-]	ZINC000006265587	440985994	/nfs/dbraw/zinc/98/59/94/440985994.db2.gz	QQXNWGBZNQLWBB-LLVKDONJSA-N	0	0	332.316	1.222	40	5		EDBBRN
NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	ZINC000019169323	441255786	/nfs/dbraw/zinc/25/57/86/441255786.db2.gz	WSEKRNLUIPGUKU-UHFFFAOYSA-N	0	0	349.368	1.814	40	5		EDBBRN
CN1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@H]2CS(=O)(=O)C[C@@H]21	ZINC000032508686	441559341	/nfs/dbraw/zinc/55/93/41/441559341.db2.gz	XYEZYMYANUKWLI-RYUDHWBXSA-N	0	0	341.414	1.295	40	5		EDBBRN
O=C(NCCO)/C(=C\c1ccc([N+](=O)[O-])o1)NC(=O)c1ccccc1	ZINC000004611510	210232132	/nfs/dbraw/zinc/23/21/32/210232132.db2.gz	CHWGHCIHZVEDTD-JLHYYAGUSA-N	0	0	345.311	1.067	40	5		EDBBRN
C[C@H]1C[C@@H](NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])N(C)C(=S)N1	ZINC000009057287	211036392	/nfs/dbraw/zinc/03/63/92/211036392.db2.gz	AEZDMTCWEFEYIV-CPCISQLKSA-N	0	0	340.365	1.344	40	5		EDBBRN
C[C@H](CNC(=O)c1nonc1N)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005532364	210484071	/nfs/dbraw/zinc/48/40/71/210484071.db2.gz	UJXLRMSQBJFJMJ-ZCFIWIBFSA-N	0	0	340.727	1.444	40	5		EDBBRN
O=C(Cn1nc2ccccc2n1)OCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000367978	440815986	/nfs/dbraw/zinc/81/59/86/440815986.db2.gz	OISWCVLMKVAIMA-UHFFFAOYSA-N	0	0	340.295	1.766	40	5		EDBBRN
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2)c1ccc([N+](=O)[O-])cc1	ZINC000007939492	441075376	/nfs/dbraw/zinc/07/53/76/441075376.db2.gz	FHDULSQUIZSZAW-RJYVHDGYSA-N	0	0	345.307	1.518	40	5		EDBBRN
CCOc1ccc(C(=O)Nn2c(C)nnc2SC)cc1[N+](=O)[O-]	ZINC000006657144	441004215	/nfs/dbraw/zinc/00/42/15/441004215.db2.gz	UZYDMBUPQBLWNX-UHFFFAOYSA-N	0	0	337.361	1.999	40	5		EDBBRN
Cc1n[nH]c(=O)c2c1[C@H](c1ccccc1[N+](=O)[O-])n1nnnc1N2	ZINC000010298449	441112510	/nfs/dbraw/zinc/11/25/10/441112510.db2.gz	RYBVDPWLLUTBLV-NSHDSACASA-N	0	0	326.276	1.080	40	5		EDBBRN
Cc1c(Nc2cc(C3CC3)nc(N[C@@H](C)CO)n2)cccc1[N+](=O)[O-]	ZINC000329023555	444449034	/nfs/dbraw/zinc/44/90/34/444449034.db2.gz	OUXCNWQDLAUJLI-JTQLQIEISA-N	0	0	343.387	1.951	40	5		EDBBRN
O=C(Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1)NC1CCCCC1	ZINC000000422696	440820658	/nfs/dbraw/zinc/82/06/58/440820658.db2.gz	LYSSJPZCAFSMID-UHFFFAOYSA-N	0	0	330.348	1.697	40	5		EDBBRN
CN1C(SCc2ccc([N+](=O)[O-])cc2)=N[C@H]2CS(=O)(=O)C[C@H]21	ZINC000032508685	202226530	/nfs/dbraw/zinc/22/65/30/202226530.db2.gz	XYEZYMYANUKWLI-NWDGAFQWSA-N	0	0	341.414	1.295	40	5		EDBBRN
O=c1[nH]cc(Nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c(=O)[nH]1	ZINC000104137331	275033902	/nfs/dbraw/zinc/03/39/02/275033902.db2.gz	SOWMPOVGUVAIIQ-UHFFFAOYSA-N	0	0	338.192	1.356	40	5		EDBBRN
CC1CCN(C(=O)Cn2nnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC000000422687	440820086	/nfs/dbraw/zinc/82/00/86/440820086.db2.gz	BIQVUUUAAIGQJJ-UHFFFAOYSA-N	0	0	330.348	1.507	40	5		EDBBRN
C[C@@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000010041256	441109473	/nfs/dbraw/zinc/10/94/73/441109473.db2.gz	SQKVFMQXUVLKQK-LLVKDONJSA-N	0	0	349.368	1.900	40	5		EDBBRN
CC(=O)N1CCO[C@@]2(CCCN(Cc3ccccc3[N+](=O)[O-])C2)C1	ZINC000063527682	441335275	/nfs/dbraw/zinc/33/52/75/441335275.db2.gz	AINBINXLLDLQQI-QGZVFWFLSA-N	0	0	333.388	1.808	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1-n1c(C)cc2c(cnc3ncnn32)c1=O	ZINC000038783973	441616205	/nfs/dbraw/zinc/61/62/05/441616205.db2.gz	ZSSXFZNUXXHUQN-UHFFFAOYSA-N	0	0	336.311	1.953	40	5		EDBBRN
CC(C)[C@H](C)NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000225195690	486831674	/nfs/dbraw/zinc/83/16/74/486831674.db2.gz	WEBNRZONENSFFE-NSHDSACASA-N	0	0	343.405	1.522	40	5		EDBBRN
CCOC(=O)C1=C(C)N(N)C(=S)N[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000408732363	257890523	/nfs/dbraw/zinc/89/05/23/257890523.db2.gz	VEMBKIXKMQEXKZ-SNVBAGLBSA-N	0	0	326.334	1.130	40	5		EDBBRN
COc1ccc(Nc2cc(C3CC3)nc(NCCO)n2)c([N+](=O)[O-])c1	ZINC000329070197	257901150	/nfs/dbraw/zinc/90/11/50/257901150.db2.gz	ZEPZXRIRXGZKLB-UHFFFAOYSA-N	0	0	345.359	1.262	40	5		EDBBRN
C=Cn1nnc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1	ZINC000010119625	441110294	/nfs/dbraw/zinc/11/02/94/441110294.db2.gz	YTMYLQTVXRVROE-UHFFFAOYSA-N	0	0	329.320	1.534	40	5		EDBBRN
Cc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C)(C)C)S(C)(=O)=O	ZINC000010359004	500979422	/nfs/dbraw/zinc/97/94/22/500979422.db2.gz	UVVSLHWYWCXERE-UHFFFAOYSA-N	0	0	343.405	1.584	40	5		EDBBRN
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnc(C(F)F)n1N	ZINC000216904719	241221100	/nfs/dbraw/zinc/22/11/00/241221100.db2.gz	WCNZEYGZPKDIJX-UHFFFAOYSA-N	0	0	345.287	1.776	40	5		EDBBRN
CN(C)n1ccc2nc3ccn(Cc4ccccc4)c(=O)c3cc2c1=O	ZINC000040398667	276817384	/nfs/dbraw/zinc/81/73/84/276817384.db2.gz	KAXQBDMLJVQUOS-UHFFFAOYSA-N	0	0	346.390	1.957	40	5		EDBBRN
Cc1n[nH]c(=O)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)n1nnnc1N2	ZINC000010298427	441112620	/nfs/dbraw/zinc/11/26/20/441112620.db2.gz	RWMSCHULXITQRF-LLVKDONJSA-N	0	0	326.276	1.080	40	5		EDBBRN
O=C(CSCc1ccc([N+](=O)[O-])cc1)NCCN1CCOCC1	ZINC000020242086	441262925	/nfs/dbraw/zinc/26/29/25/441262925.db2.gz	IGDZAHTUQNAMQJ-UHFFFAOYSA-N	0	0	339.417	1.276	40	5		EDBBRN
O=C(C[C@H]1OC[C@H]2CCCCN2C1=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005043757	201635814	/nfs/dbraw/zinc/63/58/14/201635814.db2.gz	KGCMOABSSXQSHW-ZIAGYGMSSA-N	0	0	333.344	1.703	40	5		EDBBRN
CCCC(=O)N1CCN(c2ccc(-n3cnnc3)cc2[N+](=O)[O-])CC1	ZINC000070461866	203078606	/nfs/dbraw/zinc/07/86/06/203078606.db2.gz	AAHQCVJVOLNPHL-UHFFFAOYSA-N	0	0	344.375	1.624	40	5		EDBBRN
Cc1ccc(C(=O)N[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000002792617	440877269	/nfs/dbraw/zinc/87/72/69/440877269.db2.gz	NBSQNHNKCJLODZ-CVEARBPZSA-N	0	0	330.340	1.728	40	5		EDBBRN
[NH3+][C@@H](CSCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)[O-]	ZINC000017061258	441235376	/nfs/dbraw/zinc/23/53/76/441235376.db2.gz	JGLSGIMDHOAABX-QMMMGPOBSA-N	0	0	330.322	1.060	40	5		EDBBRN
Cc1ccc(Cn2ccc3nc4ccn(N)c(=O)c4cc3c2=O)cc1	ZINC000040398626	441621026	/nfs/dbraw/zinc/62/10/26/441621026.db2.gz	TTYNABCSFVUNFK-UHFFFAOYSA-N	0	0	332.363	1.782	40	5		EDBBRN
COC(=O)COc1ccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)cc1	ZINC000409328670	447683549	/nfs/dbraw/zinc/68/35/49/447683549.db2.gz	ZRXJWMVSMQYLAV-QPJJXVBHSA-N	0	0	347.283	1.518	40	5		EDBBRN
O=C(OCCN1CCOCC1)c1cc2cc([N+](=O)[O-])ccc2oc1=O	ZINC000027529560	202156303	/nfs/dbraw/zinc/15/63/03/202156303.db2.gz	ZUWAFMOPGPGPRB-UHFFFAOYSA-N	0	0	348.311	1.190	40	5		EDBBRN
COc1cc([N+](=O)[O-])c2nc([C@@H](O)C[N+](=O)[O-])ccc2c1[N+](=O)[O-]	ZINC000104196374	204100167	/nfs/dbraw/zinc/10/01/67/204100167.db2.gz	KDENQOHSRKPHQN-VIFPVBQESA-N	0	0	338.232	1.370	40	5		EDBBRN
C[C@H]1CCCC[C@@H]1NC(=O)Cn1nnc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000000422699	440821278	/nfs/dbraw/zinc/82/12/78/440821278.db2.gz	MZOIUOBTOWBTIU-FZMZJTMJSA-N	0	0	344.375	1.943	40	5		EDBBRN
CC(C)CCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	ZINC000006325723	440986937	/nfs/dbraw/zinc/98/69/37/440986937.db2.gz	OUFDTXKCBURRRD-UHFFFAOYSA-N	0	0	343.405	1.523	40	5		EDBBRN
CC(=O)NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000021596145	441272097	/nfs/dbraw/zinc/27/20/97/441272097.db2.gz	IVKUZATUWCILLV-UHFFFAOYSA-N	0	0	342.808	1.791	40	5		EDBBRN
COC(=O)COc1cccc(C=Cc2nc(O)c([N+](=O)[O-])c(O)n2)c1	ZINC000408604015	250306258	/nfs/dbraw/zinc/30/62/58/250306258.db2.gz	IBYZZSPIUOQXCQ-AATRIKPKSA-N	0	0	347.283	1.518	40	5		EDBBRN
COCCn1ccc2nc3ccn(-c4ccncc4)c(=O)c3cc2c1=O	ZINC000038828982	441616604	/nfs/dbraw/zinc/61/66/04/441616604.db2.gz	JTUGGIGZKIZBDV-UHFFFAOYSA-N	0	0	348.362	1.742	40	5		EDBBRN
CC[C@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(N)=O	ZINC000004520318	210212429	/nfs/dbraw/zinc/21/24/29/210212429.db2.gz	YGTVLXNEYMUFGC-JTQLQIEISA-N	0	0	325.372	1.860	40	5		EDBBRN
O=c1[nH]c2c(s1)[C@@H]1c3cc([N+](=O)[O-])ccc3O[C@@H](O)[C@H]1CS2	ZINC000032597832	285197992	/nfs/dbraw/zinc/19/79/92/285197992.db2.gz	RJEFWXGTPVRTJC-LPBBDHJYSA-N	0	0	338.366	1.909	40	5		EDBBRN
O=C([O-])[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]Cc1ccccn1	ZINC000004189778	440912536	/nfs/dbraw/zinc/91/25/36/440912536.db2.gz	QIHNGUDTPVSWSN-AWEZNQCLSA-N	0	0	344.327	1.561	40	5		EDBBRN
CNS(=O)(=O)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1	ZINC000015389802	441202283	/nfs/dbraw/zinc/20/22/83/441202283.db2.gz	WVJXXNMOEDIEJS-UHFFFAOYSA-N	0	0	335.341	1.755	40	5		EDBBRN
O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCC(=O)N1	ZINC000408738161	447679691	/nfs/dbraw/zinc/67/96/91/447679691.db2.gz	QCCZGNKIEUDJHK-JTQLQIEISA-N	0	0	332.341	1.935	40	5		EDBBRN
CC(C)Cn1nnc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)n1	ZINC000021596165	212233477	/nfs/dbraw/zinc/23/34/77/212233477.db2.gz	SRVWLWMYOFPAPQ-UHFFFAOYSA-N	0	0	349.376	1.364	40	5		EDBBRN
CC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(C)=O)[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000033921895	275500150	/nfs/dbraw/zinc/50/01/50/275500150.db2.gz	BETKGCRBPSJYRL-QAETUUGQSA-N	0	0	333.340	1.813	40	5		EDBBRN
C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)NC(=O)c1nonc1N	ZINC000005005560	440933003	/nfs/dbraw/zinc/93/30/03/440933003.db2.gz	YPXNDENAGZKLFI-ZCFIWIBFSA-N	0	0	340.727	1.444	40	5		EDBBRN
CCS(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000010302436	441112241	/nfs/dbraw/zinc/11/22/41/441112241.db2.gz	DCHNLLXWGVNFKN-NSHDSACASA-N	0	0	341.389	1.595	40	5		EDBBRN
Cn1c(SCCN2CCOCC2)nnc1-c1ccc([N+](=O)[O-])cc1	ZINC000019289292	212011522	/nfs/dbraw/zinc/01/15/22/212011522.db2.gz	PIBURYGLJSHSPS-UHFFFAOYSA-N	0	0	349.416	1.815	40	5		EDBBRN
Cc1nnc(Sc2ccc(C(=O)OC(C)C)cc2[N+](=O)[O-])n1N	ZINC000070462340	441112810	/nfs/dbraw/zinc/11/28/10/441112810.db2.gz	XWCQHDDVTHQBEJ-UHFFFAOYSA-N	0	0	337.361	1.925	40	5		EDBBRN
O=C(COC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@@H]1[C@H]3C2)c1cccc([N+](=O)[O-])c1	ZINC000036511932	441607094	/nfs/dbraw/zinc/60/70/94/441607094.db2.gz	MWAOTKFBTXGGEB-ALTYAODHSA-N	0	0	345.307	1.518	40	5		EDBBRN
CCn1nnc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)n1	ZINC000057316418	214417838	/nfs/dbraw/zinc/41/78/38/214417838.db2.gz	XFFKUZGKBUDXKU-UHFFFAOYSA-N	0	0	335.349	1.036	40	5		EDBBRN
COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc([N+](=O)[O-])o2)C1=O	ZINC000409100648	250309142	/nfs/dbraw/zinc/30/91/42/250309142.db2.gz	RGLGHCQRNFYYJX-URNIURQGSA-N	0	0	326.286	1.786	40	5		EDBBRN
COC(=O)[C@@H]1[C@H]2CC(=O)[C@H](c3cccc([N+](=O)[O-])c32)[C@@H]1C(=O)OC	ZINC000004828023	257868422	/nfs/dbraw/zinc/86/84/22/257868422.db2.gz	KDQBUWYUZUHUGY-IOEYQFCTSA-N	0	0	333.296	1.327	40	5		EDBBRN
CNc1nc(NCc2cccc([N+](=O)[O-])c2)cc(C(F)(F)F)n1	ZINC000328967295	257909250	/nfs/dbraw/zinc/90/92/50/257909250.db2.gz	CTJJSZIHTFKUSV-UHFFFAOYSA-N	0	0	327.266	1.901	40	5		EDBBRN
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[C@@H]1N[C@@H]2CCCC[C@@H]2NC1=O	ZINC000014607368	441186572	/nfs/dbraw/zinc/18/65/72/441186572.db2.gz	MNHOCVARTNGIOQ-ILXRZTDVSA-N	0	0	346.387	1.631	40	5		EDBBRN
CCCc1nc(CNC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)no1	ZINC000033525277	441596023	/nfs/dbraw/zinc/59/60/23/441596023.db2.gz	DBCOBSCTBGDXBW-UHFFFAOYSA-N	0	0	335.276	1.769	40	5		EDBBRN
COc1cc(/C=C2/C(=O)N(C)C(=S)N2C)c([N+](=O)[O-])cc1OC	ZINC000409044674	447682626	/nfs/dbraw/zinc/68/26/26/447682626.db2.gz	HHMLIWJHUDUPQO-YHYXMXQVSA-N	0	0	337.357	1.642	40	5		EDBBRN
CN(C)CCN(Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCS(=O)(=O)C1	ZINC000575421400	447858041	/nfs/dbraw/zinc/85/80/41/447858041.db2.gz	QILKTJUDWNJGRJ-HNNXBMFYSA-N	0	0	341.433	1.146	40	5		EDBBRN
CCOC(=O)[C@H](NC(C)=O)[C@H](OC(C)=O)c1cccc([N+](=O)[O-])c1	ZINC000004719009	210258143	/nfs/dbraw/zinc/25/81/43/210258143.db2.gz	QGECBIULUSFBRH-ZIAGYGMSSA-N	0	0	338.316	1.267	40	5		EDBBRN
O=c1[nH]c2c(s1)[C@@H]1c3cc([N+](=O)[O-])ccc3O[C@@H](O)[C@@H]1CS2	ZINC000035053058	280386787	/nfs/dbraw/zinc/38/67/87/280386787.db2.gz	RJEFWXGTPVRTJC-JWKOBGCHSA-N	0	0	338.366	1.909	40	5		EDBBRN
C[C@@H]1CCc2c(sc(NC(=O)c3n[nH]cc3[N+](=O)[O-])c2C(N)=O)C1	ZINC000005640248	440963771	/nfs/dbraw/zinc/96/37/71/440963771.db2.gz	XJDGSFLRVGXIDA-ZCFIWIBFSA-N	0	0	349.372	1.855	40	5		EDBBRN
CCCn1nnc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])c(C)c2)n1	ZINC000032118712	441546480	/nfs/dbraw/zinc/54/64/80/441546480.db2.gz	RMHURONMUALDQZ-UHFFFAOYSA-N	0	0	349.376	1.427	40	5		EDBBRN
C[C@@H](CNC(=O)c1nonc1N)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005515607	210479116	/nfs/dbraw/zinc/47/91/16/210479116.db2.gz	UJXLRMSQBJFJMJ-LURJTMIESA-N	0	0	340.727	1.444	40	5		EDBBRN
O=C1CN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c2ccccc2N1	ZINC000038756781	132397376	/nfs/dbraw/zinc/39/73/76/132397376.db2.gz	QLFVUUIZQFUGHQ-UHFFFAOYSA-N	0	0	347.352	1.883	40	5		EDBBRN
NC(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1	ZINC000013633018	295065861	/nfs/dbraw/zinc/06/58/61/295065861.db2.gz	CSZFXLICSRWARN-UHFFFAOYSA-N	0	0	333.392	1.786	40	5		EDBBRN
CCOC(=O)[C@H](Cc1ccccc1)NC(=O)c1[nH]cnc1[N+](=O)[O-]	ZINC000012999136	441151379	/nfs/dbraw/zinc/15/13/79/441151379.db2.gz	QQXNWGBZNQLWBB-NSHDSACASA-N	0	0	332.316	1.222	40	5		EDBBRN
CCOC(=O)[C@@H](NC(C)=O)[C@H](OC(C)=O)c1cccc([N+](=O)[O-])c1	ZINC000004719010	210258088	/nfs/dbraw/zinc/25/80/88/210258088.db2.gz	QGECBIULUSFBRH-UONOGXRCSA-N	0	0	338.316	1.267	40	5		EDBBRN
COCCn1ccc2nc3ccn(-c4cc[nH]n4)c(=O)c3cc2c1=O	ZINC000040399054	213297374	/nfs/dbraw/zinc/29/73/74/213297374.db2.gz	ZVWNXSUQDIEOOL-UHFFFAOYSA-N	0	0	337.339	1.070	40	5		EDBBRN
Cc1nc2n(n1)C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)C(=O)N2	ZINC000040386831	213295885	/nfs/dbraw/zinc/29/58/85/213295885.db2.gz	VLMSBHAZRJMACI-VIFPVBQESA-N	0	0	330.304	1.092	40	5		EDBBRN
O=[N+]([O-])c1cc(Nc2cc(C3CC3)nc(NCCCO)n2)ccc1F	ZINC000329037514	257903962	/nfs/dbraw/zinc/90/39/62/257903962.db2.gz	RNWWDXNUAFYVSX-UHFFFAOYSA-N	0	0	347.350	1.783	40	5		EDBBRN
CC(CO)(CO)N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c32)C1=O	ZINC000005328348	440948665	/nfs/dbraw/zinc/94/86/65/440948665.db2.gz	PIUKHNNBQRAWDN-UHFFFAOYSA-N	0	0	330.296	1.087	40	5		EDBBRN
O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCC(=O)N1	ZINC000070718387	441116420	/nfs/dbraw/zinc/11/64/20/441116420.db2.gz	DUFSVYPMTLZWTA-SNVBAGLBSA-N	0	0	332.341	1.935	40	5		EDBBRN
CN(C)n1ccc2nc3ccn(Cc4ccco4)c(=O)c3cc2c1=O	ZINC000040398670	282335426	/nfs/dbraw/zinc/33/54/26/282335426.db2.gz	YAMXMDZFSBMVFR-UHFFFAOYSA-N	0	0	336.351	1.550	40	5		EDBBRN
O=C(NC[C@@H]1CCCO1)c1ccn(COc2ccccc2[N+](=O)[O-])n1	ZINC000002805243	209919571	/nfs/dbraw/zinc/91/95/71/209919571.db2.gz	GRKCKZHJESROBY-LBPRGKRZSA-N	0	0	346.343	1.737	40	5		EDBBRN
COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@]2(C)C=C[C@@H]3O2)c([N+](=O)[O-])c1	ZINC000222311182	286324675	/nfs/dbraw/zinc/32/46/75/286324675.db2.gz	JZWIDVBSRXHVQQ-WFGGJUAMSA-N	0	0	330.296	1.436	40	5		EDBBRN
O=[N+]([O-])c1cc(S(=O)(=O)NCCc2c[nH]cn2)ccc1Cl	ZINC000005728846	440966499	/nfs/dbraw/zinc/96/64/99/440966499.db2.gz	DVIZEMVGMHWAFQ-UHFFFAOYSA-N	0	0	330.753	1.492	40	5		EDBBRN