smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1ccc(NCCNCCO)c2ncccc12	ZINC000004045572	375853159	/nfs/dbraw/zinc/85/31/59/375853159.db2.gz	BXHJGTQQLRRSJI-UHFFFAOYSA-N	0	3	276.296	1.137	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N1	ZINC000002788607	296326139	/nfs/dbraw/zinc/32/61/39/296326139.db2.gz	HNPKDEDJNOBPTB-KOLCDFICSA-N	0	3	265.225	1.191	50	5		CDBAHN
O=C(NCCN1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000007435766	170284496	/nfs/dbraw/zinc/28/44/96/170284496.db2.gz	FAMJBEHOIIDHSA-UHFFFAOYSA-N	0	3	263.297	1.420	50	5		CDBAHN
COc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c(OC)c1	ZINC000000089601	295227382	/nfs/dbraw/zinc/22/73/82/295227382.db2.gz	BGHATRKYYKUFPI-MFKMUULPSA-N	0	3	280.280	1.300	50	5		CDBAHN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCNCCO	ZINC000004045604	375853026	/nfs/dbraw/zinc/85/30/26/375853026.db2.gz	WGWFIJQRKSWNLJ-UHFFFAOYSA-N	0	3	293.245	1.607	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N1	ZINC000000103388	296325935	/nfs/dbraw/zinc/32/59/35/296325935.db2.gz	FKMJJAMPPJQKFX-PRHODGIISA-N	0	3	264.237	1.012	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCC1	ZINC000004550604	275036676	/nfs/dbraw/zinc/03/66/76/275036676.db2.gz	HAVYTZCTAHRQNI-UHFFFAOYSA-N	0	3	276.340	1.605	50	5		CDBAHN
CN(C)CCOC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000002171128	367854236	/nfs/dbraw/zinc/85/42/36/367854236.db2.gz	CGPVIASPYQJZNV-UHFFFAOYSA-N	0	3	253.258	1.705	50	5		CDBAHN
Cc1nn(C)c2c1C(c1cccc([N+](=O)[O-])c1)=NCCN2	ZINC000028107521	375191941	/nfs/dbraw/zinc/19/19/41/375191941.db2.gz	HSAHLQYQPJCQGX-UHFFFAOYSA-N	0	3	285.307	1.900	50	5		CDBAHN
Cc1c(C(=O)NCCN(C)C)cccc1[N+](=O)[O-]	ZINC000004785017	170017207	/nfs/dbraw/zinc/01/72/07/170017207.db2.gz	OJALNFMIPLBMKK-UHFFFAOYSA-N	0	3	251.286	1.195	50	5		CDBAHN
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1n[nH]cc1[N+](=O)[O-]	ZINC000006413906	170199542	/nfs/dbraw/zinc/19/95/42/170199542.db2.gz	LCDHAYLGEVSYML-UHFFFAOYSA-N	0	3	295.186	1.618	50	5		CDBAHN
CC(C)(C)N[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000100289058	358826416	/nfs/dbraw/zinc/82/64/16/358826416.db2.gz	HILZEJUHMCGOIB-LLVKDONJSA-N	0	3	291.307	1.615	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N1	ZINC000000103378	358808341	/nfs/dbraw/zinc/80/83/41/358808341.db2.gz	FKMJJAMPPJQKFX-UFBFGSQYSA-N	0	3	264.237	1.012	50	5		CDBAHN
O=[N+]([O-])c1ccc(OC[C@H](O)CN2CCCCC2)cc1	ZINC000000032694	285137320	/nfs/dbraw/zinc/13/73/20/285137320.db2.gz	HUKIYIZTJIPXIR-CYBMUJFWSA-N	0	3	280.324	1.820	50	5		CDBAHN
CN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000004749756	170011361	/nfs/dbraw/zinc/01/13/61/170011361.db2.gz	APUPKPHYWRRQGK-UHFFFAOYSA-N	0	3	263.297	1.419	50	5		CDBAHN
CN1CCN(CCCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000004842713	170028880	/nfs/dbraw/zinc/02/88/80/170028880.db2.gz	HBGQDRDKPLOSOW-UHFFFAOYSA-N	0	3	279.340	1.611	50	5		CDBAHN
CCCCNCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004844663	170029387	/nfs/dbraw/zinc/02/93/87/170029387.db2.gz	XOEGNJHJICSFJV-UHFFFAOYSA-N	0	3	251.286	1.923	50	5		CDBAHN
O=[N+]([O-])c1cccc2[n-]c(C[n+]3ccccc3)nc21	ZINC000000384348	359650953	/nfs/dbraw/zinc/65/09/53/359650953.db2.gz	YYKHYAMLOLMVJQ-UHFFFAOYSA-N	0	3	255.257	1.807	50	5		CDBAHN
O=[N+]([O-])c1cccc2nc(C[n+]3ccccc3)[n-]c21	ZINC000000384348	359650955	/nfs/dbraw/zinc/65/09/55/359650955.db2.gz	YYKHYAMLOLMVJQ-UHFFFAOYSA-N	0	3	255.257	1.807	50	5		CDBAHN
NC(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000055292038	374462853	/nfs/dbraw/zinc/46/28/53/374462853.db2.gz	QQDZWCIDUGRUIJ-LLVKDONJSA-N	0	3	263.297	1.292	50	5		CDBAHN
COC[C@@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000097083876	375143831	/nfs/dbraw/zinc/14/38/31/375143831.db2.gz	QJZQVQTXOREBTL-NSHDSACASA-N	0	3	291.307	1.871	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N1	ZINC000000099330	296326000	/nfs/dbraw/zinc/32/60/00/296326000.db2.gz	CALXKFHEBRCNOE-MWLCHTKSSA-N	0	3	254.673	1.936	50	5		CDBAHN
O=[N+]([O-])c1ccccc1OCCNC[C@H]1CCCO1	ZINC000003247118	285164546	/nfs/dbraw/zinc/16/45/46/285164546.db2.gz	FDTQNSRSJOEOLG-LLVKDONJSA-N	0	3	266.297	1.742	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)c2ncccc12	ZINC000003877856	275036569	/nfs/dbraw/zinc/03/65/69/275036569.db2.gz	NOFLBEAANHNPIK-UHFFFAOYSA-N	0	3	258.281	1.553	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NC1CC1	ZINC000004182712	377791786	/nfs/dbraw/zinc/79/17/86/377791786.db2.gz	PLIVQOBEHAUGLU-UHFFFAOYSA-N	0	3	262.313	1.579	50	5		CDBAHN
Cn1cnc([N+](=O)[O-])c1NCCN1CCCCC1	ZINC000004730288	170007096	/nfs/dbraw/zinc/00/70/96/170007096.db2.gz	PVALZSMWAJBNJP-UHFFFAOYSA-N	0	3	253.306	1.226	50	5		CDBAHN
COc1cc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc(OC)c1	ZINC000006412859	170199378	/nfs/dbraw/zinc/19/93/78/170199378.db2.gz	DVNXALRSLJTKTL-UHFFFAOYSA-N	0	3	292.251	1.587	50	5		CDBAHN
COc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1OC	ZINC000000094879	169534179	/nfs/dbraw/zinc/53/41/79/169534179.db2.gz	QQQDHBUWOFWZEF-TVQRCGJNSA-N	0	3	280.280	1.300	50	5		CDBAHN
O=C(CN1CCNCC1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000005093849	170065833	/nfs/dbraw/zinc/06/58/33/170065833.db2.gz	JHATUMHVKJKULS-UHFFFAOYSA-N	0	3	298.730	1.092	50	5		CDBAHN
CCOC(=O)c1ccc(N2CCN[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000015443386	276299509	/nfs/dbraw/zinc/29/95/09/276299509.db2.gz	MORZRCXNYYBTRA-JTQLQIEISA-N	0	3	293.323	1.570	50	5		CDBAHN
COc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090836	295395679	/nfs/dbraw/zinc/39/56/79/295395679.db2.gz	XLHBDHDXTFIGJA-CABZTGNLSA-N	0	3	250.254	1.292	50	5		CDBAHN
COC1(CNCc2cccc([N+](=O)[O-])c2)CCOCC1	ZINC000095431274	357455219	/nfs/dbraw/zinc/45/52/19/357455219.db2.gz	PALWJAIIKCQHIO-UHFFFAOYSA-N	0	3	280.324	1.880	50	5		CDBAHN
Cc1ccc(CN2CCC[C@@H](CC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000093808691	372045720	/nfs/dbraw/zinc/04/57/20/372045720.db2.gz	KGONSXUJRPDFSU-LBPRGKRZSA-N	0	3	291.351	1.991	50	5		CDBAHN
CC(=O)NCCNc1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000097083750	375144182	/nfs/dbraw/zinc/14/41/82/375144182.db2.gz	UUEJGKARFWXQKE-UHFFFAOYSA-N	0	3	288.307	1.999	50	5		CDBAHN
Cc1cc(NCCOCCN(C)C)ccc1[N+](=O)[O-]	ZINC000095997027	185061082	/nfs/dbraw/zinc/06/10/82/185061082.db2.gz	VRYUEDVHEDEFIM-UHFFFAOYSA-N	0	3	267.329	1.893	50	5		CDBAHN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@H]1CCN1CCCC1	ZINC000006473375	170203798	/nfs/dbraw/zinc/20/37/98/170203798.db2.gz	HQXRNXMUDOZDTR-LBPRGKRZSA-N	0	3	291.307	1.780	50	5		CDBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)N2CCCCC2)cc1	ZINC000096027511	351475407	/nfs/dbraw/zinc/47/54/07/351475407.db2.gz	PJWKHFUUONPSEU-KGLIPLIRSA-N	0	3	280.324	1.475	50	5		CDBAHN
CC(C)CN[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000100936634	356958929	/nfs/dbraw/zinc/95/89/29/356958929.db2.gz	QLIZTWBNBAQCDH-LBPRGKRZSA-N	0	3	291.307	1.472	50	5		CDBAHN
CN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000002857206	375349405	/nfs/dbraw/zinc/34/94/05/375349405.db2.gz	NHURYSIPVRSKDO-UHFFFAOYSA-N	0	3	278.312	1.811	50	5		CDBAHN
O=[N+]([O-])c1ccc2nc(N3CCNCC3)sc2c1	ZINC000000242027	285149048	/nfs/dbraw/zinc/14/90/48/285149048.db2.gz	RBZWYLUVTPLLOU-UHFFFAOYSA-N	0	3	264.310	1.614	50	5		CDBAHN
NC(=O)[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000055292037	374463524	/nfs/dbraw/zinc/46/35/24/374463524.db2.gz	QQDZWCIDUGRUIJ-NSHDSACASA-N	0	3	263.297	1.292	50	5		CDBAHN
O=C(O[C@@H]1CN2CCC1CC2)c1cccc([N+](=O)[O-])c1	ZINC000000135977	359133296	/nfs/dbraw/zinc/13/32/96/359133296.db2.gz	RAIALHYEHNJLIA-CYBMUJFWSA-N	0	3	276.292	1.846	50	5		CDBAHN
CN(C)CCNC(=O)c1ccc(F)c([N+](=O)[O-])c1	ZINC000037248054	173060933	/nfs/dbraw/zinc/06/09/33/173060933.db2.gz	PLVWSQMCJYXINF-UHFFFAOYSA-N	0	3	255.249	1.025	50	5		CDBAHN
[NH3+]CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1	ZINC000111832674	365797256	/nfs/dbraw/zinc/79/72/56/365797256.db2.gz	DFMGDRRVJMDCPI-UHFFFAOYSA-N	0	3	299.352	1.145	50	5		CDBAHN
CCOC(=O)c1ccc(N2CCN[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000015443388	356416611	/nfs/dbraw/zinc/41/66/11/356416611.db2.gz	MORZRCXNYYBTRA-SNVBAGLBSA-N	0	3	293.323	1.570	50	5		CDBAHN
COCCNCCOc1ccc(C)cc1[N+](=O)[O-]	ZINC000003000309	169848356	/nfs/dbraw/zinc/84/83/56/169848356.db2.gz	VUZUPIRXIUTTSM-UHFFFAOYSA-N	0	3	254.286	1.518	50	5		CDBAHN
O=C1Nc2ccc([N+](=O)[O-])cc2O[C@@H]1CCN1CCCC1	ZINC000006473374	170203779	/nfs/dbraw/zinc/20/37/79/170203779.db2.gz	HQXRNXMUDOZDTR-GFCCVEGCSA-N	0	3	291.307	1.780	50	5		CDBAHN
O=[N+]([O-])c1ccc(NCCNCCO)c(Cl)c1	ZINC000004587883	356429456	/nfs/dbraw/zinc/42/94/56/356429456.db2.gz	ZDFPMINOGMCWFU-UHFFFAOYSA-N	0	3	259.693	1.242	50	5		CDBAHN
COc1cc(CN[C@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	ZINC000095462191	374959853	/nfs/dbraw/zinc/95/98/53/374959853.db2.gz	ZXJQWCJNXVXWEO-LLVKDONJSA-N	0	3	290.323	1.978	50	5		CDBAHN
CN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	ZINC000097052051	567903709	/nfs/dbraw/zinc/90/37/09/567903709.db2.gz	IMLXAQDSLMXKOE-UHFFFAOYSA-N	0	3	286.719	1.931	50	5		CDBAHN
Cc1csc(NC(=O)c2n[nH]cc2[N+](=O)[O-])n1	ZINC000006413648	170199522	/nfs/dbraw/zinc/19/95/22/170199522.db2.gz	HOTQMLKOYQFXTL-UHFFFAOYSA-N	0	3	253.243	1.335	50	5		CDBAHN
O=[N+]([O-])c1c(N2CCN3CCC[C@H]3C2)nc2ccccn21	ZINC000247309103	357418736	/nfs/dbraw/zinc/41/87/36/357418736.db2.gz	HZIKEQWYTKADBL-NSHDSACASA-N	0	3	287.323	1.527	50	5		CDBAHN
C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[S@@](C)=O	ZINC000095436247	374937674	/nfs/dbraw/zinc/93/76/74/374937674.db2.gz	BCRLWBAEDAPCGP-XYZCENFISA-N	0	3	256.327	1.451	50	5		CDBAHN
COc1c2c(cc3c1[C@H](C(C)[N+](=O)[O-])N(C)CC3)OCO2	ZINC000020410810	393147182	/nfs/dbraw/zinc/14/71/82/393147182.db2.gz	DMFKDBXYGPGBMW-PELKAZGASA-N	0	3	294.307	1.618	50	5	biogenic	CDBAHN
CCOc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090879	276383918	/nfs/dbraw/zinc/38/39/18/276383918.db2.gz	QCTXZKINYPLXNX-MFKMUULPSA-N	0	3	264.281	1.682	50	5		CDBAHN
CCN(CC)c1cc(N2CCNCC2)c([N+](=O)[O-])cc1F	ZINC000004571321	390216721	/nfs/dbraw/zinc/21/67/21/390216721.db2.gz	JVECBELGRWGPAO-UHFFFAOYSA-N	0	3	296.346	1.990	50	5		CDBAHN
CN(C)CCNC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000009385147	170375587	/nfs/dbraw/zinc/37/55/87/170375587.db2.gz	PSOSTTFAVGFJAR-UHFFFAOYSA-N	0	3	252.274	1.278	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cc3c(cc2Cl)OCO3)N1	ZINC000000089575	358394894	/nfs/dbraw/zinc/39/48/94/358394894.db2.gz	ISQNUCJEUYXRGA-PELKAZGASA-N	0	3	298.682	1.665	50	5		CDBAHN
COc1cc(CN[C@@H](C)Cn2cccn2)ccc1[N+](=O)[O-]	ZINC000095462190	374959724	/nfs/dbraw/zinc/95/97/24/374959724.db2.gz	ZXJQWCJNXVXWEO-NSHDSACASA-N	0	3	290.323	1.978	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000002771757	296330487	/nfs/dbraw/zinc/33/04/87/296330487.db2.gz	ARNQGGVJMQDMBG-GZMMTYOYSA-N	0	3	299.670	1.845	50	5		CDBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCC[NH2+]CC1	ZINC000226461371	263025162	/nfs/dbraw/zinc/02/51/62/263025162.db2.gz	FHHZJANUXKSFJB-SNVBAGLBSA-N	0	3	299.352	1.015	50	5		CDBAHN
COc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(C)CC1	ZINC000078578629	177356058	/nfs/dbraw/zinc/35/60/58/177356058.db2.gz	UKSDJZMBQMZWJB-UHFFFAOYSA-N	0	3	293.323	1.884	50	5		CDBAHN
CCOC[C@H](O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000107050078	186156968	/nfs/dbraw/zinc/15/69/68/186156968.db2.gz	HDHLFFMAWCCLML-BXUZGUMPSA-N	0	3	282.340	1.985	50	5		CDBAHN
CN(C)CCNC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000089314333	377822158	/nfs/dbraw/zinc/82/21/58/377822158.db2.gz	NJXUFHDVGIYUSY-UHFFFAOYSA-N	0	3	276.296	1.368	50	5		CDBAHN
CN(C)CC(CN(C)C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000071772747	358846331	/nfs/dbraw/zinc/84/63/31/358846331.db2.gz	IDOQIVCBQMDERR-UHFFFAOYSA-N	0	3	295.339	1.243	50	5		CDBAHN
COc1cccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000122546	169543948	/nfs/dbraw/zinc/54/39/48/169543948.db2.gz	KFYLNOYLFXNMLQ-JQWIXIFHSA-N	0	3	250.254	1.292	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)cc2)N1	ZINC000000099326	280260396	/nfs/dbraw/zinc/26/03/96/280260396.db2.gz	CALXKFHEBRCNOE-GXSJLCMTSA-N	0	3	254.673	1.936	50	5		CDBAHN
C[C@@H](NC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850141	180046191	/nfs/dbraw/zinc/04/61/91/180046191.db2.gz	IUCOROLDKWZBSJ-ZWNOBZJWSA-N	0	3	266.297	1.397	50	5		CDBAHN
O=[N+]([O-])CC1(O)CCN(Cc2ccccc2)CC1	ZINC000072194137	176336920	/nfs/dbraw/zinc/33/69/20/176336920.db2.gz	KROYZEIFJNHYOI-UHFFFAOYSA-N	0	3	250.298	1.290	50	5		CDBAHN
COc1cccc([C@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000122549	359120351	/nfs/dbraw/zinc/12/03/51/359120351.db2.gz	KFYLNOYLFXNMLQ-CMPLNLGQSA-N	0	3	250.254	1.292	50	5		CDBAHN
COC(=O)c1ccc([N+](=O)[O-])cc1NC1CCN(C)CC1	ZINC000521395084	374240825	/nfs/dbraw/zinc/24/08/25/374240825.db2.gz	GNSQHOSSBUWSPD-UHFFFAOYSA-N	0	3	293.323	1.888	50	5		CDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1	ZINC000004321354	356234976	/nfs/dbraw/zinc/23/49/76/356234976.db2.gz	ODAGIQIWCQSUQH-DTORHVGOSA-N	0	3	280.284	1.690	50	5		CDBAHN
NC(=O)[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000055292076	374463392	/nfs/dbraw/zinc/46/33/92/374463392.db2.gz	QHVKVJIMPMTVOI-NSHDSACASA-N	0	3	263.297	1.292	50	5		CDBAHN
CN(C)CCNC(=O)CSc1ccc([N+](=O)[O-])cc1	ZINC000003378729	375671180	/nfs/dbraw/zinc/67/11/80/375671180.db2.gz	AOMBDXIKWAKPSV-UHFFFAOYSA-N	0	3	283.353	1.365	50	5		CDBAHN
CCOc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000090821	358657113	/nfs/dbraw/zinc/65/71/13/358657113.db2.gz	RKKCAGBZQUVVPH-YPMHNXCESA-N	0	3	264.281	1.682	50	5		CDBAHN
CCOc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000111044577	359168379	/nfs/dbraw/zinc/16/83/79/359168379.db2.gz	AFYYDDWMIXLCNV-UHFFFAOYSA-N	0	3	251.286	1.403	50	5		CDBAHN
CC(C)N1CCN(CCCn2cc([N+](=O)[O-])cn2)CC1	ZINC000188293760	357614625	/nfs/dbraw/zinc/61/46/25/357614625.db2.gz	IKFLRDGEWWMYGC-UHFFFAOYSA-N	0	3	281.360	1.207	50	5		CDBAHN
COc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1OC	ZINC000000094876	358669326	/nfs/dbraw/zinc/66/93/26/358669326.db2.gz	QQQDHBUWOFWZEF-ZANVPECISA-N	0	3	280.280	1.300	50	5		CDBAHN
O=[N+]([O-])c1ccccc1C[C@@H](O)CN1CCCCC1	ZINC000027987645	375170502	/nfs/dbraw/zinc/17/05/02/375170502.db2.gz	QNSORKDXNDKKPV-CYBMUJFWSA-N	0	3	264.325	1.984	50	5		CDBAHN
COc1c2c(cc3c1[C@@H](C(C)[N+](=O)[O-])N(C)CC3)OCO2	ZINC000020410813	393147433	/nfs/dbraw/zinc/14/74/33/393147433.db2.gz	DMFKDBXYGPGBMW-PRHODGIISA-N	0	3	294.307	1.618	50	5	biogenic	CDBAHN
CC1([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC[NH2+]CC1	ZINC000229627761	140203937	/nfs/dbraw/zinc/20/39/37/140203937.db2.gz	UTDZGQLLNKDHTA-UHFFFAOYSA-N	0	3	299.352	1.015	50	5		CDBAHN
CN1CCN(CCCSc2ncccc2[N+](=O)[O-])CC1	ZINC000097098638	482456206	/nfs/dbraw/zinc/45/62/06/482456206.db2.gz	SVNKXSAQBNVHDX-UHFFFAOYSA-N	0	3	296.396	1.719	50	5		CDBAHN
[NH3+][C@@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000124981367	344941375	/nfs/dbraw/zinc/94/13/75/344941375.db2.gz	RBTOVHWKCCAALK-NXEZZACHSA-N	0	3	299.352	1.143	50	5		CDBAHN
O=[N+]([O-])c1cccc(CNC[C@]2(CCO)CCOC2)c1	ZINC000089780827	366933678	/nfs/dbraw/zinc/93/36/78/366933678.db2.gz	FYRSKMRURYIKHI-AWEZNQCLSA-N	0	3	280.324	1.474	50	5		CDBAHN
Cc1ccnc(N2CCc3nccc(N)c3C2)c1[N+](=O)[O-]	ZINC000585092098	362011407	/nfs/dbraw/zinc/01/14/07/362011407.db2.gz	FFMZTLMSGPGROB-UHFFFAOYSA-N	0	3	285.307	1.838	50	5		CDBAHN
COc1cc([N+](=O)[O-])ccc1NC(=O)NCCN(C)C	ZINC000017008760	367005882	/nfs/dbraw/zinc/00/58/82/367005882.db2.gz	KSDGGIFNFFKGMO-UHFFFAOYSA-N	0	3	282.300	1.287	50	5		CDBAHN
CN(C)CCNC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000095433464	374934823	/nfs/dbraw/zinc/93/48/23/374934823.db2.gz	HUHQYFAOYAOMRX-UHFFFAOYSA-N	0	3	285.731	1.469	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000002771756	296330563	/nfs/dbraw/zinc/33/05/63/296330563.db2.gz	ARNQGGVJMQDMBG-KWQFWETISA-N	0	3	299.670	1.845	50	5		CDBAHN
Cc1ccc([N+](=O)[O-])cc1C(=O)NCCCN1CC=CC1	ZINC000101449025	397796987	/nfs/dbraw/zinc/79/69/87/397796987.db2.gz	ZGQXBCHPVDPUGT-UHFFFAOYSA-N	0	3	289.335	1.895	50	5		CDBAHN
CCN1CCC[C@@H]1CNc1ncccc1[N+](=O)[O-]	ZINC000021790595	171323840	/nfs/dbraw/zinc/32/38/40/171323840.db2.gz	AWHJHOOTFXYXFL-SNVBAGLBSA-N	0	3	250.302	1.886	50	5		CDBAHN
NC(=O)[C@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1	ZINC000097375144	342002843	/nfs/dbraw/zinc/00/28/43/342002843.db2.gz	JQUUSPNPBYIGSU-STQMWFEESA-N	0	3	277.324	1.729	50	5		CDBAHN
C[C@H](CNCc1cccc([N+](=O)[O-])c1)[S@](C)=O	ZINC000095436246	374938130	/nfs/dbraw/zinc/93/81/30/374938130.db2.gz	BCRLWBAEDAPCGP-VVVCHXIZSA-N	0	3	256.327	1.451	50	5		CDBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1	ZINC000004179349	391938662	/nfs/dbraw/zinc/93/86/62/391938662.db2.gz	MKUHRNFZJODRNV-QMMMGPOBSA-N	0	3	266.257	1.301	50	5		CDBAHN
COc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c(OC)c1	ZINC000000089594	286364659	/nfs/dbraw/zinc/36/46/59/286364659.db2.gz	BGHATRKYYKUFPI-GWCFXTLKSA-N	0	3	280.280	1.300	50	5		CDBAHN
COc1cc(CNCCc2cnn(C)c2)ccc1[N+](=O)[O-]	ZINC000095462197	358919863	/nfs/dbraw/zinc/91/98/63/358919863.db2.gz	AHDACEFPXHACQQ-UHFFFAOYSA-N	0	3	290.323	1.669	50	5		CDBAHN
O=[N+]([O-])c1cc(Br)cnc1N1CCNCC1	ZINC000036226496	275032911	/nfs/dbraw/zinc/03/29/11/275032911.db2.gz	KEICYYFEZSTEIP-UHFFFAOYSA-N	0	3	287.117	1.162	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)c2ccncc21	ZINC000009646652	275036664	/nfs/dbraw/zinc/03/66/64/275036664.db2.gz	ZTHVAURBKDIDJU-UHFFFAOYSA-N	0	3	258.281	1.553	50	5		CDBAHN
CC(C)(C)NCC(=O)Nc1ccccc1[N+](=O)[O-]	ZINC000024165409	356653114	/nfs/dbraw/zinc/65/31/14/356653114.db2.gz	OJPNWKGJZCNFHG-UHFFFAOYSA-N	0	3	251.286	1.921	50	5		CDBAHN
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cc2F)C[C@H](C)N1	ZINC000004623615	274362178	/nfs/dbraw/zinc/36/21/78/274362178.db2.gz	CNHUHUYYUWJDRI-OCAPTIKFSA-N	0	3	268.292	1.503	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCN3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000239386696	275036516	/nfs/dbraw/zinc/03/65/16/275036516.db2.gz	QAWKMLWGDOMDTO-NSHDSACASA-N	0	3	292.295	1.787	50	5		CDBAHN
C[C@H](NCC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1	ZINC000195558797	278255390	/nfs/dbraw/zinc/25/53/90/278255390.db2.gz	YCIIEVJUCDOSFZ-VIFPVBQESA-N	0	3	265.313	1.757	50	5		CDBAHN
COc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000210955	295227188	/nfs/dbraw/zinc/22/71/88/295227188.db2.gz	XTYXKLZQDSOFES-PWSUYJOCSA-N	0	3	250.254	1.292	50	5		CDBAHN
Nc1ccc(CN[C@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	ZINC000095986287	185056783	/nfs/dbraw/zinc/05/67/83/185056783.db2.gz	NGAMUHLTTDTDGD-NSHDSACASA-N	0	3	276.340	1.503	50	5		CDBAHN
NC(=O)[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000055292078	283320108	/nfs/dbraw/zinc/32/01/08/283320108.db2.gz	QHVKVJIMPMTVOI-LLVKDONJSA-N	0	3	263.297	1.292	50	5		CDBAHN
O=[N+]([O-])c1cccc(Cl)c1NCCNCCO	ZINC000004142137	375890544	/nfs/dbraw/zinc/89/05/44/375890544.db2.gz	FVOVJFXIDAGBNK-UHFFFAOYSA-N	0	3	259.693	1.242	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc3c(c2)OCO3)N1	ZINC000000103383	358807822	/nfs/dbraw/zinc/80/78/22/358807822.db2.gz	FKMJJAMPPJQKFX-PELKAZGASA-N	0	3	264.237	1.012	50	5		CDBAHN
O=C(O[C@H]1CN2CCC1CC2)c1cccc([N+](=O)[O-])c1	ZINC000000135975	359133146	/nfs/dbraw/zinc/13/31/46/359133146.db2.gz	RAIALHYEHNJLIA-ZDUSSCGKSA-N	0	3	276.292	1.846	50	5		CDBAHN
COc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000210956	295250605	/nfs/dbraw/zinc/25/06/05/295250605.db2.gz	XTYXKLZQDSOFES-ZYHUDNBSSA-N	0	3	250.254	1.292	50	5		CDBAHN
NC(=O)[C@@H]1CCCC[C@@H]1NCc1cccc([N+](=O)[O-])c1	ZINC000097375146	342002758	/nfs/dbraw/zinc/00/27/58/342002758.db2.gz	JQUUSPNPBYIGSU-OLZOCXBDSA-N	0	3	277.324	1.729	50	5		CDBAHN
COC[C@H](O)CNc1cc(C)nc2ccc([N+](=O)[O-])cc21	ZINC000097083877	375143997	/nfs/dbraw/zinc/14/39/97/375143997.db2.gz	QJZQVQTXOREBTL-LLVKDONJSA-N	0	3	291.307	1.871	50	5		CDBAHN
O=[N+]([O-])c1cc(F)c(N2CCCC2)cc1N1CCNCC1	ZINC000004543928	275033717	/nfs/dbraw/zinc/03/37/17/275033717.db2.gz	VIIKTWJXHOLHTB-UHFFFAOYSA-N	0	3	294.330	1.744	50	5		CDBAHN
CCN(CCN(C)C)Cc1ccc([N+](=O)[O-])cc1	ZINC000000215712	359303705	/nfs/dbraw/zinc/30/37/05/359303705.db2.gz	KLLPNNXAYQIXKY-UHFFFAOYSA-N	0	3	251.330	1.978	50	5		CDBAHN
CN(c1ccc(C(N)=O)cc1[N+](=O)[O-])C1CCN(C)CC1	ZINC000005262127	170080850	/nfs/dbraw/zinc/08/08/50/170080850.db2.gz	TXASLADVHFSMGP-UHFFFAOYSA-N	0	3	292.339	1.224	50	5		CDBAHN
COC(=O)c1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000006412838	170199599	/nfs/dbraw/zinc/19/95/99/170199599.db2.gz	ZJCCAPANHVAOFB-UHFFFAOYSA-N	0	3	290.235	1.357	50	5		CDBAHN
[NH3+]CCCCC[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000044075725	175140687	/nfs/dbraw/zinc/14/06/87/175140687.db2.gz	MXSODYDMEQMTKP-UHFFFAOYSA-N	0	3	287.341	1.002	50	5		CDBAHN
COc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000210954	295250700	/nfs/dbraw/zinc/25/07/00/295250700.db2.gz	XTYXKLZQDSOFES-CMPLNLGQSA-N	0	3	250.254	1.292	50	5		CDBAHN
CCOc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090874	358654133	/nfs/dbraw/zinc/65/41/33/358654133.db2.gz	QCTXZKINYPLXNX-GXFFZTMASA-N	0	3	264.281	1.682	50	5		CDBAHN
CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023421636	359130812	/nfs/dbraw/zinc/13/08/12/359130812.db2.gz	CDDSATAFEYARTB-UHFFFAOYSA-N	0	3	263.297	1.419	50	5		CDBAHN
COc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])c(OC)c1	ZINC000000089598	286379685	/nfs/dbraw/zinc/37/96/85/286379685.db2.gz	BGHATRKYYKUFPI-GXFFZTMASA-N	0	3	280.280	1.300	50	5		CDBAHN
Cc1ccnc(N2[C@@H]3CC[C@H]2CCN(C)C3)c1[N+](=O)[O-]	ZINC000585092366	930922073	/nfs/dbraw/zinc/92/20/73/930922073.db2.gz	SEMGRSGSQRPQRX-NWDGAFQWSA-N	0	3	276.340	1.971	50	5		CDBAHN
CC(=O)Nc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000098910	358655789	/nfs/dbraw/zinc/65/57/89/358655789.db2.gz	PHQWJMBKBMPLIH-AAEUAGOBSA-N	0	3	277.280	1.241	50	5		CDBAHN
COc1ccc(CSC2=NCCN2)cc1[N+](=O)[O-]	ZINC000000179282	359224445	/nfs/dbraw/zinc/22/44/45/359224445.db2.gz	SWKTYZCCSUTJSP-UHFFFAOYSA-N	0	3	267.310	1.796	50	5		CDBAHN
CCOc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000090816	358656409	/nfs/dbraw/zinc/65/64/09/358656409.db2.gz	RKKCAGBZQUVVPH-AAEUAGOBSA-N	0	3	264.281	1.682	50	5		CDBAHN
Cn1nnnc1SCCNCc1cccc([N+](=O)[O-])c1	ZINC000016363673	370630591	/nfs/dbraw/zinc/63/05/91/370630591.db2.gz	TZYAZKBYJLLSGS-UHFFFAOYSA-N	0	3	294.340	1.000	50	5		CDBAHN
NC(=O)[C@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1	ZINC000097375143	342002765	/nfs/dbraw/zinc/00/27/65/342002765.db2.gz	JQUUSPNPBYIGSU-QWHCGFSZSA-N	0	3	277.324	1.729	50	5		CDBAHN
Cc1cc(=O)n(CCN2CCCCC2)cc1[N+](=O)[O-]	ZINC000089568490	360462831	/nfs/dbraw/zinc/46/28/31/360462831.db2.gz	BXIQFVKGDALSFR-UHFFFAOYSA-N	0	3	265.313	1.551	50	5		CDBAHN
O=[N+]([O-])c1ccccc1C[C@H](O)CN1CCCCC1	ZINC000027987650	375170590	/nfs/dbraw/zinc/17/05/90/375170590.db2.gz	QNSORKDXNDKKPV-ZDUSSCGKSA-N	0	3	264.325	1.984	50	5		CDBAHN
CN(C)CCNC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000005041450	170059705	/nfs/dbraw/zinc/05/97/05/170059705.db2.gz	CGVUMRRPWSWRNS-UHFFFAOYSA-N	0	3	268.342	1.443	50	5		CDBAHN
CC(C)CN[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000017084901	367020962	/nfs/dbraw/zinc/02/09/62/367020962.db2.gz	QLIZTWBNBAQCDH-GFCCVEGCSA-N	0	3	291.307	1.472	50	5		CDBAHN
CCOC[C@@H](O)CN(C)[C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000107050081	186156489	/nfs/dbraw/zinc/15/64/89/186156489.db2.gz	HDHLFFMAWCCLML-RISCZKNCSA-N	0	3	282.340	1.985	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2Cl)N1	ZINC000000090859	296326381	/nfs/dbraw/zinc/32/63/81/296326381.db2.gz	TYGMJKKENBLZGE-KOLCDFICSA-N	0	3	254.673	1.936	50	5		CDBAHN
CCOc1ccccc1CNC(=O)c1[nH]ncc1[N+](=O)[O-]	ZINC000006412400	170199672	/nfs/dbraw/zinc/19/96/72/170199672.db2.gz	VIPURLREKFJNCL-UHFFFAOYSA-N	0	3	290.279	1.647	50	5		CDBAHN
CCOc1ccccc1CNC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000006412400	170199673	/nfs/dbraw/zinc/19/96/73/170199673.db2.gz	VIPURLREKFJNCL-UHFFFAOYSA-N	0	3	290.279	1.647	50	5		CDBAHN
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)N2CCCCC2)cc1	ZINC000096027514	351475388	/nfs/dbraw/zinc/47/53/88/351475388.db2.gz	PJWKHFUUONPSEU-UONOGXRCSA-N	0	3	280.324	1.475	50	5		CDBAHN
Cn1nnnc1SCCNCc1ccc([N+](=O)[O-])cc1	ZINC000016363669	370630169	/nfs/dbraw/zinc/63/01/69/370630169.db2.gz	FNPULGNMPROZFV-UHFFFAOYSA-N	0	3	294.340	1.000	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N1	ZINC000002788606	375325773	/nfs/dbraw/zinc/32/57/73/375325773.db2.gz	HNPKDEDJNOBPTB-GXSJLCMTSA-N	0	3	265.225	1.191	50	5		CDBAHN
CN(C)CCNc1c2ccccc2n(C)c(=O)c1[N+](=O)[O-]	ZINC000004680199	169997633	/nfs/dbraw/zinc/99/76/33/169997633.db2.gz	UIUVCQPGPOYUEP-UHFFFAOYSA-N	0	3	290.323	1.420	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)c2cccnc21	ZINC000004499384	275036583	/nfs/dbraw/zinc/03/65/83/275036583.db2.gz	MPGZAAGYNPKHDS-UHFFFAOYSA-N	0	3	258.281	1.553	50	5		CDBAHN
Cc1c(CN2C[C@@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000106655598	186129662	/nfs/dbraw/zinc/12/96/62/186129662.db2.gz	GNVYTMPRYUWXIM-MFKMUULPSA-N	0	3	291.351	1.989	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2Cl)N1	ZINC000000090856	355885084	/nfs/dbraw/zinc/88/50/84/355885084.db2.gz	TYGMJKKENBLZGE-GXSJLCMTSA-N	0	3	254.673	1.936	50	5		CDBAHN
O=[N+]([O-])c1ccccc1OCCNC[C@@H]1CCCO1	ZINC000003247120	368621659	/nfs/dbraw/zinc/62/16/59/368621659.db2.gz	FDTQNSRSJOEOLG-NSHDSACASA-N	0	3	266.297	1.742	50	5		CDBAHN
O=C(CSC1=NCCN1)Nc1ccccc1[N+](=O)[O-]	ZINC000007140991	170268335	/nfs/dbraw/zinc/26/83/35/170268335.db2.gz	UNVPJXIRGPYRNQ-UHFFFAOYSA-N	0	3	280.309	1.226	50	5		CDBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1	ZINC000005017306	274594410	/nfs/dbraw/zinc/59/44/10/274594410.db2.gz	QQBBHAASIIEVMS-JTQLQIEISA-N	0	3	272.308	1.941	50	5		CDBAHN
COC(=O)c1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103425	358808179	/nfs/dbraw/zinc/80/81/79/358808179.db2.gz	UVXBSXLPWBAFPP-ZYHUDNBSSA-N	0	3	278.264	1.070	50	5		CDBAHN
C[C@H](NC[C@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850140	180046636	/nfs/dbraw/zinc/04/66/36/180046636.db2.gz	IUCOROLDKWZBSJ-GXFFZTMASA-N	0	3	266.297	1.397	50	5		CDBAHN
O=C(O[C@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1	ZINC000000135984	359133862	/nfs/dbraw/zinc/13/38/62/359133862.db2.gz	MZUQHOMDMKXMHB-ZDUSSCGKSA-N	0	3	276.292	1.846	50	5		CDBAHN
COc1cccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c1OC	ZINC000000090311	358656906	/nfs/dbraw/zinc/65/69/06/358656906.db2.gz	UBUCSYPYCYYISP-CABZTGNLSA-N	0	3	280.280	1.300	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cc3c(cc2Cl)OCO3)N1	ZINC000000089571	296330555	/nfs/dbraw/zinc/33/05/55/296330555.db2.gz	ISQNUCJEUYXRGA-QPUJVOFHSA-N	0	3	298.682	1.665	50	5		CDBAHN
COc1ccc(C(=O)NCCN2CCCC2)cc1[N+](=O)[O-]	ZINC000004699344	170000790	/nfs/dbraw/zinc/00/07/90/170000790.db2.gz	BYMNAUNVLMLXFU-UHFFFAOYSA-N	0	3	293.323	1.429	50	5		CDBAHN
O=C(NCc1ccc(F)cc1)c1[nH]ncc1[N+](=O)[O-]	ZINC000006413982	170199630	/nfs/dbraw/zinc/19/96/30/170199630.db2.gz	MENUYNAZRLUQPB-UHFFFAOYSA-N	0	3	264.216	1.387	50	5		CDBAHN
O=C(NCc1ccc(F)cc1)c1n[nH]cc1[N+](=O)[O-]	ZINC000006413982	170199631	/nfs/dbraw/zinc/19/96/31/170199631.db2.gz	MENUYNAZRLUQPB-UHFFFAOYSA-N	0	3	264.216	1.387	50	5		CDBAHN
CCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000004688319	570249041	/nfs/dbraw/zinc/24/90/41/570249041.db2.gz	TZIIWRXQRBBQDG-UHFFFAOYSA-N	0	3	250.302	1.436	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cccc([N+](=O)[O-])c2)N1	ZINC000002788605	296330534	/nfs/dbraw/zinc/33/05/34/296330534.db2.gz	HNPKDEDJNOBPTB-ONGXEEELSA-N	0	3	265.225	1.191	50	5		CDBAHN
O=[N+]([O-])c1ccc(CN2CCC[C@H](CO)C2)cc1	ZINC000004948013	170044609	/nfs/dbraw/zinc/04/46/09/170044609.db2.gz	JZEBGNLIZMRNAU-LBPRGKRZSA-N	0	3	250.298	1.799	50	5		CDBAHN
C[C@@H](Cn1cncn1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000095421201	357340217	/nfs/dbraw/zinc/34/02/17/357340217.db2.gz	SHMWKPQQPHAEOH-QWRGUYRKSA-N	0	3	275.312	1.926	50	5		CDBAHN
C[C@@H](CNCc1cccc([N+](=O)[O-])c1)[S@](C)=O	ZINC000095436245	374937433	/nfs/dbraw/zinc/93/74/33/374937433.db2.gz	BCRLWBAEDAPCGP-HUTHGQBESA-N	0	3	256.327	1.451	50	5		CDBAHN
CN(C)CCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000010111494	170397624	/nfs/dbraw/zinc/39/76/24/170397624.db2.gz	ASNPOJMMQWPJMK-UHFFFAOYSA-N	0	3	271.704	1.540	50	5		CDBAHN
CCN1CCC(NC(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000029606544	375447347	/nfs/dbraw/zinc/44/73/47/375447347.db2.gz	HKSLFJSFRVZSHP-UHFFFAOYSA-N	0	3	277.324	1.809	50	5		CDBAHN
COc1c2c(cc3c1[C@@H](C(C)[N+](=O)[O-])N(C)CC3)OCO2	ZINC000033345333	390875130	/nfs/dbraw/zinc/87/51/30/390875130.db2.gz	DMFKDBXYGPGBMW-QPUJVOFHSA-N	0	3	294.307	1.618	50	5	biogenic	CDBAHN
COc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000210951	286364646	/nfs/dbraw/zinc/36/46/46/286364646.db2.gz	XTYXKLZQDSOFES-JQWIXIFHSA-N	0	3	250.254	1.292	50	5		CDBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@@H]1CCCC[NH2+]C1	ZINC000070120606	304810296	/nfs/dbraw/zinc/81/02/96/304810296.db2.gz	SHBVJEHJRUFJQJ-SNVBAGLBSA-N	0	3	299.352	1.015	50	5		CDBAHN
COc1cccc([C@H]2NC(=O)CCC2[N+](=O)[O-])c1OC	ZINC000000090314	358654295	/nfs/dbraw/zinc/65/42/95/358654295.db2.gz	UBUCSYPYCYYISP-JOYOIKCWSA-N	0	3	280.280	1.300	50	5		CDBAHN
Nc1cc(N2CCNCC2)c([N+](=O)[O-])cc1Cl	ZINC000004819294	274964336	/nfs/dbraw/zinc/96/43/36/274964336.db2.gz	CKENAFXDMPCJLA-UHFFFAOYSA-N	0	3	256.693	1.240	50	5		CDBAHN
O=C(O[C@@H]1CN2CCC1CC2)c1ccc([N+](=O)[O-])cc1	ZINC000000135985	359133810	/nfs/dbraw/zinc/13/38/10/359133810.db2.gz	MZUQHOMDMKXMHB-CYBMUJFWSA-N	0	3	276.292	1.846	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N1	ZINC000000099320	296330522	/nfs/dbraw/zinc/33/05/22/296330522.db2.gz	CALXKFHEBRCNOE-ONGXEEELSA-N	0	3	254.673	1.936	50	5		CDBAHN
CN(C)CCNC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000005060932	170062708	/nfs/dbraw/zinc/06/27/08/170062708.db2.gz	ANYKFKPTBDXMID-UHFFFAOYSA-N	0	3	252.274	1.278	50	5		CDBAHN
COc1ccc(OC)c(NC(=O)c2n[nH]cc2[N+](=O)[O-])c1	ZINC000006412885	170199530	/nfs/dbraw/zinc/19/95/30/170199530.db2.gz	ASMJGRFQONNYOS-UHFFFAOYSA-N	0	3	292.251	1.587	50	5		CDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])c3cccnc32)CCN1	ZINC000005017303	274364333	/nfs/dbraw/zinc/36/43/33/274364333.db2.gz	QQBBHAASIIEVMS-SNVBAGLBSA-N	0	3	272.308	1.941	50	5		CDBAHN
CCOc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000090825	358654766	/nfs/dbraw/zinc/65/47/66/358654766.db2.gz	RKKCAGBZQUVVPH-DGCLKSJQSA-N	0	3	264.281	1.682	50	5		CDBAHN
COc1cccc([C@H]2NC(=O)CCC2[N+](=O)[O-])c1OC	ZINC000000090319	358656229	/nfs/dbraw/zinc/65/62/29/358656229.db2.gz	UBUCSYPYCYYISP-BXKDBHETSA-N	0	3	280.280	1.300	50	5		CDBAHN
C[C@H]1CN(c2cc(N)c([N+](=O)[O-])cc2F)C[C@H](C)N1	ZINC000004623617	274592667	/nfs/dbraw/zinc/59/26/67/274592667.db2.gz	CNHUHUYYUWJDRI-YUMQZZPRSA-N	0	3	268.292	1.503	50	5		CDBAHN
COc1cccc([C@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000122554	359120090	/nfs/dbraw/zinc/12/00/90/359120090.db2.gz	KFYLNOYLFXNMLQ-ZYHUDNBSSA-N	0	3	250.254	1.292	50	5		CDBAHN
COc1ccc(OC)c([C@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000115953	359098998	/nfs/dbraw/zinc/09/89/98/359098998.db2.gz	CVLKDXLRWZVGRV-ZWNOBZJWSA-N	0	3	280.280	1.300	50	5		CDBAHN
O=C(CSC1=NCCN1)Nc1cccc([N+](=O)[O-])c1	ZINC000003241797	368607030	/nfs/dbraw/zinc/60/70/30/368607030.db2.gz	IQIWLITXLGCSBE-UHFFFAOYSA-N	0	3	280.309	1.226	50	5		CDBAHN
COc1c2c(cc3c1[C@H](C(C)[N+](=O)[O-])N(C)CC3)OCO2	ZINC000033318753	286188546	/nfs/dbraw/zinc/18/85/46/286188546.db2.gz	DMFKDBXYGPGBMW-UFBFGSQYSA-N	0	3	294.307	1.618	50	5	biogenic	CDBAHN
CCOC(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000012352195	276299575	/nfs/dbraw/zinc/29/95/75/276299575.db2.gz	QAGYBERSNPLRAY-UHFFFAOYSA-N	0	3	279.296	1.181	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)cc2)N1	ZINC000000099329	280257812	/nfs/dbraw/zinc/25/78/12/280257812.db2.gz	CALXKFHEBRCNOE-KOLCDFICSA-N	0	3	254.673	1.936	50	5		CDBAHN
O=[N+]([O-])c1ccccc1OCCN1CCC[C@@H]1CO	ZINC000095948540	185039341	/nfs/dbraw/zinc/03/93/41/185039341.db2.gz	HWSWNQOSVRDARQ-LLVKDONJSA-N	0	3	266.297	1.430	50	5		CDBAHN
COc1ccc(OC)c([C@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000115945	359099242	/nfs/dbraw/zinc/09/92/42/359099242.db2.gz	CVLKDXLRWZVGRV-GXFFZTMASA-N	0	3	280.280	1.300	50	5		CDBAHN
Cc1cc(C(=O)NC2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000023421650	359131133	/nfs/dbraw/zinc/13/11/33/359131133.db2.gz	ICPNMLJCHXZKAQ-UHFFFAOYSA-N	0	3	277.324	1.727	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000002771758	296326372	/nfs/dbraw/zinc/32/63/72/296326372.db2.gz	ARNQGGVJMQDMBG-KCJUWKMLSA-N	0	3	299.670	1.845	50	5		CDBAHN
O=[N+]([O-])c1cc(Br)ccc1OC1CNC1	ZINC000042769703	285083184	/nfs/dbraw/zinc/08/31/84/285083184.db2.gz	JBIQIBUVKUNXDH-UHFFFAOYSA-N	0	3	273.086	1.708	50	5		CDBAHN
CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000037285946	173092334	/nfs/dbraw/zinc/09/23/34/173092334.db2.gz	LLACNNJGMRRYGM-UHFFFAOYSA-N	0	3	255.249	1.025	50	5		CDBAHN
CN1CCCN(Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000000295316	359431230	/nfs/dbraw/zinc/43/12/30/359431230.db2.gz	DQZALINDZMWWFT-UHFFFAOYSA-N	0	3	293.323	1.461	50	5		CDBAHN
O=[N+]([O-])c1ccc(OC[C@@H](O)CN2CCCCC2)cc1	ZINC000000032695	482456606	/nfs/dbraw/zinc/45/66/06/482456606.db2.gz	HUKIYIZTJIPXIR-ZDUSSCGKSA-N	0	3	280.324	1.820	50	5		CDBAHN
[NH3+][C@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000124981188	351391995	/nfs/dbraw/zinc/39/19/95/351391995.db2.gz	RBTOVHWKCCAALK-UWVGGRQHSA-N	0	3	299.352	1.143	50	5		CDBAHN
O=[N+]([O-])c1ccc(CN2CCC[C@@H](CO)C2)cc1	ZINC000004948016	170044630	/nfs/dbraw/zinc/04/46/30/170044630.db2.gz	JZEBGNLIZMRNAU-GFCCVEGCSA-N	0	3	250.298	1.799	50	5		CDBAHN
Cc1nccn1-c1ccc([N+](=O)[O-])c(N2CCNCC2)c1	ZINC000038518557	274859692	/nfs/dbraw/zinc/85/96/92/274859692.db2.gz	GZKDDOUOFDEZFL-UHFFFAOYSA-N	0	3	287.323	1.499	50	5		CDBAHN
CN1CC[C@@H]2CN(c3ncccc3[N+](=O)[O-])C[C@@H]2C1	ZINC000585092034	362012278	/nfs/dbraw/zinc/01/22/78/362012278.db2.gz	BOEAIWGIYYOBDZ-MNOVXSKESA-N	0	3	262.313	1.378	50	5		CDBAHN
CC(=O)c1ccc(N2CC(CN(C)C)C2)c([N+](=O)[O-])c1	ZINC000382237181	358765089	/nfs/dbraw/zinc/76/50/89/358765089.db2.gz	AHYVWJXWIJJRIE-UHFFFAOYSA-N	0	3	277.324	1.795	50	5		CDBAHN
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCCCC1	ZINC000006059883	361222108	/nfs/dbraw/zinc/22/21/08/361222108.db2.gz	JEMQDFFQACGZGG-LBPRGKRZSA-N	0	3	280.324	1.820	50	5		CDBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@H]1CCCC[NH2+]1	ZINC000044492452	175181151	/nfs/dbraw/zinc/18/11/51/175181151.db2.gz	PESMKRWYIIHDOL-SNVBAGLBSA-N	0	3	299.352	1.015	50	5		CDBAHN
CC(C)Nc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000004740957	358162497	/nfs/dbraw/zinc/16/24/97/358162497.db2.gz	RWQXJALRNBCRMX-UHFFFAOYSA-N	0	3	264.329	1.825	50	5		CDBAHN
C[C@@H](NC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850143	180046565	/nfs/dbraw/zinc/04/65/65/180046565.db2.gz	IUCOROLDKWZBSJ-MFKMUULPSA-N	0	3	266.297	1.397	50	5		CDBAHN
CN(C)CCNc1c2ccccc2oc(=O)c1[N+](=O)[O-]	ZINC000003896370	375809670	/nfs/dbraw/zinc/80/96/70/375809670.db2.gz	HRNYMYFAVNNWIQ-UHFFFAOYSA-N	0	3	277.280	1.675	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cc3c(cc2Cl)OCO3)N1	ZINC000000089577	296326041	/nfs/dbraw/zinc/32/60/41/296326041.db2.gz	ISQNUCJEUYXRGA-PRHODGIISA-N	0	3	298.682	1.665	50	5		CDBAHN
O=C1C[C@@H](NCC2CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000083251951	178370452	/nfs/dbraw/zinc/37/04/52/178370452.db2.gz	DCVWSFBEAZLFSA-GFCCVEGCSA-N	0	3	289.291	1.226	50	5		CDBAHN
O=c1ccc([N+](=O)[O-])cn1CCN1CCC2(CCC2)C1	ZINC000090552253	180002494	/nfs/dbraw/zinc/00/24/94/180002494.db2.gz	YJLSGBOVNPHQPF-UHFFFAOYSA-N	0	3	277.324	1.633	50	5		CDBAHN
CCN1CCC[C@H]1CNc1ncccc1[N+](=O)[O-]	ZINC000021790599	171323723	/nfs/dbraw/zinc/32/37/23/171323723.db2.gz	AWHJHOOTFXYXFL-JTQLQIEISA-N	0	3	250.302	1.886	50	5		CDBAHN
Cc1cnc(N(C)[C@@H]2CCCN(C)C2)c([N+](=O)[O-])c1	ZINC000096449411	302345473	/nfs/dbraw/zinc/34/54/73/302345473.db2.gz	BQNGEUCJKYRLJD-LLVKDONJSA-N	0	3	264.329	1.829	50	5		CDBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)N2CCCCC2)cc1	ZINC000096027513	351475382	/nfs/dbraw/zinc/47/53/82/351475382.db2.gz	PJWKHFUUONPSEU-KBPBESRZSA-N	0	3	280.324	1.475	50	5		CDBAHN
Cc1ccc(CN2CCC[C@H](CC(N)=O)C2)cc1[N+](=O)[O-]	ZINC000093808690	374786302	/nfs/dbraw/zinc/78/63/02/374786302.db2.gz	KGONSXUJRPDFSU-GFCCVEGCSA-N	0	3	291.351	1.991	50	5		CDBAHN
COc1ccc(OC)c([C@@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000115940	286343764	/nfs/dbraw/zinc/34/37/64/286343764.db2.gz	CVLKDXLRWZVGRV-GWCFXTLKSA-N	0	3	280.280	1.300	50	5		CDBAHN
Cc1cc(C(=O)NCCN(C)C)ccc1[N+](=O)[O-]	ZINC000004818397	170022499	/nfs/dbraw/zinc/02/24/99/170022499.db2.gz	YVBFEOZUHCBARY-UHFFFAOYSA-N	0	3	251.286	1.195	50	5		CDBAHN
CN(C)CCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004953043	170044776	/nfs/dbraw/zinc/04/47/76/170044776.db2.gz	SBGZFCXNCZBHPF-UHFFFAOYSA-N	0	3	271.704	1.540	50	5		CDBAHN
CN(C)CCOCCNc1ccc([N+](=O)[O-])cc1	ZINC000095997026	185061249	/nfs/dbraw/zinc/06/12/49/185061249.db2.gz	RZEWNBHVENATPC-UHFFFAOYSA-N	0	3	253.302	1.585	50	5		CDBAHN
C[C@H](Cn1cncn1)N[C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000095421204	357340730	/nfs/dbraw/zinc/34/07/30/357340730.db2.gz	SHMWKPQQPHAEOH-GHMZBOCLSA-N	0	3	275.312	1.926	50	5		CDBAHN
NC(=O)CCNCc1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000095452870	358845731	/nfs/dbraw/zinc/84/57/31/358845731.db2.gz	QVOILEMOHDJEDK-UHFFFAOYSA-N	0	3	289.291	1.820	50	5		CDBAHN
COc1ccc(C(=O)CSC2=NCCN2)cc1[N+](=O)[O-]	ZINC000000374916	359631550	/nfs/dbraw/zinc/63/15/50/359631550.db2.gz	ANGFVEGAGPQFMC-UHFFFAOYSA-N	0	3	295.320	1.479	50	5		CDBAHN
C[C@@H]1CN(c2cc(N)c([N+](=O)[O-])cc2F)C[C@@H](C)N1	ZINC000004623619	274362068	/nfs/dbraw/zinc/36/20/68/274362068.db2.gz	CNHUHUYYUWJDRI-HTQZYQBOSA-N	0	3	268.292	1.503	50	5		CDBAHN
CC(=O)Nc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000098920	358654244	/nfs/dbraw/zinc/65/42/44/358654244.db2.gz	PHQWJMBKBMPLIH-DGCLKSJQSA-N	0	3	277.280	1.241	50	5		CDBAHN
COc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1OC	ZINC000000094883	358669782	/nfs/dbraw/zinc/66/97/82/358669782.db2.gz	QQQDHBUWOFWZEF-RNCFNFMXSA-N	0	3	280.280	1.300	50	5		CDBAHN
CN(C)CCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004358160	356318285	/nfs/dbraw/zinc/31/82/85/356318285.db2.gz	XUPVXKLPNVKACM-UHFFFAOYSA-N	0	3	254.246	1.477	50	5		CDBAHN
O=C(NCCN1CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000005513319	170106073	/nfs/dbraw/zinc/10/60/73/170106073.db2.gz	OLFLFCAHZFGBNS-UHFFFAOYSA-N	0	3	277.324	1.811	50	5		CDBAHN
CC(=O)Nc1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000098916	278204845	/nfs/dbraw/zinc/20/48/45/278204845.db2.gz	PHQWJMBKBMPLIH-YPMHNXCESA-N	0	3	277.280	1.241	50	5		CDBAHN
Cc1cnc(N(C)[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1	ZINC000096449412	534559733	/nfs/dbraw/zinc/55/97/33/534559733.db2.gz	BQNGEUCJKYRLJD-NSHDSACASA-N	0	3	264.329	1.829	50	5		CDBAHN
COC(=O)c1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103423	358808387	/nfs/dbraw/zinc/80/83/87/358808387.db2.gz	UVXBSXLPWBAFPP-PWSUYJOCSA-N	0	3	278.264	1.070	50	5		CDBAHN
O=[N+]([O-])c1cccc(CNC[C@@]2(CCO)CCOC2)c1	ZINC000089780828	366933038	/nfs/dbraw/zinc/93/30/38/366933038.db2.gz	FYRSKMRURYIKHI-CQSZACIVSA-N	0	3	280.324	1.474	50	5		CDBAHN
CC(C)C[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004262395	275597900	/nfs/dbraw/zinc/59/79/00/275597900.db2.gz	AXZJHDNQDSVIDR-NSHDSACASA-N	0	3	251.286	1.907	50	5		CDBAHN
Cc1c(CN2C[C@H](C(N)=O)CC[C@H]2C)cccc1[N+](=O)[O-]	ZINC000106655596	186130305	/nfs/dbraw/zinc/13/03/05/186130305.db2.gz	GNVYTMPRYUWXIM-ZWNOBZJWSA-N	0	3	291.351	1.989	50	5		CDBAHN
COC(=O)c1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103420	358808171	/nfs/dbraw/zinc/80/81/71/358808171.db2.gz	UVXBSXLPWBAFPP-CMPLNLGQSA-N	0	3	278.264	1.070	50	5		CDBAHN
O=[N+]([O-])c1cnn(CCN2CCc3ccccc3CC2)c1	ZINC000089861237	366947265	/nfs/dbraw/zinc/94/72/65/366947265.db2.gz	XMILCYJLSZHJPW-UHFFFAOYSA-N	0	3	286.335	1.892	50	5		CDBAHN
COc1cccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000122551	169544044	/nfs/dbraw/zinc/54/40/44/169544044.db2.gz	KFYLNOYLFXNMLQ-PWSUYJOCSA-N	0	3	250.254	1.292	50	5		CDBAHN
CCOc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090869	358654210	/nfs/dbraw/zinc/65/42/10/358654210.db2.gz	QCTXZKINYPLXNX-GWCFXTLKSA-N	0	3	264.281	1.682	50	5		CDBAHN
CC(=O)c1ccc(N2C[C@H]3[C@@H](C2)[C@@H]3N(C)C)c([N+](=O)[O-])c1	ZINC000385216080	358736588	/nfs/dbraw/zinc/73/65/88/358736588.db2.gz	SCZAYZXCYFEZES-JYAVWHMHSA-N	0	3	289.335	1.794	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cccc([N+](=O)[O-])c2)N1	ZINC000002788608	375326019	/nfs/dbraw/zinc/32/60/19/375326019.db2.gz	HNPKDEDJNOBPTB-MWLCHTKSSA-N	0	3	265.225	1.191	50	5		CDBAHN
CN(C)CCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005102284	170066487	/nfs/dbraw/zinc/06/64/87/170066487.db2.gz	NEKIUJOPLITFBM-UHFFFAOYSA-N	0	3	271.704	1.540	50	5		CDBAHN
Nc1n[nH]c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1	ZINC000006414741	170199440	/nfs/dbraw/zinc/19/94/40/170199440.db2.gz	TTYJRCMEJINFHK-UHFFFAOYSA-N	0	3	294.296	1.026	50	5		CDBAHN
CN1CCC(NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000048608973	356977808	/nfs/dbraw/zinc/97/78/08/356977808.db2.gz	RAWFGDXAPHIETD-UHFFFAOYSA-N	0	3	263.297	1.419	50	5		CDBAHN
C[C@@H](N[C@@H](C)Cn1cncn1)c1ccc([N+](=O)[O-])cc1	ZINC000095421203	277626343	/nfs/dbraw/zinc/62/63/43/277626343.db2.gz	SHMWKPQQPHAEOH-WDEREUQCSA-N	0	3	275.312	1.926	50	5		CDBAHN
COc1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])c(C)c1	ZINC000006413350	170199348	/nfs/dbraw/zinc/19/93/48/170199348.db2.gz	ZCWNRGGBEGJSLD-UHFFFAOYSA-N	0	3	276.252	1.887	50	5		CDBAHN
C[C@@H](NCC(C)(C)C(N)=O)c1ccc([N+](=O)[O-])cc1	ZINC000195558796	287015988	/nfs/dbraw/zinc/01/59/88/287015988.db2.gz	YCIIEVJUCDOSFZ-SECBINFHSA-N	0	3	265.313	1.757	50	5		CDBAHN
CC1(C)N=C(Nc2ccccc2[N+](=O)[O-])NC(=N)N1	ZINC000004846221	342089173	/nfs/dbraw/zinc/08/91/73/342089173.db2.gz	DLVJSVJORVDPHD-UHFFFAOYSA-N	0	3	262.273	1.017	50	5		CDBAHN
CN1CCC(NC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000012795877	374581919	/nfs/dbraw/zinc/58/19/19/374581919.db2.gz	JTARHOVGCHEXGE-UHFFFAOYSA-N	0	3	278.312	1.811	50	5		CDBAHN
[NH3+][C@@H]1CCC[C@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000124981556	351392308	/nfs/dbraw/zinc/39/23/08/351392308.db2.gz	RBTOVHWKCCAALK-ZJUUUORDSA-N	0	3	299.352	1.143	50	5		CDBAHN
CCN(CC)CCn1cc(Cl)cc([N+](=O)[O-])c1=O	ZINC000097377166	356101221	/nfs/dbraw/zinc/10/12/21/356101221.db2.gz	QQOPQKDFXGYUMV-UHFFFAOYSA-N	0	3	273.720	1.752	50	5		CDBAHN
O=[N+]([O-])c1ccc(-n2ccnc2)cc1N1CCNCC1	ZINC000038518565	275034840	/nfs/dbraw/zinc/03/48/40/275034840.db2.gz	HGTYHXHOEQDHOA-UHFFFAOYSA-N	0	3	273.296	1.190	50	5		CDBAHN
CCOc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000090819	358657328	/nfs/dbraw/zinc/65/73/28/358657328.db2.gz	RKKCAGBZQUVVPH-WCQYABFASA-N	0	3	264.281	1.682	50	5		CDBAHN
CCNC(=O)C(C)(C)CNCc1cccc([N+](=O)[O-])c1	ZINC000095430931	374932846	/nfs/dbraw/zinc/93/28/46/374932846.db2.gz	REJFNFLSAGDASI-UHFFFAOYSA-N	0	3	279.340	1.847	50	5		CDBAHN
COc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])c(OC)c1	ZINC000000089603	286379709	/nfs/dbraw/zinc/37/97/09/286379709.db2.gz	BGHATRKYYKUFPI-ZWNOBZJWSA-N	0	3	280.280	1.300	50	5		CDBAHN
C[C@H](NC[C@@]1(O)CCOC1)c1ccc([N+](=O)[O-])cc1	ZINC000090850142	180046110	/nfs/dbraw/zinc/04/61/10/180046110.db2.gz	IUCOROLDKWZBSJ-GWCFXTLKSA-N	0	3	266.297	1.397	50	5		CDBAHN
CC(=O)Nc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000098912	358657554	/nfs/dbraw/zinc/65/75/54/358657554.db2.gz	PHQWJMBKBMPLIH-WCQYABFASA-N	0	3	277.280	1.241	50	5		CDBAHN
CC[C@H](C)[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899770	170037865	/nfs/dbraw/zinc/03/78/65/170037865.db2.gz	NCCAUSZFESISCS-KWQFWETISA-N	0	3	251.286	1.907	50	5		CDBAHN
CC(C)(C)NCc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000008728403	170350410	/nfs/dbraw/zinc/35/04/10/170350410.db2.gz	HGZDDXXNZMKURS-UHFFFAOYSA-N	0	3	251.286	1.582	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000004182252	275036535	/nfs/dbraw/zinc/03/65/35/275036535.db2.gz	QAWKMLWGDOMDTO-LLVKDONJSA-N	0	3	292.295	1.787	50	5		CDBAHN
NC(=O)[C@@H]1CCCC[C@H]1NCc1cccc([N+](=O)[O-])c1	ZINC000097375145	342002754	/nfs/dbraw/zinc/00/27/54/342002754.db2.gz	JQUUSPNPBYIGSU-CHWSQXEVSA-N	0	3	277.324	1.729	50	5		CDBAHN
CCOc1ccccc1NC(=O)c1n[nH]cc1[N+](=O)[O-]	ZINC000006412431	170199537	/nfs/dbraw/zinc/19/95/37/170199537.db2.gz	HWYUAHSPCRWGJW-UHFFFAOYSA-N	0	3	276.252	1.969	50	5		CDBAHN
COCCNc1cc(N2CCNCC2)ccc1[N+](=O)[O-]	ZINC000009192168	378470977	/nfs/dbraw/zinc/47/09/77/378470977.db2.gz	RSIJCLJMLNKWCA-UHFFFAOYSA-N	0	3	280.328	1.063	50	5		CDBAHN
CN(C)CCN(C)C(=O)Cc1ccc([N+](=O)[O-])cc1Cl	ZINC000085361634	179033522	/nfs/dbraw/zinc/03/35/22/179033522.db2.gz	DZRLFWUGIGRXDW-UHFFFAOYSA-N	0	3	299.758	1.811	50	5		CDBAHN
Cc1ccc([N+](=O)[O-])c(OCCCN2CCN(C)CC2)c1	ZINC000004868841	170034223	/nfs/dbraw/zinc/03/42/23/170034223.db2.gz	IRMDETIIFKBSPX-UHFFFAOYSA-N	0	3	293.367	1.920	50	5		CDBAHN
O=C(Nc1ccc2c(c1)OCCO2)c1n[nH]cc1[N+](=O)[O-]	ZINC000006414096	170199358	/nfs/dbraw/zinc/19/93/58/170199358.db2.gz	YKFSJORXPNNRDI-UHFFFAOYSA-N	0	3	290.235	1.341	50	5		CDBAHN
CCCCNCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000007982494	170311775	/nfs/dbraw/zinc/31/17/75/170311775.db2.gz	QMMARBAOELWOEG-UHFFFAOYSA-N	0	3	281.312	1.932	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)N1	ZINC000002771759	280257551	/nfs/dbraw/zinc/25/75/51/280257551.db2.gz	ARNQGGVJMQDMBG-LDYMZIIASA-N	0	3	299.670	1.845	50	5		CDBAHN
Nc1ccc(CN[C@@H]2CCN(C3CC3)C2)cc1[N+](=O)[O-]	ZINC000095986286	185056455	/nfs/dbraw/zinc/05/64/55/185056455.db2.gz	NGAMUHLTTDTDGD-LLVKDONJSA-N	0	3	276.340	1.503	50	5		CDBAHN
NCc1cc(F)c(I)cc1[N+](=O)[O-]	ZINC000169800535	362148846	/nfs/dbraw/zinc/14/88/46/362148846.db2.gz	ZVRQGIWCJLRYRR-UHFFFAOYSA-N	0	3	296.039	1.797	50	5		CDBAHN
C[C@H](NCCn1ccc([N+](=O)[O-])n1)c1ccncc1	ZINC000097084010	375145238	/nfs/dbraw/zinc/14/52/38/375145238.db2.gz	XGPNHBGBIBKVCG-JTQLQIEISA-N	0	3	261.285	1.537	50	5		CDBAHN
CSCC[C@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899518	170037810	/nfs/dbraw/zinc/03/78/10/170037810.db2.gz	PLBWRAWSHVJPTL-JTQLQIEISA-N	0	3	269.326	1.614	50	5		CDBAHN
CC(C)(C)N[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1=O	ZINC000022016032	171349750	/nfs/dbraw/zinc/34/97/50/171349750.db2.gz	HILZEJUHMCGOIB-NSHDSACASA-N	0	3	291.307	1.615	50	5		CDBAHN
CN1CCC(NC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000012795875	170511454	/nfs/dbraw/zinc/51/14/54/170511454.db2.gz	GLINZGVDHZZNLZ-UHFFFAOYSA-N	0	3	278.312	1.811	50	5		CDBAHN
C[C@H](CNCc1cccc([N+](=O)[O-])c1)[S@@](C)=O	ZINC000095436248	374937880	/nfs/dbraw/zinc/93/78/80/374937880.db2.gz	BCRLWBAEDAPCGP-XLFHBGCDSA-N	0	3	256.327	1.451	50	5		CDBAHN
O=[N+]([O-])c1ccc2nc(N3CCNCC3)ccc2c1	ZINC000002530705	285148989	/nfs/dbraw/zinc/14/89/89/285148989.db2.gz	GGDBEAVVGFNWIA-UHFFFAOYSA-N	0	3	258.281	1.553	50	5	in-vivo	CDBAHN
COc1ccc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc1OC	ZINC000000094885	358669536	/nfs/dbraw/zinc/66/95/36/358669536.db2.gz	QQQDHBUWOFWZEF-NOZJJQNGSA-N	0	3	280.280	1.300	50	5		CDBAHN
O=[N+]([O-])c1ccccc1CN[C@H]1CC[C@H](O)CC1	ZINC000252701440	373173992	/nfs/dbraw/zinc/17/39/92/373173992.db2.gz	DELTZHFOMFJNKL-HAQNSBGRSA-N	0	3	250.298	1.988	50	5		CDBAHN
CN1CCC(NC(=S)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000005041944	170059456	/nfs/dbraw/zinc/05/94/56/170059456.db2.gz	UUGLFJMOUQLIAA-UHFFFAOYSA-N	0	3	294.380	1.975	50	5		CDBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCC[NH2+]CC1	ZINC000226461376	280100763	/nfs/dbraw/zinc/10/07/63/280100763.db2.gz	FHHZJANUXKSFJB-JTQLQIEISA-N	0	3	299.352	1.015	50	5		CDBAHN
COc1ccccc1[C@@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090841	295395675	/nfs/dbraw/zinc/39/56/75/295395675.db2.gz	XLHBDHDXTFIGJA-SKDRFNHKSA-N	0	3	250.254	1.292	50	5		CDBAHN
CN(C)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000004679110	357705117	/nfs/dbraw/zinc/70/51/17/357705117.db2.gz	ISIQCMCOHYSMMQ-UHFFFAOYSA-N	0	3	250.302	1.070	50	5		CDBAHN
CCOc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090882	358656501	/nfs/dbraw/zinc/65/65/01/358656501.db2.gz	QCTXZKINYPLXNX-ZWNOBZJWSA-N	0	3	264.281	1.682	50	5		CDBAHN
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCCCC1	ZINC000006059880	361222392	/nfs/dbraw/zinc/22/23/92/361222392.db2.gz	JEMQDFFQACGZGG-GFCCVEGCSA-N	0	3	280.324	1.820	50	5		CDBAHN
Cc1ccc(C(=O)NCCN(C)C)cc1[N+](=O)[O-]	ZINC000004590976	357073642	/nfs/dbraw/zinc/07/36/42/357073642.db2.gz	NRDREXDIENVEEF-UHFFFAOYSA-N	0	3	251.286	1.195	50	5		CDBAHN
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N2CCCCC2)cc1	ZINC000096027512	351475295	/nfs/dbraw/zinc/47/52/95/351475295.db2.gz	PJWKHFUUONPSEU-ZIAGYGMSSA-N	0	3	280.324	1.475	50	5		CDBAHN
CN(C(=O)Cc1ccccc1[N+](=O)[O-])C1CCN(C)CC1	ZINC000002625143	375276968	/nfs/dbraw/zinc/27/69/68/375276968.db2.gz	QUUCGDRLXJATEM-UHFFFAOYSA-N	0	3	291.351	1.690	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCNCC2)cc1N1CCCCC1	ZINC000004344178	285126352	/nfs/dbraw/zinc/12/63/52/285126352.db2.gz	IEZDTNCUMWPRTD-UHFFFAOYSA-N	0	3	290.367	1.995	50	5		CDBAHN
O=C(CN1CCNCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000005092628	170065707	/nfs/dbraw/zinc/06/57/07/170065707.db2.gz	PFYAUYIMWCFEFY-UHFFFAOYSA-N	0	3	298.730	1.092	50	5		CDBAHN
CN(CCN1CCCC1)C(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000013758068	365967714	/nfs/dbraw/zinc/96/77/14/365967714.db2.gz	IBOKJUAXDYEXAI-UHFFFAOYSA-N	0	3	291.351	1.692	50	5		CDBAHN
[NH3+][C@H]1CCC[C@@H]([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])C1	ZINC000124980945	344941173	/nfs/dbraw/zinc/94/11/73/344941173.db2.gz	RBTOVHWKCCAALK-VHSXEESVSA-N	0	3	299.352	1.143	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2ccccc2Cl)N1	ZINC000000090854	296330528	/nfs/dbraw/zinc/33/05/28/296330528.db2.gz	TYGMJKKENBLZGE-ONGXEEELSA-N	0	3	254.673	1.936	50	5		CDBAHN
CC(C)(C)NCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000012801752	361036885	/nfs/dbraw/zinc/03/68/85/361036885.db2.gz	XJVLJEVUXWJBTJ-UHFFFAOYSA-N	0	3	251.286	1.921	50	5		CDBAHN
O=[N+]([O-])c1cc(C(F)(F)F)ccc1OC1CNC1	ZINC000042770156	285086796	/nfs/dbraw/zinc/08/67/96/285086796.db2.gz	AQKLDHYNULJRLA-UHFFFAOYSA-N	0	3	262.187	1.964	50	5		CDBAHN
O=[N+]([O-])c1c(N2CCN3CCC[C@@H]3C2)nc2ccccn21	ZINC000024659946	275032682	/nfs/dbraw/zinc/03/26/82/275032682.db2.gz	HZIKEQWYTKADBL-LLVKDONJSA-N	0	3	287.323	1.527	50	5		CDBAHN
COc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090844	358654177	/nfs/dbraw/zinc/65/41/77/358654177.db2.gz	XLHBDHDXTFIGJA-BXKDBHETSA-N	0	3	250.254	1.292	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccc3c(c2)OCO3)N1	ZINC000000103381	358808053	/nfs/dbraw/zinc/80/80/53/358808053.db2.gz	FKMJJAMPPJQKFX-QPUJVOFHSA-N	0	3	264.237	1.012	50	5		CDBAHN
COc1cccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])c1OC	ZINC000000090316	169532905	/nfs/dbraw/zinc/53/29/05/169532905.db2.gz	UBUCSYPYCYYISP-SKDRFNHKSA-N	0	3	280.280	1.300	50	5		CDBAHN
O=[N+]([O-])c1cc(Cl)ccc1NCCNCCO	ZINC000004599020	357073973	/nfs/dbraw/zinc/07/39/73/357073973.db2.gz	JJNARJRYRLCABJ-UHFFFAOYSA-N	0	3	259.693	1.242	50	5		CDBAHN
[NH3+]C1(C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CCCC1	ZINC000595120161	343005719	/nfs/dbraw/zinc/00/57/19/343005719.db2.gz	PCUVAPRGVRYJQP-UHFFFAOYSA-N	0	3	299.352	1.145	50	5		CDBAHN
CN1CCN(Cc2c[nH]c3cc([N+](=O)[O-])ccc23)CC1	ZINC000328578030	345791866	/nfs/dbraw/zinc/79/18/66/345791866.db2.gz	LGTPLBQTVISMCH-UHFFFAOYSA-N	0	3	274.324	1.824	50	5		CDBAHN
Cc1ccc(OCCCN2CCN(C)CC2)c([N+](=O)[O-])c1	ZINC000003003518	375503821	/nfs/dbraw/zinc/50/38/21/375503821.db2.gz	SKLCLUKYEUBFIC-UHFFFAOYSA-N	0	3	293.367	1.920	50	5		CDBAHN
COc1ccc(OC)c([C@@H]2NC(=O)CCC2[N+](=O)[O-])c1	ZINC000000115948	359098528	/nfs/dbraw/zinc/09/85/28/359098528.db2.gz	CVLKDXLRWZVGRV-MFKMUULPSA-N	0	3	280.280	1.300	50	5		CDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCN1	ZINC000004179345	375902577	/nfs/dbraw/zinc/90/25/77/375902577.db2.gz	MKUHRNFZJODRNV-MRVPVSSYSA-N	0	3	266.257	1.301	50	5		CDBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-][C@H]1CCCC[NH2+]C1	ZINC000070120607	361577574	/nfs/dbraw/zinc/57/75/74/361577574.db2.gz	SHBVJEHJRUFJQJ-JTQLQIEISA-N	0	3	299.352	1.015	50	5		CDBAHN
CC(=O)Nc1cc(NCCN(C)C)c(F)cc1[N+](=O)[O-]	ZINC000012990162	373905494	/nfs/dbraw/zinc/90/54/94/373905494.db2.gz	CTGFFBIKZBHELV-UHFFFAOYSA-N	0	3	284.291	1.666	50	5		CDBAHN
NCc1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1	ZINC000034960524	364335205	/nfs/dbraw/zinc/33/52/05/364335205.db2.gz	SMDKQNDCGNOVLS-UHFFFAOYSA-N	0	3	250.176	1.995	50	5		CDBAHN
CC(C)C[C@@H](N)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004521637	390210933	/nfs/dbraw/zinc/21/09/33/390210933.db2.gz	AXZJHDNQDSVIDR-LLVKDONJSA-N	0	3	251.286	1.907	50	5		CDBAHN
[NH3+]C1CCC([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000051693347	527141922	/nfs/dbraw/zinc/14/19/22/527141922.db2.gz	VRDNQBUFINZSTP-UHFFFAOYSA-N	0	3	299.352	1.143	50	5		CDBAHN
O=C1C[C@H](NCC2CC2)C(=O)N1c1ccc([N+](=O)[O-])cc1	ZINC000095630533	185016854	/nfs/dbraw/zinc/01/68/54/185016854.db2.gz	DCVWSFBEAZLFSA-LBPRGKRZSA-N	0	3	289.291	1.226	50	5		CDBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H](C)N1	ZINC000004321355	390195076	/nfs/dbraw/zinc/19/50/76/390195076.db2.gz	ODAGIQIWCQSUQH-IUCAKERBSA-N	0	3	280.284	1.690	50	5		CDBAHN
Cc1ccnc(NC[C@@H](O)CN2CCCCC2)c1[N+](=O)[O-]	ZINC000115515921	186675133	/nfs/dbraw/zinc/67/51/33/186675133.db2.gz	PLRVYEYYQYNZJO-GFCCVEGCSA-N	0	3	294.355	1.557	50	5		CDBAHN
COC(=O)c1ccc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc1	ZINC000000103417	358807902	/nfs/dbraw/zinc/80/79/02/358807902.db2.gz	UVXBSXLPWBAFPP-JQWIXIFHSA-N	0	3	278.264	1.070	50	5		CDBAHN
CN(C)CCNC(=O)c1cccc(Cl)c1[N+](=O)[O-]	ZINC000095972961	375044914	/nfs/dbraw/zinc/04/49/14/375044914.db2.gz	QGDNXERWHSNGAY-UHFFFAOYSA-N	0	3	271.704	1.540	50	5		CDBAHN
C[C@@H](NCCn1ccc([N+](=O)[O-])n1)c1ccncc1	ZINC000097084011	375145203	/nfs/dbraw/zinc/14/52/03/375145203.db2.gz	XGPNHBGBIBKVCG-SNVBAGLBSA-N	0	3	261.285	1.537	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2ccccc2Cl)N1	ZINC000000090864	296326301	/nfs/dbraw/zinc/32/63/01/296326301.db2.gz	TYGMJKKENBLZGE-MWLCHTKSSA-N	0	3	254.673	1.936	50	5		CDBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]C[C@@H]1CCCC[NH2+]1	ZINC000044492450	175180976	/nfs/dbraw/zinc/18/09/76/175180976.db2.gz	PESMKRWYIIHDOL-JTQLQIEISA-N	0	3	299.352	1.015	50	5		CDBAHN
O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCNCC1	ZINC000004358782	275035997	/nfs/dbraw/zinc/03/59/97/275035997.db2.gz	ZDKRZHDONYTTIP-UHFFFAOYSA-N	0	3	276.340	1.605	50	5		CDBAHN
C[N+]1(CCOC(=O)c2ccc([O-])cc2O)CCCCC1	ZINC000000492442	365665029	/nfs/dbraw/zinc/66/50/29/365665029.db2.gz	NWJQFDHXMIJTKQ-UHFFFAOYSA-O	0	3	280.344	1.885	50	5		CDBAHN
CCN(CC)CCn1cc([N+](=O)[O-])cc(C)c1=O	ZINC000096778504	185111904	/nfs/dbraw/zinc/11/19/04/185111904.db2.gz	UPRAOOFNWZNLCQ-UHFFFAOYSA-N	0	3	253.302	1.407	50	5		CDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@@H](C)N1	ZINC000004321356	274364637	/nfs/dbraw/zinc/36/46/37/274364637.db2.gz	ODAGIQIWCQSUQH-RKDXNWHRSA-N	0	3	280.284	1.690	50	5		CDBAHN
C[C@H](Cn1cncn1)N[C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000095421202	279389328	/nfs/dbraw/zinc/38/93/28/279389328.db2.gz	SHMWKPQQPHAEOH-MNOVXSKESA-N	0	3	275.312	1.926	50	5		CDBAHN
Cc1ccnc(N2C[C@H]3CCN(C)C[C@H]3C2)c1[N+](=O)[O-]	ZINC000585092356	362013523	/nfs/dbraw/zinc/01/35/23/362013523.db2.gz	RHVIFJPCVACWDJ-NEPJUHHUSA-N	0	3	276.340	1.686	50	5		CDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cc3c(cc2Cl)OCO3)N1	ZINC000000089568	358394459	/nfs/dbraw/zinc/39/44/59/358394459.db2.gz	ISQNUCJEUYXRGA-UFBFGSQYSA-N	0	3	298.682	1.665	50	5		CDBAHN
COc1ccccc1[C@H]1NC(=O)CCC1[N+](=O)[O-]	ZINC000000090837	358654247	/nfs/dbraw/zinc/65/42/47/358654247.db2.gz	XLHBDHDXTFIGJA-JOYOIKCWSA-N	0	3	250.254	1.292	50	5		CDBAHN
CN(C)CCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003154224	375562976	/nfs/dbraw/zinc/56/29/76/375562976.db2.gz	LKPYPWIZCULEMC-UHFFFAOYSA-N	0	3	283.240	1.221	50	5		CDBAHN