smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001905807	194154540	/nfs/dbraw/zinc/15/45/40/194154540.db2.gz	YVCDCXUEPGGYPN-FGZHOGPDSA-N	0	1	495.488	4.655	50	5		JJBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1	ZINC000003017610	194207626	/nfs/dbraw/zinc/20/76/26/194207626.db2.gz	IECBSXRDPZUGTE-UHFFFAOYSA-N	0	1	489.937	4.927	50	5		JJBAMN
COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])c(Cl)cc2Cl)cc1	ZINC000016115248	524687057	/nfs/dbraw/zinc/68/70/57/524687057.db2.gz	YLQOYJSIZUCJSB-UHFFFAOYSA-N	0	1	496.328	4.963	50	5		JJBAMN
O=C(C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1	ZINC000002708972	554296703	/nfs/dbraw/zinc/29/67/03/554296703.db2.gz	DRCMXWQKNRRROD-OAQYLSRUSA-N	0	1	459.531	4.920	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cccc(C)c3)C2=O)[C@@H]1CCC	ZINC000009015685	554865923	/nfs/dbraw/zinc/86/59/23/554865923.db2.gz	QTRGXRJXNDGICW-BKMJKUGQSA-N	0	1	478.549	4.708	50	5		JJBAMN
CCOc1cc(-c2nnc(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])o2)cc(OCC)c1OCC	ZINC000009274817	555047546	/nfs/dbraw/zinc/04/75/46/555047546.db2.gz	WJTXDRVOSROIQN-UHFFFAOYSA-N	0	1	476.873	4.747	50	5		JJBAMN
CCCCOCCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000009561714	555360179	/nfs/dbraw/zinc/36/01/79/555360179.db2.gz	DJUXHVLBFJGHKY-HXUWFJFHSA-N	0	1	464.360	4.834	50	5		JJBAMN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000015974151	556097335	/nfs/dbraw/zinc/09/73/35/556097335.db2.gz	SNKFEHHUNLAZGK-JOCHJYFZSA-N	0	1	458.430	4.504	50	5	aggregator	JJBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018091240	556286634	/nfs/dbraw/zinc/28/66/34/556286634.db2.gz	OFCILHBPDUWKEH-ZLNRFVROSA-N	0	1	477.904	4.862	50	5		JJBAMN
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc([N+](=O)[O-])c1O	ZINC000035132479	569675551	/nfs/dbraw/zinc/67/55/51/569675551.db2.gz	GWJVIADYVQTXQI-FRKPEAEDSA-N	0	1	452.847	4.728	50	5		JJBAMN
O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000035894714	569723033	/nfs/dbraw/zinc/72/30/33/569723033.db2.gz	YZRXQBPJRCVTGB-ZCYQVOJMSA-N	0	1	494.954	4.889	50	5		JJBAMN
Cc1ccc(C(=O)NCC2CCCCC2)c(C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1	ZINC000037554528	569794797	/nfs/dbraw/zinc/79/47/97/569794797.db2.gz	VRYWNPHZBRNVDD-UHFFFAOYSA-N	0	1	450.583	4.988	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000229997850	570043179	/nfs/dbraw/zinc/04/31/79/570043179.db2.gz	RYAHVHBGHKSZTJ-ZEZDXWPOSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000229997850	570043180	/nfs/dbraw/zinc/04/31/80/570043180.db2.gz	RYAHVHBGHKSZTJ-ZEZDXWPOSA-N	0	1	491.503	4.968	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001283827	194081551	/nfs/dbraw/zinc/08/15/51/194081551.db2.gz	JRFSHHLPTAEDLE-LJQANCHMSA-N	0	1	485.953	4.984	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000001283826	194081603	/nfs/dbraw/zinc/08/16/03/194081603.db2.gz	JRFSHHLPTAEDLE-IBGZPJMESA-N	0	1	485.953	4.984	50	5		JJBAMN
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)cc2)n1	ZINC000001637100	194129999	/nfs/dbraw/zinc/12/99/99/194129999.db2.gz	JZORTXZNIMHWFA-UHFFFAOYSA-N	0	1	482.547	4.670	50	5		JJBAMN
COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O	ZINC000035201092	521954154	/nfs/dbraw/zinc/95/41/54/521954154.db2.gz	OOEOISBCHINLQE-VIZOYTHASA-N	0	1	455.275	4.852	50	5		JJBAMN
Cc1ccccc1N1C(=O)NC(=O)[C@@](CCc2ccncc2)(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000016293668	525220938	/nfs/dbraw/zinc/22/09/38/525220938.db2.gz	ITAFIELWQRRAIS-RUZDIDTESA-N	0	1	458.474	4.583	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)[C@@H]1CCC	ZINC000009009870	554863486	/nfs/dbraw/zinc/86/34/86/554863486.db2.gz	NFBWHXRHXJKGAQ-BKMJKUGQSA-N	0	1	478.549	4.708	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)[C@@H]1CCC	ZINC000009009871	554863530	/nfs/dbraw/zinc/86/35/30/554863530.db2.gz	NFBWHXRHXJKGAQ-NVQXNPDNSA-N	0	1	478.549	4.708	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1CCC	ZINC000009452826	555224578	/nfs/dbraw/zinc/22/45/78/555224578.db2.gz	AEFDHDCVJCRGQK-HOFKKMOUSA-N	0	1	492.576	4.812	50	5		JJBAMN
CCCn1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009942510	195030163	/nfs/dbraw/zinc/03/01/63/195030163.db2.gz	CYZOCLYTSNBHHO-UHFFFAOYSA-N	0	1	465.554	4.748	50	5		JJBAMN
Cc1cc(C)c(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008974176	554845553	/nfs/dbraw/zinc/84/55/53/554845553.db2.gz	MZWGTVWFVAWHQR-CJFMBICVSA-N	0	1	462.506	4.545	50	5		JJBAMN
O=C(Nc1ccc(F)cc1F)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009096961	554895561	/nfs/dbraw/zinc/89/55/61/554895561.db2.gz	YDSDPQFCIQFUPP-UHFFFAOYSA-N	0	1	467.837	4.580	50	5		JJBAMN
CCCCCC(=O)Nc1ccc(S(=O)(=O)Nc2nccc(/C=C/c3cccc([N+](=O)[O-])c3)n2)cc1	ZINC000009311953	555088534	/nfs/dbraw/zinc/08/85/34/555088534.db2.gz	ZFMWFUYXJHHUAG-MDZDMXLPSA-N	0	1	495.561	4.875	50	5		JJBAMN
CSc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000009335495	555102917	/nfs/dbraw/zinc/10/29/17/555102917.db2.gz	WWTARPOZAJYZNQ-UHFFFAOYSA-N	0	1	457.533	4.678	50	5		JJBAMN
CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1c1ccccc1	ZINC000009510905	555300354	/nfs/dbraw/zinc/30/03/54/555300354.db2.gz	PNYRIVWWRCNSJU-RBJSKKJNSA-N	0	1	498.539	4.605	50	5		JJBAMN
COc1ccc(Nc2ccc(S(=O)(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])cc1OC	ZINC000009633006	555335342	/nfs/dbraw/zinc/33/53/42/555335342.db2.gz	ZOTJFVPRFPNEHP-UHFFFAOYSA-N	0	1	495.460	4.758	50	5		JJBAMN
CCN(CC)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1OC	ZINC000009714838	555445362	/nfs/dbraw/zinc/44/53/62/555445362.db2.gz	VQDPASUUVWTUCA-UHFFFAOYSA-N	0	1	498.561	4.503	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(Cl)cc3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133623	555657906	/nfs/dbraw/zinc/65/79/06/555657906.db2.gz	VEZPJXCRXISNIH-LJQANCHMSA-N	0	1	485.953	4.984	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(C)cc3C)nn2[C@H]1c1ccccc1[N+](=O)[O-]	ZINC000020134008	555658435	/nfs/dbraw/zinc/65/84/35/555658435.db2.gz	JVPJSDNZNBECES-NRFANRHFSA-N	0	1	479.562	4.947	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(Cl)c3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020181712	555689296	/nfs/dbraw/zinc/68/92/96/555689296.db2.gz	VBBIYCGDYYBVAZ-IBGZPJMESA-N	0	1	485.953	4.984	50	5		JJBAMN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212988	555706846	/nfs/dbraw/zinc/70/68/46/555706846.db2.gz	OPYHJFHPOYWFBC-QFIPXVFZSA-N	0	1	458.430	4.504	50	5		JJBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1cc2cc(Br)cc(Br)c2o1	ZINC000015906455	556063663	/nfs/dbraw/zinc/06/36/63/556063663.db2.gz	DPLLQWDTFJSYHT-UHFFFAOYSA-N	0	1	456.046	4.824	50	5		JJBAMN
CC(C)CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@H]1C(C)C	ZINC000017028253	556207378	/nfs/dbraw/zinc/20/73/78/556207378.db2.gz	QABPEIJJCONUHH-BWKNWUBXSA-N	0	1	464.522	4.748	50	5		JJBAMN
Cc1ccc(C(=O)N2CCc3ccccc3C2)c(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000037554546	569794832	/nfs/dbraw/zinc/79/48/32/569794832.db2.gz	OHSDANIXNHDLRT-UHFFFAOYSA-N	0	1	470.573	4.876	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000102087821	569809582	/nfs/dbraw/zinc/80/95/82/569809582.db2.gz	XRYDYBKKKRWOKG-UWPQIUOOSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000102087821	569809585	/nfs/dbraw/zinc/80/95/85/569809585.db2.gz	XRYDYBKKKRWOKG-UWPQIUOOSA-N	0	1	491.503	4.968	50	5		JJBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102758499	569821565	/nfs/dbraw/zinc/82/15/65/569821565.db2.gz	OFCILHBPDUWKEH-DNVJHFABSA-N	0	1	477.904	4.862	50	5		JJBAMN
CCCC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340259	521106094	/nfs/dbraw/zinc/10/60/94/521106094.db2.gz	OTCCBLCJRVBASS-RUZDIDTESA-N	0	1	489.620	4.624	50	5		JJBAMN
CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O	ZINC000008971007	554843793	/nfs/dbraw/zinc/84/37/93/554843793.db2.gz	NADLGOPYIYUZPN-PGRDOPGGSA-N	0	1	456.886	4.519	50	5		JJBAMN
COc1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1	ZINC000009540101	555332647	/nfs/dbraw/zinc/33/26/47/555332647.db2.gz	JMKGQLROMAQDLU-AWNIVKPZSA-N	0	1	487.921	4.710	50	5		JJBAMN
COc1ccc([C@H](CNc2nn3c(=O)c4c(C)c(C)sc4nc3c3ccccc23)N(C)C)cc1	ZINC000009685047	555413986	/nfs/dbraw/zinc/41/39/86/555413986.db2.gz	NICVPYGATRFFPB-NRFANRHFSA-N	0	1	473.602	4.798	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3C)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133613	555657934	/nfs/dbraw/zinc/65/79/34/555657934.db2.gz	GDFHCAOUCMOMTA-HXUWFJFHSA-N	0	1	465.535	4.639	50	5		JJBAMN
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)NC(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000016995462	556198981	/nfs/dbraw/zinc/19/89/81/556198981.db2.gz	VIIUZRFDNPKPBJ-JGPAKYNOSA-N	0	1	468.897	4.519	50	5		JJBAMN
CCN1CCN(c2nn3c(=O)c4c(-c5ccc(Cl)cc5)csc4nc3c3ccccc32)CC1	ZINC000008735707	569602055	/nfs/dbraw/zinc/60/20/55/569602055.db2.gz	UJCDXXCDPBPGSD-UHFFFAOYSA-N	0	1	476.005	4.920	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102705873	569816451	/nfs/dbraw/zinc/81/64/51/569816451.db2.gz	RYAHVHBGHKSZTJ-ALTZYDRJSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102705873	569816452	/nfs/dbraw/zinc/81/64/52/569816452.db2.gz	RYAHVHBGHKSZTJ-ALTZYDRJSA-N	0	1	491.503	4.968	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3)C2=O)[C@H]1CCC	ZINC000102771950	569823495	/nfs/dbraw/zinc/82/34/95/569823495.db2.gz	NFBWHXRHXJKGAQ-ATIYNZHBSA-N	0	1	478.549	4.504	50	5		JJBAMN
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000104119376	569841132	/nfs/dbraw/zinc/84/11/32/569841132.db2.gz	RXNRGZURASBQFP-ILBGXUMGSA-N	0	1	479.558	4.692	50	5		JJBAMN
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000104119376	569841133	/nfs/dbraw/zinc/84/11/33/569841133.db2.gz	RXNRGZURASBQFP-ILBGXUMGSA-N	0	1	479.558	4.692	50	5		JJBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000230047440	570044146	/nfs/dbraw/zinc/04/41/46/570044146.db2.gz	GRLANHLPWDMAJR-WMZHIEFXSA-N	0	1	468.897	4.663	50	5		JJBAMN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3[N+](=O)[O-])ccc2Cl)cc1C	ZINC000016212872	525296168	/nfs/dbraw/zinc/29/61/68/525296168.db2.gz	YNHAPUOUZOLUKT-UHFFFAOYSA-N	0	1	459.911	4.918	50	5		JJBAMN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1	ZINC000016115451	527437098	/nfs/dbraw/zinc/43/70/98/527437098.db2.gz	YBKIIZMDHNBNFG-UHFFFAOYSA-N	0	1	466.302	4.955	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3Cl)C2=O)[C@@H]1CCC	ZINC000009446743	555219902	/nfs/dbraw/zinc/21/99/02/555219902.db2.gz	SGWKIXWUNBOLGB-SQJMNOBHSA-N	0	1	498.967	4.849	50	5		JJBAMN
COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1	ZINC000009689760	555416790	/nfs/dbraw/zinc/41/67/90/555416790.db2.gz	OSNNBTGUSQUQTE-UHFFFAOYSA-N	0	1	498.746	4.535	50	5		JJBAMN
COc1cc([C@@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc([N+](=O)[O-])c1O	ZINC000019843152	555509554	/nfs/dbraw/zinc/50/95/54/555509554.db2.gz	MPHGOCBNRDVBTO-JOCHJYFZSA-N	0	1	489.513	4.956	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000013647284	555551723	/nfs/dbraw/zinc/55/17/23/555551723.db2.gz	RYAHVHBGHKSZTJ-QXTIUPHPSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000013647284	555551728	/nfs/dbraw/zinc/55/17/28/555551728.db2.gz	RYAHVHBGHKSZTJ-QXTIUPHPSA-N	0	1	491.503	4.968	50	5		JJBAMN
COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@H]3C(C)C)C2=O)cc1	ZINC000033821857	569635741	/nfs/dbraw/zinc/63/57/41/569635741.db2.gz	RZBDQFIMCYYPGM-NVQXNPDNSA-N	0	1	494.548	4.756	50	5		JJBAMN
COc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000034726001	569652759	/nfs/dbraw/zinc/65/27/59/569652759.db2.gz	ZDYSZWLILQIEQW-UHFFFAOYSA-N	0	1	474.561	4.616	50	5		JJBAMN
Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000034725810	569652812	/nfs/dbraw/zinc/65/28/12/569652812.db2.gz	HIERLCMGRLEEDM-UHFFFAOYSA-N	0	1	458.562	4.916	50	5		JJBAMN
Cc1cccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)c1	ZINC000245327290	570065161	/nfs/dbraw/zinc/06/51/61/570065161.db2.gz	NYFPBKFQGJVFRA-BKMJKUGQSA-N	0	1	470.485	4.747	50	5		JJBAMN
COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccc(C)cc3)nc21	ZINC000003200807	194238135	/nfs/dbraw/zinc/23/81/35/194238135.db2.gz	YTYSVGDGGATVIX-UHFFFAOYSA-N	0	1	498.542	4.575	50	5		JJBAMN
Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000003200694	194238151	/nfs/dbraw/zinc/23/81/51/194238151.db2.gz	NSANSAUJMJYFGT-UHFFFAOYSA-N	0	1	468.516	4.566	50	5		JJBAMN
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(C)C)c(S(=O)(=O)c2ccccc2)c1O	ZINC000003620702	194341945	/nfs/dbraw/zinc/34/19/45/194341945.db2.gz	SKDLEURRFWFESY-UHFFFAOYSA-N	0	1	454.504	4.817	50	5		JJBAMN
CCN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(Cl)cc4)c4ccccc4c3=O)c2)CC1	ZINC000009891920	195015615	/nfs/dbraw/zinc/01/56/15/195015615.db2.gz	NTYAFQMQKICMGZ-UHFFFAOYSA-N	0	1	489.963	4.756	50	5		JJBAMN
CCc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)cc1	ZINC000009949354	195032394	/nfs/dbraw/zinc/03/23/94/195032394.db2.gz	HSSIZKDQLVPMEL-UHFFFAOYSA-N	0	1	466.548	4.797	50	5		JJBAMN
O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2ccccc2)c(Cl)cc1Cl	ZINC000016115348	527436495	/nfs/dbraw/zinc/43/64/95/527436495.db2.gz	QJZGZWCTQRJSAV-UHFFFAOYSA-N	0	1	466.302	4.955	50	5		JJBAMN
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974645	554846051	/nfs/dbraw/zinc/84/60/51/554846051.db2.gz	GRLANHLPWDMAJR-XXBNENTESA-N	0	1	468.897	4.663	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(C)cc3C)nn2[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000020134024	555658462	/nfs/dbraw/zinc/65/84/62/555658462.db2.gz	FIOHHHDNJSDHFS-OAQYLSRUSA-N	0	1	479.562	4.947	50	5		JJBAMN
COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)nc21	ZINC000012140831	555919890	/nfs/dbraw/zinc/91/98/90/555919890.db2.gz	GYXYDLDOOKKSIZ-UHFFFAOYSA-N	0	1	470.576	4.945	50	5		JJBAMN
Cc1ccccc1CN1CCN(c2c3ccccc3n(-c3ccccc3)c(=O)c2[N+](=O)[O-])CC1	ZINC000023230371	556032719	/nfs/dbraw/zinc/03/27/19/556032719.db2.gz	XVGZPBBNJRNVBB-UHFFFAOYSA-N	0	1	454.530	4.530	50	5		JJBAMN
Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1	ZINC000016956927	556187617	/nfs/dbraw/zinc/18/76/17/556187617.db2.gz	LVGUGHMMFOGLPS-NVQXNPDNSA-N	0	1	470.485	4.747	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3C)C2=O)[C@H]1CCC	ZINC000016975259	556193563	/nfs/dbraw/zinc/19/35/63/556193563.db2.gz	BNPAIHBRPUINEB-GJZUVCINSA-N	0	1	478.549	4.708	50	5		JJBAMN
CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@H]1c1ccccc1	ZINC000016976237	556193937	/nfs/dbraw/zinc/19/39/37/556193937.db2.gz	XLJRKLBIWWKJAI-BWKNWUBXSA-N	0	1	474.448	4.577	50	5		JJBAMN
CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)n2)cc1	ZINC000013113055	556316484	/nfs/dbraw/zinc/31/64/84/556316484.db2.gz	ZTZVKTJBXXLPDL-UHFFFAOYSA-N	0	1	451.430	4.692	50	5		JJBAMN
CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21	ZINC000096523425	569740835	/nfs/dbraw/zinc/74/08/35/569740835.db2.gz	WEXYZVDLFROMLB-UHFFFAOYSA-N	0	1	498.587	4.535	50	5		JJBAMN
O=C1C2=C(c3ccc([N+](=O)[O-])cc3)NN(c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1	ZINC000103590964	569836383	/nfs/dbraw/zinc/83/63/83/569836383.db2.gz	SUFMMOGATWGVPE-FPOVZHCZSA-N	0	1	481.295	4.684	50	5		JJBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000009896617	195017159	/nfs/dbraw/zinc/01/71/59/195017159.db2.gz	JWZUSIAUXCGFQA-QFIPXVFZSA-N	0	1	465.531	4.681	50	5		JJBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3Cc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000012604717	195049876	/nfs/dbraw/zinc/04/98/76/195049876.db2.gz	FSFZWKAKIPYXBG-JOCHJYFZSA-N	0	1	479.558	4.551	50	5		JJBAMN
CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21	ZINC000046007432	523191241	/nfs/dbraw/zinc/19/12/41/523191241.db2.gz	DLTYUZOKSKJYFA-UHFFFAOYSA-N	0	1	498.587	4.535	50	5		JJBAMN
Cc1cccc(N2C(=O)NC(=O)[C@](CCc3ccncc3)(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000016293406	524534120	/nfs/dbraw/zinc/53/41/20/524534120.db2.gz	AKUSGWWYFQHBJF-VWLOTQADSA-N	0	1	458.474	4.583	50	5		JJBAMN
Cc1oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OC(C)C	ZINC000008871916	554767821	/nfs/dbraw/zinc/76/78/21/554767821.db2.gz	YBDKZJZBKSWIKK-UHFFFAOYSA-N	0	1	452.872	4.669	50	5		JJBAMN
CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc([N+](=O)[O-])c1O	ZINC000009232725	555005010	/nfs/dbraw/zinc/00/50/10/555005010.db2.gz	PYSQHDWYBFNPHS-PXNMLYILSA-N	0	1	452.847	4.728	50	5		JJBAMN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000013140330	555337074	/nfs/dbraw/zinc/33/70/74/555337074.db2.gz	RXNRGZURASBQFP-UKILVPOCSA-N	0	1	479.558	4.692	50	5		JJBAMN
COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1	ZINC000009587025	555398369	/nfs/dbraw/zinc/39/83/69/555398369.db2.gz	NDERVYNTMZYUJU-UHFFFAOYSA-N	0	1	496.328	4.963	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000013646160	555550552	/nfs/dbraw/zinc/55/05/52/555550552.db2.gz	XRYDYBKKKRWOKG-QXTIUPHPSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000013646160	555550555	/nfs/dbraw/zinc/55/05/55/555550555.db2.gz	XRYDYBKKKRWOKG-QXTIUPHPSA-N	0	1	491.503	4.968	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(Cl)cc3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133626	555657901	/nfs/dbraw/zinc/65/79/01/555657901.db2.gz	VEZPJXCRXISNIH-IBGZPJMESA-N	0	1	485.953	4.984	50	5		JJBAMN
Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000015796362	556007174	/nfs/dbraw/zinc/00/71/74/556007174.db2.gz	RDSQXJCYTVZSKD-UHFFFAOYSA-N	0	1	459.911	4.918	50	5		JJBAMN
O=C(NCCc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012569659	556072873	/nfs/dbraw/zinc/07/28/73/556072873.db2.gz	OBQFXAJDMGTGBX-UHFFFAOYSA-N	0	1	494.356	4.675	50	5		JJBAMN
CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@H]1c1ccccc1	ZINC000017028041	556207373	/nfs/dbraw/zinc/20/73/73/556207373.db2.gz	ZGTMASBEDXBCCC-GJZUVCINSA-N	0	1	470.485	4.828	50	5		JJBAMN
O=C(Nc1ccc(N2CCCN(Cc3ccc([N+](=O)[O-])cc3)CC2)nc1)Nc1ccc(F)cc1F	ZINC000034682101	569643765	/nfs/dbraw/zinc/64/37/65/569643765.db2.gz	SYUSRTAMOGDEMD-UHFFFAOYSA-N	0	1	482.491	4.624	50	5		JJBAMN
O=C(Nc1c2ccccc2oc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1)c1ccc([N+](=O)[O-])o1	ZINC000065329810	569674826	/nfs/dbraw/zinc/67/48/26/569674826.db2.gz	JYEARRYPIRIKRS-MRXNPFEDSA-N	0	1	479.445	4.601	50	5		JJBAMN
Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(Cc3ccccc3[N+](=O)[O-])CC2)n1	ZINC000037554277	569794564	/nfs/dbraw/zinc/79/45/64/569794564.db2.gz	FRCOGDGUODBITH-UHFFFAOYSA-N	0	1	462.525	4.747	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000239433439	570052271	/nfs/dbraw/zinc/05/22/71/570052271.db2.gz	XRYDYBKKKRWOKG-ZEZDXWPOSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000239433439	570052272	/nfs/dbraw/zinc/05/22/72/570052272.db2.gz	XRYDYBKKKRWOKG-ZEZDXWPOSA-N	0	1	491.503	4.968	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[C@@H]1CCC	ZINC000009487481	520598166	/nfs/dbraw/zinc/59/81/66/520598166.db2.gz	RXGPWAZNXKNXFK-SQJMNOBHSA-N	0	1	498.967	4.849	50	5		JJBAMN
Cc1oc2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2c1C(=O)OCc1ccccc1	ZINC000004149944	526782737	/nfs/dbraw/zinc/78/27/37/526782737.db2.gz	GMUXZWLUACOROC-UHFFFAOYSA-N	0	1	466.471	4.807	50	5		JJBAMN
O=C(Nc1c2ccccc2oc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1)c1ccc([N+](=O)[O-])o1	ZINC000065329809	527094147	/nfs/dbraw/zinc/09/41/47/527094147.db2.gz	JYEARRYPIRIKRS-INIZCTEOSA-N	0	1	479.445	4.601	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)[C@@H]1CCC	ZINC000009187065	554959476	/nfs/dbraw/zinc/95/94/76/554959476.db2.gz	KWNCGDRNOUNLFZ-WNCULLNHSA-N	0	1	492.576	4.812	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3Cl)C2=O)[C@@H]1CCC	ZINC000009446745	555219907	/nfs/dbraw/zinc/21/99/07/555219907.db2.gz	SGWKIXWUNBOLGB-OFVILXPXSA-N	0	1	498.967	4.849	50	5		JJBAMN
COc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@@H]3C(C)C)C2=O)cc1	ZINC000015023553	555864287	/nfs/dbraw/zinc/86/42/87/555864287.db2.gz	RZBDQFIMCYYPGM-ATIYNZHBSA-N	0	1	494.548	4.756	50	5		JJBAMN
O=C(NC[C@@H](c1ccco1)N1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000015477169	555910529	/nfs/dbraw/zinc/91/05/29/555910529.db2.gz	JDOMWHIWYOGURP-NRFANRHFSA-N	0	1	494.514	4.766	50	5		JJBAMN
O=C(NC[C@H](c1ccco1)N1CCCCC1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000015477167	555910538	/nfs/dbraw/zinc/91/05/38/555910538.db2.gz	JDOMWHIWYOGURP-OAQYLSRUSA-N	0	1	494.514	4.766	50	5		JJBAMN
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000015840235	556023372	/nfs/dbraw/zinc/02/33/72/556023372.db2.gz	SHAWJCFJWYNRCS-UHFFFAOYSA-N	0	1	475.910	4.618	50	5		JJBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000018080552	556284685	/nfs/dbraw/zinc/28/46/85/556284685.db2.gz	VGZLNELXZVIVMT-VSKRKVRLSA-N	0	1	463.877	4.608	50	5		JJBAMN
Cc1ccc(C(=O)NCc2ccc(F)cc2)c(C2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000037554367	569794594	/nfs/dbraw/zinc/79/45/94/569794594.db2.gz	KROYLJBGSMUFIE-UHFFFAOYSA-N	0	1	462.525	4.747	50	5		JJBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000102755087	569821361	/nfs/dbraw/zinc/82/13/61/569821361.db2.gz	VGZLNELXZVIVMT-YPAWHYETSA-N	0	1	463.877	4.608	50	5		JJBAMN
Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)cc1	ZINC000245326831	570064955	/nfs/dbraw/zinc/06/49/55/570064955.db2.gz	LVGUGHMMFOGLPS-BKMJKUGQSA-N	0	1	470.485	4.747	50	5		JJBAMN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2ccc(F)cc2)c1	ZINC000001021424	194004364	/nfs/dbraw/zinc/00/43/64/194004364.db2.gz	SLZJHYBHDDKEHS-UHFFFAOYSA-N	0	1	494.298	4.550	50	5		JJBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1	ZINC000001066373	194014405	/nfs/dbraw/zinc/01/44/05/194014405.db2.gz	MVLRHLZMRMWXEM-UHFFFAOYSA-N	0	1	489.937	4.927	50	5		JJBAMN
O=C(Nc1ccc(Cl)cc1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl	ZINC000001196957	194067669	/nfs/dbraw/zinc/06/76/69/194067669.db2.gz	IHQNRMOGVHNSEY-UHFFFAOYSA-N	0	1	466.302	4.955	50	5		JJBAMN
CCOC(=O)c1c2c(sc1NC(=O)CN[C@@H]1CCCc3c4cc([N+](=O)[O-])ccc4[nH]c31)CCCC2	ZINC000002840302	554372247	/nfs/dbraw/zinc/37/22/47/554372247.db2.gz	CHMKWJWVCGWKPF-LJQANCHMSA-N	0	1	496.589	4.799	50	5		JJBAMN
CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1cccc(Cl)c1)C2=O	ZINC000008973836	554845228	/nfs/dbraw/zinc/84/52/28/554845228.db2.gz	NADLGOPYIYUZPN-XMSQKQJNSA-N	0	1	456.886	4.519	50	5		JJBAMN
Cc1cc(C)c(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4CCCC[C@@H]43)C2=O)c(C)c1	ZINC000008974178	554845843	/nfs/dbraw/zinc/84/58/43/554845843.db2.gz	MZWGTVWFVAWHQR-NLFFAJNJSA-N	0	1	462.506	4.545	50	5		JJBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1	ZINC000009355979	555120674	/nfs/dbraw/zinc/12/06/74/555120674.db2.gz	OVQKUIULOHADAP-UHFFFAOYSA-N	0	1	475.910	4.618	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)[C@@H]1CCC	ZINC000009510505	555300090	/nfs/dbraw/zinc/30/00/90/555300090.db2.gz	QFGSOVFGTYDQQW-WNCULLNHSA-N	0	1	492.576	4.812	50	5		JJBAMN
O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000009689937	555417000	/nfs/dbraw/zinc/41/70/00/555417000.db2.gz	UJNZKGOEFGWIRI-UHFFFAOYSA-N	0	1	468.720	4.527	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(C)cc3C)nn2[C@@H]1c1ccccc1[N+](=O)[O-]	ZINC000020134005	555658477	/nfs/dbraw/zinc/65/84/77/555658477.db2.gz	JVPJSDNZNBECES-OAQYLSRUSA-N	0	1	479.562	4.947	50	5		JJBAMN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccccc2[N+](=O)[O-])cc1	ZINC000020212991	555706876	/nfs/dbraw/zinc/70/68/76/555706876.db2.gz	OPYHJFHPOYWFBC-JOCHJYFZSA-N	0	1	458.430	4.504	50	5		JJBAMN
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000095949702	569731305	/nfs/dbraw/zinc/73/13/05/569731305.db2.gz	ZIYDOIBKDOKCEW-IBGZPJMESA-N	0	1	478.980	4.982	50	5		JJBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101175927	569786088	/nfs/dbraw/zinc/78/60/88/569786088.db2.gz	OFCILHBPDUWKEH-ZRBLBEILSA-N	0	1	477.904	4.862	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000102087815	569809616	/nfs/dbraw/zinc/80/96/16/569809616.db2.gz	XRYDYBKKKRWOKG-ALTZYDRJSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccccc1	ZINC000102087815	569809618	/nfs/dbraw/zinc/80/96/18/569809618.db2.gz	XRYDYBKKKRWOKG-ALTZYDRJSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CC[N@@H+](Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677678	569868808	/nfs/dbraw/zinc/86/88/08/569868808.db2.gz	YZRXQBPJRCVTGB-NOZRDPDXSA-N	0	1	494.954	4.889	50	5		JJBAMN
O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@@H]12	ZINC000169677678	569868809	/nfs/dbraw/zinc/86/88/09/569868809.db2.gz	YZRXQBPJRCVTGB-NOZRDPDXSA-N	0	1	494.954	4.889	50	5		JJBAMN
Cc1cc(C(=O)c2ccc(Br)cc2)ccc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000001196940	194067653	/nfs/dbraw/zinc/06/76/53/194067653.db2.gz	FJNZZCJLQASAFV-UHFFFAOYSA-N	0	1	475.320	4.698	50	5		JJBAMN
CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000001905810	194154597	/nfs/dbraw/zinc/15/45/97/194154597.db2.gz	YVCDCXUEPGGYPN-FCHUYYIVSA-N	0	1	495.488	4.655	50	5		JJBAMN
CC(C)n1c(CN2CCCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000009942815	195030242	/nfs/dbraw/zinc/03/02/42/195030242.db2.gz	ILBFKKFGDLJYIA-UHFFFAOYSA-N	0	1	465.554	4.919	50	5		JJBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1	ZINC000002475746	527104740	/nfs/dbraw/zinc/10/47/40/527104740.db2.gz	IZWPYQVYNFHEET-PMACEKPBSA-N	0	1	499.376	4.505	50	5		JJBAMN
O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000002622947	554247169	/nfs/dbraw/zinc/24/71/69/554247169.db2.gz	CRHXSRJVGBKWNZ-UHFFFAOYSA-N	0	1	468.720	4.527	50	5		JJBAMN
CCN1CCN(c2nn3c(=O)c4c(-c5ccc(C)cc5)csc4nc3c3ccccc32)CC1	ZINC000008433120	554586715	/nfs/dbraw/zinc/58/67/15/554586715.db2.gz	JIMQHGKUYCRKRY-UHFFFAOYSA-N	0	1	455.587	4.575	50	5		JJBAMN
O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)cc2)cc1	ZINC000008856569	554752469	/nfs/dbraw/zinc/75/24/69/554752469.db2.gz	TWKYKPXALBPVMN-UHFFFAOYSA-N	0	1	497.617	4.662	50	5		JJBAMN
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN21	ZINC000008970946	554843667	/nfs/dbraw/zinc/84/36/67/554843667.db2.gz	RKCPGGHAUZDUES-ZRNYENFQSA-N	0	1	456.340	4.566	50	5		JJBAMN
Cc1ccccc1N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O	ZINC000009089992	554890924	/nfs/dbraw/zinc/89/09/24/554890924.db2.gz	SZIZUGUDGRYZFG-GJZUVCINSA-N	0	1	470.485	4.747	50	5		JJBAMN
O=C(Nc1ccc(SC(F)F)cc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000009097237	554896049	/nfs/dbraw/zinc/89/60/49/554896049.db2.gz	SWTFLYTZGHDRIY-UHFFFAOYSA-N	0	1	479.486	4.963	50	5		JJBAMN
COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc([N+](=O)[O-])c1O	ZINC000009295858	555072047	/nfs/dbraw/zinc/07/20/47/555072047.db2.gz	MIIWNTIRERQLCQ-UUASQNMZSA-N	0	1	455.275	4.852	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3C)C2=O)[C@@H]1CCC	ZINC000009447368	555220245	/nfs/dbraw/zinc/22/02/45/555220245.db2.gz	BNPAIHBRPUINEB-NVQXNPDNSA-N	0	1	478.549	4.504	50	5		JJBAMN
CCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1c1ccccc1	ZINC000009510906	555300392	/nfs/dbraw/zinc/30/03/92/555300392.db2.gz	PNYRIVWWRCNSJU-CUBQBAPOSA-N	0	1	498.539	4.605	50	5		JJBAMN
COc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(CC(C)C)[C@@H]3C(C)C)C2=O)cc1	ZINC000015023547	555864395	/nfs/dbraw/zinc/86/43/95/555864395.db2.gz	RZBDQFIMCYYPGM-GJZUVCINSA-N	0	1	494.548	4.756	50	5		JJBAMN
CCc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000227025653	570039659	/nfs/dbraw/zinc/03/96/59/570039659.db2.gz	OFCILHBPDUWKEH-YTFSRNRJSA-N	0	1	477.904	4.862	50	5		JJBAMN
CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc21	ZINC000003877700	194366045	/nfs/dbraw/zinc/36/60/45/194366045.db2.gz	MOFYMQHEJRYZDT-UHFFFAOYSA-N	0	1	454.460	4.780	50	5		JJBAMN
Cc1cccc(N2C(=O)NC(=O)[C@@](CCc3ccncc3)(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000016293403	524533694	/nfs/dbraw/zinc/53/36/94/524533694.db2.gz	AKUSGWWYFQHBJF-RUZDIDTESA-N	0	1	458.474	4.583	50	5		JJBAMN
CCOC(=O)c1c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2oc1-c1ccccc1	ZINC000008871956	554768159	/nfs/dbraw/zinc/76/81/59/554768159.db2.gz	VHCUEKNXLAZSKI-UHFFFAOYSA-N	0	1	466.471	4.986	50	5		JJBAMN
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN21	ZINC000013689749	555583460	/nfs/dbraw/zinc/58/34/60/555583460.db2.gz	RKCPGGHAUZDUES-UAFMIMERSA-N	0	1	456.340	4.566	50	5		JJBAMN
CC(C)(C)C(=O)[C@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@@H]2c3ccccc3C=NN12	ZINC000013689751	555583539	/nfs/dbraw/zinc/58/35/39/555583539.db2.gz	RKCPGGHAUZDUES-IYWMVGAKSA-N	0	1	456.340	4.566	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(C)cc3C)nn2[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000020134027	555658505	/nfs/dbraw/zinc/65/85/05/555658505.db2.gz	FIOHHHDNJSDHFS-NRFANRHFSA-N	0	1	479.562	4.947	50	5		JJBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1	ZINC000015947037	556084269	/nfs/dbraw/zinc/08/42/69/556084269.db2.gz	MKWLSRKFINRYDL-INIZCTEOSA-N	0	1	451.346	4.614	50	5		JJBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000143594469	569867582	/nfs/dbraw/zinc/86/75/82/569867582.db2.gz	VGZLNELXZVIVMT-BHDDXSALSA-N	0	1	463.877	4.608	50	5		JJBAMN
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@@H]2c3ccccc3C=NN21	ZINC000248274498	570077447	/nfs/dbraw/zinc/07/74/47/570077447.db2.gz	RKCPGGHAUZDUES-FYQPLNBISA-N	0	1	456.340	4.566	50	5		JJBAMN
Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2Br)cc1	ZINC000001196811	194067832	/nfs/dbraw/zinc/06/78/32/194067832.db2.gz	COLDFXVWIPETGP-UHFFFAOYSA-N	0	1	490.335	4.719	50	5		JJBAMN
CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001905816	194154564	/nfs/dbraw/zinc/15/45/64/194154564.db2.gz	YVCDCXUEPGGYPN-VXKWHMMOSA-N	0	1	495.488	4.655	50	5		JJBAMN
CCn1c(CN2CCN(Cc3ccccc3)CC2)nc2cc(NC(=O)c3ccccc3[N+](=O)[O-])ccc21	ZINC000020678155	195203083	/nfs/dbraw/zinc/20/30/83/195203083.db2.gz	WYOLIYGRCBPFPB-UHFFFAOYSA-N	0	1	498.587	4.535	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@H]1CCC	ZINC000016973387	520598513	/nfs/dbraw/zinc/59/85/13/520598513.db2.gz	YAWCTUFQIZDGAG-BWKNWUBXSA-N	0	1	482.512	4.539	50	5		JJBAMN
COc1ccc(-c2cc(-c3nc4c5sc6nc(C)cc(C)c6c5ncn4n3)[nH]n2)cc1OC	ZINC000033326957	523086191	/nfs/dbraw/zinc/08/61/91/523086191.db2.gz	FGEMBTCRTKXCPW-UHFFFAOYSA-N	0	1	457.519	4.578	50	5		JJBAMN
O=C(C[C@H](Sc1nc(-c2ccccc2)n[nH]1)c1cccc([N+](=O)[O-])c1)NCc1ccccc1	ZINC000002708969	554296656	/nfs/dbraw/zinc/29/66/56/554296656.db2.gz	DRCMXWQKNRRROD-NRFANRHFSA-N	0	1	459.531	4.920	50	5		JJBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)cc1	ZINC000002804202	554355290	/nfs/dbraw/zinc/35/52/90/554355290.db2.gz	IICPMAHICHHVPA-UHFFFAOYSA-N	0	1	461.714	4.601	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)[C@@H]1CCC	ZINC000009510506	555300071	/nfs/dbraw/zinc/30/00/71/555300071.db2.gz	QFGSOVFGTYDQQW-HOFKKMOUSA-N	0	1	492.576	4.812	50	5		JJBAMN
O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc([N+](=O)[O-])o1	ZINC000013306659	555375346	/nfs/dbraw/zinc/37/53/46/555375346.db2.gz	VVXPTXZBZATYJX-UHFFFAOYSA-N	0	1	456.263	4.548	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3C)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133614	555657865	/nfs/dbraw/zinc/65/78/65/555657865.db2.gz	GDFHCAOUCMOMTA-FQEVSTJZSA-N	0	1	465.535	4.639	50	5		JJBAMN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1	ZINC000015974150	556097320	/nfs/dbraw/zinc/09/73/20/556097320.db2.gz	SNKFEHHUNLAZGK-QFIPXVFZSA-N	0	1	458.430	4.504	50	5	aggregator	JJBAMN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000015974174	556097339	/nfs/dbraw/zinc/09/73/39/556097339.db2.gz	NSEKTJBXFWIVMK-QFIPXVFZSA-N	0	1	458.430	4.504	50	5	aggregator	JJBAMN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2ccc(Br)cc2Br)c([N+](=O)[O-])c1	ZINC000096908933	569743721	/nfs/dbraw/zinc/74/37/21/569743721.db2.gz	FHFGBCWCPLINGR-UHFFFAOYSA-N	0	1	462.010	4.680	50	5		JJBAMN
CCCC[C@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000036340258	569763830	/nfs/dbraw/zinc/76/38/30/569763830.db2.gz	OTCCBLCJRVBASS-VWLOTQADSA-N	0	1	489.620	4.624	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@H]1CCC	ZINC000102779638	569823669	/nfs/dbraw/zinc/82/36/69/569823669.db2.gz	AEFDHDCVJCRGQK-YIXXDRMTSA-N	0	1	492.576	4.812	50	5		JJBAMN
COc1ccc(S(=O)(=O)c2c(O)c(C)cc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C(C)C)cc1	ZINC000001050206	194009967	/nfs/dbraw/zinc/00/99/67/194009967.db2.gz	NHGFNHLMRNXQLI-UHFFFAOYSA-N	0	1	484.530	4.826	50	5		JJBAMN
O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1	ZINC000001314613	194083887	/nfs/dbraw/zinc/08/38/87/194083887.db2.gz	MCMMNPQWDQQRMU-DEOSSOPVSA-N	0	1	458.905	4.683	50	5		JJBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000009896616	195017147	/nfs/dbraw/zinc/01/71/47/195017147.db2.gz	JWZUSIAUXCGFQA-JOCHJYFZSA-N	0	1	465.531	4.681	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[C@@H]1CCC	ZINC000009487483	520599654	/nfs/dbraw/zinc/59/96/54/520599654.db2.gz	RXGPWAZNXKNXFK-OFVILXPXSA-N	0	1	498.967	4.849	50	5		JJBAMN
COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1	ZINC000016401010	525470575	/nfs/dbraw/zinc/47/05/75/525470575.db2.gz	VTIVWWWLYFVXOI-UHFFFAOYSA-N	0	1	475.910	4.618	50	5		JJBAMN
O=C1C(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)[C@H](c2ccc(F)cc2)N1c1cccc(C(F)(F)F)c1	ZINC000002475745	527111862	/nfs/dbraw/zinc/11/18/62/527111862.db2.gz	IZWPYQVYNFHEET-VQTJNVASSA-N	0	1	499.376	4.505	50	5		JJBAMN
Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000006174542	554514441	/nfs/dbraw/zinc/51/44/41/554514441.db2.gz	RXNRGZURASBQFP-ZCYQVOJMSA-N	0	1	479.558	4.692	50	5		JJBAMN
CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc21	ZINC000008833772	554731320	/nfs/dbraw/zinc/73/13/20/554731320.db2.gz	PAGZAAOHGOKJET-UHFFFAOYSA-N	0	1	484.486	4.789	50	5		JJBAMN
Cc1ccccc1N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@@H]2c2ccccc2)C1=O	ZINC000009089991	554891002	/nfs/dbraw/zinc/89/10/02/554891002.db2.gz	SZIZUGUDGRYZFG-ATIYNZHBSA-N	0	1	470.485	4.747	50	5		JJBAMN
O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000009245524	555021939	/nfs/dbraw/zinc/02/19/39/555021939.db2.gz	VZGWLEZDXAVSJI-UHFFFAOYSA-N	0	1	468.720	4.527	50	5		JJBAMN
CCCCOCCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000009561713	555360289	/nfs/dbraw/zinc/36/02/89/555360289.db2.gz	DJUXHVLBFJGHKY-FQEVSTJZSA-N	0	1	464.360	4.834	50	5		JJBAMN
Cc1ccccc1CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009711924	555435056	/nfs/dbraw/zinc/43/50/56/555435056.db2.gz	IKTGTZXBMZJOLF-UHFFFAOYSA-N	0	1	473.938	4.630	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(C)cc3C)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133755	555657916	/nfs/dbraw/zinc/65/79/16/555657916.db2.gz	SKVKMKXAMLZTCK-NRFANRHFSA-N	0	1	479.562	4.947	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020181708	555689226	/nfs/dbraw/zinc/68/92/26/555689226.db2.gz	YTLMHTGBNOUWGP-FQEVSTJZSA-N	0	1	465.535	4.639	50	5		JJBAMN
O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCCN(Cc2ccccc2)CC1	ZINC000011740461	555807915	/nfs/dbraw/zinc/80/79/15/555807915.db2.gz	NYKOQTHIHGNUAS-UHFFFAOYSA-N	0	1	490.526	4.565	50	5		JJBAMN
CCCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21	ZINC000026121597	556249415	/nfs/dbraw/zinc/24/94/15/556249415.db2.gz	RGCVIDFHSMRNAU-UHFFFAOYSA-N	0	1	465.554	4.604	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(Cl)cc3)C2=O)[C@H]1CCC	ZINC000102780224	569823791	/nfs/dbraw/zinc/82/37/91/569823791.db2.gz	RXGPWAZNXKNXFK-PXDATVDWSA-N	0	1	498.967	4.849	50	5		JJBAMN
O=[N+]([O-])c1cc([N+](=O)[O-])c(Nc2cc(Br)ccc2Br)c([N+](=O)[O-])c1	ZINC000104228806	569843584	/nfs/dbraw/zinc/84/35/84/569843584.db2.gz	UNSGMGBIJAYWQS-UHFFFAOYSA-N	0	1	462.010	4.680	50	5		JJBAMN
O=C(Nc1ccc(F)cc1)[C@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000104919918	569847256	/nfs/dbraw/zinc/84/72/56/569847256.db2.gz	YZRXQBPJRCVTGB-UKILVPOCSA-N	0	1	494.954	4.889	50	5		JJBAMN
O=C(Nc1ccc(F)cc1)[C@@H]1Cc2cc([N+](=O)[O-])ccc2N2CCN(Cc3ccc(Cl)cc3)C[C@H]12	ZINC000104919915	569847283	/nfs/dbraw/zinc/84/72/83/569847283.db2.gz	YZRXQBPJRCVTGB-ILBGXUMGSA-N	0	1	494.954	4.889	50	5		JJBAMN
CCOC(=O)C1=C(Nc2cccc([N+](=O)[O-])c2)C=C(C)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000001905813	194154442	/nfs/dbraw/zinc/15/44/42/194154442.db2.gz	YVCDCXUEPGGYPN-YADHBBJMSA-N	0	1	495.488	4.655	50	5		JJBAMN
COc1ccccc1NS(=O)(=O)c1ccc2oc(SCC(=O)c3ccc([N+](=O)[O-])cc3)nc2c1	ZINC000003237760	194247674	/nfs/dbraw/zinc/24/76/74/194247674.db2.gz	YKNSLLHYIVPHRH-UHFFFAOYSA-N	0	1	499.526	4.520	50	5		JJBAMN
O=C(CSc1nc(-c2cccnc2)n[nH]1)N(Cc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	ZINC000009056922	194515404	/nfs/dbraw/zinc/51/54/04/194515404.db2.gz	IODCGYMJJWGRMP-UHFFFAOYSA-N	0	1	480.937	4.754	50	5		JJBAMN
CCCc1oc2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2c1C(=O)OCC	ZINC000004144361	521601037	/nfs/dbraw/zinc/60/10/37/521601037.db2.gz	ZLKGTDAQXQXEBO-UHFFFAOYSA-N	0	1	466.899	4.924	50	5		JJBAMN
COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccccc21	ZINC000004149951	521758353	/nfs/dbraw/zinc/75/83/53/521758353.db2.gz	PKQRVCQBURJZFU-UHFFFAOYSA-N	0	1	454.460	4.698	50	5		JJBAMN
CCOC(=O)c1c2c(sc1NC(=O)CN[C@H]1CCCc3c4cc([N+](=O)[O-])ccc4[nH]c31)CCCC2	ZINC000002840301	554372244	/nfs/dbraw/zinc/37/22/44/554372244.db2.gz	CHMKWJWVCGWKPF-IBGZPJMESA-N	0	1	496.589	4.799	50	5		JJBAMN
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1	ZINC000008974644	554846137	/nfs/dbraw/zinc/84/61/37/554846137.db2.gz	GRLANHLPWDMAJR-AUSIDOKSSA-N	0	1	468.897	4.663	50	5		JJBAMN
O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)N1CCCc2ccccc21	ZINC000009096959	554895545	/nfs/dbraw/zinc/89/55/45/554895545.db2.gz	PPWGTWZWFZBGHD-UHFFFAOYSA-N	0	1	471.922	4.642	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3C)C2=O)[C@@H]1CCC	ZINC000009447362	555220258	/nfs/dbraw/zinc/22/02/58/555220258.db2.gz	BNPAIHBRPUINEB-BKMJKUGQSA-N	0	1	478.549	4.504	50	5		JJBAMN
COc1ccc([C@@H](CNc2nn3c(=O)c4c(C)c(C)sc4nc3c3ccccc23)N(C)C)cc1	ZINC000009685050	555413915	/nfs/dbraw/zinc/41/39/15/555413915.db2.gz	NICVPYGATRFFPB-OAQYLSRUSA-N	0	1	473.602	4.798	50	5		JJBAMN
COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc([N+](=O)[O-])c1O	ZINC000019843154	555509593	/nfs/dbraw/zinc/50/95/93/555509593.db2.gz	MPHGOCBNRDVBTO-QFIPXVFZSA-N	0	1	489.513	4.956	50	5		JJBAMN
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1	ZINC000013129462	556352403	/nfs/dbraw/zinc/35/24/03/556352403.db2.gz	ZIYDOIBKDOKCEW-LJQANCHMSA-N	0	1	478.980	4.982	50	5		JJBAMN
Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2S(=O)(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000036033875	563121868	/nfs/dbraw/zinc/12/18/68/563121868.db2.gz	RXNRGZURASBQFP-NOZRDPDXSA-N	0	1	479.558	4.692	50	5		JJBAMN
CCOc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(Cc2ccccc2)CC1	ZINC000055214857	569591227	/nfs/dbraw/zinc/59/12/27/569591227.db2.gz	AXNSYFKZGNDKDD-UHFFFAOYSA-N	0	1	460.534	4.568	50	5		JJBAMN
O=C(Nc1ccc(N2CCCN(Cc3ccccc3[N+](=O)[O-])CC2)nc1)c1ccccc1C(F)(F)F	ZINC000034681950	569643716	/nfs/dbraw/zinc/64/37/16/569643716.db2.gz	VYPOAWJBAINSOJ-UHFFFAOYSA-N	0	1	499.493	4.973	50	5		JJBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(S(=O)(=O)c3ccc(Cl)c(Cl)c3)c2)c1	ZINC000001196321	194067449	/nfs/dbraw/zinc/06/74/49/194067449.db2.gz	YMVUSCPQMYDTHU-UHFFFAOYSA-N	0	1	487.342	4.535	50	5		JJBAMN
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Br)c(S(=O)(=O)Nc2cccc(F)c2)c1	ZINC000001197042	194067715	/nfs/dbraw/zinc/06/77/15/194067715.db2.gz	HOKPNTCLVDXTNN-UHFFFAOYSA-N	0	1	494.298	4.550	50	5		JJBAMN
COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc21	ZINC000004149942	521756673	/nfs/dbraw/zinc/75/66/73/521756673.db2.gz	DTPAEORJBDQDBB-UHFFFAOYSA-N	0	1	454.460	4.698	50	5		JJBAMN
COc1ccc(S(=O)(=O)Nc2cc3c(oc4c3C(=O)CCC4)c3ccccc23)cc1[N+](=O)[O-]	ZINC000004149981	525080795	/nfs/dbraw/zinc/08/07/95/525080795.db2.gz	OZWRWQUMARQCKZ-UHFFFAOYSA-N	0	1	466.471	4.823	50	5		JJBAMN
Cc1ccccc1N1C(=O)NC(=O)[C@](CCc2ccncc2)(Cc2ccccc2[N+](=O)[O-])C1=O	ZINC000016293670	525221179	/nfs/dbraw/zinc/22/11/79/525221179.db2.gz	ITAFIELWQRRAIS-VWLOTQADSA-N	0	1	458.474	4.583	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)cc3C)C2=O)[C@@H]1CCC	ZINC000009452813	555224586	/nfs/dbraw/zinc/22/45/86/555224586.db2.gz	AEFDHDCVJCRGQK-WNCULLNHSA-N	0	1	492.576	4.812	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(Cl)c3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020181710	555689233	/nfs/dbraw/zinc/68/92/33/555689233.db2.gz	VBBIYCGDYYBVAZ-LJQANCHMSA-N	0	1	485.953	4.984	50	5		JJBAMN
CC(C)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1	ZINC000015947039	556084458	/nfs/dbraw/zinc/08/44/58/556084458.db2.gz	MKWLSRKFINRYDL-MRXNPFEDSA-N	0	1	451.346	4.614	50	5		JJBAMN
CCOC(=O)c1ccc(N2C(=O)c3n[nH]c(-c4ccco4)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1	ZINC000015974175	556097607	/nfs/dbraw/zinc/09/76/07/556097607.db2.gz	NSEKTJBXFWIVMK-JOCHJYFZSA-N	0	1	458.430	4.504	50	5	aggregator	JJBAMN
COc1cccc(N(C(=O)c2cccs2)C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000034678776	569642410	/nfs/dbraw/zinc/64/24/10/569642410.db2.gz	YWNULEWTCJJXNB-UHFFFAOYSA-N	0	1	451.548	4.976	50	5		JJBAMN
Cc1cccc(CNC(=O)c2ccc(C)nc2C2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000034725807	569652785	/nfs/dbraw/zinc/65/27/85/569652785.db2.gz	UIGPNANTWBNTDW-UHFFFAOYSA-N	0	1	458.562	4.916	50	5		JJBAMN
O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102705875	569816336	/nfs/dbraw/zinc/81/63/36/569816336.db2.gz	RYAHVHBGHKSZTJ-UWPQIUOOSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1cccc([N+](=O)[O-])c1	ZINC000102705875	569816337	/nfs/dbraw/zinc/81/63/37/569816337.db2.gz	RYAHVHBGHKSZTJ-UWPQIUOOSA-N	0	1	491.503	4.968	50	5		JJBAMN
O=C1C2=C(C(c3ccc(Cl)cc3)=NCCN2)[C@@H](c2cccc([N+](=O)[O-])c2)N1c1ccccc1	ZINC000001314614	194083689	/nfs/dbraw/zinc/08/36/89/194083689.db2.gz	MCMMNPQWDQQRMU-XMMPIXPASA-N	0	1	458.905	4.683	50	5		JJBAMN
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3Cc3ccccc3)cc2)cc1[N+](=O)[O-]	ZINC000012604720	195049850	/nfs/dbraw/zinc/04/98/50/195049850.db2.gz	FSFZWKAKIPYXBG-QFIPXVFZSA-N	0	1	479.558	4.551	50	5		JJBAMN
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1)c1ccccc1[N+](=O)[O-]	ZINC000002980507	554417475	/nfs/dbraw/zinc/41/74/75/554417475.db2.gz	OGXOEDJUIUVNLB-UHFFFAOYSA-N	0	1	465.409	4.667	50	5		JJBAMN
CCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1c1ccccc1	ZINC000008974117	554845517	/nfs/dbraw/zinc/84/55/17/554845517.db2.gz	ZGTMASBEDXBCCC-BKMJKUGQSA-N	0	1	470.485	4.828	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cccc(C)c3)C2=O)[C@@H]1CCC	ZINC000009015686	554866031	/nfs/dbraw/zinc/86/60/31/554866031.db2.gz	QTRGXRJXNDGICW-NVQXNPDNSA-N	0	1	478.549	4.708	50	5		JJBAMN
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cccc(C)c3C)C2=O)[C@@H]1CCC	ZINC000009187837	554960066	/nfs/dbraw/zinc/96/00/66/554960066.db2.gz	KWNCGDRNOUNLFZ-HOFKKMOUSA-N	0	1	492.576	4.812	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3ccc(C)cc3C)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020133752	555657938	/nfs/dbraw/zinc/65/79/38/555657938.db2.gz	SKVKMKXAMLZTCK-OAQYLSRUSA-N	0	1	479.562	4.947	50	5		JJBAMN
CCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000020181705	555689145	/nfs/dbraw/zinc/68/91/45/555689145.db2.gz	YTLMHTGBNOUWGP-HXUWFJFHSA-N	0	1	465.535	4.639	50	5		JJBAMN
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@H]2c3ccccc3C=NN21	ZINC000016038783	556120900	/nfs/dbraw/zinc/12/09/00/556120900.db2.gz	RKCPGGHAUZDUES-WTGUMLROSA-N	0	1	456.340	4.566	50	5		JJBAMN
Cc1cccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@H]3c3ccccc3)C2=O)c1	ZINC000016975885	556193884	/nfs/dbraw/zinc/19/38/84/556193884.db2.gz	NYFPBKFQGJVFRA-NVQXNPDNSA-N	0	1	470.485	4.747	50	5		JJBAMN
Cc1ccccc1N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N(C)[C@H]2c2ccccc2)C1=O	ZINC000016995928	556198938	/nfs/dbraw/zinc/19/89/38/556198938.db2.gz	SZIZUGUDGRYZFG-NVQXNPDNSA-N	0	1	470.485	4.747	50	5		JJBAMN
Cc1ccc([C@@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2cccc([N+](=O)[O-])c2)cc1	ZINC000101157388	569784844	/nfs/dbraw/zinc/78/48/44/569784844.db2.gz	VGZLNELXZVIVMT-BDTNDASRSA-N	0	1	463.877	4.608	50	5		JJBAMN
CC(C)(C)C(=O)[C@@H]1[C@H](c2ccc(Br)cc2)C([N+](=O)[O-])[C@@H]2c3ccccc3C=NN21	ZINC000229655051	570040839	/nfs/dbraw/zinc/04/08/39/570040839.db2.gz	RKCPGGHAUZDUES-WCIQWLHISA-N	0	1	456.340	4.566	50	5		JJBAMN