smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)n1	ZINC000012492119	524590528	/nfs/dbraw/zinc/59/05/28/524590528.db2.gz	IJJWVYNSERGHQU-UHFFFAOYSA-N	-1	0	461.887	3.708	40	5		JHBBRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1cccc([N+](=O)[O-])c1C	ZINC000009142271	554935257	/nfs/dbraw/zinc/93/52/57/554935257.db2.gz	IVFUASOXNVHPRJ-UHFFFAOYSA-N	-1	0	456.553	3.608	40	5		JHBBRM
COc1ccc(-c2nnc(NC(=O)c3cccc([N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])c3)o2)cc1	ZINC000039754855	569811365	/nfs/dbraw/zinc/81/13/65/569811365.db2.gz	CZVVQHAMZRFCIT-UHFFFAOYSA-N	-1	0	495.473	3.707	40	5		JHBBRM
Cc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000408705819	570024821	/nfs/dbraw/zinc/02/48/21/570024821.db2.gz	OCPALKYSBWLMFU-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
O=c1/c(=C\c2cc([N+](=O)[O-])ccc2[O-])sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	ZINC000408777286	570040543	/nfs/dbraw/zinc/04/05/43/570040543.db2.gz	XNGNZUVYGLVMRW-FJWZAKCXSA-N	-1	0	487.562	3.994	40	5		JHBBRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409042706	570107852	/nfs/dbraw/zinc/10/78/52/570107852.db2.gz	OGZUBEGIYWBFOF-OVCLIPMQSA-N	-1	0	462.256	3.515	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000409312071	570199235	/nfs/dbraw/zinc/19/92/35/570199235.db2.gz	JSVBKQXGVLCCJN-YVMONPNESA-N	-1	0	466.450	3.609	40	5		JHBBRM
COc1cccc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409321961	570201334	/nfs/dbraw/zinc/20/13/34/570201334.db2.gz	IGYCPOBVBBGKJH-ALCCZGGFSA-N	-1	0	471.338	3.584	40	5		JHBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000016385718	526343229	/nfs/dbraw/zinc/34/32/29/526343229.db2.gz	NXVSITCYWDNRMZ-UHFFFAOYSA-N	-1	0	458.677	3.836	40	5		JHBBRM
O=C([O-])c1cc(Cl)ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1Br	ZINC000016385720	526345608	/nfs/dbraw/zinc/34/56/08/526345608.db2.gz	RBEMGKIISDLLOI-UHFFFAOYSA-N	-1	0	458.677	3.836	40	5		JHBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)ccc1Cl	ZINC000022565869	526352038	/nfs/dbraw/zinc/35/20/38/526352038.db2.gz	FVLYLMUDKWKJBN-UHFFFAOYSA-N	-1	0	458.677	3.836	40	5		JHBBRM
O=C([N-]N1C(=O)c2ccccc2N[C@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)o1	ZINC000002747244	554324642	/nfs/dbraw/zinc/32/46/42/554324642.db2.gz	WFEWMOIMKVJQIO-QGZVFWFLSA-N	-1	0	457.240	3.862	40	5		JHBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022707355	555943968	/nfs/dbraw/zinc/94/39/68/555943968.db2.gz	QMTFTZQQRYOBIX-UHFFFAOYSA-N	-1	0	471.322	3.571	40	5		JHBBRM
O=C([O-])[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])NC(=O)OCC1c2ccccc2-c2ccccc21	ZINC000051943794	569852380	/nfs/dbraw/zinc/85/23/80/569852380.db2.gz	GLJCJFFDYXFRQX-OAQYLSRUSA-N	-1	0	492.444	3.907	40	5		JHBBRM
CCOC(=O)CSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)[O-])cc2s1	ZINC000408750618	570034031	/nfs/dbraw/zinc/03/40/31/570034031.db2.gz	PLTLVHJCSSRLHR-UHFFFAOYSA-N	-1	0	461.477	3.810	40	5		JHBBRM
O=C1N/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1	ZINC000408929357	570079301	/nfs/dbraw/zinc/07/93/01/570079301.db2.gz	JBIDZMMTKNNYFL-AWNIVKPZSA-N	-1	0	497.099	3.918	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C\c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1	ZINC000408962013	570086290	/nfs/dbraw/zinc/08/62/90/570086290.db2.gz	FMHDEEIBIHCYKZ-NVNXTCNLSA-N	-1	0	478.280	3.738	40	5		JHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409316300	570200361	/nfs/dbraw/zinc/20/03/61/570200361.db2.gz	YJURFFNBYDXJTC-VURMDHGXSA-N	-1	0	454.395	3.852	40	5		JHBBRM
CCOc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OCC(=O)[O-]	ZINC000106739015	569855313	/nfs/dbraw/zinc/85/53/13/569855313.db2.gz	KJXRMNQFIJUPAD-YVLHZVERSA-N	-1	0	458.448	3.693	40	5		JHBBRM
CCOc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000408705357	570024525	/nfs/dbraw/zinc/02/45/25/570024525.db2.gz	CXHOBRSEHUZIME-UHFFFAOYSA-N	-1	0	491.547	3.904	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409227481	570176349	/nfs/dbraw/zinc/17/63/49/570176349.db2.gz	ZCTPVWCDGWOJFQ-GIDUJCDVSA-N	-1	0	481.845	3.777	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2[O-])C1=O)Nc1cccc(F)c1	ZINC000409254202	570186713	/nfs/dbraw/zinc/18/67/13/570186713.db2.gz	VZJHCOCGESJAIV-LHHJGKSTSA-N	-1	0	496.270	3.877	40	5		JHBBRM
CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2C(=O)[O-])cc1[N+](=O)[O-]	ZINC000016693009	520902101	/nfs/dbraw/zinc/90/21/01/520902101.db2.gz	JBEPTQUFOXKUOK-UHFFFAOYSA-N	-1	0	468.285	3.581	40	5		JHBBRM
O=C(Nc1nnc(-c2ccccc2)o1)c1cccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000039750616	569811361	/nfs/dbraw/zinc/81/13/61/569811361.db2.gz	UTIUICDIMQWNGX-UHFFFAOYSA-N	-1	0	465.447	3.698	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc21	ZINC000107793163	569857426	/nfs/dbraw/zinc/85/74/26/569857426.db2.gz	KYDZMAHEIMAQRX-PKNBQFBNSA-N	-1	0	459.414	3.523	40	5		JHBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000408927354	570078867	/nfs/dbraw/zinc/07/88/67/570078867.db2.gz	ZVEZWOYJYSLSAG-UHFFFAOYSA-N	-1	0	457.464	3.665	40	5		JHBBRM
Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)C(C)C)cc1	ZINC000409169606	570154391	/nfs/dbraw/zinc/15/43/91/570154391.db2.gz	RBXDXCVIZGZXKT-FQEVSTJZSA-N	-1	0	498.565	3.595	40	5		JHBBRM
Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000409180752	570158954	/nfs/dbraw/zinc/15/89/54/570158954.db2.gz	VDORIXDYTKGDOJ-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c1	ZINC000408573937	570205277	/nfs/dbraw/zinc/20/52/77/570205277.db2.gz	FWRYPTNUCPBPPM-UHFFFAOYSA-N	-1	0	471.491	3.974	40	5		JHBBRM
Cc1c(NC(=S)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cccc1C(=O)[O-]	ZINC000020153098	555671575	/nfs/dbraw/zinc/67/15/75/555671575.db2.gz	LIMSBWKGWWWZII-UHFFFAOYSA-N	-1	0	456.524	3.965	40	5		JHBBRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1	ZINC000032116403	556423263	/nfs/dbraw/zinc/42/32/63/556423263.db2.gz	QBYXHBVDUSGYOS-UHFFFAOYSA-N	-1	0	475.118	3.952	40	5		JHBBRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)[O-]	ZINC000214903561	569877060	/nfs/dbraw/zinc/87/70/60/569877060.db2.gz	MELVLWSCTAJZDL-VCHYOVAHSA-N	-1	0	458.448	3.693	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409159000	570151417	/nfs/dbraw/zinc/15/14/17/570151417.db2.gz	UQPDLCROQJMOAA-CXUHLZMHSA-N	-1	0	457.464	3.601	40	5		JHBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	ZINC000409184474	570160341	/nfs/dbraw/zinc/16/03/41/570160341.db2.gz	YHSVDPUTMMTEJW-UHFFFAOYSA-N	-1	0	455.492	3.894	40	5		JHBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	ZINC000020153341	555672448	/nfs/dbraw/zinc/67/24/48/555672448.db2.gz	YINLOCMDMIVUSC-UHFFFAOYSA-N	-1	0	478.914	3.682	40	5		JHBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)C(=O)[O-])o2)c1	ZINC000408634194	569985065	/nfs/dbraw/zinc/98/50/65/569985065.db2.gz	RYDBOQIEWIZKAU-FRKPEAEDSA-N	-1	0	475.435	3.594	40	5		JHBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C(=O)[O-])o2)c1	ZINC000408635080	569985509	/nfs/dbraw/zinc/98/55/09/569985509.db2.gz	YPBCHTAPPFXSSS-FMQZQXMHSA-N	-1	0	473.419	3.609	40	5		JHBBRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccccc1Cl	ZINC000225535231	570003446	/nfs/dbraw/zinc/00/34/46/570003446.db2.gz	XVAAKOQJQCYEKI-UHFFFAOYSA-N	-1	0	474.307	3.806	40	5		JHBBRM
Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000408907523	570071299	/nfs/dbraw/zinc/07/12/99/570071299.db2.gz	QCAKFQWSFLOKPW-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409161696	570152250	/nfs/dbraw/zinc/15/22/50/570152250.db2.gz	AJFPFFMKAGGUPX-YVLHZVERSA-N	-1	0	457.464	3.683	40	5		JHBBRM
O=c1/c(=C\c2cc([N+](=O)[O-])ccc2[O-])sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1	ZINC000058865127	195385608	/nfs/dbraw/zinc/38/56/08/195385608.db2.gz	YWOKQAFSJTYMSC-XSZPGNIMSA-N	-1	0	481.533	3.933	40	5		JHBBRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1Cl	ZINC000224972657	569966142	/nfs/dbraw/zinc/96/61/42/569966142.db2.gz	MMRLVEYXXRZSNK-UHFFFAOYSA-N	-1	0	474.307	3.806	40	5		JHBBRM
Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408915296	570075038	/nfs/dbraw/zinc/07/50/38/570075038.db2.gz	ZEUMLPSUDAOYPQ-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
COc1cccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409246201	570184184	/nfs/dbraw/zinc/18/41/84/570184184.db2.gz	GJQMTQACJIHPQQ-HJPCULJESA-N	-1	0	458.448	3.692	40	5		JHBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000016385779	526343976	/nfs/dbraw/zinc/34/39/76/526343976.db2.gz	UHDVWYHXBLRRJI-UHFFFAOYSA-N	-1	0	458.677	3.836	40	5		JHBBRM
O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1	ZINC000022565864	526370278	/nfs/dbraw/zinc/37/02/78/526370278.db2.gz	BDRGSGRIHYZEMJ-UHFFFAOYSA-N	-1	0	458.677	3.836	40	5		JHBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102946596	569829731	/nfs/dbraw/zinc/82/97/31/569829731.db2.gz	AXZLBPACMVJUEU-SIKLNZKXSA-N	-1	0	462.389	3.652	40	5		JHBBRM
Cc1ccccc1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000408705868	570024786	/nfs/dbraw/zinc/02/47/86/570024786.db2.gz	PBHKOTQYLQCEMD-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409174227	570156202	/nfs/dbraw/zinc/15/62/02/570156202.db2.gz	UCVIWXRWOKNDAQ-YVLHZVERSA-N	-1	0	457.464	3.683	40	5		JHBBRM
CCCOc1c(I)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1OCC	ZINC000409316321	570200302	/nfs/dbraw/zinc/20/03/02/570200302.db2.gz	YMWBPSUBKKCWGX-AATRIKPKSA-N	-1	0	487.250	3.759	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccn1	ZINC000409322536	570201433	/nfs/dbraw/zinc/20/14/33/570201433.db2.gz	LTIIVHTZTBOATH-WAYWQWQTSA-N	-1	0	475.255	3.712	40	5		JHBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1	ZINC000016399709	526343847	/nfs/dbraw/zinc/34/38/47/526343847.db2.gz	SPBGSQJQOCJWSR-QPJJXVBHSA-N	-1	0	450.270	3.582	40	5		JHBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c1	ZINC000408906111	570070711	/nfs/dbraw/zinc/07/07/11/570070711.db2.gz	CKKSBDJBSTYSML-UHFFFAOYSA-N	-1	0	471.491	3.974	40	5		JHBBRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409136293	570142493	/nfs/dbraw/zinc/14/24/93/570142493.db2.gz	YIIPLZNUHRORKB-VCHYOVAHSA-N	-1	0	458.448	3.693	40	5		JHBBRM
CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000409152310	570149409	/nfs/dbraw/zinc/14/94/09/570149409.db2.gz	AUCBAJYYEPYCJT-UHFFFAOYSA-N	-1	0	463.903	3.875	40	5		JHBBRM
CCn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C	ZINC000409161414	570152109	/nfs/dbraw/zinc/15/21/09/570152109.db2.gz	UTKXVYZFRDFYAR-HXUWFJFHSA-N	-1	0	498.565	3.770	40	5		JHBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102946602	130423361	/nfs/dbraw/zinc/42/33/61/130423361.db2.gz	AXZLBPACMVJUEU-DENIHFKCSA-N	-1	0	462.389	3.652	40	5		JHBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102960702	130428549	/nfs/dbraw/zinc/42/85/49/130428549.db2.gz	JMOOMEDXBBTHEC-REWPJTCUSA-N	-1	0	476.416	3.961	40	5		JHBBRM
Cc1cc(NC(=S)NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)cc(C(=O)[O-])c1O	ZINC000020153113	525263044	/nfs/dbraw/zinc/26/30/44/525263044.db2.gz	GVVLNFZCHGKRGC-UHFFFAOYSA-N	-1	0	472.523	3.670	40	5		JHBBRM
O=C([N-]N1C(=O)c2ccccc2N[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc(Br)o1	ZINC000002747243	554324658	/nfs/dbraw/zinc/32/46/58/554324658.db2.gz	WFEWMOIMKVJQIO-KRWDZBQOSA-N	-1	0	457.240	3.862	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl	ZINC000108288850	569859453	/nfs/dbraw/zinc/85/94/53/569859453.db2.gz	UTIYSQSLXMJQSW-QHHAFSJGSA-N	-1	0	478.244	3.676	40	5		JHBBRM
O=c1/c(=C/c2ccc([O-])c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1	ZINC000142842155	569867561	/nfs/dbraw/zinc/86/75/61/569867561.db2.gz	MTJIZKBBRQHNMH-GJFKPFFXSA-N	-1	0	481.533	3.933	40	5		JHBBRM
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)[O-]	ZINC000205701486	569874161	/nfs/dbraw/zinc/87/41/61/569874161.db2.gz	AJAOMYWEFAGDEW-VCHYOVAHSA-N	-1	0	458.448	3.693	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409156014	570150569	/nfs/dbraw/zinc/15/05/69/570150569.db2.gz	KADVDWBRROQUGQ-LZYBPNLTSA-N	-1	0	475.504	3.706	40	5		JHBBRM
COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000409221129	570174443	/nfs/dbraw/zinc/17/44/43/570174443.db2.gz	LGIBDRHQLVQEDK-VIZOYTHASA-N	-1	0	463.855	3.637	40	5		JHBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c1[O-]	ZINC000409246478	570184450	/nfs/dbraw/zinc/18/44/50/570184450.db2.gz	BVAKCZIZGRWMQM-FRKPEAEDSA-N	-1	0	461.427	3.513	40	5		JHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)cc1	ZINC000409315656	570200124	/nfs/dbraw/zinc/20/01/24/570200124.db2.gz	WHQMJSLZMJYTEX-UXBLZVDNSA-N	-1	0	466.450	3.691	40	5		JHBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(Cl)cc1Cl	ZINC000020153131	555671564	/nfs/dbraw/zinc/67/15/64/555671564.db2.gz	QVAOYJNPUDUVFH-UHFFFAOYSA-N	-1	0	499.332	3.563	40	5		JHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000020153092	555671598	/nfs/dbraw/zinc/67/15/98/555671598.db2.gz	SZISLFUJYRQDJE-UHFFFAOYSA-N	-1	0	456.524	3.965	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000205658062	569874045	/nfs/dbraw/zinc/87/40/45/569874045.db2.gz	CJGRXEYEJHMUEL-AYSLTRBKSA-N	-1	0	464.839	3.928	40	5		JHBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)[O-])n[nH]1	ZINC000408631632	569983073	/nfs/dbraw/zinc/98/30/73/569983073.db2.gz	KWOVMKHETKXSLS-BNCCVWRVSA-N	-1	0	476.854	3.988	40	5		JHBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])cc(OC)c3OC)C(=O)[O-])o2)c1	ZINC000408635139	569985512	/nfs/dbraw/zinc/98/55/12/569985512.db2.gz	ZGHQIKRIZRAORH-CAOOACKPSA-N	-1	0	489.462	3.897	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409183865	570160331	/nfs/dbraw/zinc/16/03/31/570160331.db2.gz	VVEFZWJEESZUKV-FRKPEAEDSA-N	-1	0	477.882	3.946	40	5		JHBBRM
CCOc1cc(C(=O)[O-])cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408635479	195485269	/nfs/dbraw/zinc/48/52/69/195485269.db2.gz	BXYHEOAGAOUXAY-UHFFFAOYSA-N	-1	0	474.163	3.997	40	5		JHBBRM
COc1ccc(-c2nnc(NC(=O)c3ccc([N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)o2)cc1	ZINC000009062227	554879453	/nfs/dbraw/zinc/87/94/53/554879453.db2.gz	ONQAPMFQDDHCOI-UHFFFAOYSA-N	-1	0	495.473	3.707	40	5		JHBBRM
Cc1ccc(S(=O)(=O)[N-]c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2[N+](=O)[O-])cc1	ZINC000013969190	555666122	/nfs/dbraw/zinc/66/61/22/555666122.db2.gz	KTSPXCQLDCOQIN-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1cc([N+](=O)[O-])ccc1N1CCOCC1	ZINC000022707357	555943951	/nfs/dbraw/zinc/94/39/51/555943951.db2.gz	JEYXGIDMIQPRSL-UHFFFAOYSA-N	-1	0	471.322	3.571	40	5		JHBBRM
Cn1[n-]c(-c2ccccc2)c(C(c2c(-c3ccccc3)[n-]n(C)c2=O)c2ccccc2[N+](=O)[O-])c1=O	ZINC000102953759	569829860	/nfs/dbraw/zinc/82/98/60/569829860.db2.gz	RKZLNEOKGFCKLH-GOTSBHOMSA-N	-1	0	481.512	3.663	40	5		JHBBRM
COc1cccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409246202	570184145	/nfs/dbraw/zinc/18/41/45/570184145.db2.gz	GJQMTQACJIHPQQ-NJPLLEPOSA-N	-1	0	458.448	3.692	40	5		JHBBRM
Cc1cccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1	ZINC000408702108	570022264	/nfs/dbraw/zinc/02/22/64/570022264.db2.gz	CEHITCNQUBFEGF-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C\c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O)Nc1ccccc1F	ZINC000408931231	570080016	/nfs/dbraw/zinc/08/00/16/570080016.db2.gz	ISAKCUHOCHDALD-NSIKDUERSA-N	-1	0	451.819	3.768	40	5		JHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409305290	570197744	/nfs/dbraw/zinc/19/77/44/570197744.db2.gz	UXAYIEDSBMHELW-UTCJRWHESA-N	-1	0	485.365	3.974	40	5		JHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409322946	570201471	/nfs/dbraw/zinc/20/14/71/570201471.db2.gz	LYPPNNGWIHZCDC-UITAMQMPSA-N	-1	0	454.395	3.852	40	5		JHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000020153102	555671605	/nfs/dbraw/zinc/67/16/05/555671605.db2.gz	SGGPGQCMHPAYRP-UHFFFAOYSA-N	-1	0	456.524	3.965	40	5		JHBBRM
Cc1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cccc1C(=O)[O-]	ZINC000020153261	555672083	/nfs/dbraw/zinc/67/20/83/555672083.db2.gz	PRXRLIYGVUMEMM-UHFFFAOYSA-N	-1	0	456.524	3.965	40	5		JHBBRM
Cc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000014276416	555783735	/nfs/dbraw/zinc/78/37/35/555783735.db2.gz	YWWBJWRRUNMNIK-UHFFFAOYSA-N	-1	0	497.606	3.646	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OC(=O)c1cccs1	ZINC000033726393	569632333	/nfs/dbraw/zinc/63/23/33/569632333.db2.gz	MUNWYBURORLGPY-SNAWJCMRSA-N	-1	0	494.279	3.606	40	5		JHBBRM
O=C1NC(=Cc2cc([N+](=O)[O-])cc(I)c2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000409094043	570125881	/nfs/dbraw/zinc/12/58/81/570125881.db2.gz	BRRSLMKWOSYMAM-WLRTZDKTSA-N	-1	0	485.621	3.656	40	5		JHBBRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc(OCC)c3[O-])C2=O)cc1	ZINC000409108519	570131263	/nfs/dbraw/zinc/13/12/63/570131263.db2.gz	UWEUTLSQNDSKTM-VCHYOVAHSA-N	-1	0	487.490	3.773	40	5		JHBBRM
COc1cc(C=C2SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409220230	570174015	/nfs/dbraw/zinc/17/40/15/570174015.db2.gz	ZRHJPLIDDCJNGX-LZYBPNLTSA-N	-1	0	493.291	3.991	40	5		JHBBRM
CCc1ccc(NC(=O)COc2ccc(C=Cc3[nH]c(=O)[n-]c(=O)c3[N+](=O)[O-])cc2OC)cc1	ZINC000409319198	570200769	/nfs/dbraw/zinc/20/07/69/570200769.db2.gz	BXGFIQZHAWTYNX-UXBLZVDNSA-N	-1	0	466.450	3.555	40	5		JHBBRM
Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)c1	ZINC000035087776	569674793	/nfs/dbraw/zinc/67/47/93/569674793.db2.gz	PWZCJCDTESYCRL-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
COc1ccc(-c2nnc(NC(=O)c3ccccc3[N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])o2)cc1	ZINC000039773578	569812029	/nfs/dbraw/zinc/81/20/29/569812029.db2.gz	GNORXBFGFYZGBE-UHFFFAOYSA-N	-1	0	495.473	3.707	40	5		JHBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)/C(=C\c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1	ZINC000211423501	569876149	/nfs/dbraw/zinc/87/61/49/569876149.db2.gz	JBEWDCPWCKBLIH-CPNJWEJPSA-N	-1	0	461.430	3.711	40	5		JHBBRM
O=C(Nc1nnc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccc(Cl)cc1	ZINC000224667244	569952851	/nfs/dbraw/zinc/95/28/51/569952851.db2.gz	LAVOZLAXPLZRLL-UHFFFAOYSA-N	-1	0	474.307	3.806	40	5		JHBBRM
COc1cc(C(=O)[O-])cc(I)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000408636361	569986701	/nfs/dbraw/zinc/98/67/01/569986701.db2.gz	OYJLRIKKNAWLIZ-UHFFFAOYSA-N	-1	0	460.136	3.607	40	5		JHBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1	ZINC000408702970	570023009	/nfs/dbraw/zinc/02/30/09/570023009.db2.gz	LDQROWAEHFWBFP-UHFFFAOYSA-N	-1	0	465.484	3.644	40	5		JHBBRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409038787	570107028	/nfs/dbraw/zinc/10/70/28/570107028.db2.gz	BECQQAOPPLSXNB-VIZOYTHASA-N	-1	0	462.256	3.515	40	5		JHBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409154450	570150092	/nfs/dbraw/zinc/15/00/92/570150092.db2.gz	OLVUTMGZXSVRKP-YVLHZVERSA-N	-1	0	457.464	3.683	40	5		JHBBRM
Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)C(C)C)cc1	ZINC000409169610	570154437	/nfs/dbraw/zinc/15/44/37/570154437.db2.gz	RBXDXCVIZGZXKT-HXUWFJFHSA-N	-1	0	498.565	3.595	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C/c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1	ZINC000409245918	570184142	/nfs/dbraw/zinc/18/41/42/570184142.db2.gz	AWTPKGUKKMVHJR-MKMNVTDBSA-N	-1	0	496.270	3.877	40	5		JHBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(CC(=O)[O-])cc2)CC1	ZINC000020153270	521044587	/nfs/dbraw/zinc/04/45/87/521044587.db2.gz	XTHOOFVICSQNIH-UHFFFAOYSA-N	-1	0	456.524	3.585	40	5		JHBBRM
O=C([O-])c1cc(Cl)cc(Cl)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000016383424	526345903	/nfs/dbraw/zinc/34/59/03/526345903.db2.gz	FHAVBVVEIRFEMB-UHFFFAOYSA-N	-1	0	459.223	3.635	40	5		JHBBRM
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)[N-]C(=O)N(c4ccc(Cl)cc4)C3=O)[C@@H]2C1	ZINC000009242723	555017420	/nfs/dbraw/zinc/01/74/20/555017420.db2.gz	VIIUZRFDNPKPBJ-CUKRAGERSA-N	-1	0	468.897	3.679	40	5		JHBBRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1[N+](=O)[O-]	ZINC000032116550	556424222	/nfs/dbraw/zinc/42/42/22/556424222.db2.gz	COWQGSUQUWTRQH-UHFFFAOYSA-N	-1	0	475.118	3.952	40	5		JHBBRM
O=C([O-])c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)cc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000020457229	526351536	/nfs/dbraw/zinc/35/15/36/526351536.db2.gz	MOVVQNQYCBDBNV-UHFFFAOYSA-N	-1	0	450.363	3.706	40	5		JHBBRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	ZINC000020153257	555672095	/nfs/dbraw/zinc/67/20/95/555672095.db2.gz	BZEKXADQSWRILZ-UHFFFAOYSA-N	-1	0	472.523	3.665	40	5		JHBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1	ZINC000014223882	555734714	/nfs/dbraw/zinc/73/47/14/555734714.db2.gz	CMXLQWORSXUGJH-UHFFFAOYSA-N	-1	0	467.912	3.850	40	5		JHBBRM
COc1ccc(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1	ZINC000408705523	570024664	/nfs/dbraw/zinc/02/46/64/570024664.db2.gz	HRXGACUSENUEAZ-UHFFFAOYSA-N	-1	0	477.520	3.513	40	5		JHBBRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1	ZINC000409045538	570108580	/nfs/dbraw/zinc/10/85/80/570108580.db2.gz	ZBPICAQDEKDLFH-VIZOYTHASA-N	-1	0	462.256	3.515	40	5		JHBBRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409127859	570138812	/nfs/dbraw/zinc/13/88/12/570138812.db2.gz	HUWSLMZJACRXIM-VCHYOVAHSA-N	-1	0	458.448	3.693	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409165595	570153164	/nfs/dbraw/zinc/15/31/64/570153164.db2.gz	ABCRMZYALCNDED-OVCLIPMQSA-N	-1	0	463.855	3.637	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409165529	570153199	/nfs/dbraw/zinc/15/31/99/570153199.db2.gz	ZDQKKFQQZDCAQT-VIZOYTHASA-N	-1	0	463.855	3.637	40	5		JHBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000003076346	194224416	/nfs/dbraw/zinc/22/44/16/194224416.db2.gz	UZHGGVFOHMQXPS-UHFFFAOYSA-N	-1	0	461.022	3.986	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1	ZINC000033409596	521984853	/nfs/dbraw/zinc/98/48/53/521984853.db2.gz	OGOJPAINFYFCSC-FPLPWBNLSA-N	-1	0	474.267	3.904	40	5		JHBBRM
COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(=O)Nc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000026780000	556262180	/nfs/dbraw/zinc/26/21/80/556262180.db2.gz	MJBMMQNNDXDLSF-UHFFFAOYSA-N	-1	0	487.450	3.956	40	5		JHBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3cc([N+](=O)[O-])cc(OC)c3OC)C(=O)[O-])n[nH]2)c1	ZINC000408633756	569984711	/nfs/dbraw/zinc/98/47/11/569984711.db2.gz	OZHGSNKGOSWVJI-CAOOACKPSA-N	-1	0	488.478	3.632	40	5		JHBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1	ZINC000225742927	570019184	/nfs/dbraw/zinc/01/91/84/570019184.db2.gz	PGPRALCCZQWPLL-UHFFFAOYSA-N	-1	0	471.516	3.829	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1	ZINC000409126023	570137984	/nfs/dbraw/zinc/13/79/84/570137984.db2.gz	APFVNMLISFFEJG-LZYBPNLTSA-N	-1	0	478.866	3.957	40	5		JHBBRM
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1	ZINC000020457061	527024950	/nfs/dbraw/zinc/02/49/50/527024950.db2.gz	ZWBUNMIOMVZOCL-UHFFFAOYSA-N	-1	0	458.521	3.663	40	5		JHBBRM
COc1cc(C=Cc2nc([O-])c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1ccccc1	ZINC000098031666	569749829	/nfs/dbraw/zinc/74/98/29/569749829.db2.gz	WVMFQQKAXSGMFK-FPLPWBNLSA-N	-1	0	474.267	3.904	40	5		JHBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102960706	569830090	/nfs/dbraw/zinc/83/00/90/569830090.db2.gz	JMOOMEDXBBTHEC-NZQKXSOJSA-N	-1	0	476.416	3.961	40	5		JHBBRM
COc1ccc(Cl)cc1-c1nc(SC(=Cc2cc([N+](=O)[O-])cc(OC)c2O)C(=O)[O-])n[nH]1	ZINC000408633386	569984423	/nfs/dbraw/zinc/98/44/23/569984423.db2.gz	YBJSWWRMGTZMJW-GIDUJCDVSA-N	-1	0	478.870	3.974	40	5		JHBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409176895	570157306	/nfs/dbraw/zinc/15/73/06/570157306.db2.gz	AEZQDASPJSVJPN-WQRHYEAKSA-N	-1	0	471.491	3.937	40	5		JHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C)c(C)c1	ZINC000409304238	570197499	/nfs/dbraw/zinc/19/74/99/570197499.db2.gz	QODAYGOUNZLREX-TWGQIWQCSA-N	-1	0	480.477	3.999	40	5		JHBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000020153166	555671809	/nfs/dbraw/zinc/67/18/09/555671809.db2.gz	HWDQCXFITGYASP-UHFFFAOYSA-N	-1	0	478.914	3.682	40	5		JHBBRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC	ZINC000022522877	555931020	/nfs/dbraw/zinc/93/10/20/555931020.db2.gz	KPRPKKVJLKOAAK-UHFFFAOYSA-N	-1	0	499.545	3.526	40	5		JHBBRM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c1	ZINC000035330743	569680953	/nfs/dbraw/zinc/68/09/53/569680953.db2.gz	DAPNDSYSBWANDN-UHFFFAOYSA-N	-1	0	467.912	3.850	40	5		JHBBRM
COC(=O)c1c([N+](=O)[O-])c(OC)c(C)c(Sc2c(C)ccc(C(=O)[O-])c2[N+](=O)[O-])c1[N+](=O)[O-]	ZINC000100933272	569776495	/nfs/dbraw/zinc/77/64/95/569776495.db2.gz	ZQLTXXMEHOGJHB-UHFFFAOYSA-N	-1	0	481.395	3.673	40	5		JHBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@@H]1OC(=O)c2ccccc21	ZINC000102960709	569830058	/nfs/dbraw/zinc/83/00/58/569830058.db2.gz	JMOOMEDXBBTHEC-NFBKMPQASA-N	-1	0	476.416	3.961	40	5		JHBBRM
CCOC(=O)CSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])cc2s1	ZINC000408748937	570033389	/nfs/dbraw/zinc/03/33/89/570033389.db2.gz	CVAASWWHQFAYIH-UHFFFAOYSA-N	-1	0	461.477	3.810	40	5		JHBBRM
O=C([O-])CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O	ZINC000409127868	570138854	/nfs/dbraw/zinc/13/88/54/570138854.db2.gz	KEDMMUWHXFGSDC-MLPAPPSSSA-N	-1	0	453.226	3.738	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2[O-])C1=O)Nc1cccc(F)c1	ZINC000409230286	570177616	/nfs/dbraw/zinc/17/76/16/570177616.db2.gz	CXTPVUYMCKOWMW-LHHJGKSTSA-N	-1	0	451.819	3.768	40	5		JHBBRM
COc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@H](C)C(=O)[O-]	ZINC000409247207	570184667	/nfs/dbraw/zinc/18/46/67/570184667.db2.gz	CMFIBRKESGLSBH-HJPCULJESA-N	-1	0	458.448	3.692	40	5		JHBBRM
COc1cccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1O[C@@H](C)C(=O)[O-]	ZINC000409247209	570184690	/nfs/dbraw/zinc/18/46/90/570184690.db2.gz	CMFIBRKESGLSBH-NJPLLEPOSA-N	-1	0	458.448	3.692	40	5		JHBBRM
O=c1/c(=C\c2cc([N+](=O)[O-])ccc2[O-])sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1	ZINC000058865130	195385565	/nfs/dbraw/zinc/38/55/65/195385565.db2.gz	YWOKQAFSJTYMSC-XXMKCSCWSA-N	-1	0	481.533	3.933	40	5		JHBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2cc(Br)ccc2OCc2ccccc2[N+](=O)[O-])[nH]1	ZINC000033626758	569629112	/nfs/dbraw/zinc/62/91/12/569629112.db2.gz	QELNWOUUDNVKIB-FNORWQNLSA-N	-1	0	489.238	3.804	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc(Br)c1	ZINC000035131342	569675338	/nfs/dbraw/zinc/67/53/38/569675338.db2.gz	BBOURLTVYGBYEB-FNORWQNLSA-N	-1	0	488.250	3.544	40	5		JHBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102946605	569829721	/nfs/dbraw/zinc/82/97/21/569829721.db2.gz	AXZLBPACMVJUEU-KNQAVFIVSA-N	-1	0	462.389	3.652	40	5		JHBBRM
Cc1ccc(C)c(NS(=O)(=O)c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1	ZINC000107753258	569857266	/nfs/dbraw/zinc/85/72/66/569857266.db2.gz	YYKKNSRBFIQYFT-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
COc1cc(OC)cc(-c2nc(SC(=Cc3ccc(OC)c([N+](=O)[O-])c3)C(=O)[O-])n[nH]2)c1	ZINC000408634234	569985058	/nfs/dbraw/zinc/98/50/58/569985058.db2.gz	SKWKVHSHSIVVFJ-IDUWFGFVSA-N	-1	0	458.452	3.624	40	5		JHBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c1[O-]	ZINC000408932164	570080446	/nfs/dbraw/zinc/08/04/46/570080446.db2.gz	BIPGXHIQDIRWGL-MFOYZWKCSA-N	-1	0	457.464	3.683	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409161025	570152013	/nfs/dbraw/zinc/15/20/13/570152013.db2.gz	SNTUHJOLTRTOMZ-RQZCQDPDSA-N	-1	0	457.464	3.601	40	5		JHBBRM
Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)C(C)C)c1	ZINC000409173480	570155871	/nfs/dbraw/zinc/15/58/71/570155871.db2.gz	ISFMLGKYYGWGAW-FQEVSTJZSA-N	-1	0	498.565	3.595	40	5		JHBBRM
O=C(CN1C(=O)SC(=Cc2ccc([O-])c([N+](=O)[O-])c2)C1=O)c1ccc(Br)cc1	ZINC000409223672	570175270	/nfs/dbraw/zinc/17/52/70/570175270.db2.gz	JEXUZPBUKNEWIU-LZYBPNLTSA-N	-1	0	463.265	3.982	40	5		JHBBRM
CCc1nnc(SCc2ccccc2)n1[N-]C(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1	ZINC000014269263	555758136	/nfs/dbraw/zinc/75/81/36/555758136.db2.gz	IKXFTGFSZSLHBM-UHFFFAOYSA-N	-1	0	456.553	3.608	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1Br	ZINC000035107633	569674987	/nfs/dbraw/zinc/67/49/87/569674987.db2.gz	NRYSTRBVPULPRC-SOFGYWHQSA-N	-1	0	488.250	3.544	40	5		JHBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1	ZINC000408923027	570077647	/nfs/dbraw/zinc/07/76/47/570077647.db2.gz	DRQWLCSMNKOUOZ-UHFFFAOYSA-N	-1	0	471.491	3.974	40	5		JHBBRM
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409239198	570181158	/nfs/dbraw/zinc/18/11/58/570181158.db2.gz	GWPBVLYMBQZANH-LZYBPNLTSA-N	-1	0	461.427	3.513	40	5		JHBBRM
COc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409315388	570200069	/nfs/dbraw/zinc/20/00/69/570200069.db2.gz	IPYMIOCOTPWBDY-DJWKRKHSSA-N	-1	0	471.338	3.584	40	5		JHBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000014270371	555762630	/nfs/dbraw/zinc/76/26/30/555762630.db2.gz	GDYVNTRHPZONFK-UHFFFAOYSA-N	-1	0	471.322	3.571	40	5		JHBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3F)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000108991492	569860236	/nfs/dbraw/zinc/86/02/36/569860236.db2.gz	VTEVTXABQQBINC-APSNUPSMSA-N	-1	0	479.417	3.652	40	5		JHBBRM
O=c1/c(=C\c2cc([N+](=O)[O-])ccc2[O-])sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1	ZINC000408777291	570040582	/nfs/dbraw/zinc/04/05/82/570040582.db2.gz	XNGNZUVYGLVMRW-RQLGBQGVSA-N	-1	0	487.562	3.994	40	5		JHBBRM
O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccc([O-])c([N+](=O)[O-])c1	ZINC000409170209	570154673	/nfs/dbraw/zinc/15/46/73/570154673.db2.gz	URRIBKRJRMYLFL-UHFFFAOYSA-N	-1	0	456.480	3.916	40	5		JHBBRM
O=C1NC(=Cc2cc([N+](=O)[O-])cc(I)c2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000409239814	570181417	/nfs/dbraw/zinc/18/14/17/570181417.db2.gz	QQJKLIVPWHHKKQ-AWNIVKPZSA-N	-1	0	485.621	3.656	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br	ZINC000409328641	570203102	/nfs/dbraw/zinc/20/31/02/570203102.db2.gz	ZGLCAGPUVFMOHF-OVCLIPMQSA-N	-1	0	478.280	3.738	40	5		JHBBRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)c(OC)c1	ZINC000408566830	570203881	/nfs/dbraw/zinc/20/38/81/570203881.db2.gz	PEYYVOOYYPMHTA-UHFFFAOYSA-N	-1	0	471.491	3.974	40	5		JHBBRM
O=C(Nc1ccc([N+](=O)[O-])cc1)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102946599	130423291	/nfs/dbraw/zinc/42/32/91/130423291.db2.gz	AXZLBPACMVJUEU-UGKGYDQZSA-N	-1	0	462.389	3.652	40	5		JHBBRM
O=C(Nc1nnc(-c2ccccc2)o1)c1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	ZINC000009062088	554879303	/nfs/dbraw/zinc/87/93/03/554879303.db2.gz	GWBASUNEDYTOFT-UHFFFAOYSA-N	-1	0	465.447	3.698	40	5		JHBBRM
O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1	ZINC000009064933	554884475	/nfs/dbraw/zinc/88/44/75/554884475.db2.gz	MVZXDUSXRXCMEN-UHFFFAOYSA-N	-1	0	471.322	3.571	40	5		JHBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1	ZINC000022520070	523844355	/nfs/dbraw/zinc/84/43/55/523844355.db2.gz	LVORXDMZBFVFNV-UHFFFAOYSA-N	-1	0	491.547	3.655	40	5		JHBBRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000022526699	524590698	/nfs/dbraw/zinc/59/06/98/524590698.db2.gz	KYNJADLUQXEINY-UHFFFAOYSA-N	-1	0	487.563	3.674	40	5		JHBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409180367	570158927	/nfs/dbraw/zinc/15/89/27/570158927.db2.gz	RRTOEJDGXUMACW-ZDLGFXPLSA-N	-1	0	471.491	3.991	40	5		JHBBRM
COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccccc3[N+](=O)[O-])cc2)c1	ZINC000409182273	570159725	/nfs/dbraw/zinc/15/97/25/570159725.db2.gz	JOPIXJOUGKGQRE-UHFFFAOYSA-N	-1	0	471.491	3.594	40	5		JHBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1[O-]	ZINC000409228360	570176555	/nfs/dbraw/zinc/17/65/55/570176555.db2.gz	XUVFLNBEKOJHQN-VIZOYTHASA-N	-1	0	463.855	3.637	40	5		JHBBRM
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)c(OC)c1	ZINC000408563117	570202127	/nfs/dbraw/zinc/20/21/27/570202127.db2.gz	ITWLOSQWJIIGCQ-UHFFFAOYSA-N	-1	0	471.491	3.974	40	5		JHBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)C(=C([O-])c1ccccc1F)[C@H]1OC(=O)c2ccccc21	ZINC000102960703	130428445	/nfs/dbraw/zinc/42/84/45/130428445.db2.gz	JMOOMEDXBBTHEC-OFNKIYASSA-N	-1	0	476.416	3.961	40	5		JHBBRM
COc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1	ZINC000020153094	555671563	/nfs/dbraw/zinc/67/15/63/555671563.db2.gz	SGUQPIDGYZLSRO-UHFFFAOYSA-N	-1	0	472.523	3.665	40	5		JHBBRM
COc1ccc(CCNC(=O)c2ccccc2[N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1OC	ZINC000014401935	555807103	/nfs/dbraw/zinc/80/71/03/555807103.db2.gz	YXEOTHMWXICNCC-UHFFFAOYSA-N	-1	0	499.545	3.694	40	5		JHBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c1[O-]	ZINC000408877662	570061786	/nfs/dbraw/zinc/06/17/86/570061786.db2.gz	XJOOCJCXLBRWLL-PXNMLYILSA-N	-1	0	461.427	3.513	40	5		JHBBRM
O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000408962686	570086519	/nfs/dbraw/zinc/08/65/19/570086519.db2.gz	ZYWGLNNJKBQWDI-BKUYFWCQSA-N	-1	0	473.441	3.965	40	5		JHBBRM
CC(C)c1cccc(N[C@H]2CC[C@@H](C(=O)[N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]2O)c1	ZINC000257199653	570107551	/nfs/dbraw/zinc/10/75/51/570107551.db2.gz	AAHDPHSPLYFVAD-XGRCMKMKSA-N	-1	0	475.567	3.555	40	5		JHBBRM
CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(OCC)c([O-])c([N+](=O)[O-])c3)C2=O)cc1	ZINC000409093995	570125857	/nfs/dbraw/zinc/12/58/57/570125857.db2.gz	CKSHSUNHCJWLPF-WOJGMQOQSA-N	-1	0	487.490	3.773	40	5		JHBBRM
CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409164308	570152835	/nfs/dbraw/zinc/15/28/35/570152835.db2.gz	GMPGDHXCAHDRQM-ZDLGFXPLSA-N	-1	0	471.491	3.991	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C1=O)Nc1ccccc1Cl	ZINC000409233739	570178775	/nfs/dbraw/zinc/17/87/75/570178775.db2.gz	WKBYXJGMAIGYCG-MKMNVTDBSA-N	-1	0	478.826	3.537	40	5		JHBBRM
O=C([O-])c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000016384484	526343533	/nfs/dbraw/zinc/34/35/33/526343533.db2.gz	LJNBCRTXMRVOTH-UHFFFAOYSA-N	-1	0	458.677	3.836	40	5		JHBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(I)ccc1Cl	ZINC000037090553	569781289	/nfs/dbraw/zinc/78/12/89/569781289.db2.gz	SDEZGGNTEKMABE-UHFFFAOYSA-N	-1	0	477.667	3.685	40	5		JHBBRM
CCn1c(SCC(=O)Nc2ccc([O-])c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C	ZINC000409161413	570152121	/nfs/dbraw/zinc/15/21/21/570152121.db2.gz	UTKXVYZFRDFYAR-FQEVSTJZSA-N	-1	0	498.565	3.770	40	5		JHBBRM
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1	ZINC000020493039	527025005	/nfs/dbraw/zinc/02/50/05/527025005.db2.gz	UZOHLBHVHIZSNK-UHFFFAOYSA-N	-1	0	458.521	3.663	40	5		JHBBRM
Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cc(C(=O)[O-])c1O	ZINC000020153275	555672081	/nfs/dbraw/zinc/67/20/81/555672081.db2.gz	VQZQHTHGQUJXTI-UHFFFAOYSA-N	-1	0	472.523	3.670	40	5		JHBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1	ZINC000026118926	556248205	/nfs/dbraw/zinc/24/82/05/556248205.db2.gz	XHHOIGYJXDRLCU-UHFFFAOYSA-N	-1	0	479.580	3.998	40	5		JHBBRM
CCOc1cccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c1OCC(=O)[O-]	ZINC000106728614	569855209	/nfs/dbraw/zinc/85/52/09/569855209.db2.gz	DWNUUEXGKGAXOI-YVLHZVERSA-N	-1	0	458.448	3.693	40	5		JHBBRM
CCOc1ccc(C(=O)NC(=S)[N-]n2c(CC)nnc2SCc2ccccc2)cc1[N+](=O)[O-]	ZINC000008832765	554728165	/nfs/dbraw/zinc/72/81/65/554728165.db2.gz	YPHJMTGTGLRVPH-UHFFFAOYSA-N	-1	0	486.579	3.698	40	5		JHBBRM
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)n1	ZINC000013882993	555640635	/nfs/dbraw/zinc/64/06/35/555640635.db2.gz	LFIAWEUUQMGZTF-UHFFFAOYSA-N	-1	0	461.887	3.708	40	5		JHBBRM
Cc1cc(C(=O)[O-])ccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	ZINC000020153265	555672129	/nfs/dbraw/zinc/67/21/29/555672129.db2.gz	RVEZNFCNOJRUFP-UHFFFAOYSA-N	-1	0	456.524	3.965	40	5		JHBBRM
O=C([O-])c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(Cl)cc1Cl	ZINC000020153292	555672135	/nfs/dbraw/zinc/67/21/35/555672135.db2.gz	WDQOHDYQYACUFR-UHFFFAOYSA-N	-1	0	499.332	3.563	40	5		JHBBRM
Cc1cccc(C)c1NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000033873945	569636883	/nfs/dbraw/zinc/63/68/83/569636883.db2.gz	GZPHIFFZZCPQKR-UHFFFAOYSA-N	-1	0	461.521	3.813	40	5		JHBBRM
O=c1/c(=C/c2ccc([O-])c([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1	ZINC000142841948	569867529	/nfs/dbraw/zinc/86/75/29/569867529.db2.gz	MTJIZKBBRQHNMH-LWUPDDLQSA-N	-1	0	481.533	3.933	40	5		JHBBRM
COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000409014409	570100567	/nfs/dbraw/zinc/10/05/67/570100567.db2.gz	PMNSJAZULMJSQO-XACIZNRCSA-N	-1	0	458.448	3.692	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409146794	570147417	/nfs/dbraw/zinc/14/74/17/570147417.db2.gz	KSXCZYAXYXTQEA-LZYBPNLTSA-N	-1	0	478.866	3.957	40	5		JHBBRM
Cc1noc(/C=C\c2cc(I)c([O-])c(I)c2)c1[N+](=O)[O-]	ZINC000408543324	570192093	/nfs/dbraw/zinc/19/20/93/570192093.db2.gz	OUENPDAEQUQCHD-IHWYPQMZSA-N	-1	0	498.014	3.976	40	5		JHBBRM
CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(CC(=O)[O-])cc3)cc2[N+](=O)[O-])CC1	ZINC000020153107	555671596	/nfs/dbraw/zinc/67/15/96/555671596.db2.gz	DCDGOIVYVOSEIY-UHFFFAOYSA-N	-1	0	456.524	3.585	40	5		JHBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1	ZINC000026116383	556246337	/nfs/dbraw/zinc/24/63/37/556246337.db2.gz	QOPYGYFNHGWJTC-UHFFFAOYSA-N	-1	0	465.553	3.752	40	5		JHBBRM
O=C(NC(=S)Nc1cc(Br)c([O-])c(Br)c1)c1cccc([N+](=O)[O-])c1	ZINC000032116597	556424454	/nfs/dbraw/zinc/42/44/54/556424454.db2.gz	NEJICIXJVAPVBM-UHFFFAOYSA-N	-1	0	475.118	3.952	40	5		JHBBRM
CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2Br)cc1[N+](=O)[O-]	ZINC000085342898	569709859	/nfs/dbraw/zinc/70/98/59/569709859.db2.gz	WAWPHCDIVXNXOB-UHFFFAOYSA-N	-1	0	468.285	3.581	40	5		JHBBRM
COc1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000409014408	570100614	/nfs/dbraw/zinc/10/06/14/570100614.db2.gz	PMNSJAZULMJSQO-HIPMGEKLSA-N	-1	0	458.448	3.692	40	5		JHBBRM
Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1	ZINC000020153255	555672079	/nfs/dbraw/zinc/67/20/79/555672079.db2.gz	AYXVVHTZVHZGRE-UHFFFAOYSA-N	-1	0	456.524	3.965	40	5		JHBBRM
Cn1[n-]c(-c2ccccc2)c(C(c2c(-c3ccccc3)[n-]n(C)c2=O)c2ccccc2[N+](=O)[O-])c1=O	ZINC000102953754	569829854	/nfs/dbraw/zinc/82/98/54/569829854.db2.gz	RKZLNEOKGFCKLH-DHIUTWEWSA-N	-1	0	481.512	3.663	40	5		JHBBRM
COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(OC)c([N+](=O)[O-])c3)C(=O)[O-])o2)c1	ZINC000408632256	569983601	/nfs/dbraw/zinc/98/36/01/569983601.db2.gz	IFDOZLIHBPMXJR-IDUWFGFVSA-N	-1	0	459.436	3.888	40	5		JHBBRM
COc1ccc(C)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1	ZINC000408922811	570077609	/nfs/dbraw/zinc/07/76/09/570077609.db2.gz	SNELKVMVZLWFPY-UHFFFAOYSA-N	-1	0	486.462	3.873	40	5		JHBBRM
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3[O-])C2=O)cc1C	ZINC000408928886	570079253	/nfs/dbraw/zinc/07/92/53/570079253.db2.gz	FRLDQDIAOGKAPB-FRKPEAEDSA-N	-1	0	472.435	3.500	40	5		JHBBRM
CCOc1cc(/C=C2/NC(=O)[N-]C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1	ZINC000409054464	570111089	/nfs/dbraw/zinc/11/10/89/570111089.db2.gz	GINKPMBQGKRDPF-OVCLIPMQSA-N	-1	0	462.256	3.515	40	5		JHBBRM
Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc([O-])c([N+](=O)[O-])c3)n2C)C(C)C)c1	ZINC000409173481	570155880	/nfs/dbraw/zinc/15/58/80/570155880.db2.gz	ISFMLGKYYGWGAW-HXUWFJFHSA-N	-1	0	498.565	3.595	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409180879	570159121	/nfs/dbraw/zinc/15/91/21/570159121.db2.gz	WWNGRJHEYFUAIR-RQZCQDPDSA-N	-1	0	457.464	3.601	40	5		JHBBRM
CCOc1cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000409312177	570199360	/nfs/dbraw/zinc/19/93/60/570199360.db2.gz	JYFUBFCJUDZWDW-CLFYSBASSA-N	-1	0	454.395	3.852	40	5		JHBBRM
O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1[N-]S(=O)(=O)c1ccccc1[N+](=O)[O-]	ZINC000039767920	569811725	/nfs/dbraw/zinc/81/17/25/569811725.db2.gz	IAQUBIDOQXWTTG-UHFFFAOYSA-N	-1	0	465.447	3.698	40	5		JHBBRM
O=C(CN1C(=O)S/C(=C/c2ccc([O-])c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(Cl)c1	ZINC000409225138	570175672	/nfs/dbraw/zinc/17/56/72/570175672.db2.gz	OUSFIEMNOZOCEM-GIDUJCDVSA-N	-1	0	451.819	3.768	40	5		JHBBRM
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409238149	570180748	/nfs/dbraw/zinc/18/07/48/570180748.db2.gz	VYTAIAVJKFCTNQ-OVCLIPMQSA-N	-1	0	463.855	3.637	40	5		JHBBRM
O=C([O-])CNc1nc(Nc2cc(Cl)ccc2[N+](=O)[O-])cc(-c2cccc(OC(F)(F)F)c2)n1	ZINC000329042567	570182806	/nfs/dbraw/zinc/18/28/06/570182806.db2.gz	SNXGWMHKCHLLSH-UHFFFAOYSA-N	-1	0	483.790	3.688	40	5		JHBBRM