smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1[N+](=O)[O-]	ZINC000021123901	195279991	/nfs/dbraw/zinc/27/99/91/195279991.db2.gz	MRQFLONFMXHCSG-UHFFFAOYSA-N	-1	1	452.206	5.331	40	5		JKBBMM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000021305963	195293625	/nfs/dbraw/zinc/29/36/25/195293625.db2.gz	BAUKTZDDKUSGPB-RUDMXATFSA-N	-1	1	492.340	5.354	40	5		JKBBMM
O=C1[N-]C(=S)SC1=Cc1ccc2ccc3ccc(C=C4SC(=S)NC4=O)nc3c2n1	ZINC000016431677	527514752	/nfs/dbraw/zinc/51/47/52/527514752.db2.gz	QWKRISTZMDUFJG-PVRNWPCDSA-N	-1	1	466.594	5.441	40	5		JKBBMM
CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1	ZINC000008832869	554728627	/nfs/dbraw/zinc/72/86/27/554728627.db2.gz	SKVKEQOMIAYRHK-UHFFFAOYSA-N	-1	1	473.938	5.638	40	5		JKBBMM
CC(C)(C)c1cc(Cl)c([O-])c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	ZINC000008832999	554729447	/nfs/dbraw/zinc/72/94/47/554729447.db2.gz	NKIDTGPNLITCCZ-UHFFFAOYSA-N	-1	1	491.013	5.368	40	5		JKBBMM
Cc1c(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c([O-])c2)cccc1[N+](=O)[O-]	ZINC000016250136	556131335	/nfs/dbraw/zinc/13/13/35/556131335.db2.gz	ASFYLACCXGOYOI-UHFFFAOYSA-N	-1	1	464.528	5.012	40	5		JKBBMM
Cc1ccc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000408632324	569983607	/nfs/dbraw/zinc/98/36/07/569983607.db2.gz	DJSQPPDEVKZFTO-ODLFYWEKSA-N	-1	1	482.905	5.820	40	5		JKBBMM
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])o1	ZINC000408635300	569985633	/nfs/dbraw/zinc/98/56/33/569985633.db2.gz	YUKWEDAFZSGUHS-ODLFYWEKSA-N	-1	1	482.905	5.820	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408735217	570030097	/nfs/dbraw/zinc/03/00/97/570030097.db2.gz	OSBDZPKKEGZZNW-UHFFFAOYSA-N	-1	1	463.515	5.439	40	5		JKBBMM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000408921999	570077531	/nfs/dbraw/zinc/07/75/31/570077531.db2.gz	NSCHDXSMVPLYIU-LICLKQGHSA-N	-1	1	473.510	5.201	40	5		JKBBMM
O=c1[n-]c(-c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)nc2sc3c(c21)CCCCCC3	ZINC000408986700	570092625	/nfs/dbraw/zinc/09/26/25/570092625.db2.gz	DAQBZQSSEDLRPA-UHFFFAOYSA-N	-1	1	455.923	6.545	40	5		JKBBMM
O=c1[n-]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)nc2sc3c(c21)CCCC3	ZINC000408989751	570093643	/nfs/dbraw/zinc/09/36/43/570093643.db2.gz	IUKWYIMRTIUONJ-UHFFFAOYSA-N	-1	1	482.568	6.205	40	5		JKBBMM
Cc1nnc(Sc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCC5)cc2[N+](=O)[O-])s1	ZINC000408991950	570094307	/nfs/dbraw/zinc/09/43/07/570094307.db2.gz	PHKFTQORBAOFPZ-UHFFFAOYSA-N	-1	1	471.589	5.552	40	5		JKBBMM
O=c1[n-]c(-c2ccc(Sc3cccc4cccnc43)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000408993293	570094704	/nfs/dbraw/zinc/09/47/04/570094704.db2.gz	VLLVPQHRDFZSJB-UHFFFAOYSA-N	-1	1	486.578	6.550	40	5		JKBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1Cl	ZINC000409183892	570160236	/nfs/dbraw/zinc/16/02/36/570160236.db2.gz	WCKSPYJVTCQRGN-WLRTZDKTSA-N	-1	1	471.922	5.009	40	5		JKBBMM
O=c1[n-]c(-c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3	ZINC000409261041	570187595	/nfs/dbraw/zinc/18/75/95/570187595.db2.gz	AJSIEUGVLWTIEU-UHFFFAOYSA-N	-1	1	464.459	5.551	40	5		JKBBMM
O=c1[n-]c(-c2cccc(Oc3ccc(C(F)(F)F)cc3[N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000409265724	570188352	/nfs/dbraw/zinc/18/83/52/570188352.db2.gz	OEZHARAXERZLHG-UHFFFAOYSA-N	-1	1	487.459	6.662	40	5		JKBBMM
O=c1[n-]c(-c2ccccc2Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])nc2sc3c(c21)CCCC3	ZINC000409267766	570188757	/nfs/dbraw/zinc/18/87/57/570188757.db2.gz	XNBAAOIOBDBPTQ-UHFFFAOYSA-N	-1	1	487.459	6.662	40	5		JKBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000408574812	570205509	/nfs/dbraw/zinc/20/55/09/570205509.db2.gz	DNAWRCXUQAUMGF-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408576421	570205933	/nfs/dbraw/zinc/20/59/33/570205933.db2.gz	UPOQZOIFFVYFSK-UHFFFAOYSA-N	-1	1	481.917	5.455	40	5		JKBBMM
O=C([N-]c1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1sc2cc(Cl)ccc2c1Cl	ZINC000009062506	554880261	/nfs/dbraw/zinc/88/02/61/554880261.db2.gz	IOPUDJUQJXDNNK-UHFFFAOYSA-N	-1	1	451.316	5.887	40	5		JKBBMM
Cc1nc([N-]c2cc(Cl)ccc2Cl)nc(Nc2cc(Cl)ccc2Cl)c1[N+](=O)[O-]	ZINC000009761149	555485547	/nfs/dbraw/zinc/48/55/47/555485547.db2.gz	VVNUDNNUJBSYBE-UHFFFAOYSA-N	-1	1	459.120	6.794	40	5		JKBBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc([N+](=O)[O-])c1OCCCOc1ccc(Cl)cc1	ZINC000026580613	556257521	/nfs/dbraw/zinc/25/75/21/556257521.db2.gz	IMNBSEVXEATPTG-PDGQHHTCSA-N	-1	1	494.978	5.824	40	5		JKBBMM
O=C1[C@@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21	ZINC000102753798	569821093	/nfs/dbraw/zinc/82/10/93/569821093.db2.gz	CFQJURVDZRPFOM-AWCRTANDSA-N	-1	1	488.518	6.183	40	5		JKBBMM
COc1ccc([N+](=O)[O-])cc1-c1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])o1	ZINC000408633228	569984339	/nfs/dbraw/zinc/98/43/39/569984339.db2.gz	JDPJQCCPIQFXIR-ODLFYWEKSA-N	-1	1	498.904	5.520	40	5		JKBBMM
Cc1c(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)cccc1[N+](=O)[O-]	ZINC000408634064	569984935	/nfs/dbraw/zinc/98/49/35/569984935.db2.gz	OKAVIQIWAGJUKG-ODLFYWEKSA-N	-1	1	482.905	5.820	40	5		JKBBMM
O=C([O-])C(=Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408634763	569985262	/nfs/dbraw/zinc/98/52/62/569985262.db2.gz	UCXBXUFXEZEOIZ-WQRHYEAKSA-N	-1	1	468.878	5.511	40	5		JKBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[O-])n1	ZINC000408634737	569985309	/nfs/dbraw/zinc/98/53/09/569985309.db2.gz	XAZQYXXCQBTBKE-ODLFYWEKSA-N	-1	1	498.904	5.520	40	5		JKBBMM
Cc1sc2nc(-c3c(OCc4ccc([N+](=O)[O-])cc4)ccc4ccccc43)[n-]c(=O)c2c1C	ZINC000408734939	570029974	/nfs/dbraw/zinc/02/99/74/570029974.db2.gz	LSOZZZYDMKILNC-UHFFFAOYSA-N	-1	1	457.511	6.321	40	5		JKBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408906500	570070878	/nfs/dbraw/zinc/07/08/78/570070878.db2.gz	CBCKVYZTSHFJLZ-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cccc1[N+](=O)[O-]	ZINC000408921916	570077502	/nfs/dbraw/zinc/07/75/02/570077502.db2.gz	LKLHYADKNMCPHE-UHFFFAOYSA-N	-1	1	461.499	5.110	40	5		JKBBMM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000408926865	570078825	/nfs/dbraw/zinc/07/88/25/570078825.db2.gz	WOPATTHQNUGFEB-AWNIVKPZSA-N	-1	1	491.447	5.066	40	5		JKBBMM
O=c1[n-]c(-c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)o2)nc2sc3c(c21)CCCCC3	ZINC000408990783	570093901	/nfs/dbraw/zinc/09/39/01/570093901.db2.gz	MABZAEZKIHCOKE-UHFFFAOYSA-N	-1	1	496.595	6.595	40	5		JKBBMM
O=c1[n-]c(-c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)nc2sc3c(c21)CCCCCC3	ZINC000408993183	570094675	/nfs/dbraw/zinc/09/46/75/570094675.db2.gz	VPUBFBCLWDFPLO-UHFFFAOYSA-N	-1	1	461.543	6.210	40	5		JKBBMM
CCOc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409257327	570187072	/nfs/dbraw/zinc/18/70/72/570187072.db2.gz	QCLDEIFATMNCHP-UHFFFAOYSA-N	-1	1	471.391	6.120	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409260547	570187529	/nfs/dbraw/zinc/18/75/29/570187529.db2.gz	RWFZFJCBTCFZOB-UHFFFAOYSA-N	-1	1	463.515	5.439	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1cccc([N+](=O)[O-])c1	ZINC000409264056	570188067	/nfs/dbraw/zinc/18/80/67/570188067.db2.gz	JLPMFTGGTOMYOR-UHFFFAOYSA-N	-1	1	477.498	5.079	40	5		JKBBMM
COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1OCc1ccc([N+](=O)[O-])cc1	ZINC000409270333	570189132	/nfs/dbraw/zinc/18/91/32/570189132.db2.gz	PJYJKYOTPMXZBU-UHFFFAOYSA-N	-1	1	463.515	5.439	40	5		JKBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000408563777	570202360	/nfs/dbraw/zinc/20/23/60/570202360.db2.gz	PLIAVVCHRZOZFZ-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408573341	570205169	/nfs/dbraw/zinc/20/51/69/570205169.db2.gz	BRKRQNJHEDNATJ-UHFFFAOYSA-N	-1	1	499.854	5.320	40	5		JKBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000408573272	570205178	/nfs/dbraw/zinc/20/51/78/570205178.db2.gz	AGSSBSRCSKDYRF-UHFFFAOYSA-N	-1	1	481.917	5.455	40	5		JKBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000408573368	570205198	/nfs/dbraw/zinc/20/51/98/570205198.db2.gz	CWVAHOBNNMGNQL-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1[N+](=O)[O-]	ZINC000021124777	195280780	/nfs/dbraw/zinc/28/07/80/195280780.db2.gz	ZAHSYSUKFVSVOP-UHFFFAOYSA-N	-1	1	452.206	5.331	40	5		JKBBMM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1N1CCCCCC1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408634760	195481659	/nfs/dbraw/zinc/48/16/59/195481659.db2.gz	UBVOAKLGXBCYOV-XSFVSMFZSA-N	-1	1	499.980	5.632	40	5		JKBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c(Cl)c2)cc1	ZINC000020454126	525601279	/nfs/dbraw/zinc/60/12/79/525601279.db2.gz	BALQYXCWJGKRST-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000044847294	526088122	/nfs/dbraw/zinc/08/81/22/526088122.db2.gz	LEHGPXLCKWLAQZ-UHFFFAOYSA-N	-1	1	467.547	5.254	40	5		JKBBMM
O=C([N-]P(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]	ZINC000003121502	554426472	/nfs/dbraw/zinc/42/64/72/554426472.db2.gz	UDIDRYSXUGFECD-UHFFFAOYSA-N	-1	1	467.201	5.898	40	5		JKBBMM
Cc1c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)c(F)c2)cccc1[N+](=O)[O-]	ZINC000008810602	554691058	/nfs/dbraw/zinc/69/10/58/554691058.db2.gz	YGSLQZXFBJJWPK-UHFFFAOYSA-N	-1	1	498.319	5.402	40	5		JKBBMM
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1Cl	ZINC000026780015	556262115	/nfs/dbraw/zinc/26/21/15/556262115.db2.gz	MLSKOXSFNSPXLB-UHFFFAOYSA-N	-1	1	481.317	5.346	40	5		JKBBMM
Cc1cccc2c(=O)c3c([O-])cc(OC(=O)[C@H]4CC[C@H](CNC(=O)OC(C)(C)C)CC4)cc3oc12	ZINC000101375417	569795190	/nfs/dbraw/zinc/79/51/90/569795190.db2.gz	CWTXTJDQLLCPHB-CALCHBBNSA-N	-1	1	481.545	5.197	40	5		JKBBMM
Cc1ccc(-n2c(Sc3ccc([N+](=O)[O-])cn3)nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000408603990	569970196	/nfs/dbraw/zinc/97/01/96/569970196.db2.gz	HYWDPMFSYUTVMD-UHFFFAOYSA-N	-1	1	498.362	5.474	40	5		JKBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1C(=O)Nc1cccc(C(F)(F)F)c1	ZINC000408627057	569980885	/nfs/dbraw/zinc/98/08/85/569980885.db2.gz	XSMJLVTYTZDNES-UHFFFAOYSA-N	-1	1	493.463	5.284	40	5		JKBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)[O-])n1	ZINC000408631757	569983199	/nfs/dbraw/zinc/98/31/99/569983199.db2.gz	GESYKYOJEFUVJF-ODLFYWEKSA-N	-1	1	498.904	5.520	40	5		JKBBMM
COc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])o1	ZINC000408632626	569983896	/nfs/dbraw/zinc/98/38/96/569983896.db2.gz	FYHPBDPVIVHTJN-ODLFYWEKSA-N	-1	1	498.904	5.520	40	5		JKBBMM
O=C([O-])C(=Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408634785	569985290	/nfs/dbraw/zinc/98/52/90/569985290.db2.gz	UOGMCOIHJCZQJE-WQRHYEAKSA-N	-1	1	468.878	5.511	40	5		JKBBMM
O=c1[n-]c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)nc2sc3c(c21)CCCC3	ZINC000408735126	570030090	/nfs/dbraw/zinc/03/00/90/570030090.db2.gz	OHBFSRSFHQOSDR-UHFFFAOYSA-N	-1	1	483.549	6.583	40	5		JKBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000408907245	570071108	/nfs/dbraw/zinc/07/11/08/570071108.db2.gz	NKABBYQITJXJSF-VGOFMYFVSA-N	-1	1	471.922	5.009	40	5		JKBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000408906913	570071135	/nfs/dbraw/zinc/07/11/35/570071135.db2.gz	KLMIVLYLBFSEET-UHFFFAOYSA-N	-1	1	481.917	5.455	40	5		JKBBMM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1	ZINC000408923448	570077871	/nfs/dbraw/zinc/07/78/71/570077871.db2.gz	XYGXEQZFIQOIHB-KPKJPENVSA-N	-1	1	491.447	5.066	40	5		JKBBMM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2cccc3ccccc32)cc1	ZINC000408925113	570078305	/nfs/dbraw/zinc/07/83/05/570078305.db2.gz	MIYKKTYRMBOCMX-LFIBNONCSA-N	-1	1	473.510	5.201	40	5		JKBBMM
O=c1[n-]c(-c2ccc(Sc3ccccn3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCCC3	ZINC000408988083	570093112	/nfs/dbraw/zinc/09/31/12/570093112.db2.gz	CMDJTODFRYZNLL-UHFFFAOYSA-N	-1	1	450.545	5.787	40	5		JKBBMM
Cc1sc2nc(-c3ccc(SCC(=O)Nc4ccccc4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C	ZINC000408988866	570093406	/nfs/dbraw/zinc/09/34/06/570093406.db2.gz	GETORVOLOIGCCJ-UHFFFAOYSA-N	-1	1	466.544	5.320	40	5		JKBBMM
O=C(CSc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1[N+](=O)[O-])Nc1ccccc1	ZINC000408991278	570094103	/nfs/dbraw/zinc/09/41/03/570094103.db2.gz	NGLNZJWKNYPACZ-UHFFFAOYSA-N	-1	1	492.582	5.582	40	5		JKBBMM
O=c1[n-]c(-c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000408993888	570094975	/nfs/dbraw/zinc/09/49/75/570094975.db2.gz	XUGMKSYJYFPMSB-UHFFFAOYSA-N	-1	1	492.607	6.612	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409258619	570187297	/nfs/dbraw/zinc/18/72/97/570187297.db2.gz	VSIBPECYDUYICI-UHFFFAOYSA-N	-1	1	477.498	5.079	40	5		JKBBMM
COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409267764	570188748	/nfs/dbraw/zinc/18/87/48/570188748.db2.gz	XMRWZYPFUOKQPB-UHFFFAOYSA-N	-1	1	494.485	5.560	40	5		JKBBMM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)ccc1[N+](=O)[O-]	ZINC000408564657	570202800	/nfs/dbraw/zinc/20/28/00/570202800.db2.gz	ZVQYWUDVZUJKGF-UHFFFAOYSA-N	-1	1	461.499	5.110	40	5		JKBBMM
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)ccc1[N+](=O)[O-]	ZINC000021305748	195293701	/nfs/dbraw/zinc/29/37/01/195293701.db2.gz	MEIWYTZBCIZEJG-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1c(NC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)C)c([O-])c1S(=O)(=O)c1ccc(Cl)cc1	ZINC000026787011	556263306	/nfs/dbraw/zinc/26/33/06/556263306.db2.gz	AFRARCWKNRXJGK-UHFFFAOYSA-N	-1	1	488.949	5.471	40	5		JKBBMM
O=C1[N-]C(=O)C(=Cc2cc(-c3ccccc3)n(-c3ccc([N+](=O)[O-])cc3)c2-c2ccccc2)S1	ZINC000083311694	569708500	/nfs/dbraw/zinc/70/85/00/569708500.db2.gz	CFHPCJJKAHMYTK-XQNSMLJCSA-N	-1	1	467.506	6.043	40	5		JKBBMM
Cc1ccc(-n2c(Sc3ncccc3[N+](=O)[O-])nnc2-c2cc(Br)ccc2[O-])c(C)c1	ZINC000408606224	569971127	/nfs/dbraw/zinc/97/11/27/569971127.db2.gz	PFVJOGQYJCDBSG-UHFFFAOYSA-N	-1	1	498.362	5.474	40	5		JKBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccn2-c2cccc([N+](=O)[O-])c2)C(=O)[O-])n1	ZINC000408631824	569983183	/nfs/dbraw/zinc/98/31/83/569983183.db2.gz	LYFMZOWHDOOVPX-UNOMPAQXSA-N	-1	1	497.920	5.050	40	5		JKBBMM
O=C([O-])C(=Cc1c2ccccc2cc2ccccc21)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408631684	569983215	/nfs/dbraw/zinc/98/32/15/569983215.db2.gz	AJRRWGFWQKYTDM-HMAPJEAMSA-N	-1	1	457.942	6.649	40	5		JKBBMM
O=C([O-])C(=Cc1cccn1-c1cccc([N+](=O)[O-])c1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408632698	569984078	/nfs/dbraw/zinc/98/40/78/569984078.db2.gz	HBOMDEYLKYCNNO-PDGQHHTCSA-N	-1	1	467.894	5.042	40	5		JKBBMM
COc1ccc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)c([N+](=O)[O-])c1	ZINC000408633928	569984806	/nfs/dbraw/zinc/98/48/06/569984806.db2.gz	NRCLAAHAMADGRF-ODLFYWEKSA-N	-1	1	498.904	5.520	40	5		JKBBMM
Cc1ccc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)cc1[N+](=O)[O-]	ZINC000408634415	569985187	/nfs/dbraw/zinc/98/51/87/569985187.db2.gz	QXAYZKHMINBRRH-ODLFYWEKSA-N	-1	1	482.905	5.820	40	5		JKBBMM
O=c1[n-]c(-c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)nc2sc3c(c21)CCCC3	ZINC000409266923	570188594	/nfs/dbraw/zinc/18/85/94/570188594.db2.gz	ZBOSEJZTJLLLJB-UHFFFAOYSA-N	-1	1	464.459	5.551	40	5		JKBBMM
COc1cccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000409270579	570189145	/nfs/dbraw/zinc/18/91/45/570189145.db2.gz	QZCNEAMMTVNIEE-UHFFFAOYSA-N	-1	1	494.485	5.560	40	5		JKBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000408576373	570205917	/nfs/dbraw/zinc/20/59/17/570205917.db2.gz	SVSQTVGOYFQNCZ-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1	ZINC000022512549	526086732	/nfs/dbraw/zinc/08/67/32/526086732.db2.gz	LPRXETXZRWEDSI-UHFFFAOYSA-N	-1	1	452.532	5.233	40	5		JKBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-]	ZINC000020104276	555636536	/nfs/dbraw/zinc/63/65/36/555636536.db2.gz	MBSHKHGISOECPR-UHFFFAOYSA-N	-1	1	467.547	5.254	40	5		JKBBMM
CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3[O-])nc2c1	ZINC000014275084	555779272	/nfs/dbraw/zinc/77/92/72/555779272.db2.gz	WTGPCJBTMSFNRS-UHFFFAOYSA-N	-1	1	476.514	5.106	40	5		JKBBMM
COc1c([N+](=O)[O-])cc([N-]C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1[N+](=O)[O-]	ZINC000020528935	555793595	/nfs/dbraw/zinc/79/35/95/555793595.db2.gz	ABUYJAUIKBOWBU-UHFFFAOYSA-N	-1	1	452.206	5.331	40	5		JKBBMM
O=C([O-])C(=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408631742	569983234	/nfs/dbraw/zinc/98/32/34/569983234.db2.gz	BLOSTCUWZLTYKR-CPNJWEJPSA-N	-1	1	485.953	5.241	40	5		JKBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2c3ccccc3cc3ccccc32)C(=O)[O-])n1	ZINC000408632879	569984215	/nfs/dbraw/zinc/98/42/15/569984215.db2.gz	UPHKBACSZIVYJT-UCQKPKSFSA-N	-1	1	487.968	6.658	40	5		JKBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])n1	ZINC000408633593	569984619	/nfs/dbraw/zinc/98/46/19/569984619.db2.gz	OBDJFNKMFHYKJD-ODLFYWEKSA-N	-1	1	498.904	5.520	40	5		JKBBMM
O=C([O-])C(=Cc1ccc(-c2ccc(F)c([N+](=O)[O-])c2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408634964	569985441	/nfs/dbraw/zinc/98/54/41/569985441.db2.gz	VWAOGURWFQQSDQ-ZDLGFXPLSA-N	-1	1	486.868	5.650	40	5		JKBBMM
CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[n-]2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408734558	570029896	/nfs/dbraw/zinc/02/98/96/570029896.db2.gz	HZHFPQNOHMQNCS-UHFFFAOYSA-N	-1	1	451.504	5.567	40	5		JKBBMM
COc1cc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCCC5)o2)cc([N+](=O)[O-])c1OC	ZINC000408985375	570092156	/nfs/dbraw/zinc/09/21/56/570092156.db2.gz	LQMOCIYQEXPNDP-UHFFFAOYSA-N	-1	1	481.530	5.908	40	5		JKBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1cccc(Cl)c1	ZINC000408558308	570198972	/nfs/dbraw/zinc/19/89/72/570198972.db2.gz	QIUVTPJBUPMJOI-UHFFFAOYSA-N	-1	1	489.937	5.008	40	5		JKBBMM
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1[N+](=O)[O-]	ZINC000020458967	525612690	/nfs/dbraw/zinc/61/26/90/525612690.db2.gz	PJHPDIXDQDZSBQ-UHFFFAOYSA-N	-1	1	452.532	5.233	40	5		JKBBMM
O=C([O-])c1ccc(-c2nc3c([nH]2)c2cc(I)ccc2c2ccccc32)cc1	ZINC000006446941	526359429	/nfs/dbraw/zinc/35/94/29/526359429.db2.gz	CIYNUCQFDIVCLD-UHFFFAOYSA-N	-1	1	464.262	5.839	40	5		JKBBMM
CCOc1cc(C=C2SC(=S)[N-]C2=O)cc([N+](=O)[O-])c1OCCCOc1cccc(C)c1	ZINC000008993770	554854086	/nfs/dbraw/zinc/85/40/86/554854086.db2.gz	FYDHAQLAVLWLNE-UYRXBGFRSA-N	-1	1	474.560	5.479	40	5		JKBBMM
Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3[O-])oc2c(C)c1	ZINC000014275055	555779470	/nfs/dbraw/zinc/77/94/70/555779470.db2.gz	LPUXVTZLZQGHEX-UHFFFAOYSA-N	-1	1	476.514	5.161	40	5		JKBBMM
CC(C)(C)c1ccc(OCCOc2ccc([N+](=O)[O-])cc2C=C2SC(=S)[N-]C2=O)cc1	ZINC000032109513	556419262	/nfs/dbraw/zinc/41/92/62/556419262.db2.gz	FDHVOUJGKDQMTK-UYRXBGFRSA-N	-1	1	458.561	5.679	40	5		JKBBMM
COc1ccc([N+](=O)[O-])cc1CSc1nc2ccc([N-]S(=O)(=O)c3ccccc3)cc2s1	ZINC000059489714	569605938	/nfs/dbraw/zinc/60/59/38/569605938.db2.gz	NOTGIEUPWQCZHQ-UHFFFAOYSA-N	-1	1	487.584	5.306	40	5		JKBBMM
O=C1[N-]C(=S)NC1=Cc1cc(-c2ccccc2)n(-c2ccc([N+](=O)[O-])cc2)c1-c1ccccc1	ZINC000100477707	569761935	/nfs/dbraw/zinc/76/19/35/569761935.db2.gz	VCPSRTCCPWFBLI-JCMHNJIXSA-N	-1	1	466.522	5.065	40	5		JKBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000206442187	569874666	/nfs/dbraw/zinc/87/46/66/569874666.db2.gz	DTJPUSWDMACPAG-LGUFXXKBSA-N	-1	1	499.548	5.575	40	5		JKBBMM
COc1cc(OC)cc(-c2n[nH]c(SC(=Cc3c4ccccc4cc4ccccc43)C(=O)[O-])n2)c1	ZINC000408634685	569985316	/nfs/dbraw/zinc/98/53/16/569985316.db2.gz	WLRFEXNKQIZFKO-IWIPYMOSSA-N	-1	1	483.549	6.013	40	5		JKBBMM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccc(Oc3ccc(Cl)cc3Cl)cc2)ccc1F	ZINC000226862934	570039088	/nfs/dbraw/zinc/03/90/88/570039088.db2.gz	VACHVKCBOSZGAD-UHFFFAOYSA-N	-1	1	457.266	5.634	40	5		JKBBMM
COc1cc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCCC5)o2)cc([N+](=O)[O-])c1OC	ZINC000408987026	570092728	/nfs/dbraw/zinc/09/27/28/570092728.db2.gz	USKPURWVNWBGPC-UHFFFAOYSA-N	-1	1	467.503	5.518	40	5		JKBBMM
Cc1sc2nc(-c3ccc(Sc4nc5ccc([N+](=O)[O-])cc5s4)o3)[n-]c(=O)c2c1C	ZINC000408987119	570092752	/nfs/dbraw/zinc/09/27/52/570092752.db2.gz	ALEFLKQGEVXZHX-UHFFFAOYSA-N	-1	1	456.530	5.943	40	5		JKBBMM
COc1cc(-c2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)o2)cc([N+](=O)[O-])c1OC	ZINC000408987788	570092937	/nfs/dbraw/zinc/09/29/37/570092937.db2.gz	YELXRRGZEKHNFE-UHFFFAOYSA-N	-1	1	453.476	5.128	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408989553	570093481	/nfs/dbraw/zinc/09/34/81/570093481.db2.gz	LFISFLSUJOIHPV-UHFFFAOYSA-N	-1	1	477.542	5.829	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408994008	570095036	/nfs/dbraw/zinc/09/50/36/570095036.db2.gz	YBCWYJKWADIWPP-UHFFFAOYSA-N	-1	1	477.542	5.829	40	5		JKBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	ZINC000409172212	570155327	/nfs/dbraw/zinc/15/53/27/570155327.db2.gz	DDMCSYLBMQIWNU-WLRTZDKTSA-N	-1	1	471.922	5.009	40	5		JKBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000409182827	570159964	/nfs/dbraw/zinc/15/99/64/570159964.db2.gz	OXPZSVDJSRWJQT-WUXMJOGZSA-N	-1	1	471.922	5.009	40	5		JKBBMM
COc1ccc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)cc1OCc1ccccc1[N+](=O)[O-]	ZINC000409262680	570187772	/nfs/dbraw/zinc/18/77/72/570187772.db2.gz	GKQGLHIGOYJXRY-UHFFFAOYSA-N	-1	1	463.515	5.439	40	5		JKBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1Cl	ZINC000408573355	570205200	/nfs/dbraw/zinc/20/52/00/570205200.db2.gz	CHRLIVJMMXUWEE-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1Cl	ZINC000408574039	570205370	/nfs/dbraw/zinc/20/53/70/570205370.db2.gz	HOUQBUAQMBQHCV-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(Cl)cc(Cl)c3)cc2)cccc1[N+](=O)[O-]	ZINC000021305751	195293724	/nfs/dbraw/zinc/29/37/24/195293724.db2.gz	ULEHLPRDUUNWBD-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)c2)cc1	ZINC000020459493	525602353	/nfs/dbraw/zinc/60/23/53/525602353.db2.gz	JVBBXIJBGIZZSU-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3[O-])oc2c(C)c1	ZINC000014275057	555779361	/nfs/dbraw/zinc/77/93/61/555779361.db2.gz	MANMFALRXJQKJK-UHFFFAOYSA-N	-1	1	476.514	5.161	40	5		JKBBMM
Cc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1	ZINC000408617346	569976161	/nfs/dbraw/zinc/97/61/61/569976161.db2.gz	CQOFPOIPIIUTBO-UHFFFAOYSA-N	-1	1	493.463	5.284	40	5		JKBBMM
O=C([O-])C(=Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408631702	569983213	/nfs/dbraw/zinc/98/32/13/569983213.db2.gz	AQHARRDVDHHOKA-WQRHYEAKSA-N	-1	1	468.878	5.511	40	5		JKBBMM
COc1ccc(Cl)cc1-c1n[nH]c(SC(=Cc2cccn2-c2ccc([N+](=O)[O-])cc2)C(=O)[O-])n1	ZINC000408632886	569984127	/nfs/dbraw/zinc/98/41/27/569984127.db2.gz	UQZPVIBFKJMHAF-UNOMPAQXSA-N	-1	1	497.920	5.050	40	5		JKBBMM
Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000408923988	570078050	/nfs/dbraw/zinc/07/80/50/570078050.db2.gz	IWCPGCDOMQFYRG-MDWZMJQESA-N	-1	1	471.922	5.009	40	5		JKBBMM
O=c1[n-]c(-c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc32)nc2sc3c(c21)CCCCC3	ZINC000408987595	570093014	/nfs/dbraw/zinc/09/30/14/570093014.db2.gz	FVZUNZXDNRUPNG-UHFFFAOYSA-N	-1	1	497.576	6.973	40	5		JKBBMM
O=c1[n-]c(-c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)nc2sc3c(c21)CCCCCC3	ZINC000408988063	570093116	/nfs/dbraw/zinc/09/31/16/570093116.db2.gz	GSULAPFNMNJYHO-UHFFFAOYSA-N	-1	1	455.923	6.545	40	5		JKBBMM
CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408989055	570093364	/nfs/dbraw/zinc/09/33/64/570093364.db2.gz	JOZCWKVSMBDNGV-UHFFFAOYSA-N	-1	1	491.569	6.219	40	5		JKBBMM
Cc1sc2nc(-c3ccc(Sc4nc5ccccc5s4)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C	ZINC000408991590	570094222	/nfs/dbraw/zinc/09/42/22/570094222.db2.gz	OKFUWJPGGPYUGI-UHFFFAOYSA-N	-1	1	466.569	6.350	40	5		JKBBMM
Cc1sc2nc(-c3ccc(Sc4cccc5cccnc54)c([N+](=O)[O-])c3)[n-]c(=O)c2c1C	ZINC000408991750	570094249	/nfs/dbraw/zinc/09/42/49/570094249.db2.gz	PEOOWTHPOIVXMM-UHFFFAOYSA-N	-1	1	460.540	6.288	40	5		JKBBMM
Cc1nnc(Sc2ccc(-c3nc4sc5c(c4c(=O)[n-]3)CCCC5)cc2[N+](=O)[O-])s1	ZINC000408993688	570094899	/nfs/dbraw/zinc/09/48/99/570094899.db2.gz	WSDCOVYYDFMWSE-UHFFFAOYSA-N	-1	1	457.562	5.162	40	5		JKBBMM
O=c1[n-]c(-c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)nc2sc3c(c21)CCCCC3	ZINC000408994365	570095124	/nfs/dbraw/zinc/09/51/24/570095124.db2.gz	YYXBFXUKHGWOAD-UHFFFAOYSA-N	-1	1	486.347	6.264	40	5		JKBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000409179022	570158120	/nfs/dbraw/zinc/15/81/20/570158120.db2.gz	OWDUHPGYPHHGMW-WUXMJOGZSA-N	-1	1	471.922	5.009	40	5		JKBBMM
CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000409249309	570185334	/nfs/dbraw/zinc/18/53/34/570185334.db2.gz	HGUGTAMGQAMXMH-UHFFFAOYSA-N	-1	1	491.525	5.469	40	5		JKBBMM
CCOc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1cccc([N+](=O)[O-])c1	ZINC000409258228	570187285	/nfs/dbraw/zinc/18/72/85/570187285.db2.gz	XCVNRQKKSGGVLP-UHFFFAOYSA-N	-1	1	477.542	5.829	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCC4)ccc1OCc1ccccc1[N+](=O)[O-]	ZINC000409261557	570187607	/nfs/dbraw/zinc/18/76/07/570187607.db2.gz	CZVFHUIJAUSUGB-UHFFFAOYSA-N	-1	1	463.515	5.439	40	5		JKBBMM
O=c1[n-]c(-c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)nc2sc3c(c21)CCCC3	ZINC000409264139	570188031	/nfs/dbraw/zinc/18/80/31/570188031.db2.gz	PDBLTOXGXRMZBA-UHFFFAOYSA-N	-1	1	456.527	5.854	40	5		JKBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1cccc(Cl)c1	ZINC000408560053	570200278	/nfs/dbraw/zinc/20/02/78/570200278.db2.gz	ZUXZOOZYXRVOGO-UHFFFAOYSA-N	-1	1	489.937	5.008	40	5		JKBBMM
Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000408563204	570202073	/nfs/dbraw/zinc/20/20/73/570202073.db2.gz	KDVAGCGQZSHBGM-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000408574642	570205454	/nfs/dbraw/zinc/20/54/54/570205454.db2.gz	JONINGCAMAMJRB-UHFFFAOYSA-N	-1	1	499.854	5.320	40	5		JKBBMM
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1	ZINC000021305960	195293642	/nfs/dbraw/zinc/29/36/42/195293642.db2.gz	QSSAAJJSGDNCGQ-XCVCLJGOSA-N	-1	1	492.340	5.354	40	5		JKBBMM
Cc1ccc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3c3nc4ccccc4n32)cc1	ZINC000016310656	525615627	/nfs/dbraw/zinc/61/56/27/525615627.db2.gz	YDJKLRDZFHENMP-UHFFFAOYSA-N	-1	1	464.550	5.812	40	5		JKBBMM
CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)cc3[O-])nc2c1	ZINC000008835143	554733517	/nfs/dbraw/zinc/73/35/17/554733517.db2.gz	OYEKWFRVYDLTEM-UHFFFAOYSA-N	-1	1	476.514	5.106	40	5		JKBBMM
O=C1[C@H]2C(=C([O-])N1c1ccc(F)cc1)ON(c1ccccc1)[C@H]2c1c2ccccc2cc2ccccc21	ZINC000102753803	569821104	/nfs/dbraw/zinc/82/11/04/569821104.db2.gz	CFQJURVDZRPFOM-ULNSLHSMSA-N	-1	1	488.518	6.183	40	5		JKBBMM
CCN(CC)c1ccc([N+](=O)[O-])cc1C=C(Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)[O-]	ZINC000408632675	569983858	/nfs/dbraw/zinc/98/38/58/569983858.db2.gz	GTPDVRJOTAGVLI-LDADJPATSA-N	-1	1	473.942	5.097	40	5		JKBBMM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C=C(Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)[O-])o1	ZINC000408632938	569984219	/nfs/dbraw/zinc/98/42/19/569984219.db2.gz	HUZZIMJYFQMQEK-ODLFYWEKSA-N	-1	1	482.905	5.820	40	5		JKBBMM
Cc1cc(-c2ccc(C=C(Sc3nc(-c4ccc(Cl)cc4)n[nH]3)C(=O)[O-])o2)cc([N+](=O)[O-])c1C	ZINC000408633223	569984249	/nfs/dbraw/zinc/98/42/49/569984249.db2.gz	JCOSATSFWLYWDS-JAIQZWGSSA-N	-1	1	496.932	6.128	40	5		JKBBMM
O=C([O-])C(=Cc1cccn1-c1ccc([N+](=O)[O-])cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1	ZINC000408635005	569985557	/nfs/dbraw/zinc/98/55/57/569985557.db2.gz	WKMWTLIEIDRJCY-PDGQHHTCSA-N	-1	1	467.894	5.042	40	5		JKBBMM
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc4ccccc43)cc2)cc1[N+](=O)[O-]	ZINC000408910287	570072326	/nfs/dbraw/zinc/07/23/26/570072326.db2.gz	JKWAYAMMZSMJKS-UHFFFAOYSA-N	-1	1	461.499	5.110	40	5		JKBBMM
O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)/C(=C/c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000408921154	570077203	/nfs/dbraw/zinc/07/72/03/570077203.db2.gz	TUUIRHYSTXZFCL-LGUFXXKBSA-N	-1	1	499.548	5.575	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)c([N+](=O)[O-])cc1OCc1ccccc1	ZINC000408986730	570092582	/nfs/dbraw/zinc/09/25/82/570092582.db2.gz	DFWJFLRGTHDFSH-UHFFFAOYSA-N	-1	1	491.569	6.219	40	5		JKBBMM
O=c1[n-]c(-c2ccccc2OCc2ccc([N+](=O)[O-])cc2)nc2sc3c(c21)CCCCCC3	ZINC000408992948	570094559	/nfs/dbraw/zinc/09/45/59/570094559.db2.gz	VEORBUCKELEDQJ-UHFFFAOYSA-N	-1	1	461.543	6.210	40	5		JKBBMM
COc1cc(-c2nc3sc4c(c3c(=O)[n-]2)CCCCCC4)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408994342	570095134	/nfs/dbraw/zinc/09/51/34/570095134.db2.gz	YQCZNIPNGUYUQB-UHFFFAOYSA-N	-1	1	491.569	6.219	40	5		JKBBMM
COc1cc(-c2nc3ccccc3c(=O)[n-]2)ccc1Oc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000409256516	570186977	/nfs/dbraw/zinc/18/69/77/570186977.db2.gz	OYQCXTYYEZKVSC-UHFFFAOYSA-N	-1	1	457.364	5.730	40	5		JKBBMM
O=c1[n-]c(-c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)nc2sc3c(c21)CCCC3	ZINC000409259856	570187461	/nfs/dbraw/zinc/18/74/61/570187461.db2.gz	GRMVBXVEIXTQCJ-UHFFFAOYSA-N	-1	1	456.527	5.854	40	5		JKBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408559770	570200010	/nfs/dbraw/zinc/20/00/10/570200010.db2.gz	YSLQCKUWTLAXCE-UHFFFAOYSA-N	-1	1	489.937	5.008	40	5		JKBBMM
CCOc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(Cl)cc1	ZINC000408559826	570200042	/nfs/dbraw/zinc/20/00/42/570200042.db2.gz	ZHHVWYMYCUKBQI-UHFFFAOYSA-N	-1	1	489.937	5.008	40	5		JKBBMM
Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1Cl	ZINC000408573317	570205154	/nfs/dbraw/zinc/20/51/54/570205154.db2.gz	BAJKSBIBFMYLIU-UHFFFAOYSA-N	-1	1	480.329	5.263	40	5		JKBBMM