smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12	ZINC000009122849	132305026	/nfs/dbraw/zinc/30/50/26/132305026.db2.gz	DGZOVTGIRHWQLK-GCJKJVERSA-N	-1	0	436.493	2.944	50	5		IFBARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000013757224	556725204	/nfs/dbraw/zinc/72/52/04/556725204.db2.gz	WBLUOXAUDSSLTK-ZSFFSCSXSA-N	-1	0	449.419	2.771	50	5		IFBARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000113561200	557115899	/nfs/dbraw/zinc/11/58/99/557115899.db2.gz	CJCAFRQXYYATSM-ROJDOSBLSA-N	-1	0	441.421	2.598	50	5		IFBARM
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100077695	557230945	/nfs/dbraw/zinc/23/09/45/557230945.db2.gz	CJFCGLDRIYXXAK-NVXWUHKLSA-N	-1	0	442.815	2.546	50	5		IFBARM
CSCC[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000008826683	562964491	/nfs/dbraw/zinc/96/44/91/562964491.db2.gz	QMGWWINZGFBIID-CLEQQJOVSA-N	-1	0	443.481	2.688	50	5		IFBARM
Cn1ccnc1Sc1ccc([C@H]2[N-]S(=O)(=O)N=C3CCCCCN32)cc1[N+](=O)[O-]	ZINC000005983672	568739693	/nfs/dbraw/zinc/73/96/93/568739693.db2.gz	MJKYQWGTFXBDDM-INIZCTEOSA-N	-1	0	436.519	2.601	50	5		IFBARM
COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1	ZINC000027533993	569267250	/nfs/dbraw/zinc/26/72/50/569267250.db2.gz	XDAVHJAREORBNV-XLXASQRYSA-N	-1	0	441.440	2.600	50	5		IFBARM
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])c(Br)c2)C[C@H]1C(=O)[O-]	ZINC000095080821	569357007	/nfs/dbraw/zinc/35/70/07/569357007.db2.gz	RXAVPVJHKQGZLP-ZDUSSCGKSA-N	-1	0	430.255	2.868	50	5		IFBARM
Cc1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000095464836	569370514	/nfs/dbraw/zinc/37/05/14/569370514.db2.gz	OZTLRNJMDILQQN-IBGZPJMESA-N	-1	0	432.820	2.668	50	5		IFBARM
COc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000002817409	569422931	/nfs/dbraw/zinc/42/29/31/569422931.db2.gz	ABTQOHCFRSCRRV-PFSWGADMSA-N	-1	0	441.396	2.548	50	5		IFBARM
O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000008763678	569474393	/nfs/dbraw/zinc/47/43/93/569474393.db2.gz	KOBVYOOJDQINFH-SLEUVZQESA-N	-1	0	431.417	2.925	50	5		IFBARM
O=[N+]([O-])c1cccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1	ZINC000008763677	569474397	/nfs/dbraw/zinc/47/43/97/569474397.db2.gz	WXAQPJPABGAKLU-HUBLWGQQSA-N	-1	0	431.417	2.925	50	5		IFBARM
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@H]32)C1=O	ZINC000245325283	569503349	/nfs/dbraw/zinc/50/33/49/569503349.db2.gz	FDFUIIOYODATOM-KJKKEZGBSA-N	-1	0	430.461	2.838	50	5		IFBARM
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@@H]32)C1=O	ZINC000245325282	569503352	/nfs/dbraw/zinc/50/33/52/569503352.db2.gz	FDFUIIOYODATOM-JCZMEVJJSA-N	-1	0	430.461	2.838	50	5		IFBARM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000009128526	569505452	/nfs/dbraw/zinc/50/54/52/569505452.db2.gz	AUPSIKJSKYGKTF-UHFFFAOYSA-N	-1	0	427.504	2.735	50	5		IFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1	ZINC000009491922	569540437	/nfs/dbraw/zinc/54/04/37/569540437.db2.gz	KBGAPHSMRQXZHK-UHFFFAOYSA-N	-1	0	439.515	2.879	50	5		IFBARM
CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)nn1	ZINC000009650626	569556505	/nfs/dbraw/zinc/55/65/05/569556505.db2.gz	AFMPNPQETFKLBK-UHFFFAOYSA-N	-1	0	448.482	2.646	50	5		IFBARM
CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCc1ccc([N+](=O)[O-])cc1)C(=O)[O-]	ZINC000015722340	518836106	/nfs/dbraw/zinc/83/61/06/518836106.db2.gz	MLWRVKIJFVUCNO-HNNXBMFYSA-N	-1	0	425.438	2.969	50	5		IFBARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2ccc([N+](=O)[O-])cc2)s1	ZINC000020762396	527136728	/nfs/dbraw/zinc/13/67/28/527136728.db2.gz	NXIZSYQGFCJTKM-UHFFFAOYSA-N	-1	0	444.450	2.648	50	5		IFBARM
COc1ccc(S(=O)(=O)[N-]c2ccc(-n3nc(C)cc3NC(C)=O)cc2)c([N+](=O)[O-])c1	ZINC000032833612	556417636	/nfs/dbraw/zinc/41/76/36/556417636.db2.gz	ONTPWHHWZWKGKV-UHFFFAOYSA-N	-1	0	445.457	2.857	50	5		IFBARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccco1	ZINC000013757222	556725222	/nfs/dbraw/zinc/72/52/22/556725222.db2.gz	WBLUOXAUDSSLTK-YWXUCKCNSA-N	-1	0	449.419	2.771	50	5		IFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCC2)cc1	ZINC000000651258	557125180	/nfs/dbraw/zinc/12/51/80/557125180.db2.gz	XLQPKSZNZNBRJW-UHFFFAOYSA-N	-1	0	425.488	2.570	50	5		IFBARM
O=[N+]([O-])c1cccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1	ZINC000103159714	557427693	/nfs/dbraw/zinc/42/76/93/557427693.db2.gz	WXAQPJPABGAKLU-YWPYICTPSA-N	-1	0	431.417	2.925	50	5		IFBARM
O=[N+]([O-])c1cccc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1	ZINC000103159710	557427799	/nfs/dbraw/zinc/42/77/99/557427799.db2.gz	WXAQPJPABGAKLU-SLEUVZQESA-N	-1	0	431.417	2.925	50	5		IFBARM
O=C(CCc1ccccc1)[N-]S(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	ZINC000225690970	557764368	/nfs/dbraw/zinc/76/43/68/557764368.db2.gz	RFWHWCBQFMWSEJ-UHFFFAOYSA-N	-1	0	431.239	2.934	50	5		IFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(-c2ccc(N3CCOCC3)nn2)cc1	ZINC000009714653	562975901	/nfs/dbraw/zinc/97/59/01/562975901.db2.gz	FQUABALOUAUEFW-UHFFFAOYSA-N	-1	0	441.469	2.689	50	5		IFBARM
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccc([N+](=O)[O-])cc3)c(=O)c1-2	ZINC000016682625	568937598	/nfs/dbraw/zinc/93/75/98/568937598.db2.gz	KMWBBQOLMNGCIL-RDJZCZTQSA-N	-1	0	442.815	2.546	50	5		IFBARM
CC(C)(C)OC(=O)N1CCN(c2cc(Br)ccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725416	569083916	/nfs/dbraw/zinc/08/39/16/569083916.db2.gz	JKFYPZMROOQTGG-ZDUSSCGKSA-N	-1	0	430.255	2.868	50	5		IFBARM
CCc1c(C(=O)[O-])nnn1-c1cccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	ZINC000040146646	569492277	/nfs/dbraw/zinc/49/22/77/569492277.db2.gz	CZZXWPJKWCIATC-UHFFFAOYSA-N	-1	0	431.430	2.545	50	5		IFBARM
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001813038	569583543	/nfs/dbraw/zinc/58/35/43/569583543.db2.gz	ZLAWIQAEKBWOAN-UHFFFAOYSA-N	-1	0	434.455	2.870	50	5		IFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cc1Br	ZINC000095397962	569584245	/nfs/dbraw/zinc/58/42/45/569584245.db2.gz	XUJXLIPRTZLOSF-UHFFFAOYSA-N	-1	0	441.307	3.543	50	5		IFBARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000013544798	556696397	/nfs/dbraw/zinc/69/63/97/556696397.db2.gz	KJPDFZOACXKDKL-GRTQGXPSSA-N	-1	0	449.419	2.771	50	5		IFBARM
CC(C)(C)OC(=O)N1CCN(c2c(Br)cccc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725443	569083938	/nfs/dbraw/zinc/08/39/38/569083938.db2.gz	PUDUBAUGPSSYDE-LBPRGKRZSA-N	-1	0	430.255	2.868	50	5		IFBARM
CCNC(=O)COc1cccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(Cl)c2F)c1	ZINC000225554207	569404244	/nfs/dbraw/zinc/40/42/44/569404244.db2.gz	PPGHMJGAEZRKDC-UHFFFAOYSA-N	-1	0	431.829	2.703	50	5		IFBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-])CC[C@@H](C(C)(C)C)C3	ZINC000002778094	569420955	/nfs/dbraw/zinc/42/09/55/569420955.db2.gz	MKQRDMBRWCDNMY-LLVKDONJSA-N	-1	0	444.517	2.943	50	5		IFBARM
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)[N-]c1ccc(Oc2cccc(C(N)=O)c2)nc1	ZINC000058162217	569449132	/nfs/dbraw/zinc/44/91/32/569449132.db2.gz	KFTXATPSIORLRA-UHFFFAOYSA-N	-1	0	428.426	2.990	50	5		IFBARM
CC(C)C[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000008926025	569487192	/nfs/dbraw/zinc/48/71/92/569487192.db2.gz	OAZZMOWQUNORBD-HJDVLLJCSA-N	-1	0	425.441	2.981	50	5		IFBARM
O=C1c2cccnc2C(=O)N1Cc1ccc(S(=O)(=O)[N-]c2cccc([N+](=O)[O-])c2)s1	ZINC000020762345	527137427	/nfs/dbraw/zinc/13/74/27/527137427.db2.gz	PXHYMMQAUWOCMS-UHFFFAOYSA-N	-1	0	444.450	2.648	50	5		IFBARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000015746083	527648177	/nfs/dbraw/zinc/64/81/77/527648177.db2.gz	MFISJHWYBFLQDK-HJDVLLJCSA-N	-1	0	449.419	2.771	50	5		IFBARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12	ZINC000247356807	557009428	/nfs/dbraw/zinc/00/94/28/557009428.db2.gz	DGZOVTGIRHWQLK-PGRDOPGGSA-N	-1	0	436.493	2.944	50	5		IFBARM
CCOC(=O)N1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023157645	557030654	/nfs/dbraw/zinc/03/06/54/557030654.db2.gz	BCEZJYVRTFILGJ-HNNXBMFYSA-N	-1	0	446.489	2.577	50	5		IFBARM
CCO[P@](=O)([O-])c1cc2c(nc3c(C)cccn3c2=O)n(CCc2ccccc2)c1=N	ZINC000102436036	557322634	/nfs/dbraw/zinc/32/26/34/557322634.db2.gz	ZGSVMGZCNLTICA-UHFFFAOYSA-N	-1	0	438.424	2.527	50	5		IFBARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000002949132	562931097	/nfs/dbraw/zinc/93/10/97/562931097.db2.gz	MFISJHWYBFLQDK-LJLZWOEMSA-N	-1	0	449.419	2.771	50	5		IFBARM
CSCC[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000008826682	562964477	/nfs/dbraw/zinc/96/44/77/562964477.db2.gz	QMGWWINZGFBIID-NAVNFMRLSA-N	-1	0	443.481	2.688	50	5		IFBARM
CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1	ZINC000036673282	569132163	/nfs/dbraw/zinc/13/21/63/569132163.db2.gz	QRTDIDKOWDXLBU-INIZCTEOSA-N	-1	0	445.501	2.941	50	5		IFBARM
COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]c1cc([N+](=O)[O-])ccc1OC	ZINC000013140962	569311503	/nfs/dbraw/zinc/31/15/03/569311503.db2.gz	LCAFXVPLMILNCJ-UHFFFAOYSA-N	-1	0	445.247	2.953	50	5		IFBARM
Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cc(Cl)cc([N+](=O)[O-])c3[O-])C2=O)cc1	ZINC000095464835	569370546	/nfs/dbraw/zinc/37/05/46/569370546.db2.gz	OZTLRNJMDILQQN-LJQANCHMSA-N	-1	0	432.820	2.668	50	5		IFBARM
COc1nn(CCc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)cc1[N+](=O)[O-]	ZINC000002731310	569419353	/nfs/dbraw/zinc/41/93/53/569419353.db2.gz	ZMXGVSYWYUHQLV-UHFFFAOYSA-N	-1	0	426.462	2.883	50	5		IFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-]	ZINC000008426413	569464076	/nfs/dbraw/zinc/46/40/76/569464076.db2.gz	IYTLPDKTHXHMIX-UHFFFAOYSA-N	-1	0	439.515	2.879	50	5		IFBARM
O=[N+]([O-])c1ccc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000008763679	569474533	/nfs/dbraw/zinc/47/45/33/569474533.db2.gz	KOBVYOOJDQINFH-YWPYICTPSA-N	-1	0	431.417	2.925	50	5		IFBARM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCCC2)c1	ZINC000009356455	569525463	/nfs/dbraw/zinc/52/54/63/569525463.db2.gz	DXCMICNGJXAFSE-UHFFFAOYSA-N	-1	0	435.458	2.649	50	5		IFBARM
O=C(c1cnn(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1)c1cc(F)ccc1[O-]	ZINC000009589227	569549948	/nfs/dbraw/zinc/54/99/48/569549948.db2.gz	AAAISFJUTWCNBS-UHFFFAOYSA-N	-1	0	425.781	2.757	50	5		IFBARM
CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)nn1	ZINC000009650625	569556484	/nfs/dbraw/zinc/55/64/84/569556484.db2.gz	MESFJAFSBBTLLZ-UHFFFAOYSA-N	-1	0	448.482	2.646	50	5		IFBARM
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000006229111	193892603	/nfs/dbraw/zinc/89/26/03/193892603.db2.gz	FZVPGYMVAKRTEO-IZZDOVSWSA-N	-1	0	425.426	2.838	50	5		IFBARM
Cc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)[N-]c1cc(SC2CCCCC2)cc([N+](=O)[O-])c1	ZINC000020489242	525401140	/nfs/dbraw/zinc/40/11/40/525401140.db2.gz	LLOTYQZIIKTWIA-UHFFFAOYSA-N	-1	0	440.503	2.505	50	5		IFBARM
CCOC(=O)CN1C(=O)S/C(=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)C1=O	ZINC000013546555	556695913	/nfs/dbraw/zinc/69/59/13/556695913.db2.gz	OVYDELGGQGIXNU-YHYXMXQVSA-N	-1	0	431.220	2.662	50	5		IFBARM
O=[N+]([O-])c1ccc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000170623513	569148283	/nfs/dbraw/zinc/14/82/83/569148283.db2.gz	KOBVYOOJDQINFH-HUBLWGQQSA-N	-1	0	431.417	2.925	50	5		IFBARM
CC(C)OCCCNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000012466362	519763784	/nfs/dbraw/zinc/76/37/84/519763784.db2.gz	CEGFZGNVRFUVJU-GOSISDBHSA-N	-1	0	435.864	2.765	50	5		IFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1	ZINC000033019100	556665782	/nfs/dbraw/zinc/66/57/82/556665782.db2.gz	DHIQTOGNLMDXKF-HUUCEWRRSA-N	-1	0	433.486	2.953	50	5		IFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1	ZINC000033019101	556665795	/nfs/dbraw/zinc/66/57/95/556665795.db2.gz	DHIQTOGNLMDXKF-GASCZTMLSA-N	-1	0	433.486	2.953	50	5		IFBARM
O=C(NC[C@@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000061878104	556761745	/nfs/dbraw/zinc/76/17/45/556761745.db2.gz	GYUAVESTNBIEFA-ZDUSSCGKSA-N	-1	0	439.877	2.958	50	5		IFBARM
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000100077697	557231010	/nfs/dbraw/zinc/23/10/10/557231010.db2.gz	CJFCGLDRIYXXAK-DOTOQJQBSA-N	-1	0	442.815	2.546	50	5		IFBARM
O=C(NCc1ccccn1)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000000819465	557262683	/nfs/dbraw/zinc/26/26/83/557262683.db2.gz	HJWQKCBCLUPBPS-SFHVURJKSA-N	-1	0	426.816	2.545	50	5		IFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1	ZINC000009714617	562975794	/nfs/dbraw/zinc/97/57/94/562975794.db2.gz	MJQDNMUTBKUFKF-UHFFFAOYSA-N	-1	0	441.469	2.689	50	5		IFBARM
CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1	ZINC000015391749	568761679	/nfs/dbraw/zinc/76/16/79/568761679.db2.gz	QRTDIDKOWDXLBU-MRXNPFEDSA-N	-1	0	445.501	2.941	50	5		IFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)no1	ZINC000009730590	569297816	/nfs/dbraw/zinc/29/78/16/569297816.db2.gz	PDZGDPJIRONEMV-UHFFFAOYSA-N	-1	0	432.414	2.710	50	5		IFBARM
O=C1[N-]C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccc(F)cc1	ZINC000230055215	569419680	/nfs/dbraw/zinc/41/96/80/569419680.db2.gz	JFSQCMFCQWCEPE-LAUBAEHRSA-N	-1	0	440.387	2.605	50	5		IFBARM
Cc1nc2sc3c(c2c(=O)n1[N-]C(=O)c1nn(C)cc1[N+](=O)[O-])CC[C@H](C(C)(C)C)C3	ZINC000002778093	569420896	/nfs/dbraw/zinc/42/08/96/569420896.db2.gz	MKQRDMBRWCDNMY-NSHDSACASA-N	-1	0	444.517	2.943	50	5		IFBARM
COc1cc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000002817411	569422922	/nfs/dbraw/zinc/42/29/22/569422922.db2.gz	ABTQOHCFRSCRRV-DZZSIBQASA-N	-1	0	441.396	2.548	50	5		IFBARM
COc1ccccc1[N-]S(=O)(=O)c1ccc(O)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1	ZINC000009183616	569509896	/nfs/dbraw/zinc/50/98/96/569509896.db2.gz	WJYPVJMOLXCIGK-UHFFFAOYSA-N	-1	0	433.398	2.955	50	5		IFBARM
CCN(CC)S(=O)(=O)c1ccc(-n2cc(C(=O)c3ccccc3[O-])cn2)c([N+](=O)[O-])c1	ZINC000009630411	569553652	/nfs/dbraw/zinc/55/36/52/569553652.db2.gz	ZIMXKBYJZRRUBY-UHFFFAOYSA-N	-1	0	444.469	2.748	50	5		IFBARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000012364393	519731968	/nfs/dbraw/zinc/73/19/68/519731968.db2.gz	YYQJXVSXPDWHDZ-INIZCTEOSA-N	-1	0	441.849	2.701	50	5		IFBARM
CCCN1CCN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)[N-]c2ccccc2OC)CC1	ZINC000012525798	519860091	/nfs/dbraw/zinc/86/00/91/519860091.db2.gz	YNJWYAIWAMDANN-UHFFFAOYSA-N	-1	0	434.518	2.936	50	5		IFBARM
Cc1cc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)ccc1Br	ZINC000012771890	525420638	/nfs/dbraw/zinc/42/06/38/525420638.db2.gz	FIASFVYVMBJBLH-UHFFFAOYSA-N	-1	0	430.280	2.871	50	5		IFBARM
O=C(NC[C@H]1CCCO1)c1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000061878105	556761874	/nfs/dbraw/zinc/76/18/74/556761874.db2.gz	GYUAVESTNBIEFA-CYBMUJFWSA-N	-1	0	439.877	2.958	50	5		IFBARM
O=C(NCc1ccccn1)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000000819464	557262609	/nfs/dbraw/zinc/26/26/09/557262609.db2.gz	HJWQKCBCLUPBPS-GOSISDBHSA-N	-1	0	426.816	2.545	50	5		IFBARM
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N(C)Cc1cnn(C)c1	ZINC000024585734	557476054	/nfs/dbraw/zinc/47/60/54/557476054.db2.gz	SECRMBQCHBGZIX-UHFFFAOYSA-N	-1	0	431.474	2.774	50	5		IFBARM
O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000225856434	557785789	/nfs/dbraw/zinc/78/57/89/557785789.db2.gz	QZFPOHJYYRSVCT-OAHLLOKOSA-N	-1	0	428.825	2.896	50	5		IFBARM
CN(Cc1ccccc1)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-]	ZINC000008855469	562965269	/nfs/dbraw/zinc/96/52/69/562965269.db2.gz	OSJPIBMCUXAFST-UHFFFAOYSA-N	-1	0	433.486	2.717	50	5		IFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c1	ZINC000009714615	562975820	/nfs/dbraw/zinc/97/58/20/562975820.db2.gz	XQQABXNVCFXJIO-UHFFFAOYSA-N	-1	0	441.469	2.689	50	5		IFBARM
COc1cc(S(=O)(=O)[N-]c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-]	ZINC000089502517	568927743	/nfs/dbraw/zinc/92/77/43/568927743.db2.gz	NWPTYWJUHFZNNF-UHFFFAOYSA-N	-1	0	446.441	2.874	50	5		IFBARM
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000089646988	569160482	/nfs/dbraw/zinc/16/04/82/569160482.db2.gz	LIDXLFMRYRCPJH-UHFFFAOYSA-N	-1	0	439.515	2.879	50	5		IFBARM
O=C(NCc1cccnc1-n1ccnc1)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000241135477	569197782	/nfs/dbraw/zinc/19/77/82/569197782.db2.gz	JPPUOIVXJXOHOB-UHFFFAOYSA-N	-1	0	439.819	2.650	50	5		IFBARM
Cc1cc2c(nc(C)n([N-]C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)o3)c2=O)s1	ZINC000002778550	569420744	/nfs/dbraw/zinc/42/07/44/569420744.db2.gz	JIZOJZXWUIUAKS-UHFFFAOYSA-N	-1	0	442.457	2.822	50	5		IFBARM
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1	ZINC000002995074	569434900	/nfs/dbraw/zinc/43/49/00/569434900.db2.gz	LAQAGHMHOAVPGY-UHFFFAOYSA-N	-1	0	443.441	2.755	50	5		IFBARM
COc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000040143693	569491964	/nfs/dbraw/zinc/49/19/64/569491964.db2.gz	MXSYWDIZOJGYQA-KGLIPLIRSA-N	-1	0	425.850	2.753	50	5		IFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)c1	ZINC000009714654	132237211	/nfs/dbraw/zinc/23/72/11/132237211.db2.gz	NJICTOOEUDHISM-UHFFFAOYSA-N	-1	0	441.469	2.689	50	5		IFBARM
CCOc1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2NCCO)cc1OCC	ZINC000022990063	521210311	/nfs/dbraw/zinc/21/03/11/521210311.db2.gz	AAHYLEXKWOQWOT-UHFFFAOYSA-N	-1	0	425.463	2.597	50	5		IFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2cccc(C(C)=O)c2)c2cc([N+](=O)[O-])ccc21	ZINC000020558034	523401105	/nfs/dbraw/zinc/40/11/05/523401105.db2.gz	IHBYNUFURHTYPS-UHFFFAOYSA-N	-1	0	431.426	2.726	50	5		IFBARM
CN1CCN(c2cc(C(=O)c3cc(F)ccc3[O-])cn3c(=O)c4ccccc4nc23)CC1	ZINC000012782705	523924164	/nfs/dbraw/zinc/92/41/64/523924164.db2.gz	ZTADCONYJLUTRM-UHFFFAOYSA-N	-1	0	432.455	2.675	50	5		IFBARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000015746086	526305556	/nfs/dbraw/zinc/30/55/56/526305556.db2.gz	MFISJHWYBFLQDK-BIRYMOPTSA-N	-1	0	449.419	2.771	50	5		IFBARM
COc1cc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-]	ZINC000013546673	556695942	/nfs/dbraw/zinc/69/59/42/556695942.db2.gz	ABTQOHCFRSCRRV-RGZVIEDOSA-N	-1	0	441.396	2.548	50	5		IFBARM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1	ZINC000033019105	557320966	/nfs/dbraw/zinc/32/09/66/557320966.db2.gz	DHIQTOGNLMDXKF-GJZGRUSLSA-N	-1	0	433.486	2.953	50	5		IFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1cccc(-c2ccc(N3CCOCC3)nn2)c1	ZINC000009714613	562975826	/nfs/dbraw/zinc/97/58/26/562975826.db2.gz	DOIXBQBOOPTWOD-UHFFFAOYSA-N	-1	0	441.469	2.689	50	5		IFBARM
Cn1ccnc1Sc1ccc([C@@H]2[N-]S(=O)(=O)N=C3CCCCCN32)cc1[N+](=O)[O-]	ZINC000005980292	568739713	/nfs/dbraw/zinc/73/97/13/568739713.db2.gz	MJKYQWGTFXBDDM-MRXNPFEDSA-N	-1	0	436.519	2.601	50	5		IFBARM
COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1	ZINC000027533973	569267222	/nfs/dbraw/zinc/26/72/22/569267222.db2.gz	MGIXSPIVTFHECV-OVCORXIESA-N	-1	0	441.440	2.600	50	5		IFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)no1	ZINC000003310248	569445413	/nfs/dbraw/zinc/44/54/13/569445413.db2.gz	WXLROWKSFLGKBE-UHFFFAOYSA-N	-1	0	447.385	2.853	50	5		IFBARM
COc1ccc(NC(=O)[C@H]2CC2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000040143696	569491950	/nfs/dbraw/zinc/49/19/50/569491950.db2.gz	MXSYWDIZOJGYQA-KBPBESRZSA-N	-1	0	425.850	2.753	50	5		IFBARM
O=C1C[C@@H](c2ccc(Cl)cc2)n2nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nc2N1	ZINC000009242586	569514697	/nfs/dbraw/zinc/51/46/97/569514697.db2.gz	PAYYTZDDSKYOJI-ZDUSSCGKSA-N	-1	0	448.848	2.572	50	5		IFBARM
COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2N2CCOCC2)cc1[N+](=O)[O-]	ZINC000009877269	132330764	/nfs/dbraw/zinc/33/07/64/132330764.db2.gz	HXOMCIVQSWBVNL-UHFFFAOYSA-N	-1	0	427.866	2.894	50	5		IFBARM
CCOc1ccc([N-]S(=O)(=O)c2cn(CC(=O)OC)c3ccc([N+](=O)[O-])cc23)cc1	ZINC000020762277	521134755	/nfs/dbraw/zinc/13/47/55/521134755.db2.gz	ISIYMECDMUMJFE-UHFFFAOYSA-N	-1	0	433.442	2.922	50	5		IFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)no1	ZINC000011027044	556441701	/nfs/dbraw/zinc/44/17/01/556441701.db2.gz	SREVVUWMJGFHBX-UHFFFAOYSA-N	-1	0	447.385	2.853	50	5		IFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1	ZINC000001131476	568661531	/nfs/dbraw/zinc/66/15/31/568661531.db2.gz	BFVPZTQRLPKZBW-UHFFFAOYSA-N	-1	0	425.488	2.570	50	5		IFBARM
O=[N+]([O-])c1ccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)cc1	ZINC000001805999	568908541	/nfs/dbraw/zinc/90/85/41/568908541.db2.gz	KOBVYOOJDQINFH-ZOWXZIJZSA-N	-1	0	431.417	2.925	50	5		IFBARM
CC(C)(C)OC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Br)C[C@H]1C(=O)[O-]	ZINC000169725374	569083879	/nfs/dbraw/zinc/08/38/79/569083879.db2.gz	VCGXLNVMOUMYHR-ZDUSSCGKSA-N	-1	0	430.255	2.868	50	5		IFBARM
COc1cccc(C(=O)[N-]S(=O)(=O)c2cc(Br)c(F)cc2[N+](=O)[O-])c1	ZINC000225690892	569187805	/nfs/dbraw/zinc/18/78/05/569187805.db2.gz	PVGGKBTXOHIKHM-UHFFFAOYSA-N	-1	0	433.211	2.624	50	5		IFBARM
COc1ccccc1CN(CCO)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-]	ZINC000253418605	569266641	/nfs/dbraw/zinc/26/66/41/569266641.db2.gz	UVTKUZHCMZXENX-UHFFFAOYSA-N	-1	0	446.847	2.783	50	5		IFBARM
CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	ZINC000009906231	569298476	/nfs/dbraw/zinc/29/84/76/569298476.db2.gz	AMVCTUFIOYNMJY-UHFFFAOYSA-N	-1	0	427.504	2.735	50	5		IFBARM
CCCS(=O)(=O)[N-]c1cc(OC)ccc1S(=O)(=O)Oc1cccc([N+](=O)[O-])c1	ZINC000095445402	569367203	/nfs/dbraw/zinc/36/72/03/569367203.db2.gz	UGQOHWFFKKGUPU-UHFFFAOYSA-N	-1	0	430.460	2.523	50	5		IFBARM
COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc(C(=O)OC)c1	ZINC000004013148	569458156	/nfs/dbraw/zinc/45/81/56/569458156.db2.gz	YMIWWZYIUKWVDW-UHFFFAOYSA-N	-1	0	428.806	2.622	50	5		IFBARM
COC(=O)c1cc(NC(=O)c2cc(Br)c([N+](=O)[O-])[n-]2)cc(C(=O)OC)c1	ZINC000040119382	569489395	/nfs/dbraw/zinc/48/93/95/569489395.db2.gz	SMKWYSCEGMYQMD-UHFFFAOYSA-N	-1	0	426.179	2.511	50	5		IFBARM
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@H]32)C1=O	ZINC000245325285	569503329	/nfs/dbraw/zinc/50/33/29/569503329.db2.gz	FDFUIIOYODATOM-WCFVVXCVSA-N	-1	0	430.461	2.838	50	5		IFBARM
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2cc([N+](=O)[O-])ccc2Cl)cc1	ZINC000012364395	519731605	/nfs/dbraw/zinc/73/16/05/519731605.db2.gz	YYQJXVSXPDWHDZ-MRXNPFEDSA-N	-1	0	441.849	2.701	50	5		IFBARM
CCCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1	ZINC000012748758	519979142	/nfs/dbraw/zinc/97/91/42/519979142.db2.gz	RKDKCRCYRLMYPC-UHFFFAOYSA-N	-1	0	427.504	2.701	50	5		IFBARM
CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)cc1	ZINC000012816221	520053527	/nfs/dbraw/zinc/05/35/27/520053527.db2.gz	DPCKXPCLUUVRRY-UHFFFAOYSA-N	-1	0	433.895	2.656	50	5		IFBARM
COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@@H]2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1	ZINC000035830495	524109705	/nfs/dbraw/zinc/10/97/05/524109705.db2.gz	BYYHLKGUJXORNS-GOSISDBHSA-N	-1	0	443.412	2.689	50	5		IFBARM
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000035570616	526797147	/nfs/dbraw/zinc/79/71/47/526797147.db2.gz	HRSWXPBHQXZLBK-GRDNDAEWSA-N	-1	0	441.387	2.569	50	5		IFBARM
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000035570621	526797301	/nfs/dbraw/zinc/79/73/01/526797301.db2.gz	HRSWXPBHQXZLBK-JJRVBVJISA-N	-1	0	441.387	2.569	50	5		IFBARM
Cn1cc(C(=O)[O-])c(C(=O)Nc2c(Br)cc([N+](=O)[O-])cc2Br)n1	ZINC000020614530	527173100	/nfs/dbraw/zinc/17/31/00/527173100.db2.gz	YLTWXUGBSWPGTR-UHFFFAOYSA-N	-1	0	448.027	2.804	50	5		IFBARM
COc1cc(/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1O[C@H](C)C(=O)[O-]	ZINC000013546675	556695925	/nfs/dbraw/zinc/69/59/25/556695925.db2.gz	ABTQOHCFRSCRRV-GFQQVXNGSA-N	-1	0	441.396	2.548	50	5		IFBARM
CCOC(=O)N1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000023157648	557030661	/nfs/dbraw/zinc/03/06/61/557030661.db2.gz	BCEZJYVRTFILGJ-OAHLLOKOSA-N	-1	0	446.489	2.577	50	5		IFBARM
COc1ccc(C(=O)Nc2c(N)nc(SCc3cccc([N+](=O)[O-])c3)[n-]c2=O)cc1	ZINC000011612406	557208553	/nfs/dbraw/zinc/20/85/53/557208553.db2.gz	WVJVQRSSRJNOTG-UHFFFAOYSA-N	-1	0	427.442	2.814	50	5		IFBARM
CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000101802417	557299073	/nfs/dbraw/zinc/29/90/73/557299073.db2.gz	DVMWDHPFBBNXPP-UHFFFAOYSA-N	-1	0	448.439	2.880	50	5		IFBARM
O=C(C[C@@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1cc(Cl)c([N+](=O)[O-])cc1F	ZINC000225856413	557785759	/nfs/dbraw/zinc/78/57/59/557785759.db2.gz	QZFPOHJYYRSVCT-HNNXBMFYSA-N	-1	0	428.825	2.896	50	5		IFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)no1	ZINC000001916544	562925453	/nfs/dbraw/zinc/92/54/53/562925453.db2.gz	XATMZHKEFNYSTQ-UHFFFAOYSA-N	-1	0	432.414	2.710	50	5		IFBARM
O=C([O-])[C@@H](Cc1ccccc1)NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1	ZINC000002949137	562931106	/nfs/dbraw/zinc/93/11/06/562931106.db2.gz	MFISJHWYBFLQDK-CWDSQJGSSA-N	-1	0	449.419	2.771	50	5		IFBARM
Cc1ccc([N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCCC1	ZINC000009402789	562970028	/nfs/dbraw/zinc/97/00/28/562970028.db2.gz	MXSRHPOFRGFGCC-UHFFFAOYSA-N	-1	0	439.515	2.879	50	5		IFBARM
CC(C)(C)OC(=O)N1CCN(c2cccc(Br)c2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725352	569083942	/nfs/dbraw/zinc/08/39/42/569083942.db2.gz	OLPPKNNKFYWSJA-LBPRGKRZSA-N	-1	0	430.255	2.868	50	5		IFBARM
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)n1	ZINC000002729127	569418015	/nfs/dbraw/zinc/41/80/15/569418015.db2.gz	QIVZBFXSMXEMCV-UHFFFAOYSA-N	-1	0	427.442	2.675	50	5		IFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1	ZINC000009714655	132237165	/nfs/dbraw/zinc/23/71/65/132237165.db2.gz	MQWSDSQZXGMQKT-UHFFFAOYSA-N	-1	0	441.469	2.689	50	5		IFBARM
Cn1ncc(C(=O)[O-])c1C(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br	ZINC000020614964	527568772	/nfs/dbraw/zinc/56/87/72/527568772.db2.gz	SVOKZRSCZROXJF-UHFFFAOYSA-N	-1	0	448.027	2.804	50	5		IFBARM
Cc1cc([N-]S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCCO3)ccc1N1CCCC1=O	ZINC000032895577	556515146	/nfs/dbraw/zinc/51/51/46/556515146.db2.gz	KFGWJANDCWJGLB-UHFFFAOYSA-N	-1	0	447.469	2.992	50	5		IFBARM
COC(=O)c1ccc(/C=C2\SC(=O)N([N-]C(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1	ZINC000015745918	556547854	/nfs/dbraw/zinc/54/78/54/556547854.db2.gz	KOJLOKDFMAAIFX-GDNBJRDFSA-N	-1	0	427.394	2.763	50	5		IFBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@@H](O)C1	ZINC000023990893	557390223	/nfs/dbraw/zinc/39/02/23/557390223.db2.gz	USLNVJDLHADMQL-GFCCVEGCSA-N	-1	0	443.428	2.958	50	5		IFBARM
Cc1oc(C(=O)[N-]c2cc(C(F)(F)F)ncc2[N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	ZINC000253431983	569268569	/nfs/dbraw/zinc/26/85/69/569268569.db2.gz	ILBZNFWHPFDDBI-UHFFFAOYSA-N	-1	0	448.379	2.947	50	5		IFBARM
COc1ccc(NC(=O)[C@@H]2CC2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000040143698	569491971	/nfs/dbraw/zinc/49/19/71/569491971.db2.gz	MXSYWDIZOJGYQA-ZIAGYGMSSA-N	-1	0	425.850	2.753	50	5		IFBARM
O=C1C[C@H](c2ccc(Cl)cc2)n2nc([N-]S(=O)(=O)c3ccccc3[N+](=O)[O-])nc2N1	ZINC000009193009	569510856	/nfs/dbraw/zinc/51/08/56/569510856.db2.gz	PAYYTZDDSKYOJI-CYBMUJFWSA-N	-1	0	448.848	2.572	50	5		IFBARM
O=C(c1ccc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)N1CCOCC1	ZINC000009631545	569553735	/nfs/dbraw/zinc/55/37/35/569553735.db2.gz	IZPGNWVARLVFFM-UHFFFAOYSA-N	-1	0	425.850	2.521	50	5		IFBARM
O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c1	ZINC000071796242	569581466	/nfs/dbraw/zinc/58/14/66/569581466.db2.gz	DBDCAUWGMGVDAX-UHFFFAOYSA-N	-1	0	425.488	2.570	50	5		IFBARM
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	ZINC000006163034	193887470	/nfs/dbraw/zinc/88/74/70/193887470.db2.gz	ZWSJAXIHVNMQHR-AWEZNQCLSA-N	-1	0	429.248	2.852	50	5		IFBARM
COC(=O)Cn1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c2cc([N+](=O)[O-])ccc21	ZINC000020558000	523402559	/nfs/dbraw/zinc/40/25/59/523402559.db2.gz	YWUFZQWAGJTFAV-UHFFFAOYSA-N	-1	0	431.426	2.726	50	5		IFBARM
CCOC(=O)COc1c(Cl)cc(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])cc1Cl	ZINC000013943447	556974582	/nfs/dbraw/zinc/97/45/82/556974582.db2.gz	CNZSWVUFKCTLKL-ONEGZZNKSA-N	-1	0	430.200	2.803	50	5		IFBARM
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)nc(C)n1	ZINC000003291796	562933805	/nfs/dbraw/zinc/93/38/05/562933805.db2.gz	KLVHTCPJMRDZKJ-UHFFFAOYSA-N	-1	0	441.469	2.984	50	5		IFBARM
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004143553	568781950	/nfs/dbraw/zinc/78/19/50/568781950.db2.gz	CJFCGLDRIYXXAK-WBVHZDCISA-N	-1	0	442.815	2.546	50	5		IFBARM
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc(Br)cc1)c1cccc([N+](=O)[O-])c1	ZINC000006163031	568849333	/nfs/dbraw/zinc/84/93/33/568849333.db2.gz	ZWSJAXIHVNMQHR-CQSZACIVSA-N	-1	0	429.248	2.852	50	5		IFBARM
CC(C)(C)OC(=O)N1CCN(c2ccc(Br)cc2[N+](=O)[O-])C[C@H]1C(=O)[O-]	ZINC000169725427	569083873	/nfs/dbraw/zinc/08/38/73/569083873.db2.gz	AIBGSPPJQSEKJO-ZDUSSCGKSA-N	-1	0	430.255	2.868	50	5		IFBARM
COc1ccc(C(=O)N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N[C@H](C(=O)[O-])C(C)C)cc1	ZINC000027533990	569267212	/nfs/dbraw/zinc/26/72/12/569267212.db2.gz	XDAVHJAREORBNV-OVCORXIESA-N	-1	0	441.440	2.600	50	5		IFBARM
Cc1sc2nc(C)n([N-]C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c(=O)c2c1C	ZINC000002779560	569420773	/nfs/dbraw/zinc/42/07/73/569420773.db2.gz	LNFBSKMEURGLNO-UHFFFAOYSA-N	-1	0	428.430	2.513	50	5		IFBARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@@H]12	ZINC000009122847	132305007	/nfs/dbraw/zinc/30/50/07/132305007.db2.gz	DGZOVTGIRHWQLK-XMSQKQJNSA-N	-1	0	436.493	2.944	50	5		IFBARM
O=C([O-])c1ccccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1	ZINC000002955320	526395342	/nfs/dbraw/zinc/39/53/42/526395342.db2.gz	ZIJJXHQRIQVJBU-UHFFFAOYSA-N	-1	0	433.423	2.835	50	5		IFBARM
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2c(C)cccc2C(=O)N2CCC(O)CC2)c1C	ZINC000032926272	556655390	/nfs/dbraw/zinc/65/53/90/556655390.db2.gz	IDOKVEQHFIBYFP-UHFFFAOYSA-N	-1	0	447.513	2.918	50	5		IFBARM
O=[N+]([O-])c1cc([N+](=O)[O-])c([N-]c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1	ZINC000085433131	557346761	/nfs/dbraw/zinc/34/67/61/557346761.db2.gz	CBCIHIVRDWLAME-UHFFFAOYSA-N	-1	0	439.209	2.879	50	5	in-vivo	IFBARM
CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3[N+](=O)[O-])c(=O)c1-2	ZINC000004143554	568781959	/nfs/dbraw/zinc/78/19/59/568781959.db2.gz	CJFCGLDRIYXXAK-RDJZCZTQSA-N	-1	0	442.815	2.546	50	5		IFBARM
Cc1cnc([N+](=O)[O-])n1CCOC([O-])=NC(=O)c1cccc(OC(F)(F)C(F)F)c1	ZINC000001424292	568793549	/nfs/dbraw/zinc/79/35/49/568793549.db2.gz	VWDFXFNKIYWRNP-UHFFFAOYSA-N	-1	0	434.302	2.903	50	5		IFBARM
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])s3)cc2)ncn1	ZINC000001772160	568906185	/nfs/dbraw/zinc/90/61/85/568906185.db2.gz	ALMMLHQBVAKBLC-UHFFFAOYSA-N	-1	0	435.443	2.508	50	5		IFBARM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)cc1Br	ZINC000170609116	569144624	/nfs/dbraw/zinc/14/46/24/569144624.db2.gz	NUSLQOSDSFNDDN-UHFFFAOYSA-N	-1	0	438.263	2.798	50	5		IFBARM
CCCc1cc2c(nc(C)n([N-]C(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c2=O)s1	ZINC000002780764	569421047	/nfs/dbraw/zinc/42/10/47/569421047.db2.gz	YZQWWIXCSPBUHO-UHFFFAOYSA-N	-1	0	442.457	2.849	50	5		IFBARM
CCn1cc([N+](=O)[O-])c(C(=O)[N-]n2c(C)nc3sc4c(c3c2=O)CCCCCC4)n1	ZINC000002780536	569421097	/nfs/dbraw/zinc/42/10/97/569421097.db2.gz	XQKQQAWORFDUII-UHFFFAOYSA-N	-1	0	430.490	2.934	50	5		IFBARM
COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)[N-]c2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000003129717	569440574	/nfs/dbraw/zinc/44/05/74/569440574.db2.gz	QNIXJMRZLDLHFU-UHFFFAOYSA-N	-1	0	428.806	2.622	50	5		IFBARM
COc1cc([N+](=O)[O-])c(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[O-]	ZINC000040072743	569485980	/nfs/dbraw/zinc/48/59/80/569485980.db2.gz	UKBTWVBBTOHFNM-UHFFFAOYSA-N	-1	0	428.441	2.947	50	5		IFBARM
CCS(=O)(=O)c1ccc(-c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1	ZINC000009650627	569556533	/nfs/dbraw/zinc/55/65/33/569556533.db2.gz	QWAQLOMUVNDJFE-UHFFFAOYSA-N	-1	0	448.482	2.646	50	5		IFBARM
CC(C)OCCCNC(=O)C(=C([O-])c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O	ZINC000009763033	569566560	/nfs/dbraw/zinc/56/65/60/569566560.db2.gz	CEGFZGNVRFUVJU-SFHVURJKSA-N	-1	0	435.864	2.765	50	5		IFBARM
COc1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)ccc1Oc1ncccc1[N+](=O)[O-]	ZINC000012650336	521955294	/nfs/dbraw/zinc/95/52/94/521955294.db2.gz	HVHFGHSAFSXEDK-RIYZIHGNSA-N	-1	0	431.382	2.912	50	5		IFBARM
O=[N+]([O-])c1cc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000035958831	526797568	/nfs/dbraw/zinc/79/75/68/526797568.db2.gz	HRSWXPBHQXZLBK-VBQJREDUSA-N	-1	0	441.387	2.569	50	5		IFBARM
CCC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1	ZINC000225525835	557841259	/nfs/dbraw/zinc/84/12/59/557841259.db2.gz	DAFDGLWZOZTJHP-UHFFFAOYSA-N	-1	0	426.834	2.968	50	5		IFBARM
CCOC(=O)COc1ccc(Br)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000030840522	563083142	/nfs/dbraw/zinc/08/31/42/563083142.db2.gz	GKTPRSDDXINVGQ-HYXAFXHYSA-N	-1	0	440.206	2.671	50	5		IFBARM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1	ZINC000006025905	568740273	/nfs/dbraw/zinc/74/02/73/568740273.db2.gz	VEGIAAIUTJTZOR-BJMVGYQFSA-N	-1	0	425.426	2.838	50	5		IFBARM
Cc1cc([N-]c2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])ccc1Br	ZINC000016400897	568887822	/nfs/dbraw/zinc/88/78/22/568887822.db2.gz	WGXJIZHRRGXOHI-UHFFFAOYSA-N	-1	0	448.233	3.000	50	5		IFBARM
CCCCNC(=O)c1c([N-]S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])nc(C)n1C	ZINC000170617397	569147301	/nfs/dbraw/zinc/14/73/01/569147301.db2.gz	XVGKLKNQFALRAS-UHFFFAOYSA-N	-1	0	429.886	2.621	50	5		IFBARM
COC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000037355754	569170862	/nfs/dbraw/zinc/17/08/62/569170862.db2.gz	HUNZLQQOLDTSCI-OAHLLOKOSA-N	-1	0	431.474	2.687	50	5		IFBARM
O=C1[N-]C(=S)N(c2ccccc2)C(=O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCC[C@H]12	ZINC000230045675	569418872	/nfs/dbraw/zinc/41/88/72/569418872.db2.gz	DGZOVTGIRHWQLK-AVRDEDQJSA-N	-1	0	436.493	2.944	50	5		IFBARM
CCCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@@H]32)C1=O	ZINC000245325284	569503308	/nfs/dbraw/zinc/50/33/08/569503308.db2.gz	FDFUIIOYODATOM-VAAYTHEESA-N	-1	0	430.461	2.838	50	5		IFBARM
COc1ccc(C(=O)Nc2c(N)nc(SCc3ccc([N+](=O)[O-])cc3)[n-]c2=O)cc1	ZINC000009518118	569543902	/nfs/dbraw/zinc/54/39/02/569543902.db2.gz	ZQYNPPGABINLSW-UHFFFAOYSA-N	-1	0	427.442	2.814	50	5		IFBARM
COc1ccc(COC(=O)C2=C(C)NC(=O)N[C@H]2c2cc(OC)c([O-])c([N+](=O)[O-])c2)cc1	ZINC000035830493	524110086	/nfs/dbraw/zinc/11/00/86/524110086.db2.gz	BYYHLKGUJXORNS-SFHVURJKSA-N	-1	0	443.412	2.689	50	5		IFBARM
COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCC2)cc1[N+](=O)[O-]	ZINC000016099243	556582993	/nfs/dbraw/zinc/58/29/93/556582993.db2.gz	HKSANMDQZUDAEW-UHFFFAOYSA-N	-1	0	429.458	2.948	50	5		IFBARM
O=C([O-])C=CC(=O)Nc1cccc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)c1	ZINC000013576370	569155931	/nfs/dbraw/zinc/15/59/31/569155931.db2.gz	CJCAFRQXYYATSM-FDMDGMSGSA-N	-1	0	441.421	2.598	50	5		IFBARM
CC(C)C[C@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)C(=O)[O-]	ZINC000008926024	569487206	/nfs/dbraw/zinc/48/72/06/569487206.db2.gz	OAZZMOWQUNORBD-BIRYMOPTSA-N	-1	0	425.441	2.981	50	5		IFBARM
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1	ZINC000009668807	569557954	/nfs/dbraw/zinc/55/79/54/569557954.db2.gz	TUFCAGLBHGVVMD-UHFFFAOYSA-N	-1	0	439.515	2.960	50	5		IFBARM
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)Cc3nccn3C)cc2)cc1[N+](=O)[O-]	ZINC000012547395	525598002	/nfs/dbraw/zinc/59/80/02/525598002.db2.gz	CZYNQFGTACODBZ-UHFFFAOYSA-N	-1	0	443.485	2.710	50	5		IFBARM
CSc1nc(O)c(C(c2cccc([N+](=O)[O-])c2)c2c([O-])[nH]c(SC)nc2=O)c(=O)[nH]1	ZINC000013497049	556588566	/nfs/dbraw/zinc/58/85/66/556588566.db2.gz	XHGGYZWDQCMTBG-UHFFFAOYSA-N	-1	0	449.470	2.621	50	5		IFBARM
O=C([O-])[C@H](Cc1ccccc1)NC(=O)/C(=C/c1ccco1)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000013544800	556696485	/nfs/dbraw/zinc/69/64/85/556696485.db2.gz	KJPDFZOACXKDKL-STIKNRRDSA-N	-1	0	449.419	2.771	50	5		IFBARM
CCOc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000101802432	557299225	/nfs/dbraw/zinc/29/92/25/557299225.db2.gz	ALHGDRYZIRVZDF-UHFFFAOYSA-N	-1	0	448.439	2.880	50	5		IFBARM
O=[N+]([O-])c1cc([C@@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C(O)c2ccccc2)ccc1[O-]	ZINC000011691799	557385144	/nfs/dbraw/zinc/38/51/44/557385144.db2.gz	HRSWXPBHQXZLBK-ZQIUZPCESA-N	-1	0	441.387	2.569	50	5		IFBARM
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2ccccc2OC(F)F)ccc1N1CCC[C@H](O)C1	ZINC000023990894	557390040	/nfs/dbraw/zinc/39/00/40/557390040.db2.gz	USLNVJDLHADMQL-LBPRGKRZSA-N	-1	0	443.428	2.958	50	5		IFBARM
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1[N+](=O)[O-]	ZINC000002951827	562931135	/nfs/dbraw/zinc/93/11/35/562931135.db2.gz	SVPYKSPVCHMOAA-UHFFFAOYSA-N	-1	0	443.441	2.755	50	5		IFBARM
O=[N+]([O-])c1cccc([C@H]2NC(=S)N[C@@](O)(C(F)(F)F)C2=C([O-])c2cccs2)c1	ZINC000001805998	568908570	/nfs/dbraw/zinc/90/85/70/568908570.db2.gz	WXAQPJPABGAKLU-ZOWXZIJZSA-N	-1	0	431.417	2.925	50	5		IFBARM
COC(=O)C1CCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc([N+](=O)[O-])cc2)CC1	ZINC000037355755	569170973	/nfs/dbraw/zinc/17/09/73/569170973.db2.gz	HUNZLQQOLDTSCI-HNNXBMFYSA-N	-1	0	431.474	2.687	50	5		IFBARM
COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N[C@@H](C(=O)[O-])C(C)C)cc1	ZINC000027533976	569267206	/nfs/dbraw/zinc/26/72/06/569267206.db2.gz	MGIXSPIVTFHECV-XLXASQRYSA-N	-1	0	441.440	2.600	50	5		IFBARM
O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCCCC2)cc1	ZINC000002848520	569423382	/nfs/dbraw/zinc/42/33/82/569423382.db2.gz	IWCSVTVSIAWDRI-UHFFFAOYSA-N	-1	0	439.515	2.960	50	5		IFBARM
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc([N+](=O)[O-])ccc2C)cc1	ZINC000008861454	569479959	/nfs/dbraw/zinc/47/99/59/569479959.db2.gz	CBHNDXQCOYFXKU-UHFFFAOYSA-N	-1	0	427.504	2.735	50	5		IFBARM
COc1ccc(NC(=O)[C@H]2CC2[N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Cl)cc1	ZINC000040143700	569491932	/nfs/dbraw/zinc/49/19/32/569491932.db2.gz	MXSYWDIZOJGYQA-UONOGXRCSA-N	-1	0	425.850	2.753	50	5		IFBARM
O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccc(S(=O)(=O)[N-]c2nccs2)cc1	ZINC000001738946	569584139	/nfs/dbraw/zinc/58/41/39/569584139.db2.gz	VELBFODVLDAYFY-UHFFFAOYSA-N	-1	0	430.423	2.653	50	5		IFBARM