smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCCc1nc(SC(=Cc2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000408630813	559222979	/nfs/dbraw/zinc/22/29/79/559222979.db2.gz	CVMJBPBEVPUKNG-DHDCSXOGSA-N	-1	0	418.406	4.282	40	5		HIBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1[O-]	ZINC000409217207	559245501	/nfs/dbraw/zinc/24/55/01/559245501.db2.gz	OAQYZDHHEZAVGX-MKMNVTDBSA-N	-1	0	406.803	4.203	40	5		HIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000020145088	568590132	/nfs/dbraw/zinc/59/01/32/568590132.db2.gz	GNGVEPPJWYPFSF-HWKANZROSA-N	-1	0	411.197	4.260	40	5		HIBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccccc1[N+](=O)[O-]	ZINC000032116636	568945400	/nfs/dbraw/zinc/94/54/00/568945400.db2.gz	WCXKEZZFDNCGIA-UHFFFAOYSA-N	-1	0	416.025	4.078	40	5		HIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1cccc(OCCc2ccccc2)c1	ZINC000223652875	569030845	/nfs/dbraw/zinc/03/08/45/569030845.db2.gz	HZXGWQNZLKSOBP-UHFFFAOYSA-N	-1	0	412.467	4.326	40	5		HIBBRM
CCCc1nc(SC(=Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)[O-])n[nH]1	ZINC000213374463	569271474	/nfs/dbraw/zinc/27/14/74/569271474.db2.gz	KBFKGHKJOZIJHD-GDNBJRDFSA-N	-1	0	400.416	4.143	40	5		HIBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2ccc(Cl)cc2)o1	ZINC000017091242	569274399	/nfs/dbraw/zinc/27/43/99/569274399.db2.gz	NKHYIILRUSRTMX-UHFFFAOYSA-N	-1	0	417.830	4.341	40	5		HIBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC1	ZINC000020142834	521043560	/nfs/dbraw/zinc/04/35/60/521043560.db2.gz	HCADMSBFLBBRQO-UHFFFAOYSA-N	-1	0	417.849	4.435	40	5		HIBBRM
COc1cc(CNc2cccc(C(=O)[O-])c2)ccc1OCc1ccc([N+](=O)[O-])cc1	ZINC000408605359	559221104	/nfs/dbraw/zinc/22/11/04/559221104.db2.gz	GSQYMJDUGMXUOF-UHFFFAOYSA-N	-1	0	408.410	4.493	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000408633291	559222549	/nfs/dbraw/zinc/22/25/49/559222549.db2.gz	XPLJYXUSILRKBY-ZSOIEALJSA-N	-1	0	420.834	4.407	40	5		HIBBRM
CCn1c(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)[O-])nnc1-c1ccc(Cl)cc1	ZINC000408634408	559222577	/nfs/dbraw/zinc/22/25/77/559222577.db2.gz	QWAWJNRMKTUQSE-LCYFTJDESA-N	-1	0	420.834	4.337	40	5		HIBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106698351	560893115	/nfs/dbraw/zinc/89/31/15/560893115.db2.gz	FKSCYUKVGHJLLS-SXGWCWSVSA-N	-1	0	418.402	4.075	40	5		HIBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000020145316	568590272	/nfs/dbraw/zinc/59/02/72/568590272.db2.gz	YJLAIVXXDUPWHS-DHZHZOJOSA-N	-1	0	408.366	4.214	40	5		HIBBRM
COc1ccc(-c2ccc(C(=O)n3cc(C(=O)[O-])c4ccccc43)o2)c([N+](=O)[O-])c1	ZINC000226767821	568823484	/nfs/dbraw/zinc/82/34/84/568823484.db2.gz	OTDHEGRUKLFJFG-UHFFFAOYSA-N	-1	0	406.350	4.205	40	5		HIBBRM
Cc1nnc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[O-])o1	ZINC000211528209	568922738	/nfs/dbraw/zinc/92/27/38/568922738.db2.gz	BCGLEWFJYNQTHC-AUWJEWJLSA-N	-1	0	407.791	4.417	40	5		HIBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cc1[N+](=O)[O-]	ZINC000408628525	559222218	/nfs/dbraw/zinc/22/22/18/559222218.db2.gz	UKWNDFXAOOBFDO-UHFFFAOYSA-N	-1	0	400.243	4.042	40	5		HIBBRM
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Oc2ccccc2)cc1	ZINC000216450872	568824968	/nfs/dbraw/zinc/82/49/68/568824968.db2.gz	NONXOILHDJHZDO-UHFFFAOYSA-N	-1	0	400.412	4.197	40	5		HIBBRM
CCCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[O-])n[nH]1	ZINC000213375377	569271595	/nfs/dbraw/zinc/27/15/95/569271595.db2.gz	LZNBYCLJVDQZTI-YBEGLDIGSA-N	-1	0	414.443	4.452	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C(=O)[O-])o1	ZINC000408633192	559222554	/nfs/dbraw/zinc/22/25/54/559222554.db2.gz	WZMKSUDOSKGCIS-DHDCSXOGSA-N	-1	0	417.399	4.027	40	5		HIBBRM
O=C([O-])[C@H]1CS[C@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)N1	ZINC000408994490	559235944	/nfs/dbraw/zinc/23/59/44/559235944.db2.gz	ZLGRWGYIZLQYDC-IAQYHMDHSA-N	-1	0	419.509	4.144	40	5		HIBBRM
CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])S2)cc1	ZINC000408771593	560638846	/nfs/dbraw/zinc/63/88/46/560638846.db2.gz	ICAWODYDYDNWKM-CQYSBYMNSA-N	-1	0	405.863	4.116	40	5		HIBBRM
Cc1ccc2[nH]c(-c3ccc([N-]S(=O)(=O)c4ccc([N+](=O)[O-])cc4)cc3)nc2c1	ZINC000021141875	568670666	/nfs/dbraw/zinc/67/06/66/568670666.db2.gz	SIIRUFJPQQOFDD-UHFFFAOYSA-N	-1	0	408.439	4.247	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C(=O)[O-])o1	ZINC000408632504	559222477	/nfs/dbraw/zinc/22/24/77/559222477.db2.gz	QOMPKLDZHJGXHL-DHDCSXOGSA-N	-1	0	417.399	4.027	40	5		HIBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)NCc2ccc(C(=O)[O-])cc2)o1	ZINC000020151039	568590396	/nfs/dbraw/zinc/59/03/96/568590396.db2.gz	LPLVSWJGSJMHEW-DHZHZOJOSA-N	-1	0	406.394	4.191	40	5		HIBBRM
O=C1S/C(=C\c2cc(Br)c([O-])c([N+](=O)[O-])c2)C(=O)N1c1ccccc1	ZINC000033855492	568698278	/nfs/dbraw/zinc/69/82/78/568698278.db2.gz	FJUPIVQXNZZWPV-JYRVWZFOSA-N	-1	0	421.228	4.304	40	5		HIBBRM
CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc([N+](=O)[O-])c1[O-]	ZINC000222653580	568766807	/nfs/dbraw/zinc/76/68/07/568766807.db2.gz	CBXJCJGUVSUXHP-FSPWUOQZSA-N	-1	0	414.487	4.074	40	5		HIBBRM
Cc1nnc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C(=O)[O-])o1	ZINC000211530641	568922731	/nfs/dbraw/zinc/92/27/31/568922731.db2.gz	ZLTAEQUZFLNWIH-YVLHZVERSA-N	-1	0	413.411	4.083	40	5		HIBBRM
Cc1cc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)ccc1[N+](=O)[O-]	ZINC000006233261	569033745	/nfs/dbraw/zinc/03/37/45/569033745.db2.gz	CVNNXUFPUPKOGT-UHFFFAOYSA-N	-1	0	400.243	4.042	40	5		HIBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000032118628	527459261	/nfs/dbraw/zinc/45/92/61/527459261.db2.gz	NDJNNVNYXAXBIN-UHFFFAOYSA-N	-1	0	420.661	4.387	40	5		HIBBRM
COc1ccc(Nc2nc(Nc3cccc(/C=C/C(=O)[O-])c3)nc(C)c2[N+](=O)[O-])cc1	ZINC000016249518	558780935	/nfs/dbraw/zinc/78/09/35/558780935.db2.gz	WQULTGHEKHWLAJ-IZZDOVSWSA-N	-1	0	421.413	4.287	40	5		HIBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N1c1ccc(Cl)cc1	ZINC000409189000	560688920	/nfs/dbraw/zinc/68/89/20/560688920.db2.gz	MKWOOIHGWSKQJB-AWNIVKPZSA-N	-1	0	421.774	4.103	40	5		HIBBRM
CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc([N+](=O)[O-])c1[O-]	ZINC000260755888	568737520	/nfs/dbraw/zinc/73/75/20/568737520.db2.gz	CBXJCJGUVSUXHP-MORSLUCNSA-N	-1	0	414.487	4.074	40	5		HIBBRM
O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000017089087	569274114	/nfs/dbraw/zinc/27/41/14/569274114.db2.gz	HLJGSCQYUBPSBK-QHHAFSJGSA-N	-1	0	412.254	4.134	40	5		HIBBRM
Cc1c(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)cccc1[N+](=O)[O-]	ZINC000010009736	569394865	/nfs/dbraw/zinc/39/48/65/569394865.db2.gz	XVLGGWGXKCJRNU-UHFFFAOYSA-N	-1	0	417.468	4.018	40	5		HIBBRM
CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071980542	559163551	/nfs/dbraw/zinc/16/35/51/559163551.db2.gz	HWPWGFZLJFMWRM-DBCMNUGHSA-N	-1	0	424.881	4.106	40	5		HIBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc2c(Cl)cccc12	ZINC000408626567	559222035	/nfs/dbraw/zinc/22/20/35/559222035.db2.gz	IDQKQGUTXQHULI-UHFFFAOYSA-N	-1	0	401.831	4.234	40	5		HIBBRM
CCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2cccc(C(=O)[O-])c2)C1=O	ZINC000408993302	559235968	/nfs/dbraw/zinc/23/59/68/559235968.db2.gz	DFJMSTOIUHKJSZ-UHFFFAOYSA-N	-1	0	404.378	4.119	40	5		HIBBRM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1ccc([N+](=O)[O-])cc1)N2	ZINC000409101874	559240645	/nfs/dbraw/zinc/24/06/45/559240645.db2.gz	BUTJAZDVDDMQHF-DFHBCGBQSA-N	-1	0	413.396	4.120	40	5		HIBBRM
CCCc1nc(SC(=Cc2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000213375028	569271570	/nfs/dbraw/zinc/27/15/70/569271570.db2.gz	KYPCXSGZHUESMW-YBEGLDIGSA-N	-1	0	414.443	4.452	40	5		HIBBRM
CCCc1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])n[nH]1	ZINC000213382031	569271911	/nfs/dbraw/zinc/27/19/11/569271911.db2.gz	ILJHECYJBRNVKI-YBEGLDIGSA-N	-1	0	414.443	4.452	40	5		HIBBRM
O=C([O-])c1ccc([N+](=O)[O-])c(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1	ZINC000013187567	569410303	/nfs/dbraw/zinc/41/03/03/569410303.db2.gz	SNLIGKLCYQMDMP-UHFFFAOYSA-N	-1	0	408.366	4.103	40	5		HIBBRM
Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc(C(=O)[O-])c1O	ZINC000020145334	525102276	/nfs/dbraw/zinc/10/22/76/525102276.db2.gz	GVBNCMPZGRZFPA-VQHVLOKHSA-N	-1	0	408.366	4.219	40	5		HIBBRM
O=C1S/C(=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])C(=O)N1c1ccccc1	ZINC000016488348	558794425	/nfs/dbraw/zinc/79/44/25/558794425.db2.gz	NLTRJGHSDZJPPH-NTUHNPAUSA-N	-1	0	421.228	4.304	40	5		HIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	ZINC000020140436	568590148	/nfs/dbraw/zinc/59/01/48/568590148.db2.gz	LOINCLCSLZTXDF-UHFFFAOYSA-N	-1	0	416.773	4.467	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])n[nH]1	ZINC000213400910	569271954	/nfs/dbraw/zinc/27/19/54/569271954.db2.gz	PALRSUZEBUFPSD-DHDCSXOGSA-N	-1	0	400.416	4.062	40	5		HIBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)CC1	ZINC000020142820	521043168	/nfs/dbraw/zinc/04/31/68/521043168.db2.gz	RWUGOLZJUQDGQB-UHFFFAOYSA-N	-1	0	417.849	4.435	40	5		HIBBRM
O=C([O-])c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1	ZINC000020142768	526370032	/nfs/dbraw/zinc/37/00/32/526370032.db2.gz	KFVWRRJPCBKIRO-UHFFFAOYSA-N	-1	0	403.822	4.189	40	5		HIBBRM
COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc([N+](=O)[O-])o2)C(=O)[O-])o1	ZINC000408634915	559222560	/nfs/dbraw/zinc/22/25/60/559222560.db2.gz	XXEQNQUTVAJHAD-GHXNOFRVSA-N	-1	0	423.790	4.118	40	5		HIBBRM
CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000409130887	560681865	/nfs/dbraw/zinc/68/18/65/560681865.db2.gz	OATFTZHGOXGLCO-MHWRWJLKSA-N	-1	0	406.460	4.316	40	5		HIBBRM
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(Br)c(Cl)c1	ZINC000014398910	560841915	/nfs/dbraw/zinc/84/19/15/560841915.db2.gz	ZNZSGCCMNZEERA-UHFFFAOYSA-N	-1	0	405.657	4.120	40	5		HIBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106701855	560893258	/nfs/dbraw/zinc/89/32/58/560893258.db2.gz	FFFPMMVBOJGCDN-YVLHZVERSA-N	-1	0	414.439	4.244	40	5		HIBBRM
O=C([O-])c1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1Cl	ZINC000020142576	568590162	/nfs/dbraw/zinc/59/01/62/568590162.db2.gz	ZMFYTHFRJOKJKU-UHFFFAOYSA-N	-1	0	403.822	4.189	40	5		HIBBRM
CCCc1nc(SC(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)[O-])n[nH]1	ZINC000213375290	569271482	/nfs/dbraw/zinc/27/14/82/569271482.db2.gz	ZLLMHLJNDRZRJD-YBEGLDIGSA-N	-1	0	414.443	4.452	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)[O-])n[nH]1	ZINC000213391730	569271986	/nfs/dbraw/zinc/27/19/86/569271986.db2.gz	BPDXZLMTLJTWSX-DHDCSXOGSA-N	-1	0	400.416	4.062	40	5		HIBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000032118842	527459851	/nfs/dbraw/zinc/45/98/51/527459851.db2.gz	LMHALUXQTLTYMJ-UHFFFAOYSA-N	-1	0	420.661	4.387	40	5		HIBBRM
Cc1cc(NC(=O)c2sc3c(cccc3[N+](=O)[O-])c2Cl)cc(C(=O)[O-])c1O	ZINC000020139620	568590240	/nfs/dbraw/zinc/59/02/40/568590240.db2.gz	HYXVWISJPMVTRZ-UHFFFAOYSA-N	-1	0	406.803	4.427	40	5		HIBBRM
CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc([N+](=O)[O-])c1[O-]	ZINC000222653710	568766858	/nfs/dbraw/zinc/76/68/58/568766858.db2.gz	CBXJCJGUVSUXHP-JEBQAFNWSA-N	-1	0	414.487	4.074	40	5		HIBBRM
Cc1nnc(S/C(=C\c2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])o1	ZINC000211534671	568934106	/nfs/dbraw/zinc/93/41/06/568934106.db2.gz	ZGKZSAZDHMFXDX-PXNMLYILSA-N	-1	0	401.400	4.381	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)[O-])n[nH]1	ZINC000213392076	569271938	/nfs/dbraw/zinc/27/19/38/569271938.db2.gz	MBPSEGGVBGMXFI-DHDCSXOGSA-N	-1	0	400.416	4.062	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3cc(C)c(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000213397037	569271976	/nfs/dbraw/zinc/27/19/76/569271976.db2.gz	WCEMHRGQDDFYRG-SXGWCWSVSA-N	-1	0	414.443	4.370	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[O-])o1	ZINC000213413521	569272507	/nfs/dbraw/zinc/27/25/07/569272507.db2.gz	KRLOHWKQGYURAL-DHDCSXOGSA-N	-1	0	401.400	4.326	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C(=O)[O-])o1	ZINC000408631478	559222319	/nfs/dbraw/zinc/22/23/19/559222319.db2.gz	JMUAOQBWHHXCGF-DHDCSXOGSA-N	-1	0	417.399	4.027	40	5		HIBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000408670312	559223736	/nfs/dbraw/zinc/22/37/36/559223736.db2.gz	IMPJFBBXVWJQNJ-UHFFFAOYSA-N	-1	0	419.393	4.106	40	5		HIBBRM
COc1cc(/C=C2\SC(Nc3cc(Cl)ccc3C)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408807453	560642809	/nfs/dbraw/zinc/64/28/09/560642809.db2.gz	CMSJKKQJLQVDJB-UHFFFAOYSA-N	-1	0	420.854	4.034	40	5		HIBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(-c2cccc(Cl)c2)o1	ZINC000017091241	569273454	/nfs/dbraw/zinc/27/34/54/569273454.db2.gz	XRKZXZGHGWMWNU-UHFFFAOYSA-N	-1	0	417.830	4.341	40	5		HIBBRM
COc1c(Cl)cc(C(=O)[O-])cc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	ZINC000020140500	521835441	/nfs/dbraw/zinc/83/54/41/521835441.db2.gz	XQYDJPSONZGVIY-UHFFFAOYSA-N	-1	0	416.773	4.467	40	5		HIBBRM
COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1[O-]	ZINC000106689145	560892947	/nfs/dbraw/zinc/89/29/47/560892947.db2.gz	FNOXWWANFMOHEK-CHHVJCJISA-N	-1	0	420.830	4.199	40	5		HIBBRM
O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl	ZINC000020142772	568590335	/nfs/dbraw/zinc/59/03/35/568590335.db2.gz	VVQNULVTKZBSLQ-UHFFFAOYSA-N	-1	0	403.822	4.189	40	5		HIBBRM
O=[N+]([O-])c1ccc(NCc2cc(Br)c([O-])c(Br)c2)cc1	ZINC000218891843	568935140	/nfs/dbraw/zinc/93/51/40/568935140.db2.gz	OHJOUFQPXDIQHC-UHFFFAOYSA-N	-1	0	402.042	4.438	40	5		HIBBRM
O=C([O-])COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]	ZINC000021982991	527613910	/nfs/dbraw/zinc/61/39/10/527613910.db2.gz	DHAHEVIQIYRFRG-UHFFFAOYSA-N	-1	0	419.695	4.301	40	5	in-vitro	HIBBRM
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1	ZINC000013680194	558854395	/nfs/dbraw/zinc/85/43/95/558854395.db2.gz	RJABXURHJSGADI-UHFFFAOYSA-N	-1	0	417.468	4.018	40	5		HIBBRM
CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc([N+](=O)[O-])c1[O-]	ZINC000222653782	568766883	/nfs/dbraw/zinc/76/68/83/568766883.db2.gz	CBXJCJGUVSUXHP-BVGQSLNGSA-N	-1	0	414.487	4.074	40	5		HIBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1[O-]	ZINC000106704031	560893240	/nfs/dbraw/zinc/89/32/40/560893240.db2.gz	NPHJZXWKGFMZKK-MFOYZWKCSA-N	-1	0	414.439	4.244	40	5		HIBBRM
COc1ccc(-c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)o2)c([N+](=O)[O-])c1	ZINC000020140632	568590276	/nfs/dbraw/zinc/59/02/76/568590276.db2.gz	SGOCDRXIYYGMOE-UHFFFAOYSA-N	-1	0	416.773	4.467	40	5		HIBBRM
Cc1nnc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])o1	ZINC000211544516	568938378	/nfs/dbraw/zinc/93/83/78/568938378.db2.gz	GZDFKZHHJXRGKW-AUWJEWJLSA-N	-1	0	407.791	4.417	40	5		HIBBRM
Cc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cc1[N+](=O)[O-]	ZINC000006234227	569033778	/nfs/dbraw/zinc/03/37/78/569033778.db2.gz	CTZUZUGVLGEFHD-UHFFFAOYSA-N	-1	0	400.243	4.042	40	5		HIBBRM
CCCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C(=O)[O-])n[nH]1	ZINC000213375627	569271623	/nfs/dbraw/zinc/27/16/23/569271623.db2.gz	GCWAWZRAQBLGFD-YBEGLDIGSA-N	-1	0	414.443	4.452	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)o2)C(=O)[O-])o1	ZINC000214861239	569283933	/nfs/dbraw/zinc/28/39/33/569283933.db2.gz	OUWMGDSKOGXHMW-ZSOIEALJSA-N	-1	0	405.363	4.157	40	5		HIBBRM
Cc1nnc(SC(=Cc2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)C(=O)[O-])[nH]1	ZINC000409189590	560690974	/nfs/dbraw/zinc/69/09/74/560690974.db2.gz	RAXBHBMJQZVEBP-MHWRWJLKSA-N	-1	0	414.468	4.390	40	5		HIBBRM
O=C([O-])c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1Cl	ZINC000020142590	568590058	/nfs/dbraw/zinc/59/00/58/568590058.db2.gz	XDTSPJWXGPGAEA-UHFFFAOYSA-N	-1	0	403.822	4.189	40	5		HIBBRM
COc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)o2)c([N+](=O)[O-])c1	ZINC000020140638	568590118	/nfs/dbraw/zinc/59/01/18/568590118.db2.gz	UYVNJXCHYOUVFE-UHFFFAOYSA-N	-1	0	416.773	4.467	40	5		HIBBRM
CC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1)cc2Cl	ZINC000016779775	569262817	/nfs/dbraw/zinc/26/28/17/569262817.db2.gz	BMZRPVDAWVTJJV-UHFFFAOYSA-N	-1	0	408.819	4.306	40	5		HIBBRM
CCSc1nc2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C(=O)[O-])cc2s1	ZINC000408748639	559226408	/nfs/dbraw/zinc/22/64/08/559226408.db2.gz	BLRBZKIKCDKSMU-UHFFFAOYSA-N	-1	0	403.441	4.267	40	5		HIBBRM
O=C([O-])[C@@H]1CS[C@@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)N1	ZINC000408994493	560663146	/nfs/dbraw/zinc/66/31/46/560663146.db2.gz	ZLGRWGYIZLQYDC-NHYWBVRUSA-N	-1	0	419.509	4.144	40	5		HIBBRM
CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071980491	559163481	/nfs/dbraw/zinc/16/34/81/559163481.db2.gz	OXPGXUNBOPJOAF-WGAFOPHPSA-N	-1	0	424.881	4.106	40	5		HIBBRM
CC(C)(C)C1CCC2(CC1)OC[C@H](C(=O)[O-])N2C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000071980543	559163537	/nfs/dbraw/zinc/16/35/37/559163537.db2.gz	HWPWGFZLJFMWRM-WCKOCXJASA-N	-1	0	424.881	4.106	40	5		HIBBRM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000408561093	559218431	/nfs/dbraw/zinc/21/84/31/559218431.db2.gz	GNRBHMQHXIRWSH-UHFFFAOYSA-N	-1	0	413.817	4.118	40	5		HIBBRM
Cc1nc(Nc2cccc(/C=C/C(=O)[O-])c2)nc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000005005993	559226575	/nfs/dbraw/zinc/22/65/75/559226575.db2.gz	LBWZHRWFOVRSTP-VAWYXSNFSA-N	-1	0	405.414	4.303	40	5		HIBBRM
Cc1nnc(SC(=Cc2cc([N+](=O)[O-])ccc2Sc2ccccc2)C(=O)[O-])[nH]1	ZINC000409192479	560689644	/nfs/dbraw/zinc/68/96/44/560689644.db2.gz	XSXBETFAWZWZFV-MHWRWJLKSA-N	-1	0	414.468	4.390	40	5		HIBBRM
O=C([O-])c1ccc(-c2ccc(Cl)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)o1	ZINC000226353952	568806851	/nfs/dbraw/zinc/80/68/51/568806851.db2.gz	QLWRCNQZCKHFOE-UHFFFAOYSA-N	-1	0	422.802	4.007	40	5		HIBBRM
O=C(NC(=S)Nc1ccccc1[S-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000017090719	569274639	/nfs/dbraw/zinc/27/46/39/569274639.db2.gz	QCLFMZHHXQYNKC-UHFFFAOYSA-N	-1	0	416.528	4.001	40	5		HIBBRM
Cc1ccc2[nH]c(-c3ccc([N-]S(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)nc2c1	ZINC000008833564	569390518	/nfs/dbraw/zinc/39/05/18/569390518.db2.gz	YAOIDJKLBYWSEY-UHFFFAOYSA-N	-1	0	408.439	4.247	40	5		HIBBRM
O=c1nc2n(-c3ccc(C4CCCCC4)cc3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[n-]1	ZINC000059497780	851006983	/nfs/dbraw/zinc/00/69/83/851006983.db2.gz	QIYGODFYUWFSSR-UHFFFAOYSA-N	-1	0	416.437	4.135	40	5		HIBBRM
Cc1c(C=Cc2[nH]c(=O)[n-]c(=O)c2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1F	ZINC000409315949	560709370	/nfs/dbraw/zinc/70/93/70/560709370.db2.gz	XJSLMGZKJRDAFO-ZHACJKMWSA-N	-1	0	420.400	4.417	40	5		HIBBRM
CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2cc(C(=O)[O-])ccc2Cl)CC1	ZINC000020142817	568590085	/nfs/dbraw/zinc/59/00/85/568590085.db2.gz	FQBAYYBGYHLHEV-UHFFFAOYSA-N	-1	0	417.849	4.435	40	5		HIBBRM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@@](O)(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2	ZINC000409100026	559240669	/nfs/dbraw/zinc/24/06/69/559240669.db2.gz	PHFQGCDIMNSIHL-UVBSCNOISA-N	-1	0	413.396	4.120	40	5		HIBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106706890	560893231	/nfs/dbraw/zinc/89/32/31/560893231.db2.gz	GYRZPGDZQKGTQP-YVLHZVERSA-N	-1	0	414.439	4.244	40	5		HIBBRM
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(CC(=O)[O-])cc3)o2)c([N+](=O)[O-])c1	ZINC000020151006	568590431	/nfs/dbraw/zinc/59/04/31/568590431.db2.gz	VKRXZSAOWMMSCV-DHZHZOJOSA-N	-1	0	406.394	4.442	40	5		HIBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(CC(=O)[O-])cc2)o1	ZINC000020151041	568590672	/nfs/dbraw/zinc/59/06/72/568590672.db2.gz	ZCOYMRNSOBRZMV-DHZHZOJOSA-N	-1	0	406.394	4.442	40	5		HIBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(OCc2ccccc2)c1	ZINC000017093529	569273774	/nfs/dbraw/zinc/27/37/74/569273774.db2.gz	YLBDRJAQGHWSRP-UHFFFAOYSA-N	-1	0	423.450	4.006	40	5		HIBBRM
Cc1ccc(C(=O)[O-])cc1NC(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000408673326	559223927	/nfs/dbraw/zinc/22/39/27/559223927.db2.gz	RCBDVXOWEFZPTH-UHFFFAOYSA-N	-1	0	419.393	4.106	40	5		HIBBRM
O=C([O-])c1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(Cl)cc1Cl	ZINC000020142720	568590275	/nfs/dbraw/zinc/59/02/75/568590275.db2.gz	GKHSZVJFLPOWJZ-UHFFFAOYSA-N	-1	0	424.240	4.452	40	5		HIBBRM
CC(C)(C)C1CCC2(CC1)OC[C@@H](C(=O)[O-])N2C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000071980490	559163558	/nfs/dbraw/zinc/16/35/58/559163558.db2.gz	OXPGXUNBOPJOAF-FOCKTWCOSA-N	-1	0	424.881	4.106	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C(=O)[O-])n[nH]1	ZINC000408632784	559222450	/nfs/dbraw/zinc/22/24/50/559222450.db2.gz	SLJUEKMKVKDYID-ZSOIEALJSA-N	-1	0	420.834	4.407	40	5		HIBBRM
O=C([O-])[C@H]1CS[C@@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)N1	ZINC000408994487	560663163	/nfs/dbraw/zinc/66/31/63/560663163.db2.gz	ZLGRWGYIZLQYDC-ABAIWWIYSA-N	-1	0	419.509	4.144	40	5		HIBBRM
O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-]	ZINC000021595994	568467758	/nfs/dbraw/zinc/46/77/58/568467758.db2.gz	RIPJCGXCRTYTKK-DHZHZOJOSA-N	-1	0	409.423	4.087	40	5		HIBBRM
COc1cc(-c2nc(=O)c3c4c(sc3[nH]2)CCCCCC4)cc([N+](=O)[O-])c1[O-]	ZINC000006420273	569332124	/nfs/dbraw/zinc/33/21/24/569332124.db2.gz	KVIDNPYENLGBMV-UHFFFAOYSA-N	-1	0	401.444	4.345	40	5		HIBBRM
O=C([O-])c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c([N+](=O)[O-])c1	ZINC000013053905	569408127	/nfs/dbraw/zinc/40/81/27/569408127.db2.gz	KHGANWIEDRWECI-UHFFFAOYSA-N	-1	0	408.366	4.103	40	5		HIBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(C(=O)[O-])c(O)c2)o1	ZINC000020151043	525559459	/nfs/dbraw/zinc/55/94/59/525559459.db2.gz	QNQGRZQCNYUBLC-WEVVVXLNSA-N	-1	0	408.366	4.219	40	5		HIBBRM
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(=O)[O-])c(O)c3)o2)c([N+](=O)[O-])c1	ZINC000020151007	525742674	/nfs/dbraw/zinc/74/26/74/525742674.db2.gz	WOZRYNQUSXEVDL-WEVVVXLNSA-N	-1	0	408.366	4.219	40	5		HIBBRM
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1	ZINC000032118896	527628057	/nfs/dbraw/zinc/62/80/57/527628057.db2.gz	BOGTYCUGFDVCBE-SNAWJCMRSA-N	-1	0	412.254	4.134	40	5		HIBBRM
O=C([N-]N1C(=O)S/C(=C\c2cccc3ccccc23)C1=O)c1ccc([N+](=O)[O-])cc1	ZINC000408759430	559226229	/nfs/dbraw/zinc/22/62/29/559226229.db2.gz	DVXWYTOZZCZBJJ-PDGQHHTCSA-N	-1	0	419.418	4.129	40	5		HIBBRM
CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3[O-])S2)cc1	ZINC000408771600	560638866	/nfs/dbraw/zinc/63/88/66/560638866.db2.gz	ICAWODYDYDNWKM-ODZYNRFZSA-N	-1	0	405.863	4.116	40	5		HIBBRM
O=C([O-])[C@@H]1CS[C@H](c2ccc(Sc3nc4ccccc4s3)c([N+](=O)[O-])c2)N1	ZINC000408994496	560663128	/nfs/dbraw/zinc/66/31/28/560663128.db2.gz	ZLGRWGYIZLQYDC-XHDPSFHLSA-N	-1	0	419.509	4.144	40	5		HIBBRM
CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc([N+](=O)[O-])c1[O-]	ZINC000106690060	560892973	/nfs/dbraw/zinc/89/29/73/560892973.db2.gz	CWUNXVFCFQIRMX-SXGWCWSVSA-N	-1	0	418.402	4.075	40	5		HIBBRM
Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(O)c(C(=O)[O-])c2)o1	ZINC000020151045	568590715	/nfs/dbraw/zinc/59/07/15/568590715.db2.gz	IDVGESSJAKCKHM-WEVVVXLNSA-N	-1	0	408.366	4.219	40	5		HIBBRM
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccccc2)cc1	ZINC000000874640	568726240	/nfs/dbraw/zinc/72/62/40/568726240.db2.gz	BBMVOYPOJCJDBG-UHFFFAOYSA-N	-1	0	421.438	4.082	40	5		HIBBRM
Cc1c(C(=O)NC(=S)Nc2cc(Cl)c([O-])c(Cl)c2)cccc1[N+](=O)[O-]	ZINC000006232904	569033734	/nfs/dbraw/zinc/03/37/34/569033734.db2.gz	XXJCFUYZVSCSAJ-UHFFFAOYSA-N	-1	0	400.243	4.042	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C(=O)[O-])n[nH]1	ZINC000408632243	559222461	/nfs/dbraw/zinc/22/24/61/559222461.db2.gz	PFNXDYJRKOWVCD-ZSOIEALJSA-N	-1	0	420.834	4.407	40	5		HIBBRM
COc1cc(/C=C2\SC(Nc3ccc(Cl)cc3C)NC2=O)cc([N+](=O)[O-])c1[O-]	ZINC000408810622	559227704	/nfs/dbraw/zinc/22/77/04/559227704.db2.gz	KGRYNJCQAPIBKC-UHFFFAOYSA-N	-1	0	420.854	4.034	40	5		HIBBRM
CC1CCN(c2ccc(C(=O)Nc3cc(C(=O)[O-])ccc3Cl)cc2[N+](=O)[O-])CC1	ZINC000020142622	568590331	/nfs/dbraw/zinc/59/03/31/568590331.db2.gz	UKXDLPCTCSUMGI-UHFFFAOYSA-N	-1	0	417.849	4.435	40	5		HIBBRM
COc1ccc([N+](=O)[O-])cc1-c1ccc(C(=O)n2cc(C(=O)[O-])c3ccccc32)o1	ZINC000226769082	568823491	/nfs/dbraw/zinc/82/34/91/568823491.db2.gz	LKZQTRRMDFOROI-UHFFFAOYSA-N	-1	0	406.350	4.205	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C(=O)[O-])o1	ZINC000213413433	569272512	/nfs/dbraw/zinc/27/25/12/569272512.db2.gz	JKMLKOFEWTYRPQ-DHDCSXOGSA-N	-1	0	401.400	4.326	40	5		HIBBRM
CC(C)(C)[C@@H]1CCC2=C(C1)[C@](O)(C(F)(F)F)N(C(=O)c1cccc([N+](=O)[O-])c1)N2	ZINC000409100021	559240699	/nfs/dbraw/zinc/24/06/99/559240699.db2.gz	PHFQGCDIMNSIHL-DFHBCGBQSA-N	-1	0	413.396	4.120	40	5		HIBBRM
O=C([O-])c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl	ZINC000020142785	568590308	/nfs/dbraw/zinc/59/03/08/568590308.db2.gz	TUQBMJBEBBFOTO-UHFFFAOYSA-N	-1	0	403.822	4.189	40	5		HIBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1cccc([N+](=O)[O-])c1	ZINC000003076188	568853701	/nfs/dbraw/zinc/85/37/01/568853701.db2.gz	SQODLRRPOAIFEL-UHFFFAOYSA-N	-1	0	416.025	4.078	40	5		HIBBRM
Cc1c2ccccc2oc1C(=O)NC(=S)Nc1c2cccnc2ccc1[N+](=O)[O-]	ZINC000006389881	569045944	/nfs/dbraw/zinc/04/59/44/569045944.db2.gz	SDVMFXHISGVPHQ-UHFFFAOYSA-N	-1	0	406.423	4.324	40	5		HIBBRM
O=c1[n-]c(=O)c([N+](=O)[O-])c(C=Cc2c(OCc3ccccc3)ccc3ccccc32)[nH]1	ZINC000032689380	527441655	/nfs/dbraw/zinc/44/16/55/527441655.db2.gz	WRJXZZWTIBRSQV-QXMHVHEDSA-N	-1	0	415.405	4.286	40	5		HIBBRM
O=C([O-])c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(Cl)cc1Cl	ZINC000020142932	568590333	/nfs/dbraw/zinc/59/03/33/568590333.db2.gz	AHTOTCVOCODMJO-UHFFFAOYSA-N	-1	0	424.240	4.452	40	5		HIBBRM
CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc([N+](=O)[O-])c1[O-]	ZINC000260755884	568737532	/nfs/dbraw/zinc/73/75/32/568737532.db2.gz	CBXJCJGUVSUXHP-DOPJRALCSA-N	-1	0	414.487	4.074	40	5		HIBBRM
CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc([N+](=O)[O-])c1[O-]	ZINC000222653647	568766928	/nfs/dbraw/zinc/76/69/28/568766928.db2.gz	CBXJCJGUVSUXHP-XWIAVFTESA-N	-1	0	414.487	4.074	40	5		HIBBRM
CCCc1nc(SC(=Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)[O-])n[nH]1	ZINC000213375206	569271489	/nfs/dbraw/zinc/27/14/89/569271489.db2.gz	FWPKFUWETSYSPV-GDNBJRDFSA-N	-1	0	400.416	4.143	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C(=O)[O-])n[nH]1	ZINC000408633067	559222620	/nfs/dbraw/zinc/22/26/20/559222620.db2.gz	VPXRZECJOZDBNY-ZSOIEALJSA-N	-1	0	420.834	4.407	40	5		HIBBRM
CCCN1C(=O)c2cccc3c2c(cc([N+](=O)[O-])c3-c2ccc(C(=O)[O-])cc2)C1=O	ZINC000408997078	560662825	/nfs/dbraw/zinc/66/28/25/560662825.db2.gz	QTMPDCUYBJHWIV-UHFFFAOYSA-N	-1	0	404.378	4.119	40	5		HIBBRM
COc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1[O-]	ZINC000409188825	560688142	/nfs/dbraw/zinc/68/81/42/560688142.db2.gz	AWKSOPRNMLPYKP-VGOFMYFVSA-N	-1	0	406.803	4.203	40	5		HIBBRM
COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1C=Cc1[nH]c(=O)[n-]c(=O)c1[N+](=O)[O-]	ZINC000409327440	560709571	/nfs/dbraw/zinc/70/95/71/560709571.db2.gz	UBCOUGKFYKMHSP-RQOWECAXSA-N	-1	0	423.469	4.443	40	5		HIBBRM
Cc1ccc(S(=O)(=O)[N-]C(=O)OCCc2c3ccccc3nc3ccccc32)cc1	ZINC000005011422	557625375	/nfs/dbraw/zinc/62/53/75/557625375.db2.gz	ASKOCMNMOBPFDI-UHFFFAOYSA-N	-1	0	420.490	4.354	40	5		HIBBRM
O=C([O-])c1ccc(Cl)c(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1	ZINC000020142572	568590214	/nfs/dbraw/zinc/59/02/14/568590214.db2.gz	MMDPJPVUYRWFGF-UHFFFAOYSA-N	-1	0	403.822	4.189	40	5		HIBBRM
COc1ccc(C(=O)[O-])cc1NC(=O)c1sc2c(cccc2[N+](=O)[O-])c1Cl	ZINC000020139599	568590218	/nfs/dbraw/zinc/59/02/18/568590218.db2.gz	OASRGGHSQQRGOQ-UHFFFAOYSA-N	-1	0	406.803	4.422	40	5		HIBBRM
Cc1ccc(-c2ccc(/C=C/C(=O)NCc3ccc(C(=O)[O-])cc3)o2)c([N+](=O)[O-])c1	ZINC000020151005	568590439	/nfs/dbraw/zinc/59/04/39/568590439.db2.gz	BFOYZLCZFMLNCR-DHZHZOJOSA-N	-1	0	406.394	4.191	40	5		HIBBRM
COc1ccccc1Nc1nc(Nc2cccc(/C=C\C(=O)[O-])c2)nc(C)c1[N+](=O)[O-]	ZINC000016249519	569030332	/nfs/dbraw/zinc/03/03/32/569030332.db2.gz	QKVGDZAHSWGOKM-KHPPLWFESA-N	-1	0	421.413	4.287	40	5		HIBBRM
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1ccc(OCc2ccccc2)cc1	ZINC000017093528	569273469	/nfs/dbraw/zinc/27/34/69/569273469.db2.gz	NBSCYRVABXPVCB-UHFFFAOYSA-N	-1	0	423.450	4.006	40	5		HIBBRM
O=C([O-])c1ccc(-c2ccc(Cl)c(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)o1	ZINC000226353870	559273626	/nfs/dbraw/zinc/27/36/26/559273626.db2.gz	ZOFOVOBFVNRWMD-UHFFFAOYSA-N	-1	0	422.802	4.007	40	5		HIBBRM
O=C(C=C([O-])c1ccc([N+](=O)[O-])cc1)CCC(=O)Nc1cc(Cl)ccc1Cl	ZINC000104274243	560850112	/nfs/dbraw/zinc/85/01/12/560850112.db2.gz	VNZGQJZQCGXROQ-UHFFFAOYSA-N	-1	0	409.225	4.462	40	5		HIBBRM
COc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)o2)c([N+](=O)[O-])c1	ZINC000020140656	568590062	/nfs/dbraw/zinc/59/00/62/568590062.db2.gz	OEERQTUOROGSFZ-UHFFFAOYSA-N	-1	0	416.773	4.467	40	5		HIBBRM
CCc1nc(SC(=Cc2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C(=O)[O-])n[nH]1	ZINC000213391826	569271934	/nfs/dbraw/zinc/27/19/34/569271934.db2.gz	PBPRZQYQQXEVEC-DHDCSXOGSA-N	-1	0	400.416	4.062	40	5		HIBBRM
Cc1c(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2[O-])cccc1[N+](=O)[O-]	ZINC000408627604	559222090	/nfs/dbraw/zinc/22/20/90/559222090.db2.gz	MGQBBOBGBLVKPL-UHFFFAOYSA-N	-1	0	400.243	4.042	40	5		HIBBRM
O=C([O-])CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000408942080	559234660	/nfs/dbraw/zinc/23/46/60/559234660.db2.gz	FMJHPRKOSGEXFJ-UHFFFAOYSA-N	-1	0	413.817	4.118	40	5		HIBBRM
CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1[O-]	ZINC000409122898	560679910	/nfs/dbraw/zinc/67/99/10/560679910.db2.gz	CGXRKJYKWDYPFR-CXUHLZMHSA-N	-1	0	406.460	4.316	40	5		HIBBRM
O=C1S/C(=C/c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2[O-])C(=O)N1c1cccc(Cl)c1	ZINC000409219912	560697960	/nfs/dbraw/zinc/69/79/60/560697960.db2.gz	WMRHAJPVPWWQRS-WLRTZDKTSA-N	-1	0	421.774	4.103	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3C)o2)C(=O)[O-])o1	ZINC000214861288	569283897	/nfs/dbraw/zinc/28/38/97/569283897.db2.gz	OIHILSJRHMZFBB-DHDCSXOGSA-N	-1	0	401.400	4.326	40	5		HIBBRM
CC1CCN(c2ccc(C(=O)Nc3ccc(C(=O)[O-])c(Cl)c3)cc2[N+](=O)[O-])CC1	ZINC000020142640	521038808	/nfs/dbraw/zinc/03/88/08/521038808.db2.gz	KYWZVJGQWZYKND-UHFFFAOYSA-N	-1	0	417.849	4.435	40	5		HIBBRM
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1cc([N+](=O)[O-])ccc1Cl	ZINC000032119034	527459729	/nfs/dbraw/zinc/45/97/29/527459729.db2.gz	VEPMKRWHBNTXLW-UHFFFAOYSA-N	-1	0	420.661	4.387	40	5		HIBBRM
CCSc1nc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3C(=O)[O-])cc2s1	ZINC000408750878	559226262	/nfs/dbraw/zinc/22/62/62/559226262.db2.gz	SVEUCBIUEGOYRZ-UHFFFAOYSA-N	-1	0	403.441	4.267	40	5		HIBBRM
Cc1ccc(C)c(S(=O)(=O)[N-]c2c3ccccc3c([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000005395376	560578936	/nfs/dbraw/zinc/57/89/36/560578936.db2.gz	FRBKMGZRSJATSW-UHFFFAOYSA-N	-1	0	401.400	4.074	40	5		HIBBRM
CC1CCN(c2ccc(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)cc2[N+](=O)[O-])CC1	ZINC000020142626	568590203	/nfs/dbraw/zinc/59/02/03/568590203.db2.gz	MKPIYDGRCUVOEE-UHFFFAOYSA-N	-1	0	417.849	4.435	40	5		HIBBRM
Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(O)c(C(=O)[O-])c3)o2)c([N+](=O)[O-])c1	ZINC000020151008	568590515	/nfs/dbraw/zinc/59/05/15/568590515.db2.gz	CHNWPPBGPMTPJC-WEVVVXLNSA-N	-1	0	408.366	4.219	40	5		HIBBRM
O=C(Nc1cc(Br)c([O-])c(Br)c1)c1ccc([N+](=O)[O-])cc1	ZINC000003076270	568853684	/nfs/dbraw/zinc/85/36/84/568853684.db2.gz	LVRFUGVGEXNQBN-UHFFFAOYSA-N	-1	0	416.025	4.078	40	5		HIBBRM
Cc1nnc(S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C(=O)[O-])o1	ZINC000211527374	568922744	/nfs/dbraw/zinc/92/27/44/568922744.db2.gz	WQDUIHFJRYVWIP-AUWJEWJLSA-N	-1	0	407.791	4.417	40	5		HIBBRM
CCc1nnc(S/C(=C\c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C(=O)[O-])o1	ZINC000213413154	569272517	/nfs/dbraw/zinc/27/25/17/569272517.db2.gz	DLEZABBFRUAQMU-DHDCSXOGSA-N	-1	0	401.400	4.326	40	5		HIBBRM