smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCCOC(C)C)S(C)(=O)=O	2873937	PCHXLNFWNNZJCQ-UHFFFAOYSA-N	403.457	1.301	5	50	HDBA	
CN(C(=S)SNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@@H]1CCS(=O)(=O)C1	16134107	ISSFBXBDFQUSLD-SECBINFHSA-N	406.467	1.967	5	50	HDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	239310232	IGEOAADQSZCGKZ-JROKTQBJSA-N	410.382	1.374	5	50	HDBA	
Cc1cnc(N2CCC[C@@H](n3ncc(N4CCOCC4)cc3=O)C2)c([N+](=O)[O-])c1	328607562	WKGUMEABOOBRHW-OAHLLOKOSA-N	400.439	1.533	5	50	HDBA	
CNc1c(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)cccc1[N+](=O)[O-]	170596216	VFYDSCMBKXQPSL-UHFFFAOYSA-N	412.450	1.500	5	50	HDBA	
C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	2325889462	RUTRUTUFWGWMJE-INIZCTEOSA-N	400.435	1.304	5	50	HDBA	
CCOC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@H]12	4719442	LUFWWQPZKNTNBC-YWZLYKJASA-N	408.370	1.502	5	50	HDBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N1CCc2ccccc2C1)S(C)(=O)=O	2875677	ILYSSFJFMMTXHY-UHFFFAOYSA-N	419.459	1.954	5	50	HDBA	
Cn1cc([C@@H]2CS(=O)(=O)CCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1	225667003	OUHRIFAUDXBBMX-KRWDZBQOSA-N	417.447	1.955	5	50	HDBA	
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	408516182	VYIPNPKALCSMBO-UHFFFAOYSA-N	418.431	1.695	5	50	HDBA	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1	1148093	ZBMQHJQOCCFMMJ-UHFFFAOYSA-N	400.416	1.502	5	50	HDBA	
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@H]1CCCC[C@H]1C	241869086	SUHLTYURFCLCCA-DYEKYZERSA-N	417.418	1.817	5	50	HDBA	
COc1ccc([C@@H](O)[C@H](NNC(=N)N)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	5399297	PDLMBQBQNCUTNU-GDBMZVCRSA-N	413.394	1.015	5	50	HDBA	
COc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])cc1OC	2365843	SWMHETPEHZQBNU-UHFFFAOYSA-N	409.420	1.232	5	50	HDBA	
NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1	16428510	BNECWSHNSYILKS-UHFFFAOYSA-N	406.420	1.331	5	50	HDBA	
COCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5)c(=O)c4cc3c2=O)n1	40398964	QCWUALIHULLNKF-UHFFFAOYSA-N	400.398	1.954	5	50	HDBA	
CCn1ncc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C(N)=O	2781624	IOFGCGZHXBJUBT-UHFFFAOYSA-N	401.383	1.617	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@H]21	1302879252	QUDKNFSCBPJVRG-JCURWCKSSA-N	404.220	1.974	5	50	HDBA	
CCOC(=O)c1ccc(COC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	2842053	ICHASHVCXVIQBL-UHFFFAOYSA-N	422.415	1.793	5	50	HDBA	
Cc1nn(CCC(=O)N2CCN(c3cc(C4(C)CC4)n[nH]3)CC2)c(C)c1[N+](=O)[O-]	170599066	VINBMZALTOHRMH-UHFFFAOYSA-N	401.471	1.922	5	50	HDBA	
CCOC(=O)C1([S@@](C)=O)CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1	1463731775	GFSLIKCDTJIRAT-RUZDIDTESA-N	424.522	1.430	5	50	HDBA	
C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)C1	2325889463	RUTRUTUFWGWMJE-MRXNPFEDSA-N	400.435	1.304	5	50	HDBA	
CC(=O)c1cccc(N2CN=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3C2)c1	1181344	SFYQWLRLKSRQLD-NVMNQCDNSA-N	408.439	1.904	5	50	HDBA	
Cc1cc(NCCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)n(C)n1	225535416	PQSFEELBOOWQAG-UHFFFAOYSA-N	408.484	1.945	5	50	HDBA	
C[N+]1([O-])CCN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1	6068248	IPTIKKTXLHVRKN-MRXNPFEDSA-N	404.814	1.581	5	50	HDBA	world
NS(=O)(=O)c1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	55345586	XOWCSEIILANJQM-UHFFFAOYSA-N	419.463	1.003	5	50	HDBA	
COc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])c3cccnc23)CC1	55433810	ZLGOAOXKWYTKIY-UHFFFAOYSA-N	400.395	1.736	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	239310406	IJTIAMMDASPHNP-YKSRAPIUSA-N	400.387	1.740	5	50	HDBA	
NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	22185081	ZCHKWTIBHDQIAV-UHFFFAOYSA-N	408.461	1.089	5	50	HDBA	
CN1C(=O)c2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2C1=O	4759777	PDMZYDMEKMJFSK-UHFFFAOYSA-N	410.386	1.910	5	50	HDBA	
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1c[nH]c(=O)[nH]c1=O)C2=O	3613759	MVZIXTOMQNADNV-UHFFFAOYSA-N	406.310	1.003	5	50	HDBA	
O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)c1n[nH]c([N+](=O)[O-])c1Cl	8440697	JMACTOCEAXAYHU-UHFFFAOYSA-N	415.815	1.245	5	50	HDBA	
C[C@@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N1CC2(CNC(=O)N2C)C1	1857676959	NIJNYOJGXWSLPG-CYBMUJFWSA-N	407.426	1.950	5	50	HDBA	
O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	239284787	CAXHIPWGGNPINC-HXXCKNJQSA-N	424.409	1.764	5	50	HDBA	
COc1ccc(NC(=S)NC(=O)CN2C(=O)c3ccccc3C2=O)c([N+](=O)[O-])c1	16383723	GYRAUZDAAJXZNC-UHFFFAOYSA-N	414.399	1.713	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCc3c(nc(O)n3C3CCNCC3)C2)cc1	725373383	HYZMBYACFDLOMI-UHFFFAOYSA-N	407.452	1.168	5	50	HDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCNS(=O)(=O)c1ccc(Cl)cc1	334160404	DCCALRBKHCANFY-UHFFFAOYSA-N	419.868	1.505	5	50	HDBA	
NC(=O)[C@H]1CCCN1Cc1cccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1	170609136	UDNIGPGLRVXDLS-OAHLLOKOSA-N	422.438	1.984	5	50	HDBA	
O=c1c2cc3c(=O)n(C[C@H]4CCCO4)ccc3nc2ccn1CCN1CCOCC1	36367153	LLMAAFQWHITZHU-MRXNPFEDSA-N	410.474	1.223	5	50	HDBA	
Cc1nc(O)c(C(c2cc([N+](=O)[O-])ccc2O)c2c(O)nc(C)nc2O)c(O)n1	3998421	BQSBGDXZNNDPBU-UHFFFAOYSA-N	401.335	1.500	5	50	HDBA	
COc1ccc(CCN2C(=O)C[C@H](NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	4808792	BFVHIOXEYDXTRG-INIZCTEOSA-N	414.418	1.899	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O	239306109	GKWWSMLMOAPXHH-YKSRAPIUSA-N	400.387	1.740	5	50	HDBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@@H]1CN2CCN1CC2	301796955	UOTSTSIZGVYACM-OAHLLOKOSA-N	409.512	1.181	5	50	HDBA	
CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	19858488	JARWUGJIHRBVCI-MRXNPFEDSA-N	406.464	1.815	5	50	HDBA	
C[C@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(N2CCOCC2)c2nonc12	2783941	DNQOSXHVFQNNQL-LLVKDONJSA-N	401.383	1.439	5	50	HDBA	
Cc1ccc(S(=O)(=O)NC[C@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	2847205	IIGWEQQMWNRRRQ-ZDUSSCGKSA-N	413.477	1.549	5	50	HDBA	
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	1177842	JPZYVQXWDBFNNI-UHFFFAOYSA-N	419.459	1.815	5	50	HDBA	
COc1cccc(NC(=O)c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)c1	20389055	QLZRHWRPMUQEOZ-UHFFFAOYSA-N	400.435	1.970	5	50	HDBA	
CCn1cc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c(C(N)=O)n1	2781283	FTHMIIAPDVEFGY-UHFFFAOYSA-N	401.383	1.617	5	50	HDBA	
Cc1c([N+](=O)[O-])cnn1CCC(=O)Nc1cn(C)nc1C(=O)NCc1ccco1	2805145	XHKXACZFNOHBPI-UHFFFAOYSA-N	401.383	1.385	5	50	HDBA	
CSc1n[nH]c(-n2ccc3nc4ccn(C[C@@H]5CCCO5)c(=O)c4cc3c2=O)n1	40398885	UBJNFDHAOWKJBU-NSHDSACASA-N	410.459	1.720	5	50	HDBA	
CCOC(=O)c1cccc(COC(=O)CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	16319995	XDVDOXDZMXQZKJ-UHFFFAOYSA-N	422.415	1.793	5	50	HDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	238997389	AFLSSLASNAFAIK-AQPSJQEXSA-N	410.382	1.374	5	50	HDBA	
COCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21	100675062	NRVWAZWTPKLMTN-UHFFFAOYSA-N	424.482	1.998	5	50	HDBA	
CCOC(=O)C1([S@](C)=O)CCN(S(=O)(=O)c2cc(C)sc2[N+](=O)[O-])CC1	1463731777	GFSLIKCDTJIRAT-VWLOTQADSA-N	424.522	1.430	5	50	HDBA	
Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	899643	HQZIKUWJSZYLRO-UHFFFAOYSA-N	419.459	1.815	5	50	HDBA	
C[C@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@H]2C1	245255676	KLLYTEPSLGRWKC-XHDPSFHLSA-N	402.476	1.958	5	50	HDBA	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@@H]2CCCO2)c1=N	100627348	YLLZLRCJHPYOES-AWEZNQCLSA-N	411.462	1.074	5	50	HDBA	
O=C1[C@@H]2[C@@H](C(=O)N1CCN1CCN(Cc3ccc([N+](=O)[O-])cc3)CC1)[C@H]1C=C[C@H]2C1	100740599	NAERQYNXVOZYOS-ZULIPRJHSA-N	410.474	1.520	5	50	HDBA	
COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1	16213078	NUJLSGAMYOYQBI-UHFFFAOYSA-N	421.431	1.877	5	50	HDBA	
O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	12360647	CJDLRGLVEXLIGM-UHFFFAOYSA-N	416.438	1.938	5	50	HDBA	
CN(C)S(=O)(=O)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	4819268	GMRYIPQNLCQCKX-UHFFFAOYSA-N	418.475	1.808	5	50	HDBA	
CS(=O)(=O)N1CCC(C(=O)Nc2cc(OCC(F)F)cc([N+](=O)[O-])c2)CC1	2804140	GNNOGWQYVQYJRU-UHFFFAOYSA-N	407.395	1.849	5	50	HDBA	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1[N+](=O)[O-]	3613372	XICKPCAUNTWMEO-UHFFFAOYSA-N	411.461	1.812	5	50	HDBA	
CCOC(=O)c1ccnc(N2CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C2)c1[N+](=O)[O-]	328607144	USMHVQUZTROLGT-GFCCVEGCSA-N	416.438	1.975	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	239235333	VTXMQJNWQJPTFV-LABABHMHSA-N	424.409	1.762	5	50	HDBA	
COc1ccc(Cn2ccc3nc4ccn(-c5ncn[nH]5)c(=O)c4cc3c2=O)cc1	36125566	XNUJQLLOORHMDB-UHFFFAOYSA-N	400.398	1.876	5	50	HDBA	
CC(=O)N1CCCC[C@@H]1CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	253432660	MFZJCEIRLIUKRK-GOSISDBHSA-N	424.523	1.838	5	50	HDBA	
CN1CCN(S(=O)(=O)c2ccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)cc2)CC1	36007110	PWZCQIWSPQSGHQ-UHFFFAOYSA-N	418.475	1.712	5	50	HDBA	
CNC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]21	230008170	NXABFLSYFZDXQI-GHTZIAJQSA-N	410.430	1.663	5	50	HDBA	
CC(=O)c1cccc(N2CN=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3C2)c1	1135814	QIKOEKIHLGTVFS-NVMNQCDNSA-N	408.439	1.904	5	50	HDBA	
O=c1c2cc3c(=O)n(C[C@@H]4CCCO4)ccc3nc2ccn1CCN1CCOCC1	36367151	LLMAAFQWHITZHU-INIZCTEOSA-N	410.474	1.223	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	239164837	MZVAJECEFMUBTO-DNYKTSCQSA-N	424.409	1.762	5	50	HDBA	
NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12	247717072	OEFLGVMKOKDVDW-TVFCKZIOSA-N	404.382	1.596	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@@H](O)CN2CCOCC2)c2ccccc2)cc1	22147731	ZYYIJFFDPDFXDI-SFHVURJKSA-N	421.475	1.483	5	50	HDBA	
O=C([C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)N1CCOCC1	752136	TVUZQZKYWYADOX-GOSISDBHSA-N	409.398	1.661	5	50	HDBA	
NC(=O)c1csc(C(=O)NS(=O)(=O)c2cc(Cl)c([N+](=O)[O-])cc2F)c1	252494094	NKTIUXDANWWVID-UHFFFAOYSA-N	407.788	1.666	5	50	HDBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	230038905	XKVUAVZNYHLHFR-KXBFYZLASA-N	402.407	1.173	5	50	HDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	239284786	CAXHIPWGGNPINC-DEGRCIOYSA-N	424.409	1.764	5	50	HDBA	
CCOC(=O)c1sc(NC(=O)Cn2cnc([N+](=O)[O-])n2)c(C(=O)OCC)c1C	1821144	ZZENFIGEOLJUPF-UHFFFAOYSA-N	411.396	1.548	5	50	HDBA	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2cccnc2)c1=N	100677384	NUAKQZCTKFDUKO-UHFFFAOYSA-N	418.457	1.338	5	50	HDBA	
CCn1nccc1CN(C)c1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-]	225649143	DSNWJQYNIQFPQS-UHFFFAOYSA-N	422.511	1.384	5	50	HDBA	
COc1ccc(C(=O)NC(=S)Nc2ccc(S(N)(=O)=O)cc2)cc1[N+](=O)[O-]	2884421	HCBXCHUKUFYEEH-UHFFFAOYSA-N	410.433	1.378	5	50	HDBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCN(C[C@@H]2CCOC2)CC1	464032326	QCIGJUIIBBOXFT-HNNXBMFYSA-N	404.467	1.767	5	50	HDBA	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	1606987	JIWUESGGKYLPPG-ZEQRLZLVSA-N	414.546	1.857	5	50	HDBA	in-vivo
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19851012	CZOCOEBOCSNKST-UHFFFAOYSA-N	405.432	1.830	5	50	HDBA	
CCc1nnc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])o1	242292499	YMTBOQVXMYFXKF-UHFFFAOYSA-N	410.456	1.088	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	239235331	VTXMQJNWQJPTFV-DNYKTSCQSA-N	424.409	1.762	5	50	HDBA	
O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCOCC1	4524661	UEWKLALUZLGBCS-UHFFFAOYSA-N	405.432	1.649	5	50	HDBA	
CN(C)CC[C@](C)(O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	170601938	LHRQYEYUQHQAAG-KRWDZBQOSA-N	400.501	1.494	5	50	HDBA	
O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	100740598	NAERQYNXVOZYOS-QGZVKYPTSA-N	410.474	1.520	5	50	HDBA	
COc1ccc(CCNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	2816822	WZZZRTNIPPGCTI-UHFFFAOYSA-N	407.448	1.728	5	50	HDBA	
COc1ccc(NC(=O)c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)cc1	20387415	YCEHKWUFVPRRGS-UHFFFAOYSA-N	400.435	1.970	5	50	HDBA	
CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	328608427	YZDOTNAYDRHKPB-LBPRGKRZSA-N	407.452	1.588	5	50	HDBA	
COCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21	100627908	SDTJGFDQVMXURW-UHFFFAOYSA-N	403.442	1.705	5	50	HDBA	
CCOC(=O)c1cnc(S[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc1N	18180135	UQVOHZOBTQFHCK-GFCCVEGCSA-N	417.403	1.568	5	50	HDBA	
Cn1cc(Br)c(C(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)n1	2760116	PKGCYCIAAFAGQT-UHFFFAOYSA-N	422.239	1.689	5	50	HDBA	
CN(CCN(C)c1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(F)F	170619640	XNMHEZDOBSLRFI-UHFFFAOYSA-N	422.454	1.249	5	50	HDBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(N)=O)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O	248102751	KEKUGUJXCCMEHX-BVBHFADKSA-N	418.409	1.778	5	50	HDBA	
CS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)CC2)c([N+](=O)[O-])c1	252517843	SSFUHUMKVGUSNY-WIOUJZMWSA-N	419.503	1.939	5	50	HDBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCc1ccc(C)cc1)S(C)(=O)=O	4811242	OLWXTSTXMYEDEU-UHFFFAOYSA-N	407.448	1.994	5	50	HDBA	
O=C1NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccccc1	247405250	OGNGFNUEJLXBRZ-LAUBAEHRSA-N	422.397	1.626	5	50	HDBA	
O=C(NCCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1)C(=O)Nc1ccccc1	95511657	KHNSRMGCCVIOHE-UHFFFAOYSA-N	411.462	1.467	5	50	HDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1ccc([N+](=O)[O-])cc1	238997392	AFLSSLASNAFAIK-PAUSBUDFSA-N	410.382	1.374	5	50	HDBA	
NC(=O)C1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)CC1	4693911	VBBPEKUEZYEBCP-UHFFFAOYSA-N	410.430	1.962	5	50	HDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1cccc([N+](=O)[O-])c1	239254670	YQEBBBBNLBCPPY-BVBVUKCESA-N	424.409	1.764	5	50	HDBA	
O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N1N=C(C(F)F)C[C@]1(O)C(F)F	655257	KXHGKNXAXJPFOQ-AWEZNQCLSA-N	405.264	1.853	5	50	HDBA	
O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	840681	RGIDXFRJUPDTTI-UHFFFAOYSA-N	405.432	1.649	5	50	HDBA	
O=[N+]([O-])c1ccc(N[C@H](CO)Cc2ccccn2)c(S(=O)(=O)N2CCCC2)c1	170610820	UNEIFYMYVZWGCB-HNNXBMFYSA-N	406.464	1.790	5	50	HDBA	
COCCCn1c(=O)c2ccc3c(=O)n(CCCOC)c(=O)c4ccc(c1=O)c2c34	4724284	VZEBIJMLBREBNW-UHFFFAOYSA-N	410.426	1.139	5	50	HDBA	
CN(C)[C@H]1N(C(=O)c2cccc([N+](=O)[O-])c2)N=C2c3ccccc3S(=O)(=O)N21	19929877	CBNIELXRDWTVDI-KRWDZBQOSA-N	401.404	1.262	5	50	HDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	2876255	RGZCBOQCCLKEHC-UHFFFAOYSA-N	423.403	1.737	5	50	HDBA	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)c1=N	100627350	YLLZLRCJHPYOES-CQSZACIVSA-N	411.462	1.074	5	50	HDBA	
C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	15682805	XARVUVRDAIALQR-HNNXBMFYSA-N	419.459	1.895	5	50	HDBA	
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	100583586	YSKGUEJFZJXOGS-HNNXBMFYSA-N	419.441	1.831	5	50	HDBA	
CCn1cc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C(N)=O)n1	253421775	VGVZPOKWLFKMBZ-UHFFFAOYSA-N	402.367	1.237	5	50	HDBA	
Cc1cnc(N2CCC[C@H](n3ncc(N4CCOCC4)cc3=O)C2)c([N+](=O)[O-])c1	328607561	WKGUMEABOOBRHW-HNNXBMFYSA-N	400.439	1.533	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	239235334	VTXMQJNWQJPTFV-MAKYCWLISA-N	424.409	1.762	5	50	HDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	1175288	JDOZQNUKOZYCND-UHFFFAOYSA-N	411.461	1.290	5	50	HDBA	
C=CC(=O)N1CCC[C@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	2325889223	GMLQISRYIJNWMY-INIZCTEOSA-N	400.435	1.304	5	50	HDBA	
O=c1[nH]c(=S)[nH]c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)[nH]c(=S)[nH]c1=O	16183896	CTJXOCQTDGSKGD-UHFFFAOYSA-N	421.416	1.678	5	50	HDBA	
NS(=O)(=O)C[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1	443004216	RSKAMYUMOQIUNV-LBPRGKRZSA-N	417.462	1.961	5	50	HDBA	
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc(S(=O)(=O)NCc2cccnc2)o1	1857799977	RSPIEVYZKMMCPF-UHFFFAOYSA-N	409.405	1.770	5	50	HDBA	
C[C@H](OC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C(=O)N[C@@H]1CCCC[C@H]1C	241869087	SUHLTYURFCLCCA-MBNYWOFBSA-N	417.418	1.817	5	50	HDBA	
O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12428318	JCNABSPACIUOKJ-UHFFFAOYSA-N	416.438	1.938	5	50	HDBA	
CNC(=O)[C@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCN(c3ccccc3)C[C@H]21	230008164	NXABFLSYFZDXQI-RXVVDRJESA-N	410.430	1.663	5	50	HDBA	
NS(=O)(=O)c1ccc(Nc2c([N+](=O)[O-])ccc3c2=NC2(CCCCC2)N=3)cc1	100692134	WQBINPDTAFNMAU-UHFFFAOYSA-N	401.448	1.899	5	50	HDBA	
C[C@H](OC(=O)[C@H](C)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1	249692339	MIQZZZUSWDELKT-YXAMBPQSSA-N	415.402	1.805	5	50	HDBA	
CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	19933300	VGFSOSARHVRUIF-KRWDZBQOSA-N	404.423	1.440	5	50	HDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O	239309972	HZHOIYBSOJAKDR-GCQCLRAASA-N	411.414	1.985	5	50	HDBA	
COCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	229903386	CKRMRMHVHBBTKU-HNAYVOBHSA-N	402.407	1.221	5	50	HDBA	
COCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21	2253222	CTBXWLIBWHUSRD-UHFFFAOYSA-N	418.457	1.408	5	50	HDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	238997390	AFLSSLASNAFAIK-HSGSIZQLSA-N	410.382	1.374	5	50	HDBA	
Cc1ccc(S(=O)(=O)NC[C@@H](C)NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	2847204	IIGWEQQMWNRRRQ-CYBMUJFWSA-N	413.477	1.549	5	50	HDBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CN2CCOCC2)n1C	19799460	SNHIKZMJRGQJDD-UHFFFAOYSA-N	406.468	1.595	5	50	HDBA	
COCCN(CCC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1	1309934282	CWRVEDQKZRVDID-UHFFFAOYSA-N	418.468	1.972	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccs3)CC2)cc1	2803337	GTUIOJXVITVVDA-UHFFFAOYSA-N	417.490	1.352	5	50	HDBA	
COC(=O)c1c(C(=O)O)nn2c1CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)CC2	65337379	DGRBRZWMVATJNJ-UHFFFAOYSA-N	404.335	1.429	5	50	HDBA	in-vitro
NS(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	16345891	BXQDPYMQMFYFRW-UHFFFAOYSA-N	421.504	1.761	5	50	HDBA	
Cc1c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@@H](C)C2)cc(S(N)(=O)=O)cc1[N+](=O)[O-]	229815514	KIWCZOZTIMAKDZ-JHJVBQTASA-N	412.512	1.647	5	50	HDBA	
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1	328603334	FRWVYRJZNGYIDA-YOEHRIQHSA-N	400.439	1.267	5	50	HDBA	
COc1ccc(Cn2cc(I)c(=O)[nH]c2=O)cc1[N+](=O)[O-]	1114188	KCYXRASKZALTQU-UHFFFAOYSA-N	403.132	1.106	5	50	HDBA	
CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	328608426	YZDOTNAYDRHKPB-GFCCVEGCSA-N	407.452	1.588	5	50	HDBA	
CCN(CC)S(=O)(=O)c1ccc(N2CC[C@H](C)S(=O)(=O)CC2)c([N+](=O)[O-])c1	170613566	HNCRDZNTCRBVOO-ZDUSSCGKSA-N	419.525	1.639	5	50	HDBA	
O=C([C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCc2ncccc21	770232034	VQKWNYNPEGKGCS-AWEZNQCLSA-N	416.459	1.980	5	50	HDBA	
COC(=O)CN(c1ccc(OC)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-]	651498	FZOFYRLGMSKDQQ-UHFFFAOYSA-N	410.404	1.980	5	50	HDBA	
C[C@@H]1CN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=O)N(C)C3=O)[C@H]2[C@@H](C)O1	245328577	VIXMBQCARUTQKT-UEKVPHQBSA-N	402.407	1.170	5	50	HDBA	
Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cn1	20617835	SFQQRMACGZMLTI-UHFFFAOYSA-N	413.419	1.829	5	50	HDBA	
CNC(=O)c1nn(C)cc1NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1	2809734	BRZNGHCABMZOHE-UHFFFAOYSA-N	417.813	1.838	5	50	HDBA	
COc1c(S(=O)(=O)NCCn2cncn2)cc(Br)c(C)c1[N+](=O)[O-]	493212310	YXKNNPDGQYRCIS-UHFFFAOYSA-N	420.245	1.244	5	50	HDBA	
O=C(c1ccccc1)N1CCN([C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	20072197	RBPHXNPVMSXPBP-GOSISDBHSA-N	408.414	1.685	5	50	HDBA	
O=C(c1cc(-c2ccncc2)[nH]n1)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	886024564	DWHFZJFLHKXWKT-GXTWGEPZSA-N	406.402	1.801	5	50	HDBA	
O=C(C1CC1)N1CCN(c2ccc(Nc3ncc([N+](=O)[O-])c(=NC4CC4)[nH]3)cn2)CC1	2325729479	VZKSCTTUCDUTIK-UHFFFAOYSA-N	424.465	1.578	5	50	HDBA	
COc1ccccc1Cn1ccc2nc3ccn(-c4ncn[nH]4)c(=O)c3cc2c1=O	36359852	QVXOJGBIIYJOCI-UHFFFAOYSA-N	400.398	1.876	5	50	HDBA	
COC(=O)C1=C(C(=O)OC)[C@@H](c2cc([N+](=O)[O-])ccc2O)c2sc(=O)[nH]c2S1	13496822	PVTYDKLZQBQGRH-SECBINFHSA-N	424.412	1.888	5	50	HDBA	
O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	239284788	CAXHIPWGGNPINC-PSJNWGMYSA-N	424.409	1.764	5	50	HDBA	
O=C(NCCO)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(Br)o1	2316953	WDQWEBBYVLALDT-XFXZXTDPSA-N	424.207	1.830	5	50	HDBA	
O=C(c1ccccc1)N1CCN([C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)CC1	4372984	RBPHXNPVMSXPBP-SFHVURJKSA-N	408.414	1.685	5	50	HDBA	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	893110	IQKFEPLHPHAPGH-UHFFFAOYSA-N	405.432	1.750	5	50	HDBA	
CSc1n[nH]c(-n2ccc3nc4ccn(C[C@H]5CCCO5)c(=O)c4cc3c2=O)n1	40398886	UBJNFDHAOWKJBU-LLVKDONJSA-N	410.459	1.720	5	50	HDBA	
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O	12374532	CXCXJPHFVLOUKJ-UHFFFAOYSA-N	421.325	1.024	5	50	HDBA	
CN(C(=S)SNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])[C@H]1CCS(=O)(=O)C1	16134108	ISSFBXBDFQUSLD-VIFPVBQESA-N	406.467	1.967	5	50	HDBA	
COc1ccccc1C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	899669	OCVZJTYHBRMHGS-UHFFFAOYSA-N	405.432	1.750	5	50	HDBA	
CN1CCN(C)[C@@H](CNC(=O)c2cc(Br)cc([N+](=O)[O-])c2Cl)C1	221948070	VBYWZGSLGMXWAB-JTQLQIEISA-N	405.680	1.986	5	50	HDBA	
CCCS(=O)(=O)NC1CCN(C(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2F)CC1	225748272	HAVNWLXOSQLIJB-UHFFFAOYSA-N	416.475	1.734	5	50	HDBA	
NS(=O)(=O)c1cc(N2CCc3c(cccc3N3CCOC3=O)C2)cc([N+](=O)[O-])c1	742423845	XFBXFEPDOAWCPH-UHFFFAOYSA-N	418.431	1.762	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21	1302879253	QUDKNFSCBPJVRG-OAUYIBNBSA-N	404.220	1.974	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	239164838	MZVAJECEFMUBTO-IIIIREBLSA-N	424.409	1.762	5	50	HDBA	
COCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc21	100627997	UANGGHOKKCEYBZ-UHFFFAOYSA-N	421.457	1.997	5	50	HDBA	
COc1ccc(C(=O)NCC(=O)NCC(=O)OCc2cccc([N+](=O)[O-])c2)cc1	2850714	PCWJOEQHHPKNJY-UHFFFAOYSA-N	401.375	1.193	5	50	HDBA	
CC(C)(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	230060027	IXLMWYVEYGQIQX-IFXJQAMLSA-N	402.407	1.219	5	50	HDBA	
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@@H]1CCc2c(O)cccc21	465983526	PMVHEHOJEAWSTA-CQSZACIVSA-N	420.447	1.565	5	50	HDBA	
COc1ccc(CC(=O)N2C[C@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)cc1OC	824736793	VIOZYPCNCHTPPI-HUUCEWRRSA-N	413.430	1.962	5	50	HDBA	biogenic
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	1606984	JIWUESGGKYLPPG-DNQXCXABSA-N	414.546	1.857	5	50	HDBA	in-vivo
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	100642231	GGYAXPJADJBMLE-GJZGRUSLSA-N	423.473	1.216	5	50	HDBA	
CS(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc(OCC(F)F)cc([N+](=O)[O-])c2)C1	2808096	YHAKEIJEMMXJCC-SNVBAGLBSA-N	407.395	1.849	5	50	HDBA	
CN1CCN(C(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)CC1	20295801	KWYGPLYKPMWBPC-UHFFFAOYSA-N	418.475	1.564	5	50	HDBA	
O=C(CS(=O)(=O)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4676849	WVZUFZTVXJWXCF-UHFFFAOYSA-N	403.460	1.858	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]21	1302879249	QUDKNFSCBPJVRG-AFAVFJNCSA-N	404.220	1.974	5	50	HDBA	
C[C@@H](CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)CN1CCOCC1	241121810	JEBDQYQPFABFEH-LBPRGKRZSA-N	423.857	1.838	5	50	HDBA	
CCOC(=O)c1cnc(S[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)nc1N	100118979	UQVOHZOBTQFHCK-LBPRGKRZSA-N	417.403	1.568	5	50	HDBA	
CCOC(=O)C1=NN[C@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@@H]12	4719445	LUFWWQPZKNTNBC-QRWLVFNGSA-N	408.370	1.502	5	50	HDBA	
O=C(CSC1=NC(=O)[C@@H](c2ccccc2)C(=O)N1)Nc1ncc([N+](=O)[O-])s1	15799493	YXECXGWBRDFHNF-UHFFFAOYSA-N	405.417	1.519	5	50	HDBA	
Cc1c(C)[n+]([O-])c([C@H](c2ccc([N+](=O)[O-])cc2)C2C(=O)OC(C)(C)OC2=O)n1C	263588572	VVSLERAHUBESRU-CQSZACIVSA-N	403.391	1.768	5	50	HDBA	
CCOC(=O)c1ncn(C2CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])CC2)c1N	225670890	XJYIUKZZZYWVSH-UHFFFAOYSA-N	416.438	1.486	5	50	HDBA	
C[C@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	253426823	RPFIMLDAWHCJTD-QGZVFWFLSA-N	404.404	1.209	5	50	HDBA	
O=[N+]([O-])c1cccc(S(=O)(=O)c2ccc(NCCOCCO)c([N+](=O)[O-])c2)c1	8990063	SLRVCGXZRCZJNO-UHFFFAOYSA-N	411.392	1.757	5	50	HDBA	
O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1ccc(F)cc1	16382270	FJXZUPATUCEGRP-UHFFFAOYSA-N	422.438	1.679	5	50	HDBA	
COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-]	1140165	SAUGRXIAIZBKHQ-UHFFFAOYSA-N	421.431	1.877	5	50	HDBA	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	1178410	RSQLEZBFPOCGQK-UHFFFAOYSA-N	405.432	1.750	5	50	HDBA	
CCCC(=O)N1CCC[C@H]1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC	253425654	VNFZBDDWUDYTAP-AWEZNQCLSA-N	412.468	1.623	5	50	HDBA	
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)c1nnc2ccccn12	170604983	AXHSEHOUCKEHTQ-JTQLQIEISA-N	405.392	1.464	5	50	HDBA	
CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N[C@H]1CCC(=O)NC1=O	225809116	YLUIIQBZUVZECN-VIFPVBQESA-N	413.228	1.469	5	50	HDBA	
CC(C)(Nc1cc(Br)ccc1[N+](=O)[O-])C(=O)N[C@@H]1CCC(=O)NC1=O	225809131	YLUIIQBZUVZECN-SECBINFHSA-N	413.228	1.469	5	50	HDBA	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccco2)c1=N	100627249	XQLAXMKFRLJFCC-UHFFFAOYSA-N	407.430	1.536	5	50	HDBA	
COC(=O)c1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc([N+](=O)[O-])c1	8721919	YOJOHKAENFBBFH-UHFFFAOYSA-N	407.404	1.001	5	50	HDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	101324131	ROJRGBOTBCBWAG-LUVWLHFXSA-N	400.387	1.742	5	50	HDBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1	766255134	NNXRMQXDKWNTQV-WMLDXEAASA-N	415.450	1.856	5	50	HDBA	
O=C(CN1C(=O)[C@H]2CC=CC[C@@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	17986908	XIVLDVZEKXJNAG-RYUDHWBXSA-N	406.778	1.925	5	50	HDBA	
NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1	16428504	YWOMULUGWMJZAY-UHFFFAOYSA-N	406.420	1.331	5	50	HDBA	
CCOC(=O)c1ccnc(N2CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C2)c1[N+](=O)[O-]	328607145	USMHVQUZTROLGT-LBPRGKRZSA-N	416.438	1.975	5	50	HDBA	
O=c1c2ccc3c(=O)n(-c4ccncc4)c(=O)c4ccc(c(=O)n1-c1ccncc1)c2c34	1234946	IBRPEOCBRYYINT-UHFFFAOYSA-N	420.384	1.834	5	50	HDBA	
NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	1840680	KEIDHPMOQCEFNS-XCVCLJGOSA-N	406.445	1.769	5	50	HDBA	
CN(C)c1noc(CCNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)n1	170603367	ZOKJWUJOUVNWKF-UHFFFAOYSA-N	410.456	1.483	5	50	HDBA	
CS(=O)(=O)N1CCC[C@H](C(=O)Nc2cc(OCC(F)F)cc([N+](=O)[O-])c2)C1	2808097	YHAKEIJEMMXJCC-JTQLQIEISA-N	407.395	1.849	5	50	HDBA	
C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1	15682804	XARVUVRDAIALQR-OAHLLOKOSA-N	419.459	1.895	5	50	HDBA	
COc1ccc(C(=O)CN(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCC2=O)cc1	2871888	FYKIUBPXGXZZRY-UHFFFAOYSA-N	411.370	1.993	5	50	HDBA	
Nc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2S(=O)(=O)O)c(S(=O)(=O)O)c1	4253917	GHBWBMDGBCKAQU-OWOJBTEDSA-N	400.390	1.841	5	50	HDBA	in-vitro
COc1ccc(Cn2c(S(=O)(=O)CC(N)=O)nc3ccccc32)cc1[N+](=O)[O-]	6244614	YQXCZXLDHAHDSL-UHFFFAOYSA-N	404.404	1.260	5	50	HDBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)OCO2)S(C)(=O)=O	13896671	FTIVPUQTAZIGPK-UHFFFAOYSA-N	423.403	1.737	5	50	HDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	101324127	ROJRGBOTBCBWAG-DSIZOQBWSA-N	400.387	1.742	5	50	HDBA	
COC(=O)c1nn2c(c1C(=O)OC)CN(C(=O)OCc1ccc([N+](=O)[O-])cc1)CC2	97757013	UGJOVBXAYTUUFA-UHFFFAOYSA-N	418.362	1.517	5	50	HDBA	
NC(=O)CC1CCN(c2ccc([N+](=O)[O-])c(N3CCC(CC(N)=O)CC3)n2)CC1	170610838	GUIQVQHOSPPPNE-UHFFFAOYSA-N	404.471	1.173	5	50	HDBA	
CCc1cnc(CNc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[N+](=O)[O-])o1	476033423	OOAWYSUXOGFBCE-UHFFFAOYSA-N	409.468	1.693	5	50	HDBA	
NC(=O)[C@@H]1CCCN1Cc1cccc(NS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])c1	170609137	UDNIGPGLRVXDLS-HNNXBMFYSA-N	422.438	1.984	5	50	HDBA	
Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1	1858213	WGTOJUNLOQTWLT-UHFFFAOYSA-N	413.386	1.175	5	50	HDBA	
Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)cc1[N+](=O)[O-]	2778439	LDQATOWMXFWUKD-UHFFFAOYSA-N	402.436	1.829	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1[C@@H]2Cc3c(Br)cccc3[C@@H]21	1302129841	KOCMPZCMGXOTHU-ZTFRIQLXSA-N	404.220	1.974	5	50	HDBA	
CS(=O)(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	1065184	CQWDCSLGNDXZLE-UHFFFAOYSA-N	404.448	1.929	5	50	HDBA	
Cc1cc([N+](=O)[O-])cnc1N1CCC[C@@H](n2ncc(N3CC[C@H](O)C3)cc2=O)C1	328603333	FRWVYRJZNGYIDA-PBHICJAKSA-N	400.439	1.267	5	50	HDBA	
CC(=O)c1ccc(N2CN=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3C2)cc1	1182677	VQBQNVFOFVMDJE-ZDLGFXPLSA-N	408.439	1.904	5	50	HDBA	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@H](c2n[nH]cc2C(=O)N2CCOCC2)C1	328602296	AYPRUPOZHGNBGH-HNNXBMFYSA-N	413.434	1.810	5	50	HDBA	
CN(C)CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCCC1	170601937	LHRQYEYUQHQAAG-QGZVFWFLSA-N	400.501	1.494	5	50	HDBA	
COc1cc(F)c(S(=O)(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1[N+](=O)[O-]	328595720	CJNZMVSZOBSPAY-UHFFFAOYSA-N	404.397	1.947	5	50	HDBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN([C@H](CO)c2ccc(Br)cc2)CC1	1875252720	AMCUKRAOCQQKLI-CQSZACIVSA-N	424.255	1.572	5	50	HDBA	
O=C(c1ccc(Cn2cc([N+](=O)[O-])cn2)o1)N1N=C(C(F)F)C[C@@]1(O)C(F)F	655260	KXHGKNXAXJPFOQ-CQSZACIVSA-N	405.264	1.853	5	50	HDBA	
COCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1	5112953	SUYOSARWVAMFLD-UHFFFAOYSA-N	407.448	1.943	5	50	HDBA	
COc1cc(CNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)cc(OC)c1OC	12418754	IPDCXZPEGDEWEA-UHFFFAOYSA-N	418.366	1.178	5	50	HDBA	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)c1=N	100627161	GRXZLTTYAXEDPD-UHFFFAOYSA-N	417.469	1.943	5	50	HDBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1	766255128	NNXRMQXDKWNTQV-PBHICJAKSA-N	415.450	1.856	5	50	HDBA	
CCOC(=O)C1=C(CN2CCSCC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	19858490	JARWUGJIHRBVCI-INIZCTEOSA-N	406.464	1.815	5	50	HDBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(N)=O	248102756	KEKUGUJXCCMEHX-DSLXNQLJSA-N	418.409	1.778	5	50	HDBA	
C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1cccc([N+](=O)[O-])c1	248319344	QCZPONTWOFZWJL-APHBMKBZSA-N	415.402	1.806	5	50	HDBA	
O=c1c2ccc3c(=O)n(-c4ccccn4)c(=O)c4ccc(c(=O)n1-c1ccccn1)c2c34	603748	OQQJBNNVJJILSS-UHFFFAOYSA-N	420.384	1.834	5	50	HDBA	
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	100642232	GGYAXPJADJBMLE-LSDHHAIUSA-N	423.473	1.216	5	50	HDBA	
C[C@H]1SC(NC(=O)CCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)=NC1=O	13839415	BGFMWHSJOBLZGY-SECBINFHSA-N	404.404	1.495	5	50	HDBA	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)N1CCOCC1	835132	QFHLHWKCXPEDFV-UHFFFAOYSA-N	405.432	1.649	5	50	HDBA	
O=C(N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2)C1(n2cnnn2)CCCCC1	886024609	PMVPEWMVPCQCDP-UONOGXRCSA-N	413.438	1.048	5	50	HDBA	
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C)CCO4)cc3)cc2)C1	13118373	JIWUESGGKYLPPG-PSWAGMNNSA-N	414.546	1.857	5	50	HDBA	in-vivo
CC(=O)N1CCCC[C@H]1CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	253432661	MFZJCEIRLIUKRK-SFHVURJKSA-N	424.523	1.838	5	50	HDBA	
C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1	1115969	CHGMRRNXCGYNLZ-ZIAGYGMSSA-N	411.480	1.631	5	50	HDBA	
Cc1ccc(S(=O)(=O)NCCCNS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	2832567	BDHWFNCZARHUQM-UHFFFAOYSA-N	413.477	1.550	5	50	HDBA	
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)NC(=O)N=C3O)[C@H]2C1	245327751	QENNDIHQKKQBCK-QMTHXVAHSA-N	416.390	1.492	5	50	HDBA	
Cc1cc(C)nc(NS(=O)(=O)c2ccc(Nc3ncnc(N)c3[N+](=O)[O-])cc2)n1	9391662	IINVHXPGBSAHAP-UHFFFAOYSA-N	416.423	1.918	5	50	HDBA	
Cn1nc(-c2ccc(N3CCN(CCO)CC3)c([N+](=O)[O-])c2)c2ccccc2c1=O	19928835	KBXRGOKFLWJQSP-UHFFFAOYSA-N	409.446	1.623	5	50	HDBA	
COC(=O)C1=C(C(=O)OC)[C@H](c2cc([N+](=O)[O-])ccc2O)c2sc(=O)[nH]c2S1	13496823	PVTYDKLZQBQGRH-VIFPVBQESA-N	424.412	1.888	5	50	HDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O	1134492	CPCJRVNTADJTFG-UHFFFAOYSA-N	405.388	1.777	5	50	HDBA	
COC(=O)c1nnn(-c2nonc2N)c1CSc1nc2cc([N+](=O)[O-])ccc2[nH]1	8439295	MWJQCSJWRJDWAX-UHFFFAOYSA-N	417.367	1.096	5	50	HDBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@H]32)C1=O	230039429	NOKXIGUAECPSIN-OXJNMPFZSA-N	415.450	1.088	5	50	HDBA	
CC(=O)Oc1ccc2nc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)oc(=O)c2c1	692527	RGGSQGDMHONFHH-UHFFFAOYSA-N	409.310	1.818	5	50	HDBA	
COc1ccccc1N1CCN(C(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)CC1	2251026	VEEMNQGYNNZJEE-UHFFFAOYSA-N	424.413	1.548	5	50	HDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)N(C)C	16425213	NDTXQVHAGHKFBV-UHFFFAOYSA-N	408.436	1.855	5	50	HDBA	
O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1	1062569	QNODPBWFFDUXDQ-UHFFFAOYSA-N	421.431	1.633	5	50	HDBA	
CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2	1141239	WSKYOZGGKJELLB-UHFFFAOYSA-N	407.404	1.771	5	50	HDBA	
O=C(CN1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1)N1CCOCC1	55444216	HSKYPZFIXJJAQN-UHFFFAOYSA-N	403.483	1.176	5	50	HDBA	
COC(=O)c1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@H](C)c1nnc2ccccn12	170604984	AXHSEHOUCKEHTQ-SNVBAGLBSA-N	405.392	1.464	5	50	HDBA	
CC1=NN(C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)[C@](O)(C(F)(F)F)C1	1012156	OMPDVCAPPCFTTH-SNVBAGLBSA-N	414.138	1.721	5	50	HDBA	
COCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21	100633100	IPXLONAHDFHLLB-UHFFFAOYSA-N	424.482	1.916	5	50	HDBA	
C[N+]1(C[C@@H](O)COc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	856022	OPSYHBROXNVHJH-LJQANCHMSA-N	400.455	1.937	5	50	HDBA	
O=C(Nc1cc(SC[C@@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1	2731648	RHEZSWCWNXHEPA-HNNXBMFYSA-N	416.419	1.268	5	50	HDBA	
Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1[N+](=O)[O-])CC[C@@H](C)C3	2778378	NIXWPIGNHJKNRK-MRVPVSSYSA-N	402.436	1.917	5	50	HDBA	
O=c1c2[nH]n3c(-c4ccc(O)c([N+](=O)[O-])c4)nnc3sc=2c(=O)c2ccccc12	100721272	KCWSGXLAETTXKN-UHFFFAOYSA-N	407.367	1.998	5	50	HDBA	
O=C(COc1ccccc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	899630	PTYRPRWKYHSUBJ-UHFFFAOYSA-N	405.432	1.507	5	50	HDBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCN(C[C@H]2CCOC2)CC1	464032327	QCIGJUIIBBOXFT-OAHLLOKOSA-N	404.467	1.767	5	50	HDBA	
NS(=O)(=O)[C@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1	444088259	NJUOCBVTVDXQFY-NSHDSACASA-N	403.435	1.714	5	50	HDBA	
N=c1c2c(=O)oc3ccccc3c2ccn1CCNC(=O)Cn1cc([N+](=O)[O-])cn1	1776111729	NHTHMXRKICDMAI-UHFFFAOYSA-N	408.374	1.148	5	50	HDBA	
O=C(CCN1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	101888518	ROJRGBOTBCBWAG-RPLLJCPNSA-N	400.387	1.742	5	50	HDBA	
O=C(CN1N=N[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21)Nc1cccc(F)c1	12779081	JPEASLOFECOCME-CVEARBPZSA-N	412.337	1.666	5	50	HDBA	
CSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1	40398897	MGXHCOHHPQGTAD-UHFFFAOYSA-N	403.427	1.925	5	50	HDBA	
CC(C)(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	230060024	IXLMWYVEYGQIQX-LIRRHRJNSA-N	402.407	1.219	5	50	HDBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCN(C)C[C@H]32)C1=O	230039423	NOKXIGUAECPSIN-JXFKEZNVSA-N	415.450	1.088	5	50	HDBA	
COC(=O)CC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N1	19788382	NAQXGRLNPLSGNV-INIZCTEOSA-N	404.375	1.719	5	50	HDBA	
C[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3CC3(C(=O)N(C)C(=S)N(C)C3=O)[C@H]2C1	245255675	KLLYTEPSLGRWKC-IAQYHMDHSA-N	402.476	1.958	5	50	HDBA	
O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1CCN1CCOCC1	38829013	PMFILNAXSUXVQX-UHFFFAOYSA-N	403.442	1.428	5	50	HDBA	
C[C@H](Oc1ccc2c(c1)oc(=O)c1ccccc12)C(=O)N1CC2(CNC(=O)N2C)C1	1857676960	NIJNYOJGXWSLPG-ZDUSSCGKSA-N	407.426	1.950	5	50	HDBA	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4cccc(F)c4)CC3)cc21	4740906	PZSYEDMLXIIDSK-UHFFFAOYSA-N	413.409	1.887	5	50	HDBA	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	19681844	JLVWMPLTBPODKN-UHFFFAOYSA-N	405.432	1.830	5	50	HDBA	
O=C1c2ccccc2S(=O)(=O)N1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	22591720	BYSAILLMFYUSFN-UHFFFAOYSA-N	402.432	1.519	5	50	HDBA	
Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)c1[N+](=O)[O-]	2778161	UTNQUJAUWBNWMG-UHFFFAOYSA-N	402.436	1.979	5	50	HDBA	
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCOCC2)c2cccc([N+](=O)[O-])c2)cc1	1130026	HEWPPAQFXWRXIZ-UHFFFAOYSA-N	419.459	1.957	5	50	HDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCc2c(nc(O)n2C2CCNCC2)C1	725374270	MEHTVOQRRLFQGI-UHFFFAOYSA-N	407.452	1.168	5	50	HDBA	
COc1cc(CNC(=O)c2cc(O)ccc2[N+](=O)[O-])ccc1OCC(=O)N(C)C	170617911	WAKUSJOHOJBFGP-UHFFFAOYSA-N	403.391	1.706	5	50	HDBA	
CS(=O)(=O)N(CC(=O)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1	4881517	SJLVBPDITPEAGD-UHFFFAOYSA-N	418.475	1.710	5	50	HDBA	
O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCCC2)c1	2708987	ZUVSBFZTIJIOCR-GOSISDBHSA-N	419.459	1.843	5	50	HDBA	
O=C(OCC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	2923953	HMOCJTZUQRVBTQ-UHFFFAOYSA-N	416.298	1.655	5	50	HDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1ccc([N+](=O)[O-])cc1	239284785	CAXHIPWGGNPINC-BVBVUKCESA-N	424.409	1.764	5	50	HDBA	
C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@@H](C)O1	12538745	CHGMRRNXCGYNLZ-OKILXGFUSA-N	411.480	1.631	5	50	HDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	239309974	HZHOIYBSOJAKDR-VYVINXJXSA-N	411.414	1.985	5	50	HDBA	
O=C(CCCn1cc([N+](=O)[O-])cn1)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19874312	GNMPGFLRLVMBCI-UHFFFAOYSA-N	401.423	1.645	5	50	HDBA	
O=C(CN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	100535248	XIVLDVZEKXJNAG-VXGBXAGGSA-N	406.778	1.925	5	50	HDBA	
COCCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc21	100627994	DFAWUCFXGCMPOZ-UHFFFAOYSA-N	407.430	1.688	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	239164840	MZVAJECEFMUBTO-MAKYCWLISA-N	424.409	1.762	5	50	HDBA	
O=C(CSc1nnnn1-c1ccc(C(=O)O)cc1)Nc1ccccc1[N+](=O)[O-]	13646180	OKXHPDHWCIYOFD-UHFFFAOYSA-N	400.376	2.000	5	50	HDBA	
C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2)N1Cc2ccccc2C1=O	409413317	KNMYYZSWXGJTFS-OFQRWUPVSA-N	422.441	1.747	5	50	HDBA	biogenic
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCN(c2ccc(F)cc2)CC1	2503479	FTOQIXAIJWUGPL-UHFFFAOYSA-N	412.377	1.679	5	50	HDBA	
NS(=O)(=O)C[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1	443003964	RSKAMYUMOQIUNV-GFCCVEGCSA-N	417.462	1.961	5	50	HDBA	
CN(C)S(=O)(=O)c1ccc2c(c1)oc(=O)c1cc(S(=O)(=O)N(C)C)ccc12	811941	YILRKLJVLHQXLY-UHFFFAOYSA-N	410.473	1.447	5	50	HDBA	
COc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	15919522	YWUSBRMGCKAOGO-UHFFFAOYSA-N	421.431	1.877	5	50	HDBA	
O=C(CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	239254671	YQEBBBBNLBCPPY-DEGRCIOYSA-N	424.409	1.764	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@H]21	1302129840	KOCMPZCMGXOTHU-YMRXKLBXSA-N	404.220	1.974	5	50	HDBA	
Cc1cccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	899646	JWVDBYIIMFVGMB-UHFFFAOYSA-N	419.459	1.815	5	50	HDBA	
COc1cc(Nc2c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)[n+]2[O-])cc(OC)c1	8682807	JEKSJXRXDAOGRT-UHFFFAOYSA-N	415.362	1.946	5	50	HDBA	
Cc1oc(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)n2cc([N+](=O)[O-])cn2)cc1CO	2325828387	FZQWFQPTODDRSW-KBPBESRZSA-N	417.422	1.046	5	50	HDBA	
Cn1nc(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2c1=O	4983151	HYBIXJUQHPPHJD-UHFFFAOYSA-N	407.430	1.733	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	899507	JMCHVTCVHGJFPB-UHFFFAOYSA-N	411.461	1.290	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31	239235332	VTXMQJNWQJPTFV-IIIIREBLSA-N	424.409	1.762	5	50	HDBA	
NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)cc1	2842864	JJCQQJFPIDFRJN-UHFFFAOYSA-N	410.433	1.134	5	50	HDBA	
COCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	229903377	CKRMRMHVHBBTKU-KXBFYZLASA-N	402.407	1.221	5	50	HDBA	
CCOC(=O)C1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)CC1	16213782	KYVMEPZJBAGZMG-UHFFFAOYSA-N	413.452	1.163	5	50	HDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1	238997391	AFLSSLASNAFAIK-JROKTQBJSA-N	410.382	1.374	5	50	HDBA	
CCN1CCN(CCNS(=O)(=O)c2cc(Br)cc([N+](=O)[O-])c2)CC1	170603648	YGMYUAGATAJQHU-UHFFFAOYSA-N	421.317	1.273	5	50	HDBA	
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	16213316	GGYAXPJADJBMLE-CABCVRRESA-N	423.473	1.216	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccco3)CC2)cc1	1054294	SGDUHYGYHKQUQJ-UHFFFAOYSA-N	410.477	1.569	5	50	HDBA	
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	100627269	KUXUMXOWEWRGNF-CQSZACIVSA-N	419.441	1.679	5	50	HDBA	
O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	103725045	NAERQYNXVOZYOS-RAUXBKROSA-N	410.474	1.520	5	50	HDBA	
CCOC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@H]12	842065	LUFWWQPZKNTNBC-MGPUTAFESA-N	408.370	1.502	5	50	HDBA	
Cn1c(CN2CCN(S(=O)(=O)c3ccccc3)CC2)nc2cc([N+](=O)[O-])ccc21	13540030	QMNCZMCFJUKLNK-UHFFFAOYSA-N	415.475	1.988	5	50	HDBA	
O=C(O)COc1ccc(Br)cc1/C=C\c1nc(O)c([N+](=O)[O-])c(=O)[nH]1	16361685	OAXNZKDPBZMNPR-RJRFIUFISA-N	412.152	1.780	5	50	HDBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CCN([C@@H](CO)c2ccc(Br)cc2)CC1	1875252719	AMCUKRAOCQQKLI-AWEZNQCLSA-N	424.255	1.572	5	50	HDBA	
CNc1nccc(C(=O)NCc2cccc(OCCN3CCOCC3)c2)c1[N+](=O)[O-]	408517918	PGMMHJHVFWIDMV-UHFFFAOYSA-N	415.450	1.673	5	50	HDBA	
COC(=O)CC1=C(C(=O)OC)[C@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N1	19788384	NAQXGRLNPLSGNV-MRXNPFEDSA-N	404.375	1.719	5	50	HDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H](c2cc(N3CCNCC3)n[nH]2)C1	725372995	GUWQAGOTRXBHGT-CQSZACIVSA-N	420.495	1.296	5	50	HDBA	
O=c1c2cc3c(=O)n(Cc4cccnc4)ccc3nc2ccn1CCN1CCOCC1	36354339	JQTVRKSOAFLTCS-UHFFFAOYSA-N	417.469	1.487	5	50	HDBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NC[C@H]1CN2CCN1CC2	301796954	UOTSTSIZGVYACM-HNNXBMFYSA-N	409.512	1.181	5	50	HDBA	
COCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	4851493	UQDGTGQHAOWEJN-UHFFFAOYSA-N	407.448	1.943	5	50	HDBA	
COc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	899637	JOHSDJCPNUVHSW-UHFFFAOYSA-N	405.432	1.750	5	50	HDBA	
O=C(CN1CCN(S(=O)(=O)c2cccs2)CC1)Nc1cccc([N+](=O)[O-])c1	35395497	QTOOVHOFWFFWPO-UHFFFAOYSA-N	410.477	1.601	5	50	HDBA	
COc1cc2nc(CN3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)oc(=O)c2cc1OC	1139565	GZRSCVMIOSFAQU-UHFFFAOYSA-N	411.326	1.910	5	50	HDBA	
COCCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21	2107098	YSOQQNPDRCVUCA-UHFFFAOYSA-N	418.457	1.490	5	50	HDBA	
CC(=O)[C@@]1(I)C(=O)C(=O)N(c2cc(C)ccc2[N+](=O)[O-])C1=O	25573267	ZPMLPWRPURVNQY-CYBMUJFWSA-N	416.127	1.108	5	50	HDBA	
C[C@@H]1SC(NC(=O)CCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)=NC1=O	13839412	BGFMWHSJOBLZGY-VIFPVBQESA-N	404.404	1.495	5	50	HDBA	
COc1cc(/C=C(/NC(=O)c2ccccc2)C(=O)NCCO)c([N+](=O)[O-])cc1OC	16676091	NEVZMOXOPLRTIA-XNTDXEJSSA-N	415.402	1.491	5	50	HDBA	
C[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)C[C@H](C)O1	1115971	CHGMRRNXCGYNLZ-KBPBESRZSA-N	411.480	1.631	5	50	HDBA	
C[C@@]1(c2ccc(S(N)(=O)=O)cc2)NC(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	253426820	RPFIMLDAWHCJTD-KRWDZBQOSA-N	404.404	1.209	5	50	HDBA	
O=C(CN1N=N[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21)Nc1cccc(F)c1	18166044	JPEASLOFECOCME-JKSUJKDBSA-N	412.337	1.666	5	50	HDBA	
COc1ccc(CCNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)cc1OC	12371316	JJQCCRYTGYMBLX-UHFFFAOYSA-N	402.367	1.212	5	50	HDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	100535161	YOAVCFSGOGJDHZ-NXKWAJLKSA-N	418.789	1.781	5	50	HDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O	239309973	HZHOIYBSOJAKDR-UUBMZHIOSA-N	411.414	1.985	5	50	HDBA	
NS(=O)(=O)c1ccc(ON2C(=O)c3cccc4cccc(c34)C2=O)c([N+](=O)[O-])c1	16667951	ZHDCESQPWCRCDZ-UHFFFAOYSA-N	413.367	1.985	5	50	HDBA	
Cc1nc(-c2cccc(NC(=O)CNS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)n[nH]1	253419247	DOKHXQPQGUKXKQ-UHFFFAOYSA-N	416.419	1.605	5	50	HDBA	
Cc1ccc([N+](=O)[O-])cc1Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1	1128867	KEBJWSTXNPEXCK-UHFFFAOYSA-N	401.427	1.505	5	50	HDBA	
O=c1c2cc3c(=O)n(Cc4ccccn4)ccc3nc2ccn1CCN1CCOCC1	36125599	PTQKYZJINMLCGR-UHFFFAOYSA-N	417.469	1.487	5	50	HDBA	
CN1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	19800438	WHODPIXJPGWZIA-UHFFFAOYSA-N	418.475	1.564	5	50	HDBA	
CCN(CC)S(=O)(=O)c1ccc(N2CC[C@@H](C)S(=O)(=O)CC2)c([N+](=O)[O-])c1	170613567	HNCRDZNTCRBVOO-CYBMUJFWSA-N	419.525	1.639	5	50	HDBA	
Cc1ccc(S(=O)(=O)NCCNC(=O)C(Cl)(Cl)Cl)cc1[N+](=O)[O-]	334160472	FMGJCWWUYJLSOY-UHFFFAOYSA-N	404.659	1.668	5	50	HDBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1	766255131	NNXRMQXDKWNTQV-RHSMWYFYSA-N	415.450	1.856	5	50	HDBA	
NS(=O)(=O)c1ccc(O)c(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1	6142500	OTSDFLSAVWRXKG-UHFFFAOYSA-N	413.367	1.902	5	50	HDBA	
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	100622887	HVLCDFRPZXBGMB-HNNXBMFYSA-N	407.474	1.980	5	50	HDBA	
COCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21	2250154	MYNSGLRSVUMFSX-UHFFFAOYSA-N	404.430	1.100	5	50	HDBA	
Cc1ccc(NC(=O)CSc2nnc(CN3CCOCC3)n2C)cc1[N+](=O)[O-]	19799038	IDMPWXIEBCPKCG-UHFFFAOYSA-N	406.468	1.595	5	50	HDBA	
C[C@@H](C(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O)N1Cc2ccccc2C1=O	1772492927	KNMYYZSWXGJTFS-LZWOXQAQSA-N	422.441	1.747	5	50	HDBA	
COc1ccc(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)cc1	3624454	IAKCRAUBARKABZ-UHFFFAOYSA-N	404.412	1.103	5	50	HDBA	
CCCC(=O)N1CCC[C@@H]1C(=O)NS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCC	253425657	VNFZBDDWUDYTAP-CQSZACIVSA-N	412.468	1.623	5	50	HDBA	
NS(=O)(=O)[C@@H]1CCCN(C(=O)c2cccc3c(=O)c4cccc(F)c4[nH]c23)C1	444088258	NJUOCBVTVDXQFY-LLVKDONJSA-N	403.435	1.714	5	50	HDBA	
N=c1ccc2cc3ccc(N)cc3n(CCCC(=O)NCCN3C(=O)C=CC3=O)c-2c1	43277621	XWGGPJXTPOPZJU-UHFFFAOYSA-N	417.469	1.629	5	50	HDBA	in-vitro
O=C([C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)N1CCOCC1	752135	TVUZQZKYWYADOX-SFHVURJKSA-N	409.398	1.661	5	50	HDBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C1=O	230038914	XKVUAVZNYHLHFR-HNAYVOBHSA-N	402.407	1.173	5	50	HDBA	
C[N+]1([O-])CCN(C(=O)O[C@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1	6068249	IPTIKKTXLHVRKN-INIZCTEOSA-N	404.814	1.581	5	50	HDBA	world
Cc1c(NC(=O)c2c(NC(=O)CCn3ncc([N+](=O)[O-])c3C)cnn2C)cnn1C	2805157	BVMDRZXTVGWONI-UHFFFAOYSA-N	415.414	1.156	5	50	HDBA	
COc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1I	9234745	LCOURUHIELWJIH-DUXPYHPUSA-N	415.143	1.755	5	50	HDBA	
Cc1ccc(C(=O)NCC(=O)NCC(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3004277	IPSJJARAPXWWOF-UHFFFAOYSA-N	413.386	1.175	5	50	HDBA	
O=C(NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N[C@H]1CCc2c(O)cccc21	465983525	PMVHEHOJEAWSTA-AWEZNQCLSA-N	420.447	1.565	5	50	HDBA	
O=C(c1cc([N+](=O)[O-])ccc1O)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2O)CC1	43190938	OWYHHBMFEBPZGB-UHFFFAOYSA-N	416.346	1.512	5	50	HDBA	
CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])c(O)ccc3nc2-1	5422755	DTZABKRGTMUGCV-FQEVSTJZSA-N	409.354	1.693	5	50	HDBA	
COc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cc1[N+](=O)[O-]	1055116	HYJGGICGKMUBRM-UHFFFAOYSA-N	423.422	1.889	5	50	HDBA	
COCCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3ccccc3nc21	100627941	RTZAPIUQWNTXDM-UHFFFAOYSA-N	417.469	1.748	5	50	HDBA	
C[N+]1(C[C@H](O)COc2ccccc2)CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	856021	OPSYHBROXNVHJH-IBGZPJMESA-N	400.455	1.937	5	50	HDBA	
C[C@](O)(CNC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	34035806	YCNCRLKXSLARFT-NSHDSACASA-N	403.235	1.982	5	50	HDBA	in-man
NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12	247717069	OEFLGVMKOKDVDW-BDXSIMOUSA-N	404.382	1.596	5	50	HDBA	
O=C(O)CNC(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	9444556	KRQWJIPJFMMVMN-UHFFFAOYSA-N	402.388	1.536	5	50	HDBA	
C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	239164839	MZVAJECEFMUBTO-LABABHMHSA-N	424.409	1.762	5	50	HDBA	
O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	239254672	YQEBBBBNLBCPPY-HXXCKNJQSA-N	424.409	1.764	5	50	HDBA	
O=C(c1cccc([N+](=O)[O-])c1)N1CCC[C@@H](c2n[nH]cc2C(=O)N2CCOCC2)C1	328602297	AYPRUPOZHGNBGH-OAHLLOKOSA-N	413.434	1.810	5	50	HDBA	
Cn1c(CNC(=O)c2ccco2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	9305378	DKAILWLFDXIBHV-UHFFFAOYSA-N	416.419	1.977	5	50	HDBA	
COCCn1c(=N)c(C(=O)NCc2ccco2)cc2c(=O)n3cccc(C)c3nc21	100627907	WAFNFDBBIUDSAK-UHFFFAOYSA-N	407.430	1.606	5	50	HDBA	
COC(=O)c1cc2c(NCCS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ncnc2n1C	1875341277	NKMYVCRIRQLAAT-UHFFFAOYSA-N	419.419	1.549	5	50	HDBA	
CN1CCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)CC1	19812508	JQNXREKAPVDGPB-UHFFFAOYSA-N	418.475	1.564	5	50	HDBA	
O=C(CN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	100535164	YOAVCFSGOGJDHZ-BHWMQLMCSA-N	418.789	1.781	5	50	HDBA	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@H]32)C(=O)N1c1ccccc1	230036476	OGNGFNUEJLXBRZ-UWJYYQICSA-N	422.397	1.626	5	50	HDBA	
O=C([C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1)N1CCc2ncccc21	770232035	VQKWNYNPEGKGCS-CQSZACIVSA-N	416.459	1.980	5	50	HDBA	
O=C(CN1C(=O)[C@H]2CC=CC[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	17986904	XIVLDVZEKXJNAG-TXEJJXNPSA-N	406.778	1.925	5	50	HDBA	
Cn1cc([C@H]2CS(=O)(=O)CCN2Cc2coc(-c3ccc([N+](=O)[O-])cc3)n2)cn1	225667035	OUHRIFAUDXBBMX-QGZVFWFLSA-N	417.447	1.955	5	50	HDBA	
COC(=O)c1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	2858514	GCMSOJFDUBBPII-UHFFFAOYSA-N	407.404	1.786	5	50	HDBA	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(N)=O)N1C=Cc3ccccc3[C@@H]21	248072321	AEDRUXHQYQPUDY-ZSYWTGECSA-N	418.409	1.904	5	50	HDBA	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCN2CCOCC2)c1=N	788691	KAZKZZWKFPMMDM-UHFFFAOYSA-N	411.462	1.028	5	50	HDBA	
CCOC(=O)c1c2n(c3cc(N4CCN(C)CC4)c([N+](=O)[O-])cc3c1=O)CCC2	22779636	WPZXNHDGZQWDPF-UHFFFAOYSA-N	400.435	1.784	5	50	HDBA	
O=C(Nc1cc(SC[C@H](O)CO)cc([N+](=O)[O-])c1)c1ccc(-n2cnnn2)cc1	2731647	RHEZSWCWNXHEPA-OAHLLOKOSA-N	416.419	1.268	5	50	HDBA	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N(CCO)CCO	2895330	XGTHDYKKEOTCIO-UHFFFAOYSA-N	423.447	1.131	5	50	HDBA	
O=[N+]([O-])c1ccc(N[C@@H](CO)Cc2ccccn2)c(S(=O)(=O)N2CCCC2)c1	170610821	UNEIFYMYVZWGCB-OAHLLOKOSA-N	406.464	1.790	5	50	HDBA	
CC1(C)OC(=O)C(C(c2ccccc2[N+](=O)[O-])C2C(=O)OC(C)(C)OC2=O)C(=O)O1	3020390	IDCHXZPNWCYOTM-UHFFFAOYSA-N	421.358	1.583	5	50	HDBA	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(CCCO)c3nc12	100630560	QZPGWTDYLYMMED-UHFFFAOYSA-N	407.430	1.342	5	50	HDBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)Nc1ccc(N2CCOCC2)nc1	170609802	VXJIEWFSDBREKR-UHFFFAOYSA-N	401.379	1.412	5	50	HDBA	
CCOC(=O)c1c(NC(=O)c2c(C)[nH]n3c([N+](=O)[O-])c(C)n[n+]23)sc2c1CCC2	12413889	NUYBQJCATJCVEP-UHFFFAOYSA-O	419.443	1.752	5	50	HDBA	
Cn1c(=O)cc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21	1857526235	DOALCXLUTCWFFQ-UONOGXRCSA-N	420.425	1.868	5	50	HDBA	
COC(=O)C(C(=O)OC)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-]	3883505	OIBQIPRBFBRZOD-UHFFFAOYSA-N	400.409	1.199	5	50	HDBA	
O=C(CN1CCN(S(=O)(=O)c2ccccc2)CC1)Nc1cccc([N+](=O)[O-])c1	36259072	SOBRBTWRZBQLQA-UHFFFAOYSA-N	404.448	1.540	5	50	HDBA	
CN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	253429415	HDDMFRRWJDXSMB-PVAVHDDUSA-N	411.455	1.247	5	50	HDBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1	766255137	NNXRMQXDKWNTQV-YOEHRIQHSA-N	415.450	1.856	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1[C@@H]2c3cccc(Br)c3C[C@H]21	1302129839	KOCMPZCMGXOTHU-SSKCKEOISA-N	404.220	1.974	5	50	HDBA	
COCCCn1c(=N)c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc21	100425698	UPLXHYOHPJCVMM-AWEZNQCLSA-N	411.462	1.074	5	50	HDBA	aggregator
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	12428806	HZHLYIAIWVWMDB-UHFFFAOYSA-N	421.325	1.024	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@H]1[C@@H]2c3cc(Br)ccc3C[C@H]21	1302879251	QUDKNFSCBPJVRG-CSMYWGQOSA-N	404.220	1.974	5	50	HDBA	
O=C(Nc1c[nH]c(=O)[nH]c1=O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O	8935198	KDAPCSXKFGXASU-UHFFFAOYSA-N	421.325	1.024	5	50	HDBA	
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	100622890	HVLCDFRPZXBGMB-OAHLLOKOSA-N	407.474	1.980	5	50	HDBA	
Cc1nc2sc3c(c2c(=O)n1NC(=O)c1nn(C)cc1[N+](=O)[O-])CC[C@H](C)C3	2778377	NIXWPIGNHJKNRK-QMMMGPOBSA-N	402.436	1.917	5	50	HDBA	
CC(=O)[C@]1(I)C(=O)C(=O)N(c2cc(C)ccc2[N+](=O)[O-])C1=O	25573261	ZPMLPWRPURVNQY-ZDUSSCGKSA-N	416.127	1.108	5	50	HDBA	
CN(C)[C@@H]1N(C(=O)c2cccc([N+](=O)[O-])c2)N=C2c3ccccc3S(=O)(=O)N21	19929873	CBNIELXRDWTVDI-QGZVFWFLSA-N	401.404	1.262	5	50	HDBA	
Cc1cccc([N+](=O)[O-])c1C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1	239782562	CPEFAVUFKXQQRZ-UHFFFAOYSA-N	419.459	1.854	5	50	HDBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(N)=O	248102759	KEKUGUJXCCMEHX-XGXHKWSGSA-N	418.409	1.778	5	50	HDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	239310228	IGEOAADQSZCGKZ-AQPSJQEXSA-N	410.382	1.374	5	50	HDBA	
COCCCn1c(=N)c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc21	100425703	UPLXHYOHPJCVMM-CQSZACIVSA-N	411.462	1.074	5	50	HDBA	aggregator
CC1=NN(C(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)[C@@](O)(C(F)(F)F)C1	1012155	OMPDVCAPPCFTTH-JTQLQIEISA-N	414.138	1.721	5	50	HDBA	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCOCCO2	6073741	MJNATMZXGBNIER-UHFFFAOYSA-N	414.411	1.391	5	50	HDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C(N)=O)(N2CCCCC2)CC1	4741255	OESCWOVHKMDAJI-UHFFFAOYSA-N	419.482	1.348	5	50	HDBA	
COc1cc(CNC(=O)c2nc(Cn3ccc([N+](=O)[O-])n3)no2)cc(OC)c1OC	12418757	VWJZOMRDKCMQBC-UHFFFAOYSA-N	418.366	1.178	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	19853891	RWHXEFMQPUXCPY-UHFFFAOYSA-N	405.432	1.830	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NCc3ccccc3)CC2)cc1	1055337	WAIYJOBKVVGFCF-UHFFFAOYSA-N	420.516	1.976	5	50	HDBA	
COc1ccc(CCN2C(=O)C[C@@H](NNc3ccc([N+](=O)[O-])cc3)C2=O)cc1OC	101128307	BFVHIOXEYDXTRG-MRXNPFEDSA-N	414.418	1.899	5	50	HDBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	4622439	XKVUAVZNYHLHFR-DNVCBOLYSA-N	402.407	1.173	5	50	HDBA	
C=CC(=O)N1CCC[C@@H](C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)C1	2325889224	GMLQISRYIJNWMY-MRXNPFEDSA-N	400.435	1.304	5	50	HDBA	
CCn1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C(=O)NCc2ccco2)n1	2793824	CIVGSPWQFYJGPD-UHFFFAOYSA-N	415.410	1.868	5	50	HDBA	
O=c1c2cc3c(=O)n(-c4ccncc4)ccc3nc2ccn1CCCN1CCOCC1	38829213	PNSYYQTUTVRMMV-UHFFFAOYSA-N	417.469	1.818	5	50	HDBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N(C[C@H](O)CN2CCOCC2)c2ccccc2)cc1	22147733	ZYYIJFFDPDFXDI-GOSISDBHSA-N	421.475	1.483	5	50	HDBA	
CN1C(=O)/C(=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)c2ccccc21	2816098	HCQZQEPFNUSOTM-MSUUIHNZSA-N	421.438	1.048	5	50	HDBA	
CCCn1c(SCC(=O)c2ccc([N+](=O)[O-])cc2)nc2c1c(=O)[nH]c(=O)n2C	13230562	SXBREGGDYKKJBI-UHFFFAOYSA-N	403.420	1.717	5	50	HDBA	
O=C(CN1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)N1CCOCC1	55202023	VLVAXPMMXSENEM-UHFFFAOYSA-N	417.510	1.566	5	50	HDBA	
C[C@H](CNC(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1O)CN1CCOCC1	241121809	JEBDQYQPFABFEH-GFCCVEGCSA-N	423.857	1.838	5	50	HDBA	
CCN(CC)S(=O)(=O)c1ccc(C(=O)OCCn2c([N+](=O)[O-])cnc2C)cc1	1427788	CWPITTPXQHRKFF-UHFFFAOYSA-N	410.452	1.987	5	50	HDBA	
CC(=O)Nc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1	1146196	DDAHCRBRLUXNCU-UHFFFAOYSA-N	406.420	1.958	5	50	HDBA	
Cn1cnc([N+](=O)[O-])c1Oc1cccc(NC(=O)c2ccc(-c3nn[nH]n3)cn2)c1	1875353119	XCLSLEZFJMHOEM-UHFFFAOYSA-N	407.350	1.948	5	50	HDBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCOC[C@@H]32)C1=O	4622440	XKVUAVZNYHLHFR-BEFAXECRSA-N	402.407	1.173	5	50	HDBA	
COc1cc([N+](=O)[O-])cc2cc(C(=O)OCCn3c([N+](=O)[O-])cnc3C)c(=O)oc12	10271994	FDLSVLZLGGDBRA-UHFFFAOYSA-N	418.318	1.980	5	50	HDBA	
CCOC(=O)N1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	4952825	RRMDZPCQVYLAJB-UHFFFAOYSA-N	418.450	1.748	5	50	HDBA	
CC(C)N1CCC(NC(=O)COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)CC1	744576415	CZXOIKNKSJNGRD-UHFFFAOYSA-N	407.423	1.512	5	50	HDBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H](c2cc(N3CCNCC3)n[nH]2)C1	725372994	GUWQAGOTRXBHGT-AWEZNQCLSA-N	420.495	1.296	5	50	HDBA	
Cc1c(C)[n+]([O-])c([C@@H](c2ccc([N+](=O)[O-])cc2)C2C(=O)OC(C)(C)OC2=O)n1C	263588571	VVSLERAHUBESRU-AWEZNQCLSA-N	403.391	1.768	5	50	HDBA	
NS(=O)(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	2751053	YHDCLUNHEPPYDO-XCVCLJGOSA-N	405.388	1.437	5	50	HDBA	
CCOC(=O)C1=NN[C@@]2(c3cccc([N+](=O)[O-])c3)C(=O)N(c3ccccc3)C(=O)[C@@H]12	4719443	LUFWWQPZKNTNBC-FOIQADDNSA-N	408.370	1.502	5	50	HDBA	
CCOC(=O)C1=C(CN2CCOCC2)N(C)C(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	19933297	VGFSOSARHVRUIF-QGZVFWFLSA-N	404.423	1.440	5	50	HDBA	
Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(CCCO)c3nc12	100678343	WEGITTAJHDOQJH-UHFFFAOYSA-N	417.469	1.749	5	50	HDBA	
CC(C)Nc1nc(NCCO)nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1	225815757	ZBILMONBNILPFU-UHFFFAOYSA-N	402.459	1.331	5	50	HDBA	
COc1ccc(Cn2c(=N)c(S(C)(=O)=O)cc3c(=O)n4cccc(C)c4nc32)cc1	1775976899	RDLSDKIUGQTZFP-UHFFFAOYSA-N	424.482	1.897	5	50	HDBA	
O=C(CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	239254673	YQEBBBBNLBCPPY-PSJNWGMYSA-N	424.409	1.764	5	50	HDBA	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)Cc4ccccc4)CC3)cc21	4758720	ZSMWXKRBEHPGCT-UHFFFAOYSA-N	409.446	1.677	5	50	HDBA	
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	137125809	GGYAXPJADJBMLE-HUUCEWRRSA-N	423.473	1.216	5	50	HDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O	239309971	HZHOIYBSOJAKDR-DPXVYKJRSA-N	411.414	1.985	5	50	HDBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)c2ccccc2S1(=O)=O	10188050	INTVCRZAZHLARW-UHFFFAOYSA-N	405.388	1.777	5	50	HDBA	
CC(=O)Nc1ccc(NC(=O)COc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	2685330	BMSLFPTWTXDEQN-UHFFFAOYSA-N	407.404	1.974	5	50	HDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	101670336	YOAVCFSGOGJDHZ-BNBDDXAPSA-N	418.789	1.781	5	50	HDBA	
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](C)O[C@H](C)[C@@H]32)C1=O	248018673	UCPQMLNEVWWEOG-VIIZEREPSA-N	416.434	1.606	5	50	HDBA	
O=C(CN1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1	239310230	IGEOAADQSZCGKZ-HSGSIZQLSA-N	410.382	1.374	5	50	HDBA	
C[C@H](OC(=O)CCN1C(=O)[C@@H]2CC=CC[C@H]2C1=O)C(=O)Nc1ccc([N+](=O)[O-])cc1	241965491	UTHAJJWEHUCCEH-APHBMKBZSA-N	415.402	1.806	5	50	HDBA	
O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc(S(=O)(=O)N2CCCC2)c1	2708985	ZUVSBFZTIJIOCR-SFHVURJKSA-N	419.459	1.843	5	50	HDBA	
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	100583590	YSKGUEJFZJXOGS-OAHLLOKOSA-N	419.441	1.831	5	50	HDBA	
COc1cccc(NC(=O)CSc2nnc(Cn3cnc([N+](=O)[O-])n3)n2C)c1	3624452	DNTBXRZEHKGRKC-UHFFFAOYSA-N	404.412	1.103	5	50	HDBA	
COc1ccc(CN(C)S(=O)(=O)c2ccc3nc(O)nc(O)c3c2)cc1[N+](=O)[O-]	1875252931	YAXWRTOXPDBXMU-UHFFFAOYSA-N	420.403	1.779	5	50	HDBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	672414	YYGUCAXDLSWSJF-UHFFFAOYSA-N	421.431	1.633	5	50	HDBA	
Cc1nn(-c2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])c(=O)c2ccccc12	19907439	HTPLFYDCUHOOBC-UHFFFAOYSA-N	409.446	1.717	5	50	HDBA	
O=C(c1n[nH]cc1[N+](=O)[O-])N1CCC(O)(c2scnc2Br)CC1	225489411	QVAJUEQJQIVQPV-UHFFFAOYSA-N	402.230	1.661	5	50	HDBA	
C[N+]1(CCS(=O)(=O)CCS(=O)(=O)CC[N+]2(C)CCCCC2)CCCCC1	4831635	GAHJYLLCMJYYQC-UHFFFAOYSA-N	410.646	1.077	5	50	HDBA	
COc1ccc([C@H](O)[C@H](NNC(=N)N)c2nc3ccc([N+](=O)[O-])cc3nc2O)cc1	5399293	PDLMBQBQNCUTNU-ZBFHGGJFSA-N	413.394	1.015	5	50	HDBA	
O=C(CN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31)OCC(=O)c1cccc([N+](=O)[O-])c1	239310234	IGEOAADQSZCGKZ-PAUSBUDFSA-N	410.382	1.374	5	50	HDBA	
O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1	4749953	KBHGOPKALZAJMF-UHFFFAOYSA-N	405.432	1.797	5	50	HDBA	
COc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	1178872	UFYVWQWWCQBMHE-UHFFFAOYSA-N	405.432	1.750	5	50	HDBA	
CC(C)(C)[C@@H]1CCN(S(=O)(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)C[C@H]1O	240912277	IXCJXXULVUITFR-DGCLKSJQSA-N	400.453	1.784	5	50	HDBA	
O=C(Cn1cc([N+](=O)[O-])c(C(F)(F)F)n1)NC(=O)Nc1ccc2c(c1)OCO2	170596267	DBFZMPLRXWQFSP-UHFFFAOYSA-N	401.257	1.887	5	50	HDBA	
O=C1COc2ccc(C(=O)N3C[C@@H]4C[C@H](C3)c3ccc([N+](=O)[O-])c(=O)n3C4)cc2N1	886024561	CEVJHTXXORXNQT-WCQYABFASA-N	410.386	1.347	5	50	HDBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N[C@@H]1[C@H]2Cc3c(Br)cccc3[C@@H]21	1302129838	KOCMPZCMGXOTHU-MZPVMMEZSA-N	404.220	1.974	5	50	HDBA	
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	100627265	KUXUMXOWEWRGNF-AWEZNQCLSA-N	419.441	1.679	5	50	HDBA	
CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)o2)cc1	2762619	VCVOBUNPUCUGSF-UHFFFAOYSA-N	419.419	1.983	5	50	HDBA	
CN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O	253429422	HDDMFRRWJDXSMB-XIRDDKMYSA-N	411.455	1.247	5	50	HDBA	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1ccc(N2CCOCC2)c2nonc12	2783940	DNQOSXHVFQNNQL-NSHDSACASA-N	401.383	1.439	5	50	HDBA	
O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)c1	17088861	KBXKZKRGALLTCI-UHFFFAOYSA-N	411.461	1.290	5	50	HDBA	
C[C@@](O)(CNC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	34035805	YCNCRLKXSLARFT-LLVKDONJSA-N	403.235	1.982	5	50	HDBA	in-man
COCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCOC)c1=N	100627992	JAWBYQGECCPVAX-UHFFFAOYSA-N	413.478	1.240	5	50	HDBA	
O=c1c2cc3c(=O)n(Cc4ccco4)ccc3nc2ccn1CCN1CCOCC1	30903283	AILKNHAISHSQIJ-UHFFFAOYSA-N	406.442	1.685	5	50	HDBA	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)c4ccc(F)cc4)CC3)cc21	4625701	DSPASELJBYDIGV-UHFFFAOYSA-N	413.409	1.887	5	50	HDBA