smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
C[N+](C)(CC[N+](C)(C)Cc1ccccc1)Cc1ccccc1	1473427	MBHULKQWRVEFAN-UHFFFAOYSA-N	298.474	3.540	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1Cl	4603921	MPZAPMUMFHJTTD-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	290680	OUMFFBVIGPAQHW-MDZDMXLPSA-N	282.299	3.555	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	4005747	OSISACRLHYKKJS-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=[N+]([O-])c1c(Cl)ccc(OC(F)F)c1Cl	263624160	NZECEPAREZXBAK-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
CC[C@H]([C@@H](Nc1ccccc1)c1ccccc1)[N+](=O)[O-]	187280	WRADNUIDLCNSHF-CVEARBPZSA-N	270.332	3.895	5	50	CHBA	
CCOCCn1c2ccccc2c2nc3ccccc3nc21	2463845	SLOFPNVJLRSJNK-UHFFFAOYSA-N	291.354	3.774	5	50	CHBA	
CC(C)CCC[C@@H](C)NC(=O)c1ccccc1[N+](=O)[O-]	2990717	ZTHUBOYHSSYYIG-GFCCVEGCSA-N	278.352	3.539	5	50	CHBA	
C[n+]1c(/C=C\c2cccc([N+](=O)[O-])c2)ccc2ccccc21	17145612	DBCCLIWPDKHQJK-LUAWRHEFSA-N	291.330	3.743	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)cc(OC(F)F)c1Cl	263623775	KPTGECZRRNCBIJ-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2cc(F)ccc2F)cc1F	675070236	STDJYGQUWYDNRI-UHFFFAOYSA-N	253.179	3.679	5	50	CHBA	
CSc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1	446184	IZKKOBYVBDQOBT-UHFFFAOYSA-N	288.328	3.569	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1	4036908	ZNQVFAOSZKQCHC-UHFFFAOYSA-N	282.255	3.593	5	50	CHBA	
CC(C)(C)OC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	95705271	GMZUPMHKXNVDNK-UHFFFAOYSA-N	295.320	3.552	5	50	CHBA	
CC(C)C(NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(C)C	452606	GAFPPKPUVHJLPY-UHFFFAOYSA-N	298.770	3.659	5	50	CHBA	
Cc1cc2c(cc1C)[C@H](c1ccccc1[N+](=O)[O-])CC(=O)N2	107521	UZARBTZAPXMBJC-ZDUSSCGKSA-N	296.326	3.686	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1Cc1cc(F)ccc1F	315107	IRHDQYWBJNISMC-UHFFFAOYSA-N	263.243	3.772	5	50	CHBA	
Cc1ccc2oc(-c3ccc([N+](=O)[O-])cc3)nc2c1	435046	OTMXSZCCSFYOKJ-UHFFFAOYSA-N	254.245	3.711	5	50	CHBA	
C[N+](C)(C)CCCCCNCC12CC3CC(CC(C3)C1)C2	3995975	IWYZMMIPAJDJBN-UHFFFAOYSA-N	293.519	3.669	5	50	CHBA	in-vitro
O=Cc1ccc(Oc2ccccc2Cl)c([N+](=O)[O-])c1	168510	ONZBILNXJCMQQB-UHFFFAOYSA-N	277.663	3.853	5	50	CHBA	
Cc1ccc(-[n+]2c3ccccc3nc3ccccc32)cc1	4990973	QSAVSCNYIJAPEN-UHFFFAOYSA-N	271.343	3.973	5	50	CHBA	
CCCCOc1ccc(OCCCC)c([N+](=O)[O-])c1	1720164	UVLGMZCLSQBSPZ-UHFFFAOYSA-N	267.325	3.953	5	50	CHBA	
Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	102936	HZUYHCXRFOCYRF-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
CC(C)c1ccccc1OC(=O)c1ccccc1[N+](=O)[O-]	131391	YDIMBZWHRYYRNB-UHFFFAOYSA-N	285.299	3.937	5	50	CHBA	
O=C(O)c1cc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12	2383719	PLSLMNLMCJRXHN-UHFFFAOYSA-N	294.266	3.508	5	50	CHBA	
O=[N+]([O-])c1cc(NCc2ccc(O)cc2)ccc1Cl	2156183	POCLXGTTWPFNMG-UHFFFAOYSA-N	278.695	3.566	5	50	CHBA	
Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1C	2824816	TXNHFIHLHABWPM-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
C[N+](C)([O-])CCOc1cc(Cl)c(Cl)cc1Cl	96026816	IYCOKSSCKSPNCW-UHFFFAOYSA-N	284.570	3.600	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(Cl)c(OC(F)F)c1	263624083	NFSFAXQOUQTDAN-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
CC[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	4833991	JRUUGAOJLLAWEQ-OAHLLOKOSA-N	284.315	3.727	5	50	CHBA	
Cc1ccc([N+](=O)[O-])c(OCCCN2CCCCCC2)c1	4985847	JRJQQMATZVVWFE-UHFFFAOYSA-N	292.379	3.548	5	50	CHBA	
O=[N+]([O-])c1cnc2c(C(F)(F)F)cccc2c1Cl	225816364	CWGIRNOYXHBCRX-UHFFFAOYSA-N	276.601	3.815	5	50	CHBA	
O=[N+]([O-])c1ccc(CSc2nc3ccccc3o2)o1	6864993	YSUDWVHBJSQESR-UHFFFAOYSA-N	276.273	3.621	5	50	CHBA	
C/C(O)=C(/C(=O)Nc1ccccc1[N+](=O)[O-])c1ccccc1	101152837	LNMALLAZHLMTPH-PTNGSMBKSA-N	298.298	3.523	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccco1	4158473	RLLQMCBJNDRXGR-UHFFFAOYSA-N	286.209	3.819	5	50	CHBA	in-vitro
CCc1cc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cs1	2738017	ZJTSWABLBUNFFG-UHFFFAOYSA-N	294.307	3.610	5	50	CHBA	
Cc1cccc(C)c1OCc1cccc([N+](=O)[O-])c1	471499	CIDQLLMOSVAJBJ-UHFFFAOYSA-N	257.289	3.791	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	4314544	BCTFYSXVHAFEGT-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=C(O)c1cc2c(ccc3ccccc32)nc1Cl	390834922	RTPOEGNAFMJHCF-UHFFFAOYSA-N	257.676	3.740	5	50	CHBA	
Cc1ccccc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	102850	FWDOFSFDOPLNJD-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CC[C@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]	215857	POPOFVNWGIWNGF-HEWZJLJBSA-N	274.364	3.873	5	50	CHBA	
Cc1cccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)c1C	446278	WSMNQYJOQBAUJX-UHFFFAOYSA-N	298.342	3.897	5	50	CHBA	
O=C(CC1CCCCC1)Nc1cccc([N+](=O)[O-])c1	858539	UBFHMZTUJNXWSX-UHFFFAOYSA-N	262.309	3.504	5	50	CHBA	
C[C@@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1	301489934	AEUFYWNRWDSALE-SECBINFHSA-N	286.278	3.575	5	50	CHBA	
O=C1O[C@H](c2ccc([N+](=O)[O-])cc2)Sc2ccccc21	86984	JGPYSTGKMNQEJQ-AWEZNQCLSA-N	287.296	3.556	5	50	CHBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccs1	247073	PVZLIOSIGJZZJX-UHFFFAOYSA-N	282.708	3.562	5	50	CHBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1Cl	4997257	RHTLQTMFYJVKLY-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=C(Nc1cccc2c1CCCC2)c1cccc([N+](=O)[O-])c1	210711	IARGGXKTSAVTCK-UHFFFAOYSA-N	296.326	3.726	5	50	CHBA	
Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-]	437295	CLIXURQNLHLABE-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=C(CCC1CCCC1)Nc1ccc([N+](=O)[O-])cc1	5094419	DXOGSSBYFPETSP-UHFFFAOYSA-N	262.309	3.504	5	50	CHBA	
O[C@H]1c2cc3ccc4cccc5ccc(c2CC[C@H]1O)c3c45	5678311	BZKFNBASVGRQMC-XLIONFOSSA-N	288.346	3.925	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2CCC=CCC[C@H]21	245240289	PTVHKBNXYKHEEV-FICVDOATSA-N	286.331	3.526	5	50	CHBA	
Nc1c([N+](=O)[O-])ccc(Oc2ccccc2)c1Cl	6116044	DDBMQDADIHOWIC-UHFFFAOYSA-N	264.668	3.623	5	50	CHBA	in-vitro
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(Cl)c1	438081	NPOYGFHKEBAXGV-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CCN(CC)c1cc(N2CCCCC2)c([N+](=O)[O-])cc1F	4701841	UZVBZQFPNVBDIT-UHFFFAOYSA-N	295.358	3.570	5	50	CHBA	
C[C@@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	471225	UPXXSWQIWOPHAP-CHWSQXEVSA-N	298.342	3.576	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)cc1NCCc1ccccc1	4549136	OFLHOFRZKONQJI-UHFFFAOYSA-N	276.723	3.903	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])cc1	5413552	ZMXACOIMRMSMCV-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(CN2CCCCCC2)c1	239420	DJYHGUIYAHULGG-UHFFFAOYSA-N	268.744	3.624	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	271553	JJQSSZABUGAGPU-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
CCc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	272213	ZJCNWJLOMFZJKB-UHFFFAOYSA-N	284.315	3.718	5	50	CHBA	
C[C@@H]1CC2(CCCC2)NCc2cc([N+](=O)[O-])ccc21	228792	CTJWWKKHMRXOJA-LLVKDONJSA-N	260.337	3.504	5	50	CHBA	
O=[N+]([O-])c1c(Cl)ccc(Cl)c1Br	263624929	VGAWOPPMBFQSID-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C1C(C)(C)C1(C)C	130651	VTTUUKHDPVWHKM-UHFFFAOYSA-N	276.336	3.524	5	50	CHBA	
O=Cc1ccc(SCc2ccccc2)c([N+](=O)[O-])c1	160615	UIXPQYSMFXQEMB-UHFFFAOYSA-N	273.313	3.700	5	50	CHBA	
O=[N+]([O-])c1cc(-c2nnc(-c3ccco3)o2)ccc1Cl	276102	VMGDSSXYWIDIGI-UHFFFAOYSA-N	291.650	3.558	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccc(OCc2ccc(F)cc2)cc1	474719	NVUJWYSFRQLUJZ-MDZDMXLPSA-N	273.263	3.652	5	50	CHBA	
Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C	43903	AUXFNOMDTIZTSH-VQHVLOKHSA-N	296.326	3.864	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=CCCCC[C@H]21	100482168	ZPANZFWPFCWZHP-RBSFLKMASA-N	286.331	3.526	5	50	CHBA	
Cc1cccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1	102853	FLMCYFPTQNQNEQ-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CCN(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])c(C)c1	284788	PHNDHRVCUZOGRK-UHFFFAOYSA-N	298.342	3.566	5	50	CHBA	
COc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1Cl	4856117	SXCFFXRNZXBWCE-UHFFFAOYSA-N	292.722	3.869	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1F	4539191	OUOMUJURZPCMBN-UHFFFAOYSA-N	289.266	3.686	5	50	CHBA	
CC(=O)c1ccc(OCc2ccc(F)cc2)c([N+](=O)[O-])c1	132905	XMYCVHFGYFJOJX-UHFFFAOYSA-N	289.262	3.516	5	50	CHBA	
C[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	4530675	WDPJOUSERAPPNV-JTQLQIEISA-N	287.275	3.676	5	50	CHBA	
O=C1O[C@@H](c2ccc([N+](=O)[O-])cc2)Sc2ccccc21	86982	JGPYSTGKMNQEJQ-CQSZACIVSA-N	287.296	3.556	5	50	CHBA	
C[C@@H]1Cc2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1	4986181	WSYPHLUKVJOJQM-LLVKDONJSA-N	297.314	3.578	5	50	CHBA	
Cc1oc2c(Cl)c(Cl)c(O)cc2c1[N+](=O)[O-]	1421034	FSULXSPGHVQFOD-UHFFFAOYSA-N	262.048	3.662	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2ccc(CN3CCCCC3)o2)c1	4986883	BYOTVKDBQXTBEC-UHFFFAOYSA-N	286.331	3.841	5	50	CHBA	
O=C(NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1Cl	146248	QCLAIZABNSSLKI-UHFFFAOYSA-N	296.754	3.701	5	50	CHBA	
CC[C@H](C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	4841934	APYQNDVCRCGIEW-JTQLQIEISA-N	288.303	3.954	5	50	CHBA	
Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)c1	458705	XPOGAUZSVMLMFE-UHFFFAOYSA-N	269.300	3.751	5	50	CHBA	
Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-]	300945	DFDDCJNNUNSRLF-GJZGRUSLSA-N	296.326	3.645	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)cc1Sc1ccccn1	568563	XAWKZRRPMSQLRO-UHFFFAOYSA-N	266.709	3.794	5	50	CHBA	
C[C@H]([C@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-]	1667287	ZISZMLQGFYEQMF-CJNGLKHVSA-N	283.327	3.708	5	50	CHBA	
CC(C)(C)c1ccc(N)c(C(C)(C)C)c1[N+](=O)[O-]	345903	XPJZRFRWJGHVNK-UHFFFAOYSA-N	250.342	3.772	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(Cl)cc1Br	15021687	NDJFXRVGCQJCSF-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	in-vitro
Cc1c(NC(=O)CCCc2ccccc2)cccc1[N+](=O)[O-]	318919	WVSOXLIYZFKMHA-UHFFFAOYSA-N	298.342	3.865	5	50	CHBA	
CCCC[C@H](CC)CNC(=O)c1cccc([N+](=O)[O-])c1C	2749070	LOYMUVPTEBXLAB-ZDUSSCGKSA-N	292.379	3.849	5	50	CHBA	
O=[N+]([O-])c1cccc2ccc(Oc3ccccc3)nc12	231960	WYGWXSUZIYSAND-UHFFFAOYSA-N	266.256	3.935	5	50	CHBA	
CC1c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21	3132304	WGBGEDCUEKJPBD-UHFFFAOYSA-N	270.244	3.635	5	50	CHBA	
O=c1c2cc3ccccc3cc2oc2cc(O)cc(O)c12	28655167	MSAPVEXKCXYFIM-UHFFFAOYSA-N	278.263	3.511	5	50	CHBA	
C[C@H](/C=C/c1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1	3080870	GXXBDZAGQLEVES-SBDDDAINSA-N	297.310	3.854	5	50	CHBA	
Cc1cccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	2566664	CCGCLMJSSPPDFV-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
COc1ccc2occ(C(=O)c3ccc([N+](=O)[O-])cc3)c2c1	446102	QRFDKXJCUYNFJC-UHFFFAOYSA-N	297.266	3.581	5	50	CHBA	
CSc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)c1	473215	HVNMWQDGPGVEBN-UHFFFAOYSA-N	288.328	3.569	5	50	CHBA	
Cc1ccc(C[C@@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1	1205166	XKKUBJIEUFUNCK-SECBINFHSA-N	260.120	3.640	5	50	CHBA	
O=[N+]([O-])C[C@H](c1ccccc1)c1c[nH]c2ccccc12	53345	NTQBCZPFTAELGC-OAHLLOKOSA-N	266.300	3.577	5	50	CHBA	
CC(C)CCC[C@H](C)NC(=O)c1ccccc1[N+](=O)[O-]	2990718	ZTHUBOYHSSYYIG-LBPRGKRZSA-N	278.352	3.539	5	50	CHBA	
O=C(Oc1ccc2c(c1)CCCC2)c1cccc([N+](=O)[O-])c1	620515	WGACSLRFGKPVQM-UHFFFAOYSA-N	297.310	3.693	5	50	CHBA	
Cc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	103116	HBLVYPWUVLNREA-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(NC(=O)Oc2ccccc2)c([N+](=O)[O-])c1	4041148	ZUIKHCTWMRMWGR-UHFFFAOYSA-N	272.260	3.514	5	50	CHBA	
O=C(c1ccc([N+](=O)[O-])o1)N(C1CCCC1)C1CCCC1	347300	RRLDJKBDGXWTNQ-UHFFFAOYSA-N	292.335	3.515	5	50	CHBA	
O=[N+]([O-])c1ccc(CNC2C3CC4CC(C3)CC2C4)cc1	4838079	SHYWTNMOPKSGIM-UHFFFAOYSA-N	286.375	3.509	5	50	CHBA	
C[C@@H](C(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1	471810	XNHIWFGUASLCQD-GFCCVEGCSA-N	290.363	3.537	5	50	CHBA	
CC(C)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12	63679	CKXQHFRBZVPIRG-UHFFFAOYSA-N	282.295	3.508	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)ccc1NC1CCCCC1	4976220	BOMZVYQIOVFFCF-UHFFFAOYSA-N	254.717	3.993	5	50	CHBA	
Cc1ccnc(SCc2c(Cl)cccc2[N+](=O)[O-])n1	4869116	BCAXZZMECGIFIU-UHFFFAOYSA-N	295.751	3.639	5	50	CHBA	
CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1C	300420	PVZOWQDWYQKJOM-UHFFFAOYSA-N	298.342	3.878	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1	1081100	GMUWJDVVXLBMEZ-UHFFFAOYSA-N	259.105	3.632	5	50	CHBA	
C[N+]1(C)CCC(CCCCC2CC[N+](C)(C)CC2)CC1	825093263	CRZFBOYDOIEFHC-UHFFFAOYSA-N	282.516	3.520	5	50	CHBA	
Cc1cc([N+](=O)[O-])cc(C)c1OCc1ccccc1	220309477	DEGWVJQDBXRFKR-UHFFFAOYSA-N	257.289	3.791	5	50	CHBA	
Cc1c(C(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-]	300770	XLNMMMNBELAKEC-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCCC[C@H]1C	437914	XLDWLDNJTCUERU-ZYHUDNBSSA-N	264.325	3.594	5	50	CHBA	
CCOc1ccc(-c2nc3ccc([N+](=O)[O-])cc3o2)cc1	4813521	MULZZTQBUOQLQE-UHFFFAOYSA-N	284.271	3.802	5	50	CHBA	
O=[N+]([O-])c1ccc2c(c1)N=C(c1ccc(Cl)cc1)CO2	43022782	CCLYABIRPCSNKR-UHFFFAOYSA-N	288.690	3.761	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2cnc(-c3ccccc3)nc2)cc1	300136	PIHCPROWVSRHPB-UHFFFAOYSA-N	277.283	3.719	5	50	CHBA	
O=[N+]([O-])c1cc(-c2cccc(C(F)(F)F)c2)ccc1O	95494962	OOJFBHBZPAEWET-UHFFFAOYSA-N	283.205	3.986	5	50	CHBA	
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1NC1CC1	169726171	PTJOEQOAFYDEJY-UHFFFAOYSA-N	284.315	3.748	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	182022	IJONNIOUYPRLPJ-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1cc(NC(=O)c2ccccc2)c(Cl)cc1[N+](=O)[O-]	4529202	FSQMLSBGODTGQF-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	in-vitro
CCCCN(CCCC)C(=O)c1cccc(C)c1[N+](=O)[O-]	2827966	HSDHVMUWWJTFAZ-UHFFFAOYSA-N	292.379	3.946	5	50	CHBA	
CC(C)N(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1	1230406	FPLHOVDTCRZXMH-UHFFFAOYSA-N	298.342	3.646	5	50	CHBA	
Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3879127	OPGDEODYIMUSCO-UHFFFAOYSA-N	273.248	3.555	5	50	CHBA	
CCNc1cc(OCc2ccccc2)ccc1[N+](=O)[O-]	95494793	YMDUNSVJPHEFNS-UHFFFAOYSA-N	272.304	3.606	5	50	CHBA	
CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	372726	SNLLXPIMPBDVLH-OAHLLOKOSA-N	284.315	3.727	5	50	CHBA	
CC(C)(C)CC(C)(C)NC(=O)c1cccc([N+](=O)[O-])c1	614964	OMRWWDLTKJBUOC-UHFFFAOYSA-N	278.352	3.539	5	50	CHBA	
O=[N+]([O-])c1cccc(Cl)c1N1CCCCCC1	238791131	LFEUTRFMELOCEL-UHFFFAOYSA-N	254.717	3.629	5	50	CHBA	
CSc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	1739846	KWTJOXGKBIXXAN-UHFFFAOYSA-N	288.328	3.569	5	50	CHBA	
Cc1cc(C)cc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3880428	RLZJAPYEPJFRDS-UHFFFAOYSA-N	287.275	3.863	5	50	CHBA	
COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccccc1	55062	YDGNRJKNDGBMCL-MDZDMXLPSA-N	285.299	3.522	5	50	CHBA	in-vitro
Cc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C	302587	MKNVJNLBMVPTNJ-UHFFFAOYSA-N	269.300	3.751	5	50	CHBA	
O=[N+]([O-])c1ccc(NCC23CC4CC(CC(C4)C2)C3)nc1	19933833	CDVDCKFNUUMVTL-UHFFFAOYSA-N	287.363	3.618	5	50	CHBA	
Cc1c(C(=O)Nc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-]	484450	GJBYDVXDPYUIJU-UHFFFAOYSA-N	296.326	3.644	5	50	CHBA	
Cc1cc(-c2nc3ccccc3o2)ccc1[N+](=O)[O-]	469953	LEBHUBILCVQOSH-UHFFFAOYSA-N	254.245	3.711	5	50	CHBA	
CCN(C(=O)c1cccc(C)c1[N+](=O)[O-])c1ccccc1	466513	NTOCDHPKJBGUPD-UHFFFAOYSA-N	284.315	3.570	5	50	CHBA	
CC(C)(C)Nc1cc(Br)ccc1[N+](=O)[O-]	74937748	FXOQUYKHAQDUDT-UHFFFAOYSA-N	273.130	3.568	5	50	CHBA	in-vitro
Cc1cc(C)c(C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	3958684	GGVLEEUHDJVPIE-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc(F)c(F)c1NC1CCCCC1	53162653	HINZQJXKAHLSIT-UHFFFAOYSA-N	256.252	3.618	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccc(OCCCCCN2CCCCC2)cc1	2885547	ZQTOQHZFNZWSGM-UHFFFAOYSA-N	292.379	3.630	5	50	CHBA	
O=[N+]([O-])C1([N+](=O)[O-])CCCCCCCCCCC1	19325139	GQYUALUIENRERH-UHFFFAOYSA-N	258.318	3.541	5	50	CHBA	
O=[N+]([O-])c1cc2c3c(cccc3c1Br)COC2	165167223	CRJUOALRCODYDL-UHFFFAOYSA-N	294.104	3.541	5	50	CHBA	
COC(=O)c1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	257808	STFIAUKBFFALNK-UHFFFAOYSA-N	289.312	3.533	5	50	CHBA	
CC(C)Sc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	261493557	DMXKFPJLLBPMTI-UHFFFAOYSA-N	266.244	3.509	5	50	CHBA	
CCc1cccc(CC)c1NC(=O)c1ccc([N+](=O)[O-])cc1	145139	QZOFPFHPYVYMGB-UHFFFAOYSA-N	298.342	3.972	5	50	CHBA	
Brc1cnc2c(ccc3cccnc32)c1	34596120	OADZHFGJIVKDJN-UHFFFAOYSA-N	259.106	3.546	5	50	CHBA	in-vitro
C[C@@H]1CCCC[C@H]1OC(=O)Nc1cccc([N+](=O)[O-])c1	2171331	OHOACKGMJCAJNW-ZWNOBZJWSA-N	278.308	3.722	5	50	CHBA	
O=[N+]([O-])c1ccc(OCSc2ccccc2)cc1	197419	COOGOARYIKHCBJ-UHFFFAOYSA-N	261.302	3.723	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2CCCCC=C[C@@H]21	5027838	ZPANZFWPFCWZHP-SOUVJXGZSA-N	286.331	3.526	5	50	CHBA	
O=C(O)c1ccc(Oc2c(Cl)cccc2[N+](=O)[O-])cc1	233184	ODSUSTCBUKQUTJ-UHFFFAOYSA-N	293.662	3.739	5	50	CHBA	
COc1ccc(NSc2ccccc2[N+](=O)[O-])cc1	123623	UZBCLGMTNMKXRS-UHFFFAOYSA-N	276.317	3.723	5	50	CHBA	biogenic
O=C(Oc1ccc2ccccc2c1)c1ccc([N+](=O)[O-])cc1	38455	NVUDBHZHBVZTNS-UHFFFAOYSA-N	293.278	3.967	5	50	CHBA	
Cc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl	101901	CYTQIUHTTNVZRL-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CCCCOC(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	1777646	ICJZWRUGWZKZFM-UHFFFAOYSA-N	295.320	3.553	5	50	CHBA	
COc1ccc2c([N+](=O)[O-])c(NCc3ccccc3)[nH]c2c1	4352524	NISJXOWWELZARC-UHFFFAOYSA-N	297.314	3.697	5	50	CHBA	
Cc1ccc(NC(=O)/C=C/c2ccccc2)c([N+](=O)[O-])c1	4113853	FTMRZBBFHLMDFA-CSKARUKUSA-N	282.299	3.555	5	50	CHBA	
Cc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c1C	272602	DSVHWHRLAJXORB-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
CC(C)N(c1ccccc1)c1ncnc(Cl)c1[N+](=O)[O-]	4054439	UEGMVVDYIFJKFJ-UHFFFAOYSA-N	292.726	3.585	5	50	CHBA	
CC(C)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1	293371	DWWGWBMSKQTRPR-UHFFFAOYSA-N	284.315	3.971	5	50	CHBA	
O=[N+]([O-])c1ccc2nc3c(cc2c1)COc1ccccc1-3	350797	QQBWTEYFWAOCCV-UHFFFAOYSA-N	278.267	3.702	5	50	CHBA	
Cc1ccc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1C	129420	ZEPRHVBHYFFYAM-VQHVLOKHSA-N	297.310	3.830	5	50	CHBA	
Cc1c(C(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-]	311656	RWGNJRVKTMGZSK-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CN(c1ccccc1)c1ccc(/C=C/[N+](=O)[O-])cc1	454909	SCADSUITEVTTIM-VAWYXSNFSA-N	254.289	3.702	5	50	CHBA	
CN(C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccc1	4987971	QORYOCYECXKNSZ-YRNVUSSQSA-N	282.343	3.740	5	50	CHBA	
COC(=O)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2	4743811	MUYZSHGCIHLPAM-UHFFFAOYSA-N	297.266	3.658	5	50	CHBA	
O[C@@H]1CCCN(Cc2c3ccccc3cc3ccccc23)C1	4988537	KEEPUOQJKDMRFV-QGZVFWFLSA-N	291.394	3.950	5	50	CHBA	aggregator
C[n+]1c(/C=C/c2cccc([N+](=O)[O-])c2)ccc2ccccc21	5211954	DBCCLIWPDKHQJK-PKNBQFBNSA-N	291.330	3.743	5	50	CHBA	
O=c1c2cccc3cccc(c32)c2nc3ccccc3n12	39381	NZBSAAMEZYOGBA-UHFFFAOYSA-N	270.291	3.592	5	50	CHBA	
Cc1ccc(COC(=O)c2cccc([N+](=O)[O-])c2C)cc1	150900	GXNDBTYFQUVELI-UHFFFAOYSA-N	285.299	3.569	5	50	CHBA	
CC(=O)n1cc(Nc2cccc([N+](=O)[O-])c2)c2ccccc21	209210	FMVJSAMWISBCRY-UHFFFAOYSA-N	295.298	3.953	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@H]1C	437915	XLDWLDNJTCUERU-JQWIXIFHSA-N	264.325	3.594	5	50	CHBA	
CC(=O)c1ccc2oc3cc([N+](=O)[O-])ccc3c2c1	3898955	VHNWACCPZKFEBW-UHFFFAOYSA-N	255.229	3.697	5	50	CHBA	
Cc1ccc(NC(=O)Nc2ccccc2F)cc1[N+](=O)[O-]	2889961	UDUSRIUSQLXMIF-UHFFFAOYSA-N	289.266	3.686	5	50	CHBA	
CCCC(CCC)C(=O)O[C@@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C	100036830	XGGHHHBGPSNXFE-ZSHCYNCHSA-N	282.448	3.516	5	50	CHBA	world
CSc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)cc1	95495185	CZCWYKIVZZCALR-UHFFFAOYSA-N	289.312	3.682	5	50	CHBA	in-vitro
CC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1	8079695	LMJUIIVLTHMZRA-UHFFFAOYSA-N	257.245	3.590	5	50	CHBA	
O=C(Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1	101766	QJQGZZMNYAIKBU-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=[N+]([O-])c1ccc2ccccc2c1Br	5518379	LEHBLKHJWCNXKQ-UHFFFAOYSA-N	252.067	3.511	5	50	CHBA	
Nc1cc(Oc2ccc(Cl)cc2)cc([N+](=O)[O-])c1	373975	DIMXIWGYRCTQPG-UHFFFAOYSA-N	264.668	3.623	5	50	CHBA	
Cc1ccc(-c2nc3ccccc3o2)cc1[N+](=O)[O-]	1164012	YQCIMNYDLYOEBI-UHFFFAOYSA-N	254.245	3.711	5	50	CHBA	
O=[N+]([O-])c1cccc2ccc(/C=C/c3cncs3)nc12	129926495	BQMRKIFJTQDOSS-VOTSOKGWSA-N	283.312	3.770	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2cn3cc(Cl)ccc3n2)cc1	187665	FRCRIUWSMWCWRY-UHFFFAOYSA-N	273.679	3.563	5	50	CHBA	
O=[N+]([O-])/C=C/c1cn(-c2ccccc2)c2ccccc12	120129	JHTQRJSIADSEBT-ZHACJKMWSA-N	264.284	3.878	5	50	CHBA	
O=[N+]([O-])c1cnc(C2=C(O)[C@@H]3CCCC[C@@H]3CC2)s1	100693461	FECZATKIVHNOMQ-RKDXNWHRSA-N	280.349	3.921	5	50	CHBA	
CC(C)(C)Nc1ccc([N+](=O)[O-])cc1Br	38537491	RYOITTMHFVTIQN-UHFFFAOYSA-N	273.130	3.568	5	50	CHBA	
COc1ccc(OC)c(/C=C/c2ccc([N+](=O)[O-])cc2)c1	1569130	HVSBSYHEGIPGAW-ZZXKWVIFSA-N	285.299	3.782	5	50	CHBA	in-vitro
O=c1c2cc(Cl)ccc2sc2ccc([N+](=O)[O-])cc12	4619249	SFZUTEKCOUBULG-UHFFFAOYSA-N	291.715	3.976	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCCC[C@@H]2C(F)(F)F)cc1	85652853	NHFQAPYABNRJNC-LLVKDONJSA-N	274.242	3.516	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccccc1OCc1ccc(F)cc1	474027	JBJTZBIAZUOMDU-MDZDMXLPSA-N	273.263	3.652	5	50	CHBA	
Cc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1C	14831569	LQRFJDZVSTUPOX-MDZDMXLPSA-N	296.326	3.864	5	50	CHBA	
CC(C)C(=O)N(Cc1ccccc1)c1cccc([N+](=O)[O-])c1	47705	IAPFROKFOIZXPE-UHFFFAOYSA-N	298.342	3.784	5	50	CHBA	
CC(C)CCC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	2989131	CMMWEUFNXBWUKR-GFCCVEGCSA-N	278.352	3.539	5	50	CHBA	
CC(C)CCC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	2988489	NOLQMVUASNBIPC-LBPRGKRZSA-N	278.352	3.539	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2	101858754	XHMOJOKMAVMPLK-ATZCPNFKSA-N	294.738	3.623	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)cc1CN1CCCCCC1	2811215	KHQZSUXWJWCJLL-UHFFFAOYSA-N	268.744	3.624	5	50	CHBA	
Cc1ccc(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	471691	ZHQWPUNXVHZYCJ-UHFFFAOYSA-N	295.298	3.544	5	50	CHBA	
O=[N+]([O-])c1cccc(CN2CCC[C@H]3CCCC[C@H]32)c1	278027	RTZGVAHKUUQAEU-GDBMZVCRSA-N	274.364	3.749	5	50	CHBA	
O=[N+]([O-])c1cc2cc(Br)ccc2nc1Cl	137152288	BWNVKAXQIQJPBI-UHFFFAOYSA-N	287.500	3.559	5	50	CHBA	
O=C(c1ccccc1)c1cc2cc([N+](=O)[O-])ccc2o1	15215923	GGAAFJDOXQXLJH-UHFFFAOYSA-N	267.240	3.572	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1NCc1ccc(Cl)cc1	243100	JZOKOUSBAHTQGB-UHFFFAOYSA-N	292.722	3.869	5	50	CHBA	
O=C(Nc1cccc(F)c1)c1ccc(Cl)c([N+](=O)[O-])c1	258990	CJUZQGZYXCHHRV-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)ccc1NCc1ccccc1	4831980	LTSBSRAZIKXNMH-UHFFFAOYSA-N	262.696	3.860	5	50	CHBA	in-vitro
CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1	4017594	AZTNKGFJYVATPK-INIZCTEOSA-N	281.315	3.922	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccccc1OCc1ccccc1	1410993	SQPQKZLZYZFJBK-ZHACJKMWSA-N	255.273	3.513	5	50	CHBA	
Clc1ccc2[nH]c3nc4ccccc4nc3c2c1	17720889	PSLOAFHZTHDLHB-UHFFFAOYSA-N	253.692	3.918	5	50	CHBA	
Cc1cccc(C)c1NC(=O)Nc1ccc([N+](=O)[O-])cc1	4794823	SKNZLXGUBQBATO-UHFFFAOYSA-N	285.303	3.856	5	50	CHBA	
O=[N+]([O-])c1cc(-c2ccccc2)cc([N+](=O)[O-])c1Cl	1724781	GNSRPVVOJBKRCG-UHFFFAOYSA-N	278.651	3.823	5	50	CHBA	
CC(C)[N+](C)(C)C[C@H](O)c1ccc(Cl)c(Cl)c1	394702	PPELRIPURGTPQP-ZDUSSCGKSA-N	277.215	3.512	5	50	CHBA	
O=[N+]([O-])c1cc(Br)cc(C(F)(F)F)c1F	116526533	GDXKUVVSMRFFPR-UHFFFAOYSA-N	287.994	3.515	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1	133141	OCIDLPOBYGFETJ-UHFFFAOYSA-N	282.255	3.593	5	50	CHBA	
O=C(OCc1cccc([N+](=O)[O-])c1)c1ccccc1Cl	467126	WHYMLFPWGOLATH-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
O=[N+]([O-])c1cc(-c2nc3ccccc3s2)ccc1O	33903531	LXSUPDDEYFDPFW-UHFFFAOYSA-N	272.285	3.577	5	50	CHBA	
CC[C@@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)CC	475788	PTVFYEMHSGOECA-VXGBXAGGSA-N	278.352	3.634	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@@H](C)C1	228385	QQPFOHQPSUCHNZ-GHMZBOCLSA-N	264.325	3.594	5	50	CHBA	
C/C(=C\c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C	466441	QVTMYRAGRKNIPD-JLHYYAGUSA-N	296.326	3.945	5	50	CHBA	
O=C(O)c1cc([N+](=O)[O-])cc2c1C=Cc1ccccc1O2	4342846	SPYMAOCSDJMUJW-UHFFFAOYSA-N	283.239	3.569	5	50	CHBA	
Cc1cc(F)ccc1NCc1ccc([N+](=O)[O-])cc1	292749	HOKFYGNOWFBTBO-UHFFFAOYSA-N	260.268	3.654	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2noc(CC3CCCCC3)n2)c1	87965	HDYIZCUZYIIPKF-UHFFFAOYSA-N	287.319	3.768	5	50	CHBA	
Cc1ccc(C)c(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c1	514644	DCUVQBTYPBMYLP-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
Cc1cc(C)c(NC(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1	4952364	IBDMTPQYFKFPDX-UHFFFAOYSA-N	288.278	3.603	5	50	CHBA	
CCCCc1nc2cc(Cl)c([N+](=O)[O-])cc2o1	2547877	LQMKZPJGVVIHSZ-UHFFFAOYSA-N	254.673	3.732	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(OC(F)F)c1Cl	263624946	VKOMWKSKVYDMKA-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(OCc2ccccc2)c1F	261493886	LIJVMWRIGUGUHY-UHFFFAOYSA-N	281.670	3.966	5	50	CHBA	
CC(C)Oc1cc([N+](=O)[O-])cc(Cl)c1OC(C)C	261493684	HABRGWAAVWPERP-UHFFFAOYSA-N	273.716	3.823	5	50	CHBA	
Cc1ccc(NC(=S)Nc2ccccc2)cc1[N+](=O)[O-]	5897411	BJSQUVLQKHGERI-UHFFFAOYSA-N	287.344	3.712	5	50	CHBA	
CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	376379	ZDAGWBLWAUAACD-LLVKDONJSA-N	296.754	3.653	5	50	CHBA	
CC(C)Oc1ccc2ccccc2c1/C=C/[N+](=O)[O-]	475935	IBHXMGBSIYJPHF-MDZDMXLPSA-N	257.289	3.874	5	50	CHBA	
Cc1cccc(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1C	82478	LWJAWUVHRLRRIU-UHFFFAOYSA-N	288.278	3.603	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccco1	4798995	FZLXVANBRDBDAL-UHFFFAOYSA-N	296.666	3.590	5	50	CHBA	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2cccc([N+](=O)[O-])c2)C1	100411885	GQOSNBDGQBEHJN-DOTOQJQBSA-N	288.391	3.995	5	50	CHBA	
CCCCN(CCCC)C(=O)c1cccc([N+](=O)[O-])c1	1687412	DYXQWLWZEBNVLV-UHFFFAOYSA-N	278.352	3.637	5	50	CHBA	
O=[N+]([O-])c1cc(Br)cc(Cl)c1Cl	216842895	FUDYNOPYACYHBS-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	
Cc1cc(C)c(NC(=O)Cc2ccccc2[N+](=O)[O-])c(C)c1	184134	LRJSQAFWMMZTNU-UHFFFAOYSA-N	298.342	3.701	5	50	CHBA	
CC(C)c1ccc(CNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	471389	RTWVDEKLDDRUFM-UHFFFAOYSA-N	298.342	3.648	5	50	CHBA	
CC[C@H](Nc1ncc([N+](=O)[O-])s1)c1cccs1	189684884	DZPJKWHFOIACEA-ZETCQYMHSA-N	269.351	3.676	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl	4698844	NPFBWZRQZHANNW-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Nc1c(C(=O)c2ccccc2[N+](=O)[O-])sc2ccccc12	39174689	QHEBTZKFJNUQIK-UHFFFAOYSA-N	298.323	3.623	5	50	CHBA	
O=[N+]([O-])c1ccc(COc2ccnc(C(F)(F)F)c2)cc1	170617542	YHOUOBKMHNQKSP-UHFFFAOYSA-N	298.220	3.588	5	50	CHBA	
O=C(c1ccco1)c1cc2c(ccc3ccccc32)oc1=O	530506	YAVOJTLDRYOQNZ-UHFFFAOYSA-N	290.274	3.770	5	50	CHBA	
CC(C)(C)c1ccc(Br)c([N+](=O)[O-])c1	34429304	XACFLGSMDUITKB-UHFFFAOYSA-N	258.115	3.655	5	50	CHBA	
O=[N+]([O-])c1cccc(CNCCc2ccc(Cl)cc2)c1	19721120	LEGVWEYPZMWVER-UHFFFAOYSA-N	290.750	3.581	5	50	CHBA	
CC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])cc1N	345898	KQKZLQXGNDBEIE-UHFFFAOYSA-N	250.342	3.772	5	50	CHBA	
O=C(O)c1ccc(F)c2cc3c(F)cccc3cc12	71257120	TWVLBYFTXRDBIO-UHFFFAOYSA-N	258.223	3.969	5	50	CHBA	
O=C(O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1Cl	65350799	BIDCLZCLMBUQHP-UHFFFAOYSA-N	277.663	3.613	5	50	CHBA	in-vitro
Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1ccccc1	4583107	USFXVROWTKFBFA-UHFFFAOYSA-N	271.276	3.547	5	50	CHBA	
Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1	4901928	QAQUIVIJORWZTM-UONOGXRCSA-N	296.326	3.645	5	50	CHBA	
C[C@H]([C@@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-]	1667285	ZISZMLQGFYEQMF-CZUORRHYSA-N	283.327	3.708	5	50	CHBA	
OC[C@@H]1CCC[N@+]2(Cc3ccc(Cl)cc3)CCCC[C@H]12	253389806	IJDFDCJKZVZTEL-WDYCEAGBSA-N	294.846	3.612	5	50	CHBA	biogenic
COC(=O)c1ccccc1Sc1ccccc1[N+](=O)[O-]	5720018	HYLBOHAKLGJNHE-UHFFFAOYSA-N	289.312	3.533	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccc2[nH]ccc2c1	1875363309	YNAXVNRFYAIMAW-UHFFFAOYSA-N	296.286	3.720	5	50	CHBA	
CC(C)(C)CC(C)(C)NC(=O)c1ccc([N+](=O)[O-])cc1	74892	OACGEWWFPVXRGO-UHFFFAOYSA-N	278.352	3.539	5	50	CHBA	
O=[N+]([O-])c1cnc2cc(Br)ccc2c1Cl	72187459	KGTVATADCQABRD-UHFFFAOYSA-N	287.500	3.559	5	50	CHBA	in-vitro
O=[N+]([O-])/C=C/c1c[nH]c2ccc(OCc3ccccc3)cc12	1699048	VHFAFPNKRNJZPV-CMDGGOBGSA-N	294.310	3.994	5	50	CHBA	
CC(=O)c1ccc(Oc2ccc(C)cc2)c([N+](=O)[O-])c1	8080380	YOIXIEHVRNAKSB-UHFFFAOYSA-N	271.272	3.898	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1N[C@H]1CCCC[C@H]1C	437916	XLDWLDNJTCUERU-PWSUYJOCSA-N	264.325	3.594	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)cc(Br)c1F	238553122	SRLDZKXOCHTLHB-UHFFFAOYSA-N	287.994	3.515	5	50	CHBA	
CC(C)(C)OCCOc1cc(F)c(Cl)cc1[N+](=O)[O-]	253400960	HHEPQWFIEXMLBL-UHFFFAOYSA-N	291.706	3.581	5	50	CHBA	
COC(=O)c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1	133972	KSZIJBUMOFZRNS-UHFFFAOYSA-N	295.360	3.806	5	50	CHBA	
Cc1cc(C)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C)c1	485402	QAJMOBAKPOPSBP-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)cc(OCc2ccccc2)c1	261494215	RZUSKZUHLPZGMY-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
Cc1ccc2c(c1)nc1c3cccc4cccc(c(=O)n21)c43	406822	MIJNQOWYQBLHCC-UHFFFAOYSA-N	284.318	3.900	5	50	CHBA	
Cc1c(F)cc(OCc2ccccc2)cc1[N+](=O)[O-]	390835884	LZHASWXDSOAZIZ-UHFFFAOYSA-N	261.252	3.621	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(/C=C\c2ccccn2)c1	4531857	RWMIGSKGHNOKLS-PLNGDYQASA-N	260.680	3.814	5	50	CHBA	
O=[N+]([O-])c1cccc(NCc2ccccc2Cl)c1	1514200	DSGIXYILEPMUKK-UHFFFAOYSA-N	262.696	3.860	5	50	CHBA	
O=[N+]([O-])c1cccc(Nc2nc(-c3ccccn3)cs2)c1	190397	PJDOWMMLUSVPSR-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
CCC(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2)cc1	472013	QFJCJNHIEDBCOV-UHFFFAOYSA-N	285.299	3.767	5	50	CHBA	
Cc1ccc(NC(=O)N(C)Cc2ccccc2)c([N+](=O)[O-])c1	4799906	SVHXAHGKTUADFP-UHFFFAOYSA-N	299.330	3.567	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(Cl)c(C(F)(F)F)c1	2540268	DPOBIBPWXIPEHF-UHFFFAOYSA-N	259.998	3.920	5	50	CHBA	in-vitro
CC(=O)c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	8080521	HXFDKYCCCPFDSF-UHFFFAOYSA-N	275.235	3.729	5	50	CHBA	
Cc1ccc(NC(=O)N(C)Cc2ccccc2)cc1[N+](=O)[O-]	2172216	RRJYJRBWXHFJPO-UHFFFAOYSA-N	299.330	3.567	5	50	CHBA	
Cc1cc([N+](=O)[O-])c(OCc2ccccc2)cc1F	261494124	QLEVRWMQZNPUSK-UHFFFAOYSA-N	261.252	3.621	5	50	CHBA	
O=[N+]([O-])c1ccc(Cc2nc3ccccc3s2)cc1	1232022	DATVPJQBGJABAN-UHFFFAOYSA-N	270.313	3.795	5	50	CHBA	
COCc1[nH]c2ccc([N+](=O)[O-])cc2c1-c1ccccc1	207253	BEQKCAKJBOXVRE-UHFFFAOYSA-N	282.299	3.890	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCCCC1	860143	HSJCUTPJMFFQED-UHFFFAOYSA-N	282.727	3.767	5	50	CHBA	
Cc1ccc(NC(=O)c2ccccc2Cl)c([N+](=O)[O-])c1	4010532	NJXHVIPIXUVKBR-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccsc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4615025	ZBMFENURWXHFNV-UHFFFAOYSA-N	296.735	3.870	5	50	CHBA	
Cc1c(C)c([N+](=O)[O-])c(C)c(C)c1Br	1627183	ZKJBOKTVENHJJA-UHFFFAOYSA-N	258.115	3.591	5	50	CHBA	in-vitro
Nc1nc(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)s1	453216	ZLMUFOPPHJJBGZ-UHFFFAOYSA-N	297.339	3.968	5	50	CHBA	
O=Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(Cl)c1	4833375	KGAXYZOUTOBIPS-UHFFFAOYSA-N	291.690	3.640	5	50	CHBA	
Cc1ccc(SC(=O)c2ccc([N+](=O)[O-])cc2)cc1	4582324	LMFTVBRXQOQHQC-UHFFFAOYSA-N	273.313	3.836	5	50	CHBA	
Cc1nc(-c2ccc([N+](=O)[O-])cc2)nc2ccccc12	181099	LYOONHIXXJAABF-UHFFFAOYSA-N	265.272	3.513	5	50	CHBA	
COc1cccc2c1Oc1cc([N+](=O)[O-])ccc1C=C2	1420957	RTYBNNXASDEOBQ-UHFFFAOYSA-N	269.256	3.880	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(C[n+]2cccc3ccccc32)c1	270512	RCTSZURQTHFOGQ-UHFFFAOYSA-N	299.737	3.737	5	50	CHBA	
Cc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	3879126	PKFVVWUEBWQRKF-UHFFFAOYSA-N	273.248	3.555	5	50	CHBA	
Cc1noc(/C=C/c2c[nH]c3ccccc23)c1[N+](=O)[O-]	252500903	TYTUJIWHWSNPNS-VOTSOKGWSA-N	269.260	3.543	5	50	CHBA	
Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1	16013676	GRPKHAPGPGNHAX-UHFFFAOYSA-N	285.299	3.739	5	50	CHBA	
CCN(CC)CCCCCCOc1ccccc1[N+](=O)[O-]	2880292	TZGUNOPFJGRPGQ-UHFFFAOYSA-N	294.395	3.876	5	50	CHBA	
C[C@H]1CCCCN1c1ccc([N+](=O)[O-])c(OC(F)F)c1	301489935	AEUFYWNRWDSALE-VIFPVBQESA-N	286.278	3.575	5	50	CHBA	
Cc1cc(OCCCN2CCCCCC2)ccc1[N+](=O)[O-]	2839799	IGLVRWHWMYFUFH-UHFFFAOYSA-N	292.379	3.548	5	50	CHBA	
Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1	4901927	QAQUIVIJORWZTM-KGLIPLIRSA-N	296.326	3.645	5	50	CHBA	
CCOC(=O)c1ccc(Oc2cccc([N+](=O)[O-])c2)cc1	86577390	SIMJQIWXQVDJNY-UHFFFAOYSA-N	287.271	3.564	5	50	CHBA	
Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-]	102946	XLAZCOJKKUOINF-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=C(Nc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	240710	KVVNRXNSICWUSG-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1Cl	437574	LLNFMYOIIDAPSJ-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
C=Cc1ccc(C(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1	253416475	FKUALOMHXGQEDB-UHFFFAOYSA-N	282.299	3.514	5	50	CHBA	
Cc1cc(C(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-]	437597	JKNHTHAFYCOINQ-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=C(Nc1ccccc1[N+](=O)[O-])OC/C=C/c1ccccc1	4800033	OZCYFXADSJBCHE-RMKNXTFCSA-N	298.298	3.857	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C=CCCCC[C@@H]21	100482173	ZPANZFWPFCWZHP-QLFBSQMISA-N	286.331	3.526	5	50	CHBA	
CC1(C)CCC(O)=C(c2ncc([N+](=O)[O-])s2)C1	100694708	XPOQRKFJORZLST-UHFFFAOYSA-N	254.311	3.531	5	50	CHBA	
O=C(Nc1cccc(F)c1)Nc1ccc(F)c([N+](=O)[O-])c1	3086049	KIBBHFHHZFUFRA-UHFFFAOYSA-N	293.229	3.517	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCC[C@H](C)C1	228381	QQPFOHQPSUCHNZ-WDEREUQCSA-N	264.325	3.594	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccc(OCc2cccc(F)c2)cc1	615598	UIBISVNPSWRTES-CMDGGOBGSA-N	273.263	3.652	5	50	CHBA	
O[C@H]1c2c(cc3ccc4cccc5ccc2c3c45)CC[C@H]1O	39279062	HWHYAMCEKZOBEK-OXQOHEQNSA-N	288.346	3.925	5	50	CHBA	
O=[N+]([O-])c1ccccc1CN[C@@H]1CCCc2ccccc21	292741	LSFDTNIDCYJSIL-MRXNPFEDSA-N	282.343	3.762	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2csc(N3CCCCC3)n2)cc1	305892	IEIZATWRWBHFOF-UHFFFAOYSA-N	289.360	3.709	5	50	CHBA	
Cc1cc(C)cc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1	496712	ZTPBGRBOHQTMTP-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
Cc1ccccc1Sc1ccc(C(=O)O)cc1[N+](=O)[O-]	1058300	HXAMNVUCVOWPRU-UHFFFAOYSA-N	289.312	3.753	5	50	CHBA	
COC(=O)c1cc2ccc3ccc(N)c4ccc(c1)c2c34	431629	CTGSLOHYWGHNCS-UHFFFAOYSA-N	275.307	3.953	5	50	CHBA	
Cc1nnc(Sc2ccc(Cl)cc2[N+](=O)[O-])s1	4842966	OCCIXOHJQIZKSG-UHFFFAOYSA-N	287.753	3.559	5	50	CHBA	
O=[N+]([O-])c1ccc(NCc2ccccc2)c2ncccc12	3880717	VVLKQFFPLKRFDB-UHFFFAOYSA-N	279.299	3.755	5	50	CHBA	
CC[C@H]1c2ccccc2CCN1c1ccc([N+](=O)[O-])cn1	301253077	DWCUQDYOMAJAOM-HNNXBMFYSA-N	283.331	3.504	5	50	CHBA	
C[C@H]1C[C@@H](C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C1	4988442	MLIFNSQYMKISJW-CCSSQEOUSA-N	274.364	3.586	5	50	CHBA	
COc1ccc(Cl)cc1CNc1cccc([N+](=O)[O-])c1	4865718	JMJYNJQECLGYCT-UHFFFAOYSA-N	292.722	3.869	5	50	CHBA	
O=[N+]([O-])c1ccccc1CN[C@H]1CCCc2ccccc21	292744	LSFDTNIDCYJSIL-INIZCTEOSA-N	282.343	3.762	5	50	CHBA	
Cc1ccc(Sc2ccc(C(=O)O)cc2[N+](=O)[O-])cc1	92131	XXUBZSQLPIRCFW-UHFFFAOYSA-N	289.312	3.753	5	50	CHBA	
O=Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(Cl)c1	4739221	WAJKXZVSUOJIKU-UHFFFAOYSA-N	291.690	3.640	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C=CCCCC[C@@H]12	17920894	ZPANZFWPFCWZHP-RRFJBIMHSA-N	286.331	3.526	5	50	CHBA	
O=[N+]([O-])c1cc(CO)ccc1Sc1ccc(Cl)cc1	1405590	IJTHYJDLZWJVRZ-UHFFFAOYSA-N	295.747	3.892	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2nc(-c3ccccn3)cs2)cc1	170606702	RHTRFBOLVIWXHO-UHFFFAOYSA-N	283.312	3.780	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2noc(CCC3CCCC3)n2)cc1	618084	YAMGADGRYZOEGY-UHFFFAOYSA-N	287.319	3.768	5	50	CHBA	
Cc1ccc(-c2cc(-c3ccccc3[N+](=O)[O-])[nH]n2)c(O)c1	13126651	ISGWAECIAOMLHH-UHFFFAOYSA-N	295.298	3.666	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2nc(=S)c3c(o2)CCCC3)c1	67590	TZDPXNLFUVRVKY-UHFFFAOYSA-N	288.328	3.858	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1	60268	DZRVTHXSGBTDPB-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
Cc1cc(F)ccc1NCc1ccccc1[N+](=O)[O-]	293482	LLCLJJUVMRHIPN-UHFFFAOYSA-N	260.268	3.654	5	50	CHBA	
O=[N+]([O-])c1ccc(Sc2ccc(Cl)cc2)nc1	92513	TWDGRPSAURHHTJ-UHFFFAOYSA-N	266.709	3.794	5	50	CHBA	
Nc1cc(Sc2ccc(Cl)cc2)cc([N+](=O)[O-])c1	373209	XNTJKAAHSIFLNE-UHFFFAOYSA-N	280.736	3.982	5	50	CHBA	
CN(C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccccc1	4987649	UFUUFCDTWBSUSW-YRNVUSSQSA-N	296.370	3.783	5	50	CHBA	
C=Cc1ccc(-c2ccc(C=O)cc2[N+](=O)[O-])cc1	725241578	ZXUIICNGBKFGQZ-UHFFFAOYSA-N	253.257	3.717	5	50	CHBA	
COC(=O)c1cccc2cc3cccc(C(=O)OC)c3cc12	2379565	ALYSIEHCBBJETD-UHFFFAOYSA-N	294.306	3.566	5	50	CHBA	
O=[N+]([O-])c1ccccc1NC12CC3CC(CC(C3)C1)C2	4708886	QHBZIJTYURZGOY-UHFFFAOYSA-N	272.348	3.976	5	50	CHBA	
O=[N+]([O-])c1cccc(/C=C/c2nc3ccccc3[nH]2)c1	3845343	FGIQAVBDULQHRW-CMDGGOBGSA-N	265.272	3.642	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCCCC2)cc1N1CCCCC1	5223932	PQKPUBVDVNZAAX-UHFFFAOYSA-N	289.379	3.575	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1Cl	4804212	QOJKFCBCLBYATC-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1cc(Cl)c2c([N+](=O)[O-])cc(C)c(C)c2n1	4776760	FWKBFOODRPIMOS-UHFFFAOYSA-N	250.685	3.722	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C/c2ccc(F)cc2)c([N+](=O)[O-])c1	2170524	ZHRHBLNZGWXYGZ-DAFODLJHSA-N	288.234	3.813	5	50	CHBA	
Cc1noc(/C=C\c2cn(C)c3ccccc23)c1[N+](=O)[O-]	4811112	HEFDAHIIIZVIHQ-FPLPWBNLSA-N	283.287	3.553	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c(C)c1	5014096	IYOKZTIWWBRTMW-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc2nc(-c3ccccc3)nc(Cl)c2c1	165724547	VGAUTHHLHUBXQG-UHFFFAOYSA-N	285.690	3.858	5	50	CHBA	
Fc1cccc2nc3cc(Br)ccc3nc12	1848350228	JXHKYMDYUKOJHW-UHFFFAOYSA-N	277.096	3.685	5	50	CHBA	
O=C(Nc1cccc(F)c1)Nc1cc([N+](=O)[O-])ccc1F	2173633	CCVWIBNMNZENDG-UHFFFAOYSA-N	293.229	3.517	5	50	CHBA	
O=[N+]([O-])c1ccc(NC2CCCC2)c(Br)c1	4049755	DOOOOVMWFSSHHK-UHFFFAOYSA-N	285.141	3.712	5	50	CHBA	
COc1ccc(C)cc1NCc1ccc([N+](=O)[O-])cc1	263250	GYPACXNURUHROI-UHFFFAOYSA-N	272.304	3.524	5	50	CHBA	
Cc1nc(C(C)C)oc1COc1ccc([N+](=O)[O-])cc1	253424579	HZKVWPIYQAPATR-UHFFFAOYSA-N	276.292	3.594	5	50	CHBA	
COC(=O)c1cccc2ccc3cccc(C(=O)OC)c3c12	402499	NFLMOBWVQTWVJO-UHFFFAOYSA-N	294.306	3.566	5	50	CHBA	
O=[N+]([O-])c1ccc(Oc2nccc3ccccc23)cc1	5332283	SKZYFVSZYJKRDS-UHFFFAOYSA-N	266.256	3.935	5	50	CHBA	
Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])c(C)c1C	4917831	JQWGHCADJXCFAM-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=Cc1cc([N+](=O)[O-])ccc1Sc1ccc(F)cc1	6845359	HZYUWCHYUSOBOT-UHFFFAOYSA-N	277.276	3.698	5	50	CHBA	
COCc1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C	195180	XIGFCTDYKQUJCT-UHFFFAOYSA-N	296.326	3.900	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)cc1	431952	HAZHRRGNJAGZCE-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])c(Cl)c1	123778274	ZVEHKXDWVFJMID-UHFFFAOYSA-N	272.688	3.595	5	50	CHBA	
O=c1oc2c(ccc3c(O)cccc32)c2c1CCCC2	1237938	RJMGRGVAXQHCTH-UHFFFAOYSA-N	266.296	3.531	5	50	CHBA	
CC(C)c1c2cnn(C)c2nc2c1oc1cc(O)ccc12	253404201	HSMZCZUTTPJWBA-UHFFFAOYSA-N	281.315	3.697	5	50	CHBA	biogenic
Cc1ccc(Sc2cc(N)cc([N+](=O)[O-])c2)cc1	374090	ULHRWSHZTLQPLA-UHFFFAOYSA-N	260.318	3.637	5	50	CHBA	
Cc1ccc(NC(=O)Nc2ccccc2)cc1[N+](=O)[O-]	369758	FKJPAJQKSZPBRS-UHFFFAOYSA-N	271.276	3.547	5	50	CHBA	
Cn1c2ccccc2c2nc3ccc([N+](=O)[O-])cc3cc21	3878778	YXVMEWLMLVCRSM-UHFFFAOYSA-N	277.283	3.788	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2ccnc(C(F)F)c2)c1	725273706	WLCWZRFWLRRWKI-UHFFFAOYSA-N	250.204	3.594	5	50	CHBA	
O=[N+]([O-])c1cc(O)ccc1SC1CCCCC1	616582679	YVEAHGLPRCHSKN-UHFFFAOYSA-N	253.323	3.725	5	50	CHBA	
CC[N+](CC)(CC)CCCCC[N+](CC)(CC)CC	1622103	NAOPLBVQLUZMQA-UHFFFAOYSA-N	272.521	3.910	5	50	CHBA	
CC[C@@H]([C@H](Nc1ccccc1)c1ccccc1)[N+](=O)[O-]	187271	WRADNUIDLCNSHF-JKSUJKDBSA-N	270.332	3.895	5	50	CHBA	
O=[N+]([O-])c1cc2c(c([N+](=O)[O-])c1)C=Cc1ccccc1O2	2025085	NOHKLRGEWUCJIL-UHFFFAOYSA-N	284.227	3.779	5	50	CHBA	biogenic
O=[N+]([O-])c1ccc(CNc2ccc(Cl)cc2)s1	280076	GISUBDYIFAJEQD-UHFFFAOYSA-N	268.725	3.922	5	50	CHBA	
Cc1c(Cl)cccc1NC(=O)c1ccccc1[N+](=O)[O-]	59117	AWRJVWQKTWXMQR-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
C[C@@H]1CCCC[C@@H]1OC(=O)Nc1cccc([N+](=O)[O-])c1	2171337	OHOACKGMJCAJNW-MFKMUULPSA-N	278.308	3.722	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1/C=C/Br	685964722	SRWOYQHCLIVAAT-ONEGZZNKSA-N	296.042	3.979	5	50	CHBA	
CCc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1	2521054	XTGSXTFRMJNWKS-UHFFFAOYSA-N	298.342	3.842	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C\c2ccccn2)c(Cl)c1	4558742	ZGNOYHYMNCLMBP-XQRVVYSFSA-N	260.680	3.814	5	50	CHBA	
O=[N+]([O-])c1cccc(NC(=S)Nc2ccccc2F)c1	619135	KIZAJVIBLQRRNT-UHFFFAOYSA-N	291.307	3.543	5	50	CHBA	
CCN(C(=O)/C=C/c1cccc([N+](=O)[O-])c1)c1ccccc1	237203	TWRCMGFYUXAHGS-VAWYXSNFSA-N	296.326	3.661	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)Oc1ccccc1	4775429	GWQIQBAKORTYPV-UHFFFAOYSA-N	292.678	3.859	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC1CCCCC1	317266	NHVHMSBNRDKOPV-UHFFFAOYSA-N	276.336	3.812	5	50	CHBA	
Cc1cc(C(=O)Nc2ccccc2Cl)ccc1[N+](=O)[O-]	436588	YWOMLXFUELLNPP-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CCOc1ccc([N+](=O)[O-])c(NCc2ccccc2)c1	85477005	NJFNWYJJQKLSQT-UHFFFAOYSA-N	272.304	3.606	5	50	CHBA	in-vitro
C[C@@H](/C=C/c1ccccc1)OC(=O)c1ccc([N+](=O)[O-])cc1	3080868	GXXBDZAGQLEVES-GWJCSSMESA-N	297.310	3.854	5	50	CHBA	
O=C(Nc1ccccc1)c1ccc(Cl)c([N+](=O)[O-])c1	1682066	MPSDMWLZVDJFGW-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
CC(C)c1ccccc1NC(=O)c1cccc([N+](=O)[O-])c1	311716	NKPVGWIQERGJQL-UHFFFAOYSA-N	284.315	3.971	5	50	CHBA	
CC(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4893510	AJSMSMVKSJUVOL-UHFFFAOYSA-N	284.315	3.971	5	50	CHBA	
O=C(Nc1cccc(F)c1)c1ccc([N+](=O)[O-])cc1Cl	40844	UQOMOPBNOFSPIK-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CCN(C(=O)c1ccccc1[N+](=O)[O-])c1ccccc1C	272763	REVUAIZFDKWOPK-UHFFFAOYSA-N	284.315	3.570	5	50	CHBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1	4377641	QRNARETZUBLMFL-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O[C@H]1CCc2cc3ccc4cccc5ccc(c2[C@@H]1O)c3c45	6094734	HWHYAMCEKZOBEK-OXJNMPFZSA-N	288.346	3.925	5	50	CHBA	in-vitro
Cn1c2ccccc2c(=O)c2sc3ccccc3c21	39044007	ATWGXYAUDNNZFU-UHFFFAOYSA-N	265.337	3.906	5	50	CHBA	
CC(C)[C@@H]1N(c2ncc([N+](=O)[O-])cc2F)CC12CCCC2	408463778	CSYMAYOVWHEJSO-ZDUSSCGKSA-N	293.342	3.534	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@@H](C)C1	292993	QQPFOHQPSUCHNZ-MNOVXSKESA-N	264.325	3.594	5	50	CHBA	
CSc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	1738786	YCYPAHIKFNPUHJ-UHFFFAOYSA-N	288.328	3.569	5	50	CHBA	
CCCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])cc1	261494443	XRXLFOHKYIMEFU-UHFFFAOYSA-N	280.324	3.746	5	50	CHBA	
CC(C)(C)c1cc(N)c([N+](=O)[O-])c(C(C)(C)C)c1	7023218	DYNNAHNMQURCKO-UHFFFAOYSA-N	250.342	3.772	5	50	CHBA	
Nc1cc(SC2CCCCC2)cc([N+](=O)[O-])c1	5936365	WARDSNBFFKRZAZ-UHFFFAOYSA-N	252.339	3.602	5	50	CHBA	
Cc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)c1	455429	PCXYSOBSSAPRTP-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=C(O)c1sccc1SCc1ccc([N+](=O)[O-])cc1	3883180	GXIYZTHOYHYVQA-UHFFFAOYSA-N	295.341	3.647	5	50	CHBA	
CCOc1ccc2c(c1)c1nc3ccccc3nc1n2C	72641	WLPPFFUTPHYQPQ-UHFFFAOYSA-N	277.327	3.673	5	50	CHBA	
Cc1cc(NC(=O)CCc2ccccc2)c([N+](=O)[O-])cc1C	4949568	IOZHIGSHWTXDNH-UHFFFAOYSA-N	298.342	3.783	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2nnc(-c3ccco3)o2)c(Cl)c1	276099	AUVNMQQZUDAKOH-UHFFFAOYSA-N	291.650	3.558	5	50	CHBA	
Cc1ccc(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	471307	CWJVZTJGMNDMGG-UHFFFAOYSA-N	295.298	3.544	5	50	CHBA	
O=c1c2c(O)cc(O)cc2oc2ccc3ccccc3c12	28655183	DPSVULZFFRWBMZ-UHFFFAOYSA-N	278.263	3.511	5	50	CHBA	
Cc1ccccc1-c1noc(-c2ccc([N+](=O)[O-])cc2)n1	208101	ZVRZLRISWZPOQW-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=C(Nc1ccccc1F)c1ccc(Cl)c([N+](=O)[O-])c1	258955	LFVDTQDEYCZBHG-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
Cc1ccc(OCc2ccccc2F)cc1[N+](=O)[O-]	4868579	FLOYSXFBPSUECE-UHFFFAOYSA-N	261.252	3.621	5	50	CHBA	
Cc1cc([N+](=O)[O-])cc(C(=O)N[C@H](C)CCC(C)C)c1F	170610061	KTYMEUJRGUHECI-LLVKDONJSA-N	296.342	3.597	5	50	CHBA	
Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=O)c1cccs1	4670561	DRRQQJSMURXGGY-UHFFFAOYSA-N	296.735	3.870	5	50	CHBA	
Cc1cc(C(=O)NC2CCCCCCC2)ccc1[N+](=O)[O-]	4646340	WLLJRHWLHZLCOQ-UHFFFAOYSA-N	290.363	3.746	5	50	CHBA	
CC(C)CN(CC(C)C)C(=O)Nc1cccc([N+](=O)[O-])c1	611862	WSYLRGRHZLHDAT-UHFFFAOYSA-N	293.367	3.741	5	50	CHBA	
Cc1cc(OC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl	1862194	NNZJBPWLORXXGF-UHFFFAOYSA-N	291.690	3.776	5	50	CHBA	
O=[N+]([O-])c1ccc(OCc2cccc(F)c2)c(Cl)c1	3866595	SFTHVDYRPHJAND-UHFFFAOYSA-N	281.670	3.966	5	50	CHBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	3845364	RNXMAPTUJXBOFX-UHFFFAOYSA-N	273.248	3.555	5	50	CHBA	biogenic
O=[N+]([O-])c1ccc(-c2ccc(F)c(F)c2F)cc1	725272605	RJCODSGYRDNKOY-UHFFFAOYSA-N	253.179	3.679	5	50	CHBA	
Cc1cccc(C)c1NC(=O)Nc1cccc([N+](=O)[O-])c1	2156296	TXBMSMSCAVRZRN-UHFFFAOYSA-N	285.303	3.856	5	50	CHBA	
O=[N+]([O-])c1ccccc1NCc1ccccc1Cl	4052621	DRQPRDPGSQDAMA-UHFFFAOYSA-N	262.696	3.860	5	50	CHBA	
CC(C)CCC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	2988488	NOLQMVUASNBIPC-GFCCVEGCSA-N	278.352	3.539	5	50	CHBA	
CC(=O)Oc1c2ccccc2c(OC(C)=O)c2ccccc12	2810011	RURGWVZQAKAYDM-UHFFFAOYSA-N	294.306	3.844	5	50	CHBA	biogenic,in-vitro
Cc1cc([N+](=O)[O-])c(OC(C)C)cc1-c1ccncc1	95835408	FGDOUMVPHJHSCK-UHFFFAOYSA-N	272.304	3.752	5	50	CHBA	in-vitro
Cc1c(NC(=O)Nc2ccccc2)cccc1[N+](=O)[O-]	358209	LLUMMGGWVZOTLX-UHFFFAOYSA-N	271.276	3.547	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)cc1	431940	FSPKOPHLWSHNNU-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
Oc1ncc2ccc3c4cc(Cl)ccc4[nH]c3c2n1	498049297	GRTOPYSKHIMUSW-UHFFFAOYSA-N	269.691	3.623	5	50	CHBA	
Cc1cccc(C(=O)Nc2ccccc2Cl)c1[N+](=O)[O-]	464449	NBPNGJFVEJMSHB-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(C[C@H]2CC2(Cl)Cl)c([N+](=O)[O-])c1	1205164	XKKUBJIEUFUNCK-VIFPVBQESA-N	260.120	3.640	5	50	CHBA	
CC(C)Sc1nc2ccc([N+](=O)[O-])cc2s1	447433	GNAGMYMLIJFNEN-UHFFFAOYSA-N	254.336	3.705	5	50	CHBA	
COc1cc(Cl)c(Cl)c(Cl)c1[N+](=O)[O-]	71783063	HATHLIRXYIRZRO-UHFFFAOYSA-N	256.472	3.564	5	50	CHBA	
Cc1ccc(C)c(Oc2cc(N)cc([N+](=O)[O-])c2)c1	2549467	OBXVPNQBYLCEAA-UHFFFAOYSA-N	258.277	3.586	5	50	CHBA	
CC(C)(C)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1	170601940	KKVDVUJBUBYPGJ-LLVKDONJSA-N	298.770	3.642	5	50	CHBA	
O=[N+]([O-])c1cc(C23CC4CC(CC(C4)C2)C3)ccc1O	20256427	DPVIOSXCEWUDET-UHFFFAOYSA-N	273.332	3.768	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccc(Nc2nc(-c3ccncc3)cs2)cc1	4123320	NPWWQWYGAYPBEC-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
CC1(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	312965	BKJNLQTWGOCIEF-UHFFFAOYSA-N	296.326	3.899	5	50	CHBA	
Cc1cccc(-c2nc3cc([N+](=O)[O-])ccc3o2)c1	313068	YTIRRQOOPVMGTA-UHFFFAOYSA-N	254.245	3.711	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Oc1ccccc1	451430	JISLPEFHWQXBTQ-UHFFFAOYSA-N	272.260	3.514	5	50	CHBA	
CC(C)(C)OC(=O)c1ccc(OC(C)(C)C)c([N+](=O)[O-])c1	255190748	ZEMPJOPTZVBAET-UHFFFAOYSA-N	295.335	3.727	5	50	CHBA	
O=[N+]([O-])c1ccc(CNC2CCCCCCC2)cc1	2881928	VAYMJEKWCYGVAT-UHFFFAOYSA-N	262.353	3.797	5	50	CHBA	
O=[N+]([O-])c1c(Oc2ccccc2Cl)nc2sccn12	1395925	HIEYGFFWOCKPBZ-UHFFFAOYSA-N	295.707	3.750	5	50	CHBA	
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1	290718	URTZKYQLKQHAFO-IZZDOVSWSA-N	282.299	3.555	5	50	CHBA	
CC(C)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	128528	ILZBKIQIXKBKNG-UHFFFAOYSA-N	284.315	3.971	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-]	102021	KYRACTJBDWNWFP-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1NCc1ccccc1	4663257	HEIRQJHDFYXJON-UHFFFAOYSA-N	297.358	3.807	5	50	CHBA	
Cc1cccc([N+](=O)[O-])c1NC(=O)c1cccc(Cl)c1	4795724	CDLJFIGCNZARPC-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1cc(=O)oc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc12	301066331	QRBYWJMPNMMLMY-UHFFFAOYSA-N	297.266	3.802	5	50	CHBA	
Cc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1C	439073	PTHZDVRONJBODY-UXBLZVDNSA-N	296.326	3.864	5	50	CHBA	
COc1ccc2c(c1)c(Cl)c1ccc(Cl)cc1[n+]2[O-]	5329757	OAHZTBYYIDJQRR-UHFFFAOYSA-N	294.137	3.942	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCCC2)cc1N1CCCCCC1	4740927	SPYMIWWTONUMMT-UHFFFAOYSA-N	289.379	3.575	5	50	CHBA	
CC(C)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	148931451	CMZCPVDVWDKTCS-UHFFFAOYSA-N	263.215	3.648	5	50	CHBA	
Cc1c([N+](=O)[O-])c2ccc(O)cc2n1-c1ccccc1	294164	XDPAIPMOMWBKEL-UHFFFAOYSA-N	268.272	3.553	5	50	CHBA	
CSc1nc2ccccc2n1Cc1cccc([N+](=O)[O-])c1	544652	GIUCGILNULGOTJ-UHFFFAOYSA-N	299.355	3.715	5	50	CHBA	
Cc1ccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1	432207	TXPPWEVTRFRCJR-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
C[C@H](CCc1ccccc1)Nc1ccc(N)cc1[N+](=O)[O-]	225815538	XHBGQIQQWHLTST-GFCCVEGCSA-N	285.347	3.610	5	50	CHBA	
O=[N+]([O-])c1ccccc1Nc1c(F)cccc1F	40186609	SEWMPFVBNMCYHI-UHFFFAOYSA-N	250.204	3.617	5	50	CHBA	
Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	238545	CKUPBZFXOMREFB-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1ccc(OC(F)F)c(Cl)c1Cl	263623493	HXVAYHLELNMIMZ-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
CN(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1	288690	BANNHAORIHODIK-UHFFFAOYSA-N	290.706	3.525	5	50	CHBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	103035	AQSZRRKBBHRMMN-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])c1ccc(OCc2nc3ccccc3s2)cc1	4247742	ZSHZNRFCKBFYET-UHFFFAOYSA-N	286.312	3.784	5	50	CHBA	
Cc1nc2c(ccc3ccccc32)c(O)c1CN1CCCC1	8700855	IKNLDEIGESDFCK-UHFFFAOYSA-N	292.382	3.998	5	50	CHBA	
CCN(CC)c1cc(N(CC)CC)c([N+](=O)[O-])cc1Cl	5194492	UUIRKGSCYOKGFD-UHFFFAOYSA-N	299.802	3.941	5	50	CHBA	
O=Cc1ccc(Oc2cccc(Cl)c2)c([N+](=O)[O-])c1	167787	FLWAMJZFOINMFU-UHFFFAOYSA-N	277.663	3.853	5	50	CHBA	
CC(C)COc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	261493787	JEWQAKNTTTYPMV-UHFFFAOYSA-N	263.215	3.648	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1F	4699645	PLLPZGHFQKAGOY-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
O=[N+]([O-])c1ccc(Sc2ccccn2)c(Cl)c1	472180	XLOWLZLIGWLAPQ-UHFFFAOYSA-N	266.709	3.794	5	50	CHBA	
CCC[C@@]1([N+](=O)[O-])c2ccccc2-c2ccc([N+](=O)[O-])cc21	4532358	HBZNMTIZYWWENA-MRXNPFEDSA-N	298.298	3.896	5	50	CHBA	
CCCSc1[nH]c2cc(OC)ccc2c1[N+](=O)[O-]	2842848	WULOIWUHKRBSKJ-UHFFFAOYSA-N	266.322	3.587	5	50	CHBA	
CC(C)(C)c1cccc(-c2ccc([N+](=O)[O-])nc2)c1	725269222	GRQMNCPYCBMHPC-UHFFFAOYSA-N	256.305	3.954	5	50	CHBA	
O=[N+]([O-])c1ccc(/C(=C/c2ccccc2)[n+]2ccccc2)o1	6343903	UIPMLNWIIOFWBC-SQFISAMPSA-N	293.302	3.522	5	50	CHBA	
CCOc1ccccc1CNc1cccc([N+](=O)[O-])c1	4855817	XHKPWPCMLQOIMF-UHFFFAOYSA-N	272.304	3.606	5	50	CHBA	
O=[N+]([O-])c1ccccc1CNc1ccc2c(c1)CCC2	280155	GUFZHPSNMZMJRK-UHFFFAOYSA-N	268.316	3.696	5	50	CHBA	
Cc1ccc(NC(=O)Nc2ccccc2)c([N+](=O)[O-])c1	4041157	UALLTSVOFWIKGT-UHFFFAOYSA-N	271.276	3.547	5	50	CHBA	
Cc1cc(Cl)ccc1OC(=O)c1ccccc1[N+](=O)[O-]	131495	KJEACGHIPNLLHD-UHFFFAOYSA-N	291.690	3.776	5	50	CHBA	
CC(C)CCn1c(=O)c2ccccc2c2ccccc2c1=O	203424	NDIHULUEHHAOBD-UHFFFAOYSA-N	293.366	3.561	5	50	CHBA	
O=C(Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1	286702	XBCZXHOQARAWTL-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
O=[N+]([O-])c1ccccc1Nc1nc(-c2ccccn2)cs1	5065266	LATFHWBNXVCGCA-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
C/C(=C/c1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C	4592583	KXBOLEVDGASJMO-RAXLEYEMSA-N	296.326	3.945	5	50	CHBA	
Cc1ccc(NC(=O)N(C)C2CCCCC2)cc1[N+](=O)[O-]	2172209	NYIABPBCLJHVQK-UHFFFAOYSA-N	291.351	3.700	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)ccc1[S@@](=O)Cc1ccccc1	5769206	QVBGKTCCLFJSGR-LJQANCHMSA-N	295.747	3.556	5	50	CHBA	
COc1ccc2c(CO)cc3cc(OC)c(OC)cc3c2c1	139526477	QAEVXOPQWYSOSR-UHFFFAOYSA-N	298.338	3.511	5	50	CHBA	
CCn1c2ccc([N+](=O)[O-])cc2c2cc([N+](=O)[O-])ccc21	3129834	XMYZULFVNDPXLC-UHFFFAOYSA-N	285.259	3.631	5	50	CHBA	
CCCCOc1ccc([N+](=O)[O-])c(C(F)(F)F)c1	148845702	NQJHOGKKJNSVJH-UHFFFAOYSA-N	263.215	3.793	5	50	CHBA	
Cc1cccc(C)c1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	294273	MRWXAPDOJMNNSW-MDZDMXLPSA-N	296.326	3.864	5	50	CHBA	
O[C@@H]1CCc2cc3ccc4cccc5ccc(c2[C@H]1O)c3c45	39279063	HWHYAMCEKZOBEK-UZLBHIALSA-N	288.346	3.925	5	50	CHBA	
Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1[N+](=O)[O-]	465449	DPDFDARTAPQXBI-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CCCOc1ccc2c(c1)oc(=O)c1ccccc12	1940076	VDYDOOKXVVGCRM-UHFFFAOYSA-N	254.285	3.735	5	50	CHBA	biogenic
Cc1cc(C(=O)N[C@H](C)CCCC(C)C)ccc1[N+](=O)[O-]	2774016	SAVRTMYYEKSCJT-CYBMUJFWSA-N	292.379	3.848	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(F)c(OCc2ccccc2)c1	261493616	FYDDKJLHRIEGQQ-UHFFFAOYSA-N	281.670	3.966	5	50	CHBA	
Cc1ccc(C)c(OCc2ccc([N+](=O)[O-])cc2)c1	614344	ROCVWDHBLSOSKD-UHFFFAOYSA-N	257.289	3.791	5	50	CHBA	
O=[N+]([O-])c1ccc([C@@H]2OCCc3ccc(Cl)cc32)cc1	139812375	SQIJUBRIDNBRQV-HNNXBMFYSA-N	289.718	3.910	5	50	CHBA	
COc1ccc([C@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1	315957	BWZOHFWHBDXMRA-INIZCTEOSA-N	296.326	3.585	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccc(Cl)c1	4670391	SHXNELVAUVADIA-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=C(CCC1CCCCC1)Nc1cccc([N+](=O)[O-])c1	310956	UOWSAHQQCZSBGL-UHFFFAOYSA-N	276.336	3.894	5	50	CHBA	
Cc1nn(-c2ccccc2)c2cc(Cl)c([N+](=O)[O-])cc12	2472494	XMMHCQQIAHZDBD-UHFFFAOYSA-N	287.706	3.896	5	50	CHBA	
O=C(CCC1CCCC1)Nc1ccccc1[N+](=O)[O-]	4893177	TUTRCUDFLZIRAC-UHFFFAOYSA-N	262.309	3.504	5	50	CHBA	
O=[N+]([O-])c1cccc(Nc2nc(-c3ccncc3)cs2)c1	190409	QANMJMQOUDSJOQ-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
O=C(Nc1ccc(F)c(Cl)c1)c1cccc([N+](=O)[O-])c1	311705	DICLQAGVWPBNGB-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CCCCN(CC)C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	2743492	UMPJUJXBBANMIN-UHFFFAOYSA-N	284.743	3.510	5	50	CHBA	
CCCC[C@@H](CC)CNC(=O)c1cccc(C)c1[N+](=O)[O-]	2832843	HFXHWOZIETVDBT-CYBMUJFWSA-N	292.379	3.849	5	50	CHBA	
Cc1cc([N+](=O)[O-])c(NC2CCCCC2)c([N+](=O)[O-])c1	3877746	ITNZSTRESIXIHL-UHFFFAOYSA-N	279.296	3.556	5	50	CHBA	
O=[N+]([O-])c1cccc(CN2CCC[C@H]3CCCC[C@@H]32)c1	4987913	RTZGVAHKUUQAEU-ZBFHGGJFSA-N	274.364	3.749	5	50	CHBA	
CC(C)(C)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cn2)cc1	4881526	OWSXNEMGBYMIDB-UHFFFAOYSA-N	299.330	3.540	5	50	CHBA	aggregator
Cc1cc(F)c(NC(=O)c2sccc2C)cc1[N+](=O)[O-]	408515910	MNBDTKSIVJYFMR-UHFFFAOYSA-N	294.307	3.665	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccon2)c(Cl)c1	1775990554	NCJHRZDUPOAXAD-CYBMUJFWSA-N	293.710	3.578	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(Cl)cc1C(F)(F)F	2560316	MMUARSWOJRDXBV-UHFFFAOYSA-N	259.998	3.920	5	50	CHBA	
CC1=NN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1	4017595	AZTNKGFJYVATPK-MRXNPFEDSA-N	281.315	3.922	5	50	CHBA	
C[C@H]1Cc2ccccc2N1C(=O)Nc1ccc([N+](=O)[O-])cc1	4986182	WSYPHLUKVJOJQM-NSHDSACASA-N	297.314	3.578	5	50	CHBA	
Cc1ccc(NC(=O)Oc2ccccc2F)c([N+](=O)[O-])c1	4799771	LNYHDQBRVFCHHQ-UHFFFAOYSA-N	290.250	3.653	5	50	CHBA	
CCCN(CCC)C(=O)Nc1c(C)cccc1[N+](=O)[O-]	4792857	YSGHLDQAWXYSLS-UHFFFAOYSA-N	279.340	3.557	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)/C=C/c1cccs1	4893633	PEQWELNPJTYWAK-FNORWQNLSA-N	288.328	3.617	5	50	CHBA	
CCc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1	311200	FYAHTBQHIYMUTC-UHFFFAOYSA-N	284.315	3.718	5	50	CHBA	
Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1F	5041470	HQHJYKHMRLXHLZ-UHFFFAOYSA-N	289.266	3.686	5	50	CHBA	
O=C(Nc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl	39173	DNTSIBUQMRRYIU-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	biogenic,in-vivo
O=[N+]([O-])c1ccc(Cl)cc1NCc1ccccc1	4662568	QNBUOSQMMPVAOB-UHFFFAOYSA-N	262.696	3.860	5	50	CHBA	
Cc1cccc2c(C(=O)O)c3cccc(C)c3nc12	4087069	LDRZBMBJYZPRFT-UHFFFAOYSA-N	251.285	3.703	5	50	CHBA	
CC(C)(C)OC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	75290376	COQVMYXZGQDMFV-UHFFFAOYSA-N	272.688	3.595	5	50	CHBA	
Cc1ccc(C)c(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1	514708	HFQCQJJPPNSMMK-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCCc3ccccc32)cc1[N+](=O)[O-]	3878527	WBGSGFZNXULLAO-UHFFFAOYSA-N	299.286	3.587	5	50	CHBA	
O=[N+]([O-])c1cccc(CN[C@H]2CCCc3ccccc32)c1	4777350	YGDUKMKCNPONLJ-KRWDZBQOSA-N	282.343	3.762	5	50	CHBA	
CCCCN(CCCC)C(=O)c1cccc([N+](=O)[O-])c1C	2742719	NHDQEYQOXCUVLG-UHFFFAOYSA-N	292.379	3.946	5	50	CHBA	
Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-]	2875050	GBJKHQNPFOEXBG-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
CC(C)(C)Oc1cc(Br)ccc1[N+](=O)[O-]	38537604	OBNMIXKTQATJQY-UHFFFAOYSA-N	274.114	3.535	5	50	CHBA	in-vitro
CCCN(CCC)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	4583066	JPHQVNBAINTBCF-UHFFFAOYSA-N	299.758	3.902	5	50	CHBA	
O=[N+]([O-])c1cc(Br)cc2ccccc12	346154	SYUKHFBRPMIOTK-UHFFFAOYSA-N	252.067	3.511	5	50	CHBA	in-vitro
Cc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1C	617653	GDRVUOHULUVLFK-UHFFFAOYSA-N	298.342	3.897	5	50	CHBA	
Cc1cc([N+](=O)[O-])cc(C(=O)N[C@@H](C)CCC(C)C)c1F	170610060	KTYMEUJRGUHECI-NSHDSACASA-N	296.342	3.597	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1csc(C)c1C	4804894	IPIXAQYBXNHXMU-UHFFFAOYSA-N	290.344	3.834	5	50	CHBA	
O[C@H]1CCCN(Cc2c3ccccc3cc3ccccc23)C1	4988533	KEEPUOQJKDMRFV-KRWDZBQOSA-N	291.394	3.950	5	50	CHBA	aggregator
CC(C)(C)OC(=O)Nc1cc(Cl)c(F)cc1[N+](=O)[O-]	35635905	OSIGQJOBXWXDQR-UHFFFAOYSA-N	290.678	3.734	5	50	CHBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1	3877604	NMIGHKOKFLYOKP-UHFFFAOYSA-N	287.275	3.863	5	50	CHBA	
O=C(CC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1	4803521	LFRLPDONGUYBPI-UHFFFAOYSA-N	262.309	3.504	5	50	CHBA	
COC(=O)c1ccc2ccc3ccc(N)c4ccc1c2c34	433512	VEORGTCFMUFMRK-UHFFFAOYSA-N	275.307	3.953	5	50	CHBA	
CC(=O)[C@@H](C)Oc1ccc2c(oc(=O)c3ccccc32)c1C	501114	PBGVVXOPIXJLHN-GFCCVEGCSA-N	296.322	3.611	5	50	CHBA	biogenic
CC1(C)c2cc([N+](=O)[O-])ccc2-c2ccc([N+](=O)[O-])cc21	2144588	CBSLXBIBKABAGC-UHFFFAOYSA-N	284.271	3.809	5	50	CHBA	
Cc1cc(C)c2nc3nc(C)cc(C)c3c(N)c2c1	241011	ZNPSDSMZKLWRLO-UHFFFAOYSA-N	251.333	3.599	5	50	CHBA	
Cc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	456662	YAHRMDKLABSJKX-UHFFFAOYSA-N	275.691	3.788	5	50	CHBA	
Cc1nn(Cc2cccc3ccccc23)c(C)c1[N+](=O)[O-]	1426620	INUUTXPMSJHREG-UHFFFAOYSA-N	281.315	3.610	5	50	CHBA	
Cc1cc(C)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c(C)c1	2141659	SAKYMAFCTJRXQO-UHFFFAOYSA-N	299.326	3.877	5	50	CHBA	
CCC[C@@]1(COC)CCCN1c1ccc(F)cc1[N+](=O)[O-]	170615563	SRUSQLKCVIDIBG-HNNXBMFYSA-N	296.342	3.519	5	50	CHBA	
Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1C	471781	QKXISELKWRUJMU-UHFFFAOYSA-N	257.289	3.791	5	50	CHBA	
O=[N+]([O-])c1ccc(NCc2c[nH]c3ccccc23)cc1	5572483	BXBBGUHDXADCOZ-UHFFFAOYSA-N	267.288	3.688	5	50	CHBA	
CCCCNCCCCCOc1ccccc1[N+](=O)[O-]	2899479	XQWGVZUWXPYMJR-UHFFFAOYSA-N	280.368	3.534	5	50	CHBA	
CC(C)(C)OC(=O)Nc1cccc(Cl)c1[N+](=O)[O-]	95931318	LTYCCHVOEJTXGY-UHFFFAOYSA-N	272.688	3.595	5	50	CHBA	in-vitro
Cc1ccc2oc(-c3ccccc3[N+](=O)[O-])cc(=O)c2c1	13801438	NUAFVBSVIMQSHZ-UHFFFAOYSA-N	281.267	3.677	5	50	CHBA	
O=[N+]([O-])c1ccccc1CNC12CC3CC(CC(C3)C1)C2	4685543	SFPKHJFWKKYYJX-UHFFFAOYSA-N	286.375	3.653	5	50	CHBA	
CC(C)(C)Nc1ccc([N+](=O)[O-])cc1OC(F)(F)F	74937739	DJNGJEYVRZPVIX-UHFFFAOYSA-N	278.230	3.704	5	50	CHBA	in-vitro
Cc1cc(C)cc(OC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	129689	ARNMXZQVTOMDGJ-VOTSOKGWSA-N	297.310	3.830	5	50	CHBA	
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2C=O)cc1	153675	UTYFHCKVUPSOLA-UHFFFAOYSA-N	273.313	3.867	5	50	CHBA	
Cc1ccc(Oc2ccc(C=O)cc2[N+](=O)[O-])cc1	3883525	IJROCTSVYNQYGY-UHFFFAOYSA-N	257.245	3.508	5	50	CHBA	
O=[N+]([O-])c1cc(Br)c(F)cc1C(F)(F)F	261493887	LITRJNDEZMOHAK-UHFFFAOYSA-N	287.994	3.515	5	50	CHBA	
Cc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	63834	AFRDKACFAZSLOM-JXMROGBWSA-N	282.299	3.555	5	50	CHBA	
CCN(C(=O)c1cccc([N+](=O)[O-])c1C)C1CCCCC1	67800	LSQZYSPNOMIWKI-UHFFFAOYSA-N	290.363	3.698	5	50	CHBA	
Cc1c(Cl)cccc1NC(=O)c1ccc([N+](=O)[O-])cc1	63640	OZWIWRJYNXKEBT-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=C(Nc1cccc(Cl)c1)c1ccccc1[N+](=O)[O-]	121143	XANFSSUIZIYTAQ-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
CCc1ccc2c(c1)c1nc3ccccc3nc1n2C	202916	IHMBHCXWROGQNC-UHFFFAOYSA-N	261.328	3.837	5	50	CHBA	
O=C(CSc1ccc([N+](=O)[O-])cc1)c1ccccc1	1680482	MSDOBISTMBKIFE-UHFFFAOYSA-N	273.313	3.570	5	50	CHBA	
O[C@H]1CCc2cc3ccc4cccc5ccc(c2[C@H]1O)c3c45	6094759	HWHYAMCEKZOBEK-JXFKEZNVSA-N	288.346	3.925	5	50	CHBA	
CCc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	463619	FSCGHJPBJXEAPI-UHFFFAOYSA-N	295.298	3.874	5	50	CHBA	
O=C(O)c1cc(-c2cc(F)cc(Cl)c2)cc([N+](=O)[O-])c1	77031523	HSAOKQBFTYPNDF-UHFFFAOYSA-N	295.653	3.753	5	50	CHBA	in-vitro
Cc1cc(Cl)ccc1NC(=O)c1cccc([N+](=O)[O-])c1	271652	ZWGQSOKQBNLCGJ-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	467178	VZNJBIOVKCJPDP-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
CCCN(C(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1	195475105	CDLUQPOGWLOGGG-UHFFFAOYSA-N	280.324	3.746	5	50	CHBA	
Cc1c(NC(=O)/C=C/c2ccccc2)cccc1[N+](=O)[O-]	438025	UDMOPPAHTIIPEO-ZHACJKMWSA-N	282.299	3.555	5	50	CHBA	
CCCCN(CCCC)C(=O)c1ccccc1[N+](=O)[O-]	5309070	LCYSHSQGFRSEPL-UHFFFAOYSA-N	278.352	3.637	5	50	CHBA	
CCCNCc1ccc(-c2ccc([N+](=O)[O-])cc2)s1	236864062	VPFIGNWWYNMUFK-UHFFFAOYSA-N	276.361	3.823	5	50	CHBA	
CN(C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	102838	WSRQXHGTRLMDTE-UHFFFAOYSA-N	290.706	3.525	5	50	CHBA	
COC(=O)CCCc1c2ccccc2nc2ccccc12	3877699	LUXCFYTWVSSZOB-UHFFFAOYSA-N	279.339	3.884	5	50	CHBA	
O=[N+]([O-])c1ccc(F)c(-c2cc(F)ccc2F)c1	675070113	PTMDTSNVLVWNCI-UHFFFAOYSA-N	253.179	3.679	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccc(OCc2ccccc2F)cc1	476256	CLMFHASRSQJEPD-MDZDMXLPSA-N	273.263	3.652	5	50	CHBA	
CCCOc1c(Cl)cc([N+](=O)[O-])cc1Cl	261493482	BYSWAUMXSINRJZ-UHFFFAOYSA-N	250.081	3.690	5	50	CHBA	
Cc1cc(Cl)c([N+](=O)[O-])cc1OCc1cccnc1	261494258	SVWSJJJHKNGUIR-UHFFFAOYSA-N	278.695	3.531	5	50	CHBA	
CCCCNc1cc(F)c(Br)cc1[N+](=O)[O-]	65336896	MADGKUFFNLQJMI-UHFFFAOYSA-N	291.120	3.708	5	50	CHBA	in-vitro
O=C(Nc1ccc(F)cc1)c1ccc(Cl)cc1[N+](=O)[O-]	288680	FGPVHNBGUQWFAV-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
Cc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1	103118	PCTYWHPBLLIODL-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(Cl)cc1	4695619	AQOLTEPSVITUJK-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
COC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1Cl	97757308	KDLWDMODVKGEFK-UHFFFAOYSA-N	291.690	3.702	5	50	CHBA	
Cc1cccc(COc2ccc(/C=C/[N+](=O)[O-])cc2)c1	615565	LAWXXRYUDGIIQX-MDZDMXLPSA-N	269.300	3.821	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NCc1cc(F)ccc1F	4982160	BNECCIBEPFPLRD-UHFFFAOYSA-N	278.258	3.794	5	50	CHBA	
Cc1ccc([N+](=O)[O-])c(OCCCCN2CCCCC2)c1	4869354	OMQTVBCUSBTGGH-UHFFFAOYSA-N	292.379	3.548	5	50	CHBA	
O=[N+]([O-])c1cc(O)cc(Nc2nc3ccccc3s2)c1	2170669	SLRPRAZHBPRYES-UHFFFAOYSA-N	287.300	3.654	5	50	CHBA	
COC(=O)c1ccccc1Sc1cccc([N+](=O)[O-])c1	71771671	WBOHGWKVDMKTIV-UHFFFAOYSA-N	289.312	3.533	5	50	CHBA	
O=C(O)c1ccc(Oc2ccc([N+](=O)[O-])cc2Cl)cc1	3156701	YFUKKDHQNQQUJI-UHFFFAOYSA-N	293.662	3.739	5	50	CHBA	
COC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl	97757163	UXSOWNXLOAHFTJ-UHFFFAOYSA-N	291.690	3.702	5	50	CHBA	
O=Cc1[nH]c2ccccc2c1Nc1ccc([N+](=O)[O-])cc1	5073538	FFUSCPQVEJMTEU-UHFFFAOYSA-N	281.271	3.632	5	50	CHBA	
O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccccc1	463720	SLDJHSKMBZMZBZ-UHFFFAOYSA-N	299.329	3.504	5	50	CHBA	
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	102097	VIQSGUZRECTJEM-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1cc(C)c(NC(=O)c2ccccc2[N+](=O)[O-])c(C)c1	435701	DDODLNHDFDQCJG-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
Cc1ccc(NC(=O)CCCc2ccccc2)cc1[N+](=O)[O-]	372930	TWYAVLSTPPIRBG-UHFFFAOYSA-N	298.342	3.865	5	50	CHBA	
O=[N+]([O-])c1ccccc1Nc1ccc(F)cc1F	4933957	WMLCAYVRBXFGDX-UHFFFAOYSA-N	250.204	3.617	5	50	CHBA	in-vitro
C[C@H](C(=O)N[C@H](C)c1ccccc1)c1ccc([N+](=O)[O-])cc1	471224	UPXXSWQIWOPHAP-QWHCGFSZSA-N	298.342	3.576	5	50	CHBA	
CCCN(CCC)c1c(Cl)cccc1[N+](=O)[O-]	238791134	JRPTWNDAZOPFLK-UHFFFAOYSA-N	256.733	3.875	5	50	CHBA	
CCCOc1cccc(CNc2cccc([N+](=O)[O-])c2)c1	4858710	OCLMQUVZMQUIKY-UHFFFAOYSA-N	286.331	3.996	5	50	CHBA	
CCC[N+]1(CCCCCC[N+](C)(C)C)CCCCC1	606422215	OFOMQDGQMRATDZ-UHFFFAOYSA-N	270.505	3.664	5	50	CHBA	
CC(=O)CCc1c(C)[nH]c2c(ccc3ccccc32)c1=O	16676239	DDIQFHUFBSUGOD-UHFFFAOYSA-N	279.339	3.511	5	50	CHBA	
COc1ccc(C)cc1NCc1ccccc1[N+](=O)[O-]	263792	SYSPQFQVPGHGTA-UHFFFAOYSA-N	272.304	3.524	5	50	CHBA	
Cc1c(OC(=O)C2CC2)ccc2c1oc(=O)c1ccccc12	457484	GOGSCAUCIYFVKV-UHFFFAOYSA-N	294.306	3.570	5	50	CHBA	
C[C@H](C(=O)NC1CCCCCC1)c1ccc([N+](=O)[O-])cc1	471809	XNHIWFGUASLCQD-LBPRGKRZSA-N	290.363	3.537	5	50	CHBA	
CC(C)c1ccc(NC(=O)Cc2ccccc2[N+](=O)[O-])cc1	184101	JZMMCJKPGXNRRB-UHFFFAOYSA-N	298.342	3.899	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2noc(CCC3CCCC3)n2)c1	618331	DSHNAKNLHSWFGH-UHFFFAOYSA-N	287.319	3.768	5	50	CHBA	
CC[C@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	3137136	MNAALDAFPOJOIU-LURJTMIESA-N	258.661	3.670	5	50	CHBA	
Cc1ccc(C)c(NCc2cccc([N+](=O)[O-])c2)c1	436795	IKJXJRYNKDTWHS-UHFFFAOYSA-N	256.305	3.824	5	50	CHBA	
O=C(Oc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	38496	HCOVQZMTFULNHV-UHFFFAOYSA-N	293.278	3.967	5	50	CHBA	
CNc1ccc2nc3ccc(N(C)C)cc3[s+]c2c1	4366043	VBFJMDUNUIVOMH-UHFFFAOYSA-N	270.381	3.838	5	50	CHBA	biogenic,in-vitro
C[N+](C)(C)CCC(=O)c1ccc(Oc2ccccc2)cc1	401611	FJPMPQYGCNBUBR-UHFFFAOYSA-N	284.379	3.758	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)ccc1OCc1ccccc1	1617601	NMMNCUOEMZBSLG-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
CCCCCCOc1ccc([N+](=O)[O-])c(F)c1F	261494348	VNDXPMVEVWSKFB-UHFFFAOYSA-N	259.252	3.832	5	50	CHBA	
O=[N+]([O-])c1cccc(CN2CCC[C@@H]3CCCC[C@H]32)c1	229911551	RTZGVAHKUUQAEU-GOEBONIOSA-N	274.364	3.749	5	50	CHBA	
CCCCN(CCCC)C(=O)c1ccc(C)c([N+](=O)[O-])c1	5419406	DKXJINGJIBJNOW-UHFFFAOYSA-N	292.379	3.946	5	50	CHBA	
O=[N+]([O-])c1cnc2ccc(Br)cc2c1Cl	12896182	KHKPVEMMXJCWGP-UHFFFAOYSA-N	287.500	3.559	5	50	CHBA	
Cc1ccc(-c2ccc(C=O)cc2[N+](=O)[O-])c(C)c1	675073684	MRWZJAOJAGRABY-UHFFFAOYSA-N	255.273	3.691	5	50	CHBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc(Cl)c1	437630	IMCXEABYULATDP-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1	370814	KDFHXRRTIMOTRR-OAHLLOKOSA-N	298.342	3.784	5	50	CHBA	
C[n+]1c(/C=C/c2cccc([N+](=O)[O-])c2)sc2ccccc21	4042391	MEMPPCGVAMKFNC-MDZDMXLPSA-N	297.359	3.804	5	50	CHBA	
O=Cc1cc([N+](=O)[O-])ccc1Sc1ccccc1	153671	XWIWOASJHKVEKI-UHFFFAOYSA-N	259.286	3.559	5	50	CHBA	
Cc1cc(C(=O)Oc2ccc(Cl)cc2)ccc1[N+](=O)[O-]	436590	KFISMFUSDXSHMY-UHFFFAOYSA-N	291.690	3.776	5	50	CHBA	
C[C@@H]([C@@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-]	1667284	ZISZMLQGFYEQMF-XJKSGUPXSA-N	283.327	3.708	5	50	CHBA	
O=[N+]([O-])c1cnc(C2=C(O)[C@@H]3CCCC[C@H]3CC2)s1	100693464	FECZATKIVHNOMQ-DTWKUNHWSA-N	280.349	3.921	5	50	CHBA	
OC[C@@H]1CCC[N@@+]2(Cc3ccc(Cl)cc3)CCCC[C@H]12	253389805	IJDFDCJKZVZTEL-KVSKMBFKSA-N	294.846	3.612	5	50	CHBA	biogenic
O=[N+]([O-])c1ccccc1CNc1ccc(F)c(Cl)c1	280150	VXCKNVBXPCASKQ-UHFFFAOYSA-N	280.686	3.999	5	50	CHBA	
O=[N+]([O-])c1ccc(CSc2nc3ccccc3[nH]2)cc1	58783	GQKNIBASRJXHPJ-UHFFFAOYSA-N	285.328	3.763	5	50	CHBA	
CCCCN(CC)C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	2992876	QSCBNQRINOGXAN-UHFFFAOYSA-N	284.743	3.510	5	50	CHBA	
O=C(CSc1ccccc1[N+](=O)[O-])c1ccccc1	2164725	WGTPNGJGENUDBI-UHFFFAOYSA-N	273.313	3.570	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(Br)c(Cl)c1	40571613	OPOMBXSGXKFMGY-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	
Cc1cc(-c2ccccc2[N+](=O)[O-])n(-c2ccccc2)n1	71772777	PFNPVQJPLOUXKO-UHFFFAOYSA-N	279.299	3.756	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2ccc(F)c(F)c2F)cc1F	725272323	OVYXKVUJCAINKE-UHFFFAOYSA-N	271.169	3.818	5	50	CHBA	
Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3)n2)cc1	436172	COLUDPXQBLWWFE-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1cccc(C(F)(F)F)c1C(F)(F)F	2540306	KQLZVFGJPNEGOH-UHFFFAOYSA-N	259.105	3.632	5	50	CHBA	
O=C(NCCC1=CCCCC1)Nc1ccc([N+](=O)[O-])cc1	5041675	PSUBSMPPNNWPAP-UHFFFAOYSA-N	289.335	3.607	5	50	CHBA	
O=[N+]([O-])c1ccc(CNCCc2cccc(Cl)c2)cc1	19720709	KEWBPZRHOBHMMN-UHFFFAOYSA-N	290.750	3.581	5	50	CHBA	
CCCc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cs1	1053663	DSHYXOLOHWUCCY-UHFFFAOYSA-N	290.344	3.861	5	50	CHBA	
Cc1ccc2c(N)c(-c3ccccc3[N+](=O)[O-])sc2n1	4719107	IWXBZFNLIHNNJN-UHFFFAOYSA-N	285.328	3.762	5	50	CHBA	
CC(C)[N+](C)(C)CCCCCCC[N+](C)(C)C(C)C	1775964985	OYCZAQCOYGFWCH-UHFFFAOYSA-N	272.521	3.907	5	50	CHBA	
C[C@H]1CC2(CCCC2)NCc2cc([N+](=O)[O-])ccc21	267358	CTJWWKKHMRXOJA-NSHDSACASA-N	260.337	3.504	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)ccc1NCCc1ccccc1	20512561	LFUHURIYLBVPAJ-UHFFFAOYSA-N	276.723	3.903	5	50	CHBA	
Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1F	610460	NEIPSEBALZZPPR-UHFFFAOYSA-N	289.266	3.686	5	50	CHBA	
Cc1cc(N[C@H]2CCCC23CCOCC3)ccc1[N+](=O)[O-]	225635691	HGPHVZANLDUIBZ-HNNXBMFYSA-N	290.363	3.664	5	50	CHBA	
Cc1ccc(NC(=O)CCC2CCCC2)c([N+](=O)[O-])c1	4652556	OUMKFUGCVLBNMN-UHFFFAOYSA-N	276.336	3.812	5	50	CHBA	
C[C@H](Nc1ncc([N+](=O)[O-])cc1Cl)c1cccc(O)c1	122772121	HTYJDLSZZZZIDI-QMMMGPOBSA-N	293.710	3.522	5	50	CHBA	
O=C(CNc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	2870187	MNGOMNIXNSLHMK-UHFFFAOYSA-N	290.706	3.543	5	50	CHBA	
O=[N+]([O-])c1cc2c3c(ccc4c3c1CCC4)CCC2	6094348	KVZSMBRWPWEQHJ-UHFFFAOYSA-N	253.301	3.725	5	50	CHBA	in-vitro
Cc1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1[N+](=O)[O-]	300948	DFDDCJNNUNSRLF-LSDHHAIUSA-N	296.326	3.645	5	50	CHBA	
Cc1ccc(C(=O)N[C@@H](C)CCCC(C)C)cc1[N+](=O)[O-]	2988613	QRNLLNGHLNMNCS-ZDUSSCGKSA-N	292.379	3.848	5	50	CHBA	
O=[N+]([O-])c1ccc(Br)c(C(F)(F)F)c1F	94986223	BLZIPKYFWXKJNI-UHFFFAOYSA-N	287.994	3.515	5	50	CHBA	in-vitro
Cc1ccc(Cl)cc1NC(=O)c1cccc([N+](=O)[O-])c1	335677	XCIDZDUXIOIHMB-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(-c2nnc(-c3ccc(C)c([N+](=O)[O-])c3)o2)cc1	434482	OUCLACHQPUSAOI-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
O=[N+]([O-])c1ccccc1Oc1ccc(C(F)(F)F)cn1	471320	ATRPCLLZGQONOF-UHFFFAOYSA-N	284.193	3.801	5	50	CHBA	
O=[N+]([O-])c1ccc(CNc2ccc3c(c2)CCC3)s1	279799	KVFXJCLDWWRGHE-UHFFFAOYSA-N	274.345	3.757	5	50	CHBA	
Cc1ccc(NC(=O)[C@H]2C[C@H]2c2ccccc2)c([N+](=O)[O-])c1	4901929	QAQUIVIJORWZTM-KBPBESRZSA-N	296.326	3.645	5	50	CHBA	
Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)cc1	85361	RRXDZGCLUKCMCC-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=C(CNc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	446362	KFIZDDJSMIAPJG-UHFFFAOYSA-N	290.706	3.543	5	50	CHBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CCC1CCCC1	4892779	BOTOAJUGRWRTAI-UHFFFAOYSA-N	292.335	3.512	5	50	CHBA	
Cc1cc2nc3ccc(N(C)C)cc3[s+]c2cc1N	4217587	RQNADZJRELIICT-UHFFFAOYSA-N	270.381	3.687	5	50	CHBA	world
O=[N+]([O-])c1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1	4306434	AUEPCLFFCRPVTJ-IZZDOVSWSA-N	293.282	3.815	5	50	CHBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(Cl)cc1	2166225	QRLQJBLRGHBJRN-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
O=S(=O)(O)c1ccc2ccc3cccc4ccc1c2c34	2558008	DLOBKMWCBFOUHP-UHFFFAOYSA-N	282.320	3.831	5	50	CHBA	
C[C@H]1C[C@H](C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C1	4988445	MLIFNSQYMKISJW-MPCGPATOSA-N	274.364	3.586	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2noc(C3CCCCC3)n2)c1	85401	WQLIQMGJEJUWCQ-UHFFFAOYSA-N	273.292	3.693	5	50	CHBA	in-vitro
CC(C)N(C(=O)c1cc([N+](=O)[O-])ccc1Cl)C(C)C	451859	XQAVSBLJMQESAQ-UHFFFAOYSA-N	284.743	3.507	5	50	CHBA	
O=C(O)c1cc2cc3ccc4oc(C(=O)O)cc4c3cc2o1	1617353	IPFSIVVOJSEJOL-UHFFFAOYSA-N	296.234	3.729	5	50	CHBA	in-vitro
O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(Cl)cc1	7610250	FDCAQRFRFKUGRT-UHFFFAOYSA-N	277.663	3.853	5	50	CHBA	
O=[N+]([O-])c1ccccc1[S@](=O)Cc1ccccc1Cl	5764239	URCBHRZVAYSSII-IBGZPJMESA-N	295.747	3.556	5	50	CHBA	
CCC[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	373403	WFIDQERFJAORPY-QMMMGPOBSA-N	270.716	3.623	5	50	CHBA	
CC[C@@H]1CCCCN1C/C=C/c1ccccc1[N+](=O)[O-]	4612449	POPOFVNWGIWNGF-LOWQCSRCSA-N	274.364	3.873	5	50	CHBA	
O=[N+]([O-])c1cccc(CNc2ccc3c(c2)CCC3)c1	280007	WRCBXIRPZUQVIG-UHFFFAOYSA-N	268.316	3.696	5	50	CHBA	
Cc1ccccc1/C(=C\c1ccccc1[N+](=O)[O-])C(=O)O	19878658	MLSKTVMSALZUQQ-GXDHUFHOSA-N	283.283	3.528	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1Cc1c(F)cc(F)cc1F	315108	JFCIWLSXDZLJAQ-UHFFFAOYSA-N	281.233	3.911	5	50	CHBA	
Cc1ccc(NC(=O)[C@H](C)c2ccc([N+](=O)[O-])cc2)cc1C	471771	YNVNEXMQJDDTRV-CYBMUJFWSA-N	298.342	3.954	5	50	CHBA	
CO[C@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	4557354	GBDHCPARITZTJQ-OAHLLOKOSA-N	257.289	3.525	5	50	CHBA	
O=c1c2cc(Cl)ccc2oc2ccc([N+](=O)[O-])cc12	32269993	TUDDRRQTAGXRQI-UHFFFAOYSA-N	275.647	3.508	5	50	CHBA	
CC(=O)Nc1cc(Oc2cccc(C)c2)cc([N+](=O)[O-])c1	432670	NRQAVNLXDYPFON-UHFFFAOYSA-N	286.287	3.654	5	50	CHBA	
Cc1nnc(Oc2ccc([N+](=O)[O-])cc2)c2ccccc12	274087	RIUSHQQEYWLWDR-UHFFFAOYSA-N	281.271	3.639	5	50	CHBA	
O=[N+]([O-])c1cccc(N2COc3ccc(Cl)cc3C2)c1	99419	WUEOSYWQBYNEPC-UHFFFAOYSA-N	290.706	3.605	5	50	CHBA	
O=[N+]([O-])c1ccc(CNc2ccc(F)c(F)c2)s1	757114	MUHMKBLNLJRUKD-UHFFFAOYSA-N	270.260	3.547	5	50	CHBA	
Cc1ccc(C)c(NC(=O)c2ccc(F)cc2[N+](=O)[O-])c1	283151	XGHAOIDRIDCAPD-UHFFFAOYSA-N	288.278	3.603	5	50	CHBA	
O=C(O)c1c2ccccc2nc2c1oc1cc(O)ccc12	4369183	LGWDQMQGODEEQS-UHFFFAOYSA-N	279.251	3.538	5	50	CHBA	
O=C(CSC1CCCCC1)Nc1cccc([N+](=O)[O-])c1	41546	DOBUVUNXVIABDZ-UHFFFAOYSA-N	294.376	3.599	5	50	CHBA	
c1ccc(C[N+]2(Cc3ccccc3)CCC3(CC2)CO3)cc1	3106207	GPGLPSWDFIUHAZ-UHFFFAOYSA-N	294.418	3.766	5	50	CHBA	
O=[N+]([O-])c1cc2c3c(c[nH]c3c1)Cc1ccccc1O2	1425509	WTMQCPCAXZSAQR-UHFFFAOYSA-N	266.256	3.773	5	50	CHBA	
Cc1ccc(NC(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	19798628	YAZODKIUIOZDRJ-UHFFFAOYSA-N	286.287	3.652	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21	4725413	DKUDKGYLUVJVFM-UHFFFAOYSA-N	297.314	3.580	5	50	CHBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1	357713	FZDNNZQRJIMJLJ-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=C(SCc1ccccc1)c1ccc([N+](=O)[O-])cc1	4831693	SBFNWRBKWDOVKL-UHFFFAOYSA-N	273.313	3.668	5	50	CHBA	
O=C(OCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1	515221	XHKVHONUELAUPU-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
CCCOc1cc(Br)c(Cl)cc1[N+](=O)[O-]	95494771	XTLCURYXRFGOMK-UHFFFAOYSA-N	294.532	3.800	5	50	CHBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)c1	466820	LFBCJXLMWJCDSZ-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
O=[N+]([O-])c1ccc(Sc2cccc([N+](=O)[O-])c2)cc1	2532485	APMIWAGHJNZECP-UHFFFAOYSA-N	276.273	3.654	5	50	CHBA	
O=[N+]([O-])c1ccc(Nc2cccc(Cl)c2)c([N+](=O)[O-])c1	4582327	YLMKHXBXDKWQSO-UHFFFAOYSA-N	293.666	3.900	5	50	CHBA	
CC(C)N(Cc1ccccc1)C(=O)c1ccc([N+](=O)[O-])cc1	67946	WOIOOHBTONFDSI-UHFFFAOYSA-N	298.342	3.646	5	50	CHBA	
O=[N+]([O-])c1ccc2oc(-c3ccc(F)cc3)nc2c1	454980	BMVAMJRWKRILRK-UHFFFAOYSA-N	258.208	3.542	5	50	CHBA	
Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	5799238	SFXBNOMJHSLYON-UHFFFAOYSA-N	272.348	3.645	5	50	CHBA	
Cc1cccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3o2)c1	193326	ONXQMCJAPYPNAB-UHFFFAOYSA-N	296.282	3.902	5	50	CHBA	
Cc1c(Cl)cccc1NC(=O)c1cccc([N+](=O)[O-])c1	335535	YGUCYNRFLCIZDX-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1cccs1	449803	KLVOPZRORVEUQP-VOTSOKGWSA-N	288.328	3.617	5	50	CHBA	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1	4530676	WDPJOUSERAPPNV-SNVBAGLBSA-N	287.275	3.676	5	50	CHBA	
CCCCOc1cc([N+](=O)[O-])cc(Cl)c1OCC	261493497	CGAYGOCCPZECKJ-UHFFFAOYSA-N	273.716	3.826	5	50	CHBA	
Cc1cccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)c1	447620	DWOSBZPVMQIJMT-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
Cc1cc(C)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1	5041801	CDUAHUQZOXDZBJ-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1	6272330	XVUMPLBXMRXIAX-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1	478404	GJTVVFZZFQCZBB-UHFFFAOYSA-N	282.299	3.861	5	50	CHBA	
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)c([N+](=O)[O-])c1	4901926	QAQUIVIJORWZTM-ZIAGYGMSSA-N	296.326	3.645	5	50	CHBA	
CCOC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)cc1F	85477026	ATHJINAANWODPS-UHFFFAOYSA-N	289.262	3.578	5	50	CHBA	in-vitro
CC(C)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1	242149	YWWIWGSDOMMPIE-UHFFFAOYSA-N	284.315	3.971	5	50	CHBA	
COc1ccc2cc3ccccc3c(OC(C)=O)c2c1	404837	GCTLCPYRVDVRBP-UHFFFAOYSA-N	266.296	3.927	5	50	CHBA	
O=C(Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1	103288	CMPTUSXHSQAMGT-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	biogenic
Cc1cccc(Sc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	2173332	ZFUXCPNPTZFIDB-UHFFFAOYSA-N	290.300	3.963	5	50	CHBA	
CN(C)c1c2ccccc2nc2c1[nH]c1ccccc12	34508693	JAWKQTZSKKZROU-UHFFFAOYSA-N	261.328	3.935	5	50	CHBA	
CC(=O)c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(F)c1	3884180	GZXXNVJLTKMPLI-UHFFFAOYSA-N	289.262	3.516	5	50	CHBA	
CCN(Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1	4776640	DFOGYANOLSFMRN-UHFFFAOYSA-N	299.330	3.649	5	50	CHBA	
O=C(Nc1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	242391	ISPRTADXNDRREI-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CC[C@H](c1ccncc1)N(C)/C=C/c1ccc([N+](=O)[O-])o1	225847467	XNHNZMCOAQPZQD-BMGYJQCNSA-N	287.319	3.637	5	50	CHBA	
Cc1ccc(C)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	437811	HZHVEGOSEMPXNH-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=C(OCc1ccccc1Cl)c1ccc([N+](=O)[O-])cc1	471561	DNKALBOXAVIAME-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
O=[N+]([O-])c1c(Cl)cc(Cl)cc1OC(F)F	263622834	BHNAIWIMHGSISS-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
Cc1ccc(Sc2ccc(/C=C/[N+](=O)[O-])o2)cc1	450865	HLJWEDOEKQPSKX-CMDGGOBGSA-N	261.302	3.987	5	50	CHBA	
O=[N+]([O-])c1cccc(CSc2nc3ccccc3[nH]2)c1	91914	YHIXOGCJHQORFX-UHFFFAOYSA-N	285.328	3.763	5	50	CHBA	
Cc1cccc2c(C(=O)O)c3oc4cc(O)ccc4c3nc12	19793815	HGUDPQLBUWIUHQ-UHFFFAOYSA-N	293.278	3.846	5	50	CHBA	
CCc1ccccc1NC(=O)/C=C/c1ccccc1[N+](=O)[O-]	463404	SBBFBWQCBUXRJN-VAWYXSNFSA-N	296.326	3.809	5	50	CHBA	
CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1	372723	SNLLXPIMPBDVLH-HNNXBMFYSA-N	284.315	3.727	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(C2=NCCc3ccccc32)c1	89192	BVXVFNQMNUUZBW-UHFFFAOYSA-N	286.718	3.642	5	50	CHBA	
Nc1ccc2nc3c4ccccc4c(=O)c(Cl)c-3oc2c1	22590977	RLMPGKBGVHQLSY-UHFFFAOYSA-N	296.713	3.682	5	50	CHBA	
Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1C	275573	SJUSWTVGSJPELZ-UHFFFAOYSA-N	256.305	3.824	5	50	CHBA	
CC(C)SCCCCOc1ccc([N+](=O)[O-])cc1	2497093	UFBVMIODHQFBKW-UHFFFAOYSA-N	269.366	3.895	5	50	CHBA	
Cc1noc(/C=C/c2c(F)cccc2Cl)c1[N+](=O)[O-]	4770744	XXJALFYXTKNCQR-AATRIKPKSA-N	282.658	3.854	5	50	CHBA	
Cc1cc(-c2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-]	87941	AAQICTXAAIBOCC-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1ccccc1N[C@H](c1cccnc1)C1CC1	242196985	XGSADAUXKXFEGY-HNNXBMFYSA-N	269.304	3.553	5	50	CHBA	
Cc1ccc(-c2nc(-c3cccs3)no2)cc1[N+](=O)[O-]	118571	IYSPBWMXDGTVOO-UHFFFAOYSA-N	287.300	3.682	5	50	CHBA	
COc1cc([N+](=O)[O-])ccc1NC(=O)CC1CCCCC1	6672868	KERKTXZFVZBBJH-UHFFFAOYSA-N	292.335	3.512	5	50	CHBA	
CCCCOc1ccc([N+](=O)[O-])cc1Br	74937711	GKSVZLWXYJLMNN-UHFFFAOYSA-N	274.114	3.536	5	50	CHBA	in-vitro
Cc1cc(C(=O)N[C@@H](C)CCCC(C)C)ccc1[N+](=O)[O-]	2774015	SAVRTMYYEKSCJT-ZDUSSCGKSA-N	292.379	3.848	5	50	CHBA	
FC(F)(F)c1nc2cc3nc4ccccc4nc3cc2[nH]1	3958739	VEVCWYBOXUICFH-UHFFFAOYSA-N	288.232	3.678	5	50	CHBA	
Cc1ccc(C)c(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	514705	NWTHLZRGNNBIID-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
CN1CCN(Cc2c3ccccc3cc3ccccc23)CC1	19632865	BUKARFUHGSNVLV-UHFFFAOYSA-N	290.410	3.740	5	50	CHBA	
Cc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	290722	VOWHVPQEXZWPDW-DHZHZOJOSA-N	282.299	3.555	5	50	CHBA	
CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1N	4087046	FHEAFSAWXGUQGP-UHFFFAOYSA-N	250.342	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc(C(F)(F)F)cc1OC1CCCC1	261494418	XCKWYCGVHSFPSF-UHFFFAOYSA-N	275.226	3.935	5	50	CHBA	
Cc1c(C=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	455083	GQUPKEBWAGURMU-UHFFFAOYSA-N	294.310	3.719	5	50	CHBA	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)c(Cl)c1	6272323	XOQGFMPANLBAMQ-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])C[C@@H](c1ccccc1)c1c[nH]c2ccccc12	53346	NTQBCZPFTAELGC-HNNXBMFYSA-N	266.300	3.577	5	50	CHBA	
COc1ccc(/C(=C/c2cccs2)[N+](=O)[O-])cc1	1848444215	WZXGJWUKGUADMY-LCYFTJDESA-N	261.302	3.532	5	50	CHBA	
O=[N+]([O-])c1c(SCc2ccccc2)nc2sccn12	1395906	KLYKLGGJVVEYDK-UHFFFAOYSA-N	291.357	3.596	5	50	CHBA	
Cc1cc(C)cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1	4671879	KXVNUATWHRJTLI-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc(OCc2ccccc2Cl)cc1	95253	LDIFYZGCGRNXGX-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
CCCC[C@@H](CC)CNC(=O)c1cccc([N+](=O)[O-])c1C	2749069	LOYMUVPTEBXLAB-CYBMUJFWSA-N	292.379	3.849	5	50	CHBA	
Cc1cc2c(cc1C)[C@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2	91731	QAUKYGUCLDVAMS-AWEZNQCLSA-N	296.326	3.686	5	50	CHBA	
Cc1ccc(NC(=O)/C=C/c2cccs2)cc1[N+](=O)[O-]	461485	VDGKVFORUPUMEZ-VOTSOKGWSA-N	288.328	3.617	5	50	CHBA	
Cc1cc(C)cc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	496713	JBNCVPTTWPXSCN-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
Cc1ccccc1-c1nc(-c2ccc([N+](=O)[O-])cc2)no1	455441	RZBFEFLNPBIGCO-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
COc1ccc2cc(Br)ccc2c1[N+](=O)[O-]	71973936	VQUIAHIZENASND-UHFFFAOYSA-N	282.093	3.519	5	50	CHBA	
O=Cc1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	167770	OZAXEINOFCSUHN-UHFFFAOYSA-N	277.663	3.853	5	50	CHBA	
Cc1cc(N[C@@H]2CCCC23CCOCC3)ccc1[N+](=O)[O-]	225635660	HGPHVZANLDUIBZ-OAHLLOKOSA-N	290.363	3.664	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NCc1c(F)cccc1F	4891845	IKLLUGVSDLANHW-UHFFFAOYSA-N	278.258	3.794	5	50	CHBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1C[C@H]2CC[C@H]1C2	101657375	YAHPQVICYROYKA-QXEWZRGKSA-N	294.738	3.623	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2csc(Nc3ccccn3)n2)c1	5590475	FKGISWGWEMFLHP-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
COC(=O)c1ccccc1Sc1ccc([N+](=O)[O-])cc1	136347	SDPCRPNICOJKLO-UHFFFAOYSA-N	289.312	3.533	5	50	CHBA	
C[C@@H]([C@H](CC(=O)c1ccccc1)c1ccccc1)[N+](=O)[O-]	1667286	ZISZMLQGFYEQMF-BBRMVZONSA-N	283.327	3.708	5	50	CHBA	
CSc1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-]	65947406	MCBLMFSSYJVZCX-UHFFFAOYSA-N	271.647	3.989	5	50	CHBA	
CC(C)C[N+](C)(C)CCCCC[N+](C)(C)CC(C)C	606422272	BDKAVKFVMHSWKD-UHFFFAOYSA-N	272.521	3.622	5	50	CHBA	
Fc1ccc2nc3cc(Br)ccc3nc2c1	1848350230	QQQFKJMBSPIPKJ-UHFFFAOYSA-N	277.096	3.685	5	50	CHBA	
Cc1cccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)c1C	446262	STJJHVNYJHEKLP-UHFFFAOYSA-N	298.342	3.897	5	50	CHBA	
O=[N+]([O-])/C=C/c1cccc(OCc2ccccc2)c1	1668103	XFBMDILDMJAPDU-MDZDMXLPSA-N	255.273	3.513	5	50	CHBA	
CCC(CC)C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	475572	XESSNEKCSGKPOG-UHFFFAOYSA-N	293.348	3.579	5	50	CHBA	
Cc1nnc(C)c2c(C)n(-c3cccc([N+](=O)[O-])c3)c(C)c12	313578	ZYJVKCJXEPEDGR-UHFFFAOYSA-N	296.330	3.562	5	50	CHBA	
Cc1cc2cc([N+](=O)[O-])ccc2n1Cc1ccccc1	200728	ZZGYMOCVPOMRLS-UHFFFAOYSA-N	266.300	3.906	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)Nc1ccccc1F	1752751	ZFFDZVHWFMKQBE-UHFFFAOYSA-N	289.266	3.686	5	50	CHBA	
Cc1ccccc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	101413	PNNAGVZWMTWFIP-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=C(CSc1ccccc1[N+](=O)[O-])OC1CCCCC1	469599	XWWMTUWIJCCOPH-UHFFFAOYSA-N	295.360	3.563	5	50	CHBA	
CC(C)(C)CNc1cc(N2CCCC2)ccc1[N+](=O)[O-]	4125010	AXOQMRPPZXKIDC-UHFFFAOYSA-N	277.368	3.653	5	50	CHBA	
O=c1c2c(oc3ccc4ccccc4c13)CCCC2	45069305	JSIDZQOMADVGNU-UHFFFAOYSA-N	250.297	3.825	5	50	CHBA	
CCCCNc1ccc([N+](=O)[O-])cc1Br	37131376	FLKLIBMSIJFKHS-UHFFFAOYSA-N	273.130	3.569	5	50	CHBA	
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c(CO)c1	8729756	MVOOLOJTIUWDEW-UHFFFAOYSA-N	279.679	3.533	5	50	CHBA	
C/C(=C/c1ccccc1)C(=O)Nc1cccc([N+](=O)[O-])c1C	4918271	ZQNJXNUBBVRAOM-QXMHVHEDSA-N	296.326	3.945	5	50	CHBA	
C[C@@H]1C[C@@H](C)CN(C/C=C/c2ccccc2[N+](=O)[O-])C1	4988449	MLIFNSQYMKISJW-VTGPQGOBSA-N	274.364	3.586	5	50	CHBA	
CC(C)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	129650	QXORLMQUYPIOPY-UHFFFAOYSA-N	285.299	3.937	5	50	CHBA	
CC[C@](C)(c1ccc(C(=O)c2ccccc2)cc1)[N+](=O)[O-]	2141644	WUIIDEQESTVYRL-QGZVFWFLSA-N	283.327	3.820	5	50	CHBA	
CCCOc1cc([N+](=O)[O-])cc(Cl)c1OC(C)C	261494018	OBHMLAFDLXOCLD-UHFFFAOYSA-N	273.716	3.824	5	50	CHBA	
CCCCCOc1ccc2nc3ccc(=O)cc-3oc2c1	4521772	ZPSOKQFFOYYPKC-UHFFFAOYSA-N	283.327	3.862	5	50	CHBA	in-vitro
Cc1ccc(C)c(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1	4719228	OVNKANXGGWMTIZ-UHFFFAOYSA-N	287.275	3.863	5	50	CHBA	
O=[N+]([O-])c1cc(F)c(OCc2ccccc2)c(Cl)c1	261493583	FCWKFYTURGEEPC-UHFFFAOYSA-N	281.670	3.966	5	50	CHBA	
COc1cc(Cl)ccc1-c1cccc([N+](=O)[O-])c1	85476832	XXTBLJLVGKEIBZ-UHFFFAOYSA-N	263.680	3.924	5	50	CHBA	in-vitro
CCCC1CCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	4822426	LPHVJKBVQMLKDM-UHFFFAOYSA-N	293.323	3.520	5	50	CHBA	
Cc1ccccc1-c1noc(-c2cccc([N+](=O)[O-])c2)n1	430468	ZGBMHQUNULGQBP-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1c(Cl)ccc(Cl)c1OC(F)F	263623115	DTTJJYRMROBZMH-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
Cc1ccc2ncnc(Nc3cccc([N+](=O)[O-])c3)c2c1	122209	AIXMUXOXHVQXEZ-UHFFFAOYSA-N	280.287	3.590	5	50	CHBA	
CC[C@@H](C)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	2562223	MNAALDAFPOJOIU-ZCFIWIBFSA-N	258.661	3.670	5	50	CHBA	
Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1C	462159	WPUXMAZDILKKJD-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
CSc1ccccc1C(=O)Nc1cccc([N+](=O)[O-])c1	1064807	QZJYKQRNIIEFFS-UHFFFAOYSA-N	288.328	3.569	5	50	CHBA	
Cc1c(NC(=O)c2ccc(F)cc2)ccc([N+](=O)[O-])c1C	4949348	WQFCXKQHZJODAR-UHFFFAOYSA-N	288.278	3.603	5	50	CHBA	
O=c1c2ccc3ccccc3c2oc2cc(O)cc(O)c12	30819577	OMSPMYABSZAPJV-UHFFFAOYSA-N	278.263	3.511	5	50	CHBA	
CC(C)[C@H]1N(c2ncc([N+](=O)[O-])cc2F)CC12CCCC2	408463777	CSYMAYOVWHEJSO-CYBMUJFWSA-N	293.342	3.534	5	50	CHBA	
CCC(C)(C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	373392	UWYHUSMFGFROOJ-UHFFFAOYSA-N	270.716	3.623	5	50	CHBA	
O=C1c2ccccc2-c2cc([N+](=O)[O-])cc3cccc1c23	4829795	IQECYNRTSSZPRQ-UHFFFAOYSA-N	275.263	3.959	5	50	CHBA	
O=[N+]([O-])c1ccc(NC2CCCCC2)c2ncccc12	3877847	DWLTWISKKJVCCS-UHFFFAOYSA-N	271.320	3.888	5	50	CHBA	
Cc1ccccc1-c1nc2cc([N+](=O)[O-])ccc2o1	4989623	TXEWLLVKKWOFJV-UHFFFAOYSA-N	254.245	3.711	5	50	CHBA	
Cc1ccc(C(=O)CCNc2cccc([N+](=O)[O-])c2)cc1	2522065	CVORBWGRDGYRQD-UHFFFAOYSA-N	284.315	3.588	5	50	CHBA	
CCCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F	261493470	BUXLKMJKDOXEKB-UHFFFAOYSA-N	281.205	3.932	5	50	CHBA	
Cc1ccc(NC(=O)c2sccc2C)cc1[N+](=O)[O-]	1002167	WSGKNENCCOTIEG-UHFFFAOYSA-N	276.317	3.525	5	50	CHBA	
C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)c1cnccn1	126554890	WFKYTDOWPOUASH-TWGQIWQCSA-N	275.695	3.599	5	50	CHBA	
CCc1ccc2nc3nc(C)cc(C)c3c(N)c2c1	19848791	KQHCYSPQLCJYQP-UHFFFAOYSA-N	251.333	3.544	5	50	CHBA	
O=C(c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1	265403	HGMZGSVPMAAXOO-UHFFFAOYSA-N	267.240	3.572	5	50	CHBA	
Cc1cccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c1	471205	ATBWNBNNTIIVHW-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1C(F)(F)F	2560319	BZKVUOHHNCMTLH-UHFFFAOYSA-N	259.105	3.632	5	50	CHBA	in-vitro
Cc1cc(N2CCc3ccccc3C2)c(F)cc1[N+](=O)[O-]	4624328	XOLVHJDDKHKIJM-UHFFFAOYSA-N	286.306	3.605	5	50	CHBA	
CC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](C)CC	376354	NVZVJFIPMRHUFI-RYUDHWBXSA-N	278.352	3.634	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1ccccn1	4998780	OPLGQFFDPNSIOD-UHFFFAOYSA-N	297.236	3.621	5	50	CHBA	
Cc1cc([N+](=O)[O-])c(F)c(OCc2ccccc2)c1F	261494223	SDEACBQYMIBSMW-UHFFFAOYSA-N	279.242	3.760	5	50	CHBA	
Cc1cc(C)cc(NCc2ccccc2[N+](=O)[O-])c1	293199	DPLNSFFNFIKLFP-UHFFFAOYSA-N	256.305	3.824	5	50	CHBA	
Cc1ccccc1/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O	1746882	UFLVGXRNGJVBOD-GDNBJRDFSA-N	283.283	3.528	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1c(F)cccc1Cl	255930	ICMMCRGERHMFGZ-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
O=C(Nc1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F	1753517	MBSGIHAHILZHNN-UHFFFAOYSA-N	293.229	3.517	5	50	CHBA	
CC[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1	4833990	JRUUGAOJLLAWEQ-HNNXBMFYSA-N	284.315	3.727	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2nc(=S)c3c(o2)CCCC3)cc1	306377	QZRQOAJTTFSGKC-UHFFFAOYSA-N	288.328	3.858	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1NCc1ccccc1C	437430	NTAWDVISZFAWNO-UHFFFAOYSA-N	272.304	3.524	5	50	CHBA	
O=C(OCc1ccccc1Cl)c1ccccc1[N+](=O)[O-]	471799	XGEQGDJXZPWREC-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
CCn1c2ccc(F)cc2c2nc3ccccc3nc21	527109	DRLSMVVPUURELG-UHFFFAOYSA-N	265.291	3.897	5	50	CHBA	
CN(C(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	304739	AFTORZVTKYKHCA-UHFFFAOYSA-N	290.706	3.525	5	50	CHBA	
Cc1ccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)cc1	447387	OKNRQUBNOGTCSZ-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
O=[N+]([O-])c1ccc(Sc2cccs2)c([N+](=O)[O-])c1	1729189	OIJMOPQXAVRIII-UHFFFAOYSA-N	282.302	3.716	5	50	CHBA	
CCCN(C(=O)c1cccs1)c1cccc([N+](=O)[O-])c1	194141168	SNDTVMTXAYJPMM-UHFFFAOYSA-N	290.344	3.713	5	50	CHBA	
O=[N+]([O-])c1ccc(CNC23CC4CC(CC(C4)C2)C3)cc1	4612829	XGZKNPFIGODKCG-UHFFFAOYSA-N	286.375	3.653	5	50	CHBA	
O=[N+]([O-])c1ccc(OCc2ccccc2)cc1Cl	335841	OZWBCJNFUZTJGD-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
COc1ccc(CNc2ccc([N+](=O)[O-])cc2C)cc1	4685515	DGXXTWKKUXDRNY-UHFFFAOYSA-N	272.304	3.524	5	50	CHBA	
COc1c2ccccc2c([N+](=O)[O-])c2ccccc12	3131020	FVZLVHLBJJOJLO-UHFFFAOYSA-N	253.257	3.910	5	50	CHBA	
CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1C)c1ccccc1	370813	KDFHXRRTIMOTRR-HNNXBMFYSA-N	298.342	3.784	5	50	CHBA	
O=[N+]([O-])c1cc2c(cc1Br)-c1ccccc1C2	1716261	GWFNBKAAFJNZER-UHFFFAOYSA-N	290.116	3.929	5	50	CHBA	
COc1cccc(CNc2ccc([N+](=O)[O-])cc2C)c1	4309322	PUGDKZBPMHPDOZ-UHFFFAOYSA-N	272.304	3.524	5	50	CHBA	
CCC(CC)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	2742923	QOOCLJOHWBTOKY-UHFFFAOYSA-N	270.716	3.623	5	50	CHBA	
Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)cc1	446476	OINNHOFNLOAZNH-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1ccc(/C(=C/c2cccs2)[n+]2ccccc2)o1	25539294	YCSBJRLXRDXPFY-QBFSEMIESA-N	299.331	3.583	5	50	CHBA	
Cc1cccc(C)c1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	450180	UQLOSCAWBRMYOG-DHZHZOJOSA-N	296.326	3.864	5	50	CHBA	
COc1ccccc1CNc1ccc([N+](=O)[O-])cc1C	4309326	FRUVMUVSFMLXIO-UHFFFAOYSA-N	272.304	3.524	5	50	CHBA	
Cc1cc(C(=O)NCCC2=CCCCC2)ccc1[N+](=O)[O-]	291626	JFWQBTXJDVCBRN-UHFFFAOYSA-N	288.347	3.524	5	50	CHBA	
Cc1ccc(NCCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	196225221	HMJAGCLCHOPSST-UHFFFAOYSA-N	284.315	3.588	5	50	CHBA	
Cc1cccc(C(=O)NC2CCCCCCC2)c1[N+](=O)[O-]	4814344	MYTVQUXESNAAMQ-UHFFFAOYSA-N	290.363	3.746	5	50	CHBA	
O=[N+]([O-])c1cc(Br)c(Cl)cc1Cl	65336877	SAGMAWQXVPKKAP-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	in-vitro
Cc1c(C(=O)Oc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	436596	YBTQJYNGPDSNIJ-UHFFFAOYSA-N	291.690	3.776	5	50	CHBA	
O=[N+]([O-])c1ccc(NCCc2ccccc2)c2ncccc12	3894031	GNWCPHFRLJAENM-UHFFFAOYSA-N	293.326	3.798	5	50	CHBA	
O=[N+]([O-])c1cccc(CN[C@@H]2CCCc3ccccc32)c1	4777351	YGDUKMKCNPONLJ-QGZVFWFLSA-N	282.343	3.762	5	50	CHBA	
Cc1c(C(=O)c2ccccc2)oc2ccc([N+](=O)[O-])cc12	1385019	LFQBPZMWMNZWET-UHFFFAOYSA-N	281.267	3.880	5	50	CHBA	
Cc1ccccc1/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)O	5181816	UFLVGXRNGJVBOD-XNTDXEJSSA-N	283.283	3.528	5	50	CHBA	
O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1[N+](=O)[O-]	255423	YKADMOAEJSGWOL-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
Cc1ccc(C(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1	455842	DQTSJSCLYNSRNO-UHFFFAOYSA-N	275.691	3.788	5	50	CHBA	
Cc1ccc(C(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc1	4894425	BSUDPFRNLMLMRD-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc2nc(Cl)c(Br)cc2c1	2527446	JXTUVELIICYPQI-UHFFFAOYSA-N	287.500	3.559	5	50	CHBA	
Cc1ccc(CCOc2ccc([N+](=O)[O-])cc2)cc1	4105060	MOXXGGNTJNSZCQ-UHFFFAOYSA-N	257.289	3.525	5	50	CHBA	
CC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1	8056014	LXFHTKPOYDUERL-UHFFFAOYSA-N	256.261	3.541	5	50	CHBA	
O=[N+]([O-])c1ccccc1NC(=S)Nc1ccccc1F	5041229	ATMYVRKZCQSBAM-UHFFFAOYSA-N	291.307	3.543	5	50	CHBA	
O=C(CSc1ccccc1)c1cccc([N+](=O)[O-])c1	4821286	AKVORDXUPYCYEI-UHFFFAOYSA-N	273.313	3.570	5	50	CHBA	
Cc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	63831	UKJUIBKZHZGMPN-CMDGGOBGSA-N	282.299	3.555	5	50	CHBA	
O=[N+]([O-])c1cc(F)c(C(F)(F)F)cc1Br	116527375	LUJHTOFZEPHSLH-UHFFFAOYSA-N	287.994	3.515	5	50	CHBA	
O=C(Nc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	260689	WAKIEGNWFGFZLM-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=[N+]([O-])c1c(Oc2cccc(Cl)c2)nc2sccn12	1395927	HHRINROOVUBTDF-UHFFFAOYSA-N	295.707	3.750	5	50	CHBA	
Cc1ccc(NC(=O)CCCc2ccccc2)c([N+](=O)[O-])c1	4755417	HIGYDUXQTVUFOF-UHFFFAOYSA-N	298.342	3.865	5	50	CHBA	
Cc1cc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)on1	170600736	NSYNIPINMZFEOH-UHFFFAOYSA-N	287.300	3.682	5	50	CHBA	
Cc1ccc(C(=O)c2cc3ccccc3o2)cc1[N+](=O)[O-]	510362	ODGNRIQHXMHODO-UHFFFAOYSA-N	281.267	3.880	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccccc1Cl	1732163	XHFVKTGURVHJEA-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C\c2ccccc2)c([N+](=O)[O-])c1	4578622	YHUVJTKXOKHAQP-SREVYHEPSA-N	270.244	3.673	5	50	CHBA	
c1ccc2nc3c(nc2c1)sc1nc2ccccc2n13	1068478	NRAPIYWXSRMKRF-UHFFFAOYSA-N	276.324	3.645	5	50	CHBA	
O=[N+]([O-])c1cc(-c2ccno2)c(Cl)cc1Cl	4996652	OXUWUHSZAUDIFW-UHFFFAOYSA-N	259.048	3.557	5	50	CHBA	
CC(C)COc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1	261493783	JDDAMWKNPPSNTR-UHFFFAOYSA-N	279.214	3.528	5	50	CHBA	
O=[N+]([O-])c1cc(OC2CCCC2)cc(OC(F)(F)F)c1	261494165	RIEJVMZBNAMMPP-UHFFFAOYSA-N	291.225	3.815	5	50	CHBA	
CCCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	148817240	ZHXJXGILCFSXMZ-UHFFFAOYSA-N	263.215	3.793	5	50	CHBA	
CC[C@@H]([C@@H](Nc1ccccc1)c1ccccc1)[N+](=O)[O-]	187276	WRADNUIDLCNSHF-HOTGVXAUSA-N	270.332	3.895	5	50	CHBA	
Cc1ccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1C	4558918	PMTPQTPINWFQCM-UHFFFAOYSA-N	287.275	3.863	5	50	CHBA	
C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	13370368	GUNJXGWVQIFLMB-AOOOYVTPSA-N	296.754	3.651	5	50	CHBA	
Cc1ccc(OCc2ccc([N+](=O)[O-])cc2)c(C)c1	609103	FRJSLWTZIQUGBK-UHFFFAOYSA-N	257.289	3.791	5	50	CHBA	
CCc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	461807	GNGUMXKQNUKIJS-DHZHZOJOSA-N	296.326	3.809	5	50	CHBA	
O=[N+]([O-])c1ccc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c1	4367426	VHZNNEILGNYNNG-UHFFFAOYSA-N	293.666	3.900	5	50	CHBA	in-vitro
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccc1Cl	260456	XJCZQYCXLFPBAM-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
C[C@H](NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	471223	UPXXSWQIWOPHAP-OLZOCXBDSA-N	298.342	3.576	5	50	CHBA	
Cc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1C	4868887	UAOLYSMMCNFWOY-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
O=C(Oc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	223029	IOCFDVATAPVZJI-UHFFFAOYSA-N	293.278	3.967	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl	3898145	JKUFTSLAJUZNNM-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccc(CN2CCCC[C@H]2c2cccnc2)cc1	64503616	ITBJQKLUNXZJNO-KRWDZBQOSA-N	297.358	3.717	5	50	CHBA	
CCCN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(F)c1	261494186	RPJWAIVCCIDYSN-UHFFFAOYSA-N	298.314	3.885	5	50	CHBA	
O=[N+]([O-])c1c(Cl)cccc1-c1c[nH]cc1Cl	2012	QJBZDBLBQWFTPZ-UHFFFAOYSA-N	257.076	3.897	5	50	CHBA	biogenic,in-man
O[C@@H]1CCc2c(cc3ccc4cccc5ccc2c3c45)[C@H]1O	6094713	BZKFNBASVGRQMC-YLJYHZDGSA-N	288.346	3.925	5	50	CHBA	
Cc1cc([N+](=O)[O-])cc(N)c1OCc1ccc(Cl)cc1	584904513	BBRCQVDYTMTQPP-UHFFFAOYSA-N	292.722	3.718	5	50	CHBA	
C[C@H]1CCCC[C@@H]1OC(=O)Nc1cccc([N+](=O)[O-])c1	2171332	OHOACKGMJCAJNW-GWCFXTLKSA-N	278.308	3.722	5	50	CHBA	
O=[N+]([O-])c1ccc(Nc2nc(-c3ccccn3)cs2)cc1	5015022	DUGWJNQTYZELAP-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1Cl	199391	SJVXZNUBQMBYIO-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CC(C)Cc1ccc(Br)c([N+](=O)[O-])c1	65336864	DPEAEAIYPYXSLG-UHFFFAOYSA-N	258.115	3.556	5	50	CHBA	in-vitro
Cc1ccc(NC(=O)c2ccc(Cl)s2)cc1[N+](=O)[O-]	1002275	NSWAGWLFHXVKFP-UHFFFAOYSA-N	296.735	3.870	5	50	CHBA	
COc1cc(Cl)ccc1-c1ccc([N+](=O)[O-])cc1	74937829	RHTBCGJBXRFXBI-UHFFFAOYSA-N	263.680	3.924	5	50	CHBA	in-vitro
O=C(CSc1ccccc1)c1ccc([N+](=O)[O-])cc1	617753	XTFKMNCFLBDQAV-UHFFFAOYSA-N	273.313	3.570	5	50	CHBA	
O=[N+]([O-])c1cc(F)c(Oc2ccnc(Cl)c2)cc1F	95933530	HVLWVQWJVRJRDF-UHFFFAOYSA-N	286.621	3.714	5	50	CHBA	
Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)c(C)c1	446477	WZNMBLWDIBCZNV-UHFFFAOYSA-N	298.342	3.897	5	50	CHBA	
O=[N+]([O-])c1c(OC(F)F)ccc(Cl)c1Cl	263625291	YLCVVJHGUVRPHG-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
COc1cccc2cc3c(=O)oc4ccccc4c3nc12	382986	LAFJJDHHMSFMOJ-UHFFFAOYSA-N	277.279	3.503	5	50	CHBA	
O=Cc1ccc(OCc2ccccc2[N+](=O)[O-])c(Cl)c1	615718	ZRLDZOGSTRUNJD-UHFFFAOYSA-N	291.690	3.640	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(F)cc1	438748	RFXVSMYLVXVXGF-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
Cc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	281308	SAUREENQVGKDSB-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
Cc1ccc([C@@H](OCC[N+](C)(C)C)c2ccccc2)cc1	284538	FERVXSHGEVPGHF-IBGZPJMESA-N	284.423	3.807	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccc(N2CCCCCC2)c(Br)c1	4013885	SCBSQLNUPMSUIU-UHFFFAOYSA-N	299.168	3.738	5	50	CHBA	
COc1ccc2[nH]cc(/C=C/c3onc(C)c3[N+](=O)[O-])c2c1	4038303	GVPLMNVWYSXJTL-ZZXKWVIFSA-N	299.286	3.552	5	50	CHBA	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1cccs1	4833703	KAGOCAQUNOTUQD-UHFFFAOYSA-N	297.719	3.667	5	50	CHBA	
O=C(Nc1ccc(Cl)cc1)Oc1ccccc1[N+](=O)[O-]	4956465	VVEJXCIJGDGCCW-UHFFFAOYSA-N	292.678	3.859	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2ccnc(C(F)F)c2)cc1	725273651	SEXPEZLYMXDDAX-UHFFFAOYSA-N	250.204	3.594	5	50	CHBA	
O=[N+]([O-])c1cnc(C2=C(O)[C@H]3CCCC[C@@H]3CC2)s1	100693455	FECZATKIVHNOMQ-BDAKNGLRSA-N	280.349	3.921	5	50	CHBA	
O=[N+]([O-])c1ccccc1CNCCc1ccc(Cl)cc1	19720708	HWUPSPKQMCCHJT-UHFFFAOYSA-N	290.750	3.581	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)cc1NCCOc1ccccc1	4155762	QXWJNBDFWNZSOV-UHFFFAOYSA-N	292.722	3.739	5	50	CHBA	
Cc1cc(OCCCCNC2CCCC2)ccc1[N+](=O)[O-]	2845251	PUUJCDJVWXFCJJ-UHFFFAOYSA-N	292.379	3.594	5	50	CHBA	
CCn1c2ccc(OC)cc2c2nc3ccccc3nc21	544134	FYQRJCWTZVXJEX-UHFFFAOYSA-N	277.327	3.766	5	50	CHBA	
O=[N+]([O-])c1ccc(CNc2ccc(Cl)c(Cl)n2)cc1	225568164	ALFXKULKABSCON-UHFFFAOYSA-N	298.129	3.909	5	50	CHBA	
O=C(CCC1CCCCC1)Nc1ccc([N+](=O)[O-])cc1	4628663	GXYLYCOTELGTBO-UHFFFAOYSA-N	276.336	3.894	5	50	CHBA	
O=[N+]([O-])c1c(Br)ccc(Cl)c1Cl	263622772	AUIPRUDRLHQQFD-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	
Cc1cc(Nc2ccc([N+](=O)[O-])cc2O)nc2ccccc12	4083143	SOIQFRAQHUFMLN-UHFFFAOYSA-N	295.298	3.901	5	50	CHBA	
O=[N+]([O-])c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1	6896790	XSTRRCOJYZRPRD-UHFFFAOYSA-N	292.298	3.795	5	50	CHBA	
CCOc1ccc2c(oc(=O)c3ccccc32)c1C	46586	NEHZQLZRCRXBAZ-UHFFFAOYSA-N	254.285	3.653	5	50	CHBA	
Cc1ccc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-]	300950	DFDDCJNNUNSRLF-HUUCEWRRSA-N	296.326	3.645	5	50	CHBA	
O=[N+]([O-])c1ccccc1-c1ccc(CN2CCCCC2)o1	4985539	DNRFBENUAYNADC-UHFFFAOYSA-N	286.331	3.841	5	50	CHBA	
Cc1cc(C)cc(Oc2cc(N)cc([N+](=O)[O-])c2)c1	374072	CVMKLWMCKHKORS-UHFFFAOYSA-N	258.277	3.586	5	50	CHBA	
Cc1ccc(N[C@@H](C)c2cncs2)c([N+](=O)[O-])c1	170619615	NLPOTLOKLYTGGX-VIFPVBQESA-N	263.322	3.533	5	50	CHBA	
c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1	33902668	BVQAWSJMUYMNQN-UHFFFAOYSA-N	282.306	3.879	5	50	CHBA	in-vitro
COc1ccc(-n2c(C)c([N+](=O)[O-])c3ccc(O)cc32)cc1	292702	VVZNWYXIOADGSW-UHFFFAOYSA-N	298.298	3.561	5	50	CHBA	in-vitro
O=[N+]([O-])c1cccnc1NCC12CC3CC(CC(C3)C1)C2	20052245	WXEPRIQDMSISKH-UHFFFAOYSA-N	287.363	3.618	5	50	CHBA	
Cc1ccn2c(Cl)c(-c3cccc([N+](=O)[O-])c3)nc2c1	1390341	WUOWQTLRKAJYBQ-UHFFFAOYSA-N	287.706	3.871	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(Cl)c(Br)c1	96024834	RCABTKXOACXLOX-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	
O=[N+]([O-])c1c(Nc2ccccc2)[nH]c2ccccc12	4177095	LYAAAWUYXCUZAH-UHFFFAOYSA-N	253.261	3.820	5	50	CHBA	
CCCCOc1c(C)cc(Br)cc1[N+](=O)[O-]	82046480	BUAGNQPTTFVDTK-UHFFFAOYSA-N	288.141	3.845	5	50	CHBA	in-vitro
CC(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	38537864	SUIOMWQYRMBEHM-UHFFFAOYSA-N	273.130	3.568	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccc2sc(-c3ccccc3)nc2c1	1506465	FDKWRKRZEMALSF-UHFFFAOYSA-N	256.286	3.872	5	50	CHBA	
CCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	4672209	WHLPVCRIZKZRGR-UHFFFAOYSA-N	284.743	3.558	5	50	CHBA	
CCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C	272173	GOVPRVBJUXUEDJ-UHFFFAOYSA-N	284.315	3.570	5	50	CHBA	
COc1ccc([C@@H](C[N+](=O)[O-])c2c[nH]c3ccccc23)cc1	315955	BWZOHFWHBDXMRA-MRXNPFEDSA-N	296.326	3.585	5	50	CHBA	
CCc1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1	376303	CCUVUVPDBCRSLE-MDZDMXLPSA-N	296.326	3.809	5	50	CHBA	
CCCOc1ccc([N+](=O)[O-])c(Cl)c1Cl	261494148	QYSQGGAPEQFMCB-UHFFFAOYSA-N	250.081	3.690	5	50	CHBA	
Fc1cccc2nc3ccc(Br)cc3nc12	1848350229	LKFLBGBRCUPJIF-UHFFFAOYSA-N	277.096	3.685	5	50	CHBA	
CSc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1	350662	PFJSCMKJFCKOPR-UHFFFAOYSA-N	274.345	3.929	5	50	CHBA	
CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	376378	ZDAGWBLWAUAACD-NSHDSACASA-N	296.754	3.653	5	50	CHBA	
O=Cc1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl	467731	MECSINYGELKMDT-UHFFFAOYSA-N	291.690	3.640	5	50	CHBA	
O=C(c1ccc([N+](=O)[O-])cc1)c1cc2ccccc2o1	509866	XJQLOIGEZXCUND-UHFFFAOYSA-N	267.240	3.572	5	50	CHBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1C[C@H]2CC[C@H]1C2	101657372	YAHPQVICYROYKA-ATZCPNFKSA-N	294.738	3.623	5	50	CHBA	
N=c1oc2ccccc2c2cc(-c3ccccc3)nc(N)c12	5490948	FECRHUHFSQLLIK-UHFFFAOYSA-N	287.322	3.710	5	50	CHBA	
O=c1c2ccccc2oc2ccc(Br)cc12	4776224	DYQUGFRRGGOYCA-UHFFFAOYSA-N	275.101	3.709	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1cccc(Cl)c1	436782	SIKJSZZWYNUFDP-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CCC(C)(C)C1CCC(Br)([N+](=O)[O-])CC1	958528181	KXXONOSCYXQKFU-UHFFFAOYSA-N	278.190	3.981	5	50	CHBA	
O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccs1	4948833	PUABAHPYKYPLMP-UHFFFAOYSA-N	282.708	3.562	5	50	CHBA	
CCOc1ccc(C(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	456086	FHBVRMXFHQHQMZ-UHFFFAOYSA-N	285.299	3.533	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2nc(C3CCCCC3)no2)cc1	180911	YEXQDCPKFZWMQH-UHFFFAOYSA-N	273.292	3.693	5	50	CHBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(Cl)s1	4750220	BVXBADGSIKIKHD-UHFFFAOYSA-N	282.708	3.562	5	50	CHBA	
CCc1cnccc1[C@H](C)NCc1cccc([N+](=O)[O-])c1C	253418338	OEBZTGVWMGLGAQ-ZDUSSCGKSA-N	299.374	3.711	5	50	CHBA	
COc1ccc2nc3cc(Br)ccc3nc2c1	1848350251	LSFGAUIJSBKWMC-UHFFFAOYSA-N	289.132	3.554	5	50	CHBA	
COc1ccc(NC(=O)CC2CCCCC2)c([N+](=O)[O-])c1	6675603	FLEURLMBRBVTBN-UHFFFAOYSA-N	292.335	3.512	5	50	CHBA	
CN(C)c1ccc2cc3ccc(N(C)C)cc3nc2c1	4262317	DPKHZNPWBDQZCN-UHFFFAOYSA-N	265.360	3.520	5	50	CHBA	in-vitro
CC(C)(C)Nc1cc(F)c(Br)cc1[N+](=O)[O-]	38537598	HNSIZDZRAOLNCA-UHFFFAOYSA-N	291.120	3.707	5	50	CHBA	in-vitro
CCC[C@]1(COC)CCCN1c1ccc(F)cc1[N+](=O)[O-]	170615562	SRUSQLKCVIDIBG-OAHLLOKOSA-N	296.342	3.519	5	50	CHBA	
Cc1cccc2c1cc([N+](=O)[O-])n2C(=O)OC(C)(C)C	261493755	IQDBCHNMVZSQCU-UHFFFAOYSA-N	276.292	3.641	5	50	CHBA	
CCC[C@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	373122	PHWOIENZGZMFMH-QMMMGPOBSA-N	270.716	3.623	5	50	CHBA	
O=c1c2ccccc2[nH]c2c1sc1ccccc12	38977839	BARNJCXXNCHRAZ-UHFFFAOYSA-N	251.310	3.896	5	50	CHBA	
CCN(Cc1ccccc1)Cc1ccccc1[N+](=O)[O-]	55292236	SDPQLJCNJILAKH-UHFFFAOYSA-N	270.332	3.617	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2	101858761	XHMOJOKMAVMPLK-QXEWZRGKSA-N	294.738	3.623	5	50	CHBA	
O=[N+]([O-])c1ccc(OCc2ccc(Cl)cc2)cc1	471795	PVCAOYFOGYPYKK-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
Cc1cccc([N+](=O)[O-])c1NC(=O)c1ccc(Cl)cc1	4795714	DLQIYSJYGYQJDS-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CC(C)(NCc1csc([N+](=O)[O-])c1)c1cccc(F)c1	124663322	HXGJUXTZUCFBNQ-UHFFFAOYSA-N	294.351	3.820	5	50	CHBA	
Cc1ccc([C@@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	33962	QPKYMPPBOCVXOR-INIZCTEOSA-N	267.284	3.746	5	50	CHBA	
O=[N+]([O-])c1c(Cl)ccc(C(F)(F)F)c1Cl	2526222	DIMKVPKLQUPPFN-UHFFFAOYSA-N	259.998	3.920	5	50	CHBA	
O=[N+]([O-])c1cnc2c(Br)cccc2c1Cl	165873267	NIUWHFXFGJZPRJ-UHFFFAOYSA-N	287.500	3.559	5	50	CHBA	
O=[N+]([O-])c1ccccc1[S@@](=O)Cc1ccccc1Cl	5764240	URCBHRZVAYSSII-LJQANCHMSA-N	295.747	3.556	5	50	CHBA	
O=C(CCC1CCCC1)Nc1ccc(F)c([N+](=O)[O-])c1	442160	WJIUSBNCZGPBFT-UHFFFAOYSA-N	280.299	3.643	5	50	CHBA	
O=[N+]([O-])c1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1	1712904	ZZTJMQPRKBNGNX-UHFFFAOYSA-N	276.273	3.654	5	50	CHBA	
O=C(COc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)cc1	476504	WPEIUYBQTWKBIE-UHFFFAOYSA-N	291.690	3.510	5	50	CHBA	
Cc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1	588445	UGMLDYUUKXGAAZ-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
Cc1ccc(C(=O)N[C@H](C)CCCC(C)C)cc1[N+](=O)[O-]	2988614	QRNLLNGHLNMNCS-CYBMUJFWSA-N	292.379	3.848	5	50	CHBA	
Brc1ccc2ccc3cccnc3c2n1	40442691	ZRJUDAZGVGIDLP-UHFFFAOYSA-N	259.106	3.546	5	50	CHBA	
C[N+](C)(C)CCCCCCCCCC[N+](C)(C)C	1532339	MTCUAOILFDZKCO-UHFFFAOYSA-N	258.494	3.520	5	50	CHBA	world
C[C@@H](CCc1ccccc1)Nc1ccc(N)cc1[N+](=O)[O-]	225815556	XHBGQIQQWHLTST-LBPRGKRZSA-N	285.347	3.610	5	50	CHBA	
Cc1ccc(OC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1C	60943	KICJWEZNCCKOEN-UHFFFAOYSA-N	285.299	3.739	5	50	CHBA	
CC(C)(C)c1ccc(NC(=O)c2ccco2)c([N+](=O)[O-])c1	4566510	JNDSLZIPINZSMI-UHFFFAOYSA-N	288.303	3.738	5	50	CHBA	
CCCOc1ccc(CNc2cccc([N+](=O)[O-])c2)cc1	4854638	KHILIDKABLLDAD-UHFFFAOYSA-N	286.331	3.996	5	50	CHBA	
Cc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)c1	300577	HMLVGAFIKGZGAI-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1C	2521007	NXYUJFXMYHKXJZ-UHFFFAOYSA-N	298.342	3.897	5	50	CHBA	
O=c1oc(=O)c2ccc3c4ccccc4oc4ccc1c2c43	43277608	CMDRTRYVGCWWHS-UHFFFAOYSA-N	288.258	3.644	5	50	CHBA	
O=[N+]([O-])c1ccccc1Sc1ccccc1[N+](=O)[O-]	1620307	MXWVNAOIXKIIJK-UHFFFAOYSA-N	276.273	3.654	5	50	CHBA	in-vitro
Cc1cc(C)c(C)c(Oc2cc(N)cc([N+](=O)[O-])c2)c1	2549466	XNUDMTLYVIMAQE-UHFFFAOYSA-N	272.304	3.895	5	50	CHBA	
CC[C@@H](C)Oc1c(Cl)cc(/C=C\[N+](=O)[O-])cc1OC	4739806	MFBBBQDHJFZUGP-SSJHQANKSA-N	285.727	3.773	5	50	CHBA	
Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	303102	LRKIHWHAFSLVPL-UHFFFAOYSA-N	275.691	3.788	5	50	CHBA	
O=Cc1cccc2ccc3cccc(C(=O)O)c3c12	330066	WNGATLAAVNRKQO-UHFFFAOYSA-N	250.253	3.504	5	50	CHBA	
O=[N+]([O-])c1ccc2nc(-c3ccc(Cl)cc3)[nH]c2c1	5606248	KJXNOHLXULKUIZ-UHFFFAOYSA-N	273.679	3.792	5	50	CHBA	
CC(C)(C)c1cc(C(C)(C)C)c([N+](=O)[O-])cc1O	40556422	VIWYWRSFQRIVPI-UHFFFAOYSA-N	251.326	3.895	5	50	CHBA	
O=[N+]([O-])c1ccc(Nc2ccccc2Cl)c([N+](=O)[O-])c1	4577780	BZANWSWKCWTNOZ-UHFFFAOYSA-N	293.666	3.900	5	50	CHBA	
CCCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	261493523	CTBMWDGWHHXKDW-UHFFFAOYSA-N	263.215	3.793	5	50	CHBA	
CCN(C(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1	102965	UQFOEDBDUQPDCI-UHFFFAOYSA-N	284.315	3.570	5	50	CHBA	
CC(C)CN(CC(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1	4776670	KFATVFRMNKPRCG-UHFFFAOYSA-N	293.367	3.741	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(Cl)c1OC(F)F	263624695	SRZODGVFLWVGJZ-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
Cc1cc2c(ncn2Cc2ccccc2)c([N+](=O)[O-])c1C	3132960	ROZNJMOOTMTNFH-UHFFFAOYSA-N	281.315	3.610	5	50	CHBA	
Brc1cc2cccnc2c2ncccc12	5162161	GWKGPQCKIBRXGW-UHFFFAOYSA-N	259.106	3.546	5	50	CHBA	in-vitro
Cc1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1C	5390600	MDOJGOYXJSGMGQ-UHFFFAOYSA-N	287.275	3.863	5	50	CHBA	
CCCCOc1ccc([N+](=O)[O-])cc1OCCCC	4831669	IAIKYWPFNZRZMG-UHFFFAOYSA-N	267.325	3.953	5	50	CHBA	
CCCC(CCC)C(=O)OC1C[C@H]2CC[C@H](C1)[N+]2(C)C	100036823	XGGHHHBGPSNXFE-HUUCEWRRSA-N	282.448	3.516	5	50	CHBA	world
CCOC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1F	85477112	PMRJUSATYALLJX-UHFFFAOYSA-N	289.262	3.578	5	50	CHBA	in-vitro
CCCCOc1cc(Br)cc([N+](=O)[O-])c1	205715280	MDIUSPSMTGBHQB-UHFFFAOYSA-N	274.114	3.536	5	50	CHBA	
Cc1ccc(C)c(OC(=O)c2cccc([N+](=O)[O-])c2C)c1	43191227	BSJHOTVUASQXQL-UHFFFAOYSA-N	285.299	3.739	5	50	CHBA	
CCCN(CCC)c1ccc(Cl)cc1[N+](=O)[O-]	238791135	YKIDUFYKCCUAET-UHFFFAOYSA-N	256.733	3.875	5	50	CHBA	
O=[N+]([O-])c1ccc(CN[C@@H]2CCCc3ccccc32)cc1	4891757	SXADGYYMOIHTNA-QGZVFWFLSA-N	282.343	3.762	5	50	CHBA	
O=[N+]([O-])c1ccc(C2=Nc3cc(Cl)ccc3OC2)cc1	1404553	AAIYJZKKBMDVSP-UHFFFAOYSA-N	288.690	3.761	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1Cl	2166806	VLVNHMVSVDVAOA-UHFFFAOYSA-N	259.998	3.920	5	50	CHBA	in-vitro
COc1ccc(NC(=O)CCC2CCCC2)c([N+](=O)[O-])c1	4904746	YNUVMQMHWZCDIU-UHFFFAOYSA-N	292.335	3.512	5	50	CHBA	
O=[N+]([O-])c1cccc(COc2ccccc2Cl)c1	471604	OGAWGEYXLXZWNL-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
Cc1ccc(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	366922	ZRCRGBZPAADXJT-UHFFFAOYSA-N	275.691	3.788	5	50	CHBA	in-vitro
Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)c1	316220	XIMKWQRIVRNQLN-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
COc1cccc2cc(C(=O)c3ccc([N+](=O)[O-])cc3)oc12	472108	IPXKWWPMUVBBCM-UHFFFAOYSA-N	297.266	3.581	5	50	CHBA	
Cc1cc(Cl)ccc1NC(=O)c1ccc([N+](=O)[O-])cc1	1640243	UYLQYDZTCVQBND-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])c1ccc2nonc2c1Nc1ccc(Cl)cc1	4093890	AKSITNODIZEBBT-UHFFFAOYSA-N	290.666	3.528	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NCc1ccc(F)c(F)c1	4982081	BXYVAMWMCYWIAU-UHFFFAOYSA-N	278.258	3.794	5	50	CHBA	
CC(C)(C)c1cc([N+](=O)[O-])c(O)c(C(C)(C)C)c1	19595547	GVKJWGRAPDVEMC-UHFFFAOYSA-N	251.326	3.895	5	50	CHBA	
O=[N+]([O-])c1cc(F)c(OC2CCCC2)c(Cl)c1	261493589	FIEIEIPOPOUIOR-UHFFFAOYSA-N	259.664	3.709	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	5512354	DFNZMXHDIVNGEJ-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1ccccc1Cl	4582968	YWMDRKRJFQEQFE-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
O=[N+]([O-])c1c(F)ccc(OCc2ccccc2)c1Cl	261493553	DJQBSTHRDLCTBP-UHFFFAOYSA-N	281.670	3.966	5	50	CHBA	
CCCCOc1cc(C(F)(F)F)ccc1[N+](=O)[O-]	261493915	LWLFEUKGSBLCQO-UHFFFAOYSA-N	263.215	3.793	5	50	CHBA	
COc1c(Cl)cc(C(F)(F)F)c(C)c1[N+](=O)[O-]	1857787685	GEXRHDAKNWOSRH-UHFFFAOYSA-N	269.606	3.584	5	50	CHBA	
CC(=O)Oc1cc(C)c2c(=O)c3ccccc3sc2c1	5006107	JFHIISXEHABUCP-UHFFFAOYSA-N	284.336	3.648	5	50	CHBA	
CC(C)(C)c1ccc([N+](=O)[O-])cc1Br	133417	VIXSTSCFPDRETO-UHFFFAOYSA-N	258.115	3.655	5	50	CHBA	
CCOc1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1	471635	YRIYZGDKWZVLSA-UHFFFAOYSA-N	273.288	3.573	5	50	CHBA	
O=[N+]([O-])c1ccc2c(c1)ncn2-c1cccc(Cl)c1	1059834	CMRQVHRNOKBIQN-UHFFFAOYSA-N	273.679	3.587	5	50	CHBA	
O=C1c2ccccc2-c2nc3cc4ccccc4cc3nc21	256463	HNIIBDFHTBZSEU-UHFFFAOYSA-N	282.302	3.994	5	50	CHBA	
C[C@H]1CCCC[C@H]1OC(=O)Nc1cccc([N+](=O)[O-])c1	2171329	OHOACKGMJCAJNW-GXFFZTMASA-N	278.308	3.722	5	50	CHBA	
O=Cc1cc(-c2cc3ncccc3s2)cc([N+](=O)[O-])c1	1875387854	AZRLDWOYKNXDIP-UHFFFAOYSA-N	284.296	3.684	5	50	CHBA	
O=C(NC1CCCCCC1)c1cc(Cl)ccc1[N+](=O)[O-]	449879	FMQXFWFZXLAKHJ-UHFFFAOYSA-N	296.754	3.701	5	50	CHBA	
O=Cc1ccc(OCc2ccc(Cl)cc2)c([N+](=O)[O-])c1	7434471	GUXIZQPIDDKEMX-UHFFFAOYSA-N	291.690	3.640	5	50	CHBA	
C[C@H]1CC2(CCCCC2)NCc2cc([N+](=O)[O-])ccc21	88203	NTQRKDJFPIIDQC-LBPRGKRZSA-N	274.364	3.895	5	50	CHBA	
COC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1	145497	XGSXPBUMCIDPQR-UHFFFAOYSA-N	289.312	3.533	5	50	CHBA	
Cc1ccc(NC(=O)CCC2CCCC2)cc1[N+](=O)[O-]	474269	JCNSNMUZCAFQFM-UHFFFAOYSA-N	276.336	3.812	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccc(-c2cccc(Br)c2)o1	461639	TVCRRWUSQOTJGE-VOTSOKGWSA-N	294.104	3.957	5	50	CHBA	
Cc1ccccc1CNc1ccc([N+](=O)[O-])cc1C	4309371	FZJUXVAKPHMLEK-UHFFFAOYSA-N	256.305	3.824	5	50	CHBA	
CC(C)(C)OC(=O)n1c([N+](=O)[O-])cc2c(Cl)cccc21	261494481	YPXOPMKJDGWSSL-UHFFFAOYSA-N	296.710	3.986	5	50	CHBA	
CC(C)(C)c1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1	20110089	VYZOLMCKAXIWFJ-UHFFFAOYSA-N	285.347	3.899	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1	1683205	CLVIIRIMEIEKOQ-OWOJBTEDSA-N	270.244	3.673	5	50	CHBA	in-vitro
CCC(CC)Nc1c([N+](=O)[O-])cc(C)c(C)c1[N+](=O)[O-]	4098978	CHIFOSRWCNZCFN-UHFFFAOYSA-N	281.312	3.720	5	50	CHBA	biogenic,in-vitro
Cc1ccc(-c2noc(-c3ccc([N+](=O)[O-])c(C)c3)n2)cc1	87944	KFXFDKFWLKBNDD-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
O=[N+]([O-])c1cccc(Nc2nc(-c3cccnc3)cs2)c1	190404	MTJPHODEUXFALV-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
O=C(CCCc1ccccc1)Nc1cccc([N+](=O)[O-])c1	458353	IBPOYKXQXZSYSI-UHFFFAOYSA-N	284.315	3.556	5	50	CHBA	
CC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1F	301154788	CKEOHSQFYZONBI-UHFFFAOYSA-N	275.235	3.729	5	50	CHBA	
O=[N+]([O-])c1cnc(C2=C(O)[C@H]3CCCC[C@H]3CC2)s1	100693458	FECZATKIVHNOMQ-IUCAKERBSA-N	280.349	3.921	5	50	CHBA	
CCc1ccccc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1	207963	RCBUIDCZPDAOPJ-ZHACJKMWSA-N	296.326	3.809	5	50	CHBA	
O=C(CCC1CCCCC1)Nc1ccccc1[N+](=O)[O-]	4845371	CMFBDLKDTLUTTP-UHFFFAOYSA-N	276.336	3.894	5	50	CHBA	
CC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1	142981	IRWXEFXORSDYQA-UHFFFAOYSA-N	257.245	3.590	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccc([C@H]2OCCc3ccc(Cl)cc32)cc1	139812236	SQIJUBRIDNBRQV-OAHLLOKOSA-N	289.718	3.910	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1F	2156298	GUAMRBBJXTYENB-UHFFFAOYSA-N	293.229	3.517	5	50	CHBA	
CCCCCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	4151074	BIZIWYJNUOPLJM-UHFFFAOYSA-N	284.743	3.558	5	50	CHBA	
CC(=O)Oc1c(C)cc2sc3ccccc3c(=O)c2c1C	4474156	JJRHVBALUIIHGV-UHFFFAOYSA-N	298.363	3.957	5	50	CHBA	
Cc1ccc(NC(=S)NC2CCCCC2)c([N+](=O)[O-])c1	5041633	ZNJHWIIEVOETIW-UHFFFAOYSA-N	293.392	3.522	5	50	CHBA	
CCCCOc1cc(Cl)c(OCC)cc1[N+](=O)[O-]	2530974	AGWJMGYUNAWYIO-UHFFFAOYSA-N	273.716	3.826	5	50	CHBA	
CC(=O)c1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C	1294932	WXCMHFPAUCOJIG-UHFFFAOYSA-N	294.307	3.620	5	50	CHBA	endogenous,in-man
COc1ccc2[nH]c3nc4cc(C)c(C)cc4nc3c2c1	2950611	TXUQQUBMDCUXJP-UHFFFAOYSA-N	277.327	3.890	5	50	CHBA	
CC(=O)c1ccc(OCC[N+](C)(C)Cc2ccccc2)cc1	254829	XYNTVJMWYMMFOH-UHFFFAOYSA-N	298.406	3.545	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2ccccc2o1	4538243	RBHJROQKKREBGS-UHFFFAOYSA-N	296.282	3.902	5	50	CHBA	
C[C@@H](c1ccccc1)n1cnc2cc([N+](=O)[O-])ccc21	1060302	IWGVZBKCNAMNAE-NSHDSACASA-N	267.288	3.554	5	50	CHBA	
O=C(OCc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1	4868158	HSMWEDGHLMDDJM-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1C[C@H]2CCC[C@H]2C1	182842686	LCKGTBWBHRWFFD-MCIONIFRSA-N	274.364	3.696	5	50	CHBA	
Cc1ccc(NC(=O)Oc2ccc(F)cc2)c([N+](=O)[O-])c1	4799773	IXOHRYGHYKOMRW-UHFFFAOYSA-N	290.250	3.653	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)CCCc1ccccc1	4616310	TURSMZCIVMWGJI-UHFFFAOYSA-N	298.342	3.865	5	50	CHBA	
O=[N+]([O-])c1ccc(Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	1311529	CSYHEOYNMJQREG-UHFFFAOYSA-N	294.650	3.949	5	50	CHBA	
O=[N+]([O-])c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1	121888	HDKHEORTNYFDJA-UHFFFAOYSA-N	284.193	3.801	5	50	CHBA	
COc1ccc2c(c1)oc(=O)c1c3ccc(OC)cc3oc21	2556363	PXHLPCBBXPHBHP-UHFFFAOYSA-N	296.278	3.710	5	50	CHBA	biogenic,in-vitro
Cc1ccc(NC(=O)OC2CCCCC2)cc1[N+](=O)[O-]	2170944	ACWBWLBBIWFODC-UHFFFAOYSA-N	278.308	3.784	5	50	CHBA	
Cc1ccc(O)c(-c2cc(-c3ccccc3[N+](=O)[O-])[nH]n2)c1	13126855	AWWJDMCIECLYAS-UHFFFAOYSA-N	295.298	3.666	5	50	CHBA	
O=[N+]([O-])c1ccc2nc(SCc3ccccc3)[nH]c2c1	16480861	KTGYNDFRERJSAU-UHFFFAOYSA-N	285.328	3.763	5	50	CHBA	
O=[N+]([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F	77011791	MZGFDOWJWPJWPA-UHFFFAOYSA-N	259.105	3.632	5	50	CHBA	
O=[N+]([O-])c1ccc(F)c(C(F)(F)F)c1Br	396106656	VMMZLBMGFKLZCE-UHFFFAOYSA-N	287.994	3.515	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)c(OCc2ccccc2)c1	77032257	DXQRYHUPOMREGK-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
O=C(Nc1ccc(Cl)cc1)c1ccccc1[N+](=O)[O-]	69327	XCENMAGLUPDPPI-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	264033	GUNJXGWVQIFLMB-NXEZZACHSA-N	296.754	3.651	5	50	CHBA	
Cc1cnc(Oc2cnc3ccccc3c2)c([N+](=O)[O-])c1	191860446	ABEKTLALHLTYHL-UHFFFAOYSA-N	281.271	3.639	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccc(OCc2ccccc2)cc1	104322	MSDHJAWQEZOXGV-ZHACJKMWSA-N	255.273	3.513	5	50	CHBA	
CC(C)(C)OC(=O)N1CC(C)(C)c2ccc([N+](=O)[O-])cc21	44137732	LXCSKRDBTOIEGW-UHFFFAOYSA-N	292.335	3.628	5	50	CHBA	
CCSCCS/C=C/c1ccc([N+](=O)[O-])o1	253416173	LSPQERIPPSVWOQ-AATRIKPKSA-N	259.352	3.645	5	50	CHBA	
Cc1cc(Cl)ccc1NC(=O)c1ccccc1[N+](=O)[O-]	69330	WHAKKBYRWINUDW-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(OCc2cccc([N+](=O)[O-])c2)c(C)c1	614345	UHPGMRPFIQJHJD-UHFFFAOYSA-N	257.289	3.791	5	50	CHBA	
Cn1c(/C=C/c2ccc([N+](=O)[O-])s2)nc2ccccc21	5044782	XULRRZKEKVUXKA-SOFGYWHQSA-N	285.328	3.713	5	50	CHBA	
O=C(Oc1ccc(F)cc1[N+](=O)[O-])c1ccc(Cl)cc1	2534514	HIVUSVJIKCVKID-UHFFFAOYSA-N	295.653	3.607	5	50	CHBA	
CC(=O)c1ccc(N2CC(C)(C)[C@@H]2C(C)C)c([N+](=O)[O-])c1	253433075	RMAQASHVIRHVQW-HNNXBMFYSA-N	290.363	3.668	5	50	CHBA	
O=Cc1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1	7982597	QBBNPZDYTKFNLW-UHFFFAOYSA-N	277.276	3.698	5	50	CHBA	
CCCCCOC(=O)CCCCCCCC[N+](=O)[O-]	45068444	FDVMGVNQDYXCMR-UHFFFAOYSA-N	273.373	3.727	5	50	CHBA	
O=[N+]([O-])c1cccc(CN2CCC[C@@H]3CCCC[C@@H]32)c1	4987917	RTZGVAHKUUQAEU-HOCLYGCPSA-N	274.364	3.749	5	50	CHBA	
CN(C(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1	103103	GKDLKMVODXIMNU-UHFFFAOYSA-N	290.706	3.525	5	50	CHBA	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)Nc1ccccc1F	2166221	KIBMMZWVIAQJGQ-UHFFFAOYSA-N	293.229	3.517	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)cc(Cl)c1Cl	2386457	FZHCKUHPOZBPHB-UHFFFAOYSA-N	259.998	3.920	5	50	CHBA	in-vitro
O=[N+]([O-])c1cc([N+](=O)[O-])c(N2CCCCCC2)cc1Cl	3880487	WAGTVSNZJBOBOS-UHFFFAOYSA-N	299.714	3.537	5	50	CHBA	
Cc1c(NC(=O)CCc2ccccc2)ccc([N+](=O)[O-])c1C	4893662	MCRADMZGTQEFDL-UHFFFAOYSA-N	298.342	3.783	5	50	CHBA	
CC[C@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC	16246922	NVZVJFIPMRHUFI-TXEJJXNPSA-N	278.352	3.634	5	50	CHBA	
Cc1ccc(-c2ccnc(C(F)F)c2)cc1[N+](=O)[O-]	725273430	BIHXVCFBGXWTKY-UHFFFAOYSA-N	264.231	3.903	5	50	CHBA	
Cc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c(C)c1	514653	XEADKQZHEMCUTM-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1	2537607	HHPUZYMJECRKNE-UHFFFAOYSA-N	298.220	3.988	5	50	CHBA	
Nc1ccccc1Sc1ccc(Cl)cc1[N+](=O)[O-]	79179	RIQHSWGSXDCMIG-UHFFFAOYSA-N	280.736	3.982	5	50	CHBA	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)c(Cl)c1	458104	SPWGCDFMCRERRH-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1[C@H]2CCC=CCC[C@H]21	239402823	RFBTVNSAFANRSG-FICVDOATSA-N	286.331	3.526	5	50	CHBA	
CSc1nc2ccccc2n1Cc1ccccc1[N+](=O)[O-]	313573	NLINBAJBVIMDSR-UHFFFAOYSA-N	299.355	3.715	5	50	CHBA	
CCN(Cc1ccccc1)C(=O)c1cccc([N+](=O)[O-])c1C	246194	IMXCBQSHRNLOSH-UHFFFAOYSA-N	298.342	3.566	5	50	CHBA	
CC(C)(C)CC(C)(C)NC(=O)Nc1cccc([N+](=O)[O-])c1	4821202	GHPQMELRBPBHBT-UHFFFAOYSA-N	293.367	3.931	5	50	CHBA	
O=[N+]([O-])c1ccccc1CSc1nc2ccccc2[nH]1	187901	IBNINHYNAKWLRZ-UHFFFAOYSA-N	285.328	3.763	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)cc(Br)c1Cl	67799962	XTTZFLRDPMATAY-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	
CC[C@@H]1c2ccccc2CCN1c1ccc([N+](=O)[O-])cn1	301253080	DWCUQDYOMAJAOM-OAHLLOKOSA-N	283.331	3.504	5	50	CHBA	
O=[N+]([O-])c1ccc2ccn(Cc3ccccc3)c2c1	38846409	DMAJMPSNEPHSQO-UHFFFAOYSA-N	252.273	3.598	5	50	CHBA	
O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Cl	4583062	WCDDPWRCSNFDFR-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
Cc1ccc(/C=C/C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1	475241	RYARKJFNCRSWKB-CSKARUKUSA-N	296.326	3.864	5	50	CHBA	
Cc1cccc(Cl)c1NC(=O)c1ccccc1[N+](=O)[O-]	103179	ASOOSKARNDMROC-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])c1cccc(CNc2ccc(F)c(Cl)c2)c1	280327	LLHXPBWHSMZXMM-UHFFFAOYSA-N	280.686	3.999	5	50	CHBA	
Cc1cccc(-c2noc(-c3ccc([N+](=O)[O-])cc3)n2)c1	455456	LEJGWCBCVOHMKH-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1ccc(NC23CC4CC(CC(C4)C2)C3)cc1	39239903	DWCDJRKCUOQOLS-UHFFFAOYSA-N	272.348	3.976	5	50	CHBA	
O=C(Nc1ccccc1Cl)c1ccccc1[N+](=O)[O-]	121127	LRMWSGLZOBEIFY-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
Cc1c([N+](=O)[O-])cc2c(c1[N+](=O)[O-])C(C)(C)CC2(C)C	1689955	UHWURQRPEIFIAK-UHFFFAOYSA-N	278.308	3.770	5	50	CHBA	biogenic
O=c1cc(/C=C/c2ccc([N+](=O)[O-])cc2)[nH]c2ccccc12	15016845	HJGKQMBZGZIVMB-VMPITWQZSA-N	292.294	3.607	5	50	CHBA	
CC1(C)[C@H]2CC[C@]1(C)c1nc3ccc([N+](=O)[O-])cc3nc12	468481	TXGIVGINCWKAMP-MGPLVRAMSA-N	283.331	3.713	5	50	CHBA	
Cc1cccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)c1	619022	NGMPJOVGDRBUQQ-UHFFFAOYSA-N	287.344	3.712	5	50	CHBA	
Cc1c(O)ccc2c1oc1c(C(C)C)c3cn[nH]c3nc12	218177411	BQTJEUBGBIBBNC-UHFFFAOYSA-N	281.315	3.995	5	50	CHBA	
Cc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1	101303	QYZKJUMWEZZAFQ-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl	858557	LNQLKXBGJXRHOH-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CCCCOc1ccc([N+](=O)[O-])c(OCCCC)c1	141539171	RUQCYJGJUOQYDN-UHFFFAOYSA-N	267.325	3.953	5	50	CHBA	
O=C(O)c1ccc(-c2ccccc2[N+](=O)[O-])cc1Cl	85476867	UZTSMTNERDSDHS-UHFFFAOYSA-N	277.663	3.613	5	50	CHBA	in-vitro
CCCC[C@H](CC)CNC(=O)c1cccc(C)c1[N+](=O)[O-]	2832844	HFXHWOZIETVDBT-ZDUSSCGKSA-N	292.379	3.849	5	50	CHBA	
O=[N+]([O-])c1cccc2cc(OCc3ccccc3)cnc12	8699912	HTORMOVXUIFCMB-UHFFFAOYSA-N	280.283	3.722	5	50	CHBA	
Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl	102124	XQBCDIDTLUWUMG-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1noc(/C=C\C=C/c2ccccc2)c1[N+](=O)[O-]	16249567	DKPBCIGIONEFBT-OZDSWYPASA-N	256.261	3.618	5	50	CHBA	
Cc1cc(Oc2cc(N)cc([N+](=O)[O-])c2)ccc1Cl	265785	VHJIPFYGZDZQOA-UHFFFAOYSA-N	278.695	3.931	5	50	CHBA	
O=[N+]([O-])/C=C/c1ccccc1OCc1cccc(F)c1	615615	OQDRXXRDFXQHDX-CMDGGOBGSA-N	273.263	3.652	5	50	CHBA	
O=C(O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccccc12	271452	BQHXUFIDYNWENX-UHFFFAOYSA-N	294.266	3.508	5	50	CHBA	
CCN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1	55292144	LKWNUXWELUKOGM-UHFFFAOYSA-N	270.332	3.617	5	50	CHBA	
CC1(C)CCCC(C)(C)N1C(=O)c1ccc([N+](=O)[O-])cc1	242538654	JANCDZWEOKDAIB-UHFFFAOYSA-N	290.363	3.778	5	50	CHBA	
Cc1cccc(C(=O)N(CC(C)C)CC(C)C)c1[N+](=O)[O-]	5027879	NXPPJJXTCZTFPR-UHFFFAOYSA-N	292.379	3.657	5	50	CHBA	
Cc1ccc(NC(=O)[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1C	471770	YNVNEXMQJDDTRV-ZDUSSCGKSA-N	298.342	3.954	5	50	CHBA	
O=[N+]([O-])c1ccccc1N1CC2(CCC2)[C@H]1c1cccnc1	952964613	UQADOZRAJZXRCV-MRXNPFEDSA-N	295.342	3.721	5	50	CHBA	
O=[N+]([O-])c1ccc(Br)c2ccccc12	5517953	OUENKLKXUFZIPK-UHFFFAOYSA-N	252.067	3.511	5	50	CHBA	
CCCCN(CC)C(=O)c1ccc([N+](=O)[O-])cc1Cl	2992812	FVVCWLJHUIEDCU-UHFFFAOYSA-N	284.743	3.510	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)c1sccc1Cl	4542615	PZNHSSYLFCAHRU-UHFFFAOYSA-N	282.708	3.562	5	50	CHBA	
Cc1ccc(Cl)cc1OC(=O)c1ccc([N+](=O)[O-])cc1	6788833	YKUIVEZIYXPYFN-UHFFFAOYSA-N	291.690	3.776	5	50	CHBA	
Cc1ccc(NC(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1	4616699	ICNFDFNHKGPGPO-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CC[N+](CC)(CC)CCCC[N+]1(CC)CCCCC1	585152322	PAYYGQIIYLCQRM-UHFFFAOYSA-N	270.505	3.664	5	50	CHBA	
O=C1Nc2cc(Cl)ccc2Oc2cc([N+](=O)[O-])ccc21	4753630	ANTJQXMLLXFLQX-UHFFFAOYSA-N	290.662	3.606	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1Oc1ccc([N+](=O)[O-])cc1	1775964938	MLFHNWJKOMNGKE-UHFFFAOYSA-N	274.232	3.604	5	50	CHBA	
CCCCCCOC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	3086133	RPKBZHRZJLQGHD-UHFFFAOYSA-N	284.287	3.863	5	50	CHBA	
O=C(Nc1ccccc1)c1cc(Cl)cc([N+](=O)[O-])c1	83794791	RHBNUJWVZRRQMB-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
Cc1ccc(NC(=O)c2cccc(C)c2[N+](=O)[O-])cc1C	466494	DJZFLENYUYQHRQ-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
Clc1ccc2nc3c4ccccc4cnn3c2c1	4740989	VSXYBFOEHRWGRA-UHFFFAOYSA-N	253.692	3.689	5	50	CHBA	
O=[N+]([O-])c1ccc(COc2ccccc2Cl)cc1	471630	PCZNHLMROFKTBU-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
O=C(c1ccc(F)cc1)c1ccc(Cl)c([N+](=O)[O-])c1	16158171	ZUMMQWOIAMKUOT-UHFFFAOYSA-N	279.654	3.618	5	50	CHBA	in-vitro
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCC(F)(F)F	37337188	XHZPNTKSWUIZIB-UHFFFAOYSA-N	288.147	3.588	5	50	CHBA	
CC(=O)c1ccc(N2CC(C)(C)[C@H]2C(C)C)c([N+](=O)[O-])c1	253433076	RMAQASHVIRHVQW-OAHLLOKOSA-N	290.363	3.668	5	50	CHBA	
CC(C)SCCCOc1ccc([N+](=O)[O-])cc1	2885635	DZEIXZFOZAVOTN-UHFFFAOYSA-N	255.339	3.505	5	50	CHBA	
CCc1cccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	376259	WBKUINLLEQASAF-UHFFFAOYSA-N	284.315	3.718	5	50	CHBA	
Cc1ccc(-c2nc3cc(C)ccn3c2[N+](=O)[O-])cc1	45027530	RUYGGGAZECPZCI-UHFFFAOYSA-N	267.288	3.526	5	50	CHBA	
Cc1cc(Oc2ccccc2F)c(F)cc1[N+](=O)[O-]	33242	UBFAVEFOIMQKPK-UHFFFAOYSA-N	265.215	3.974	5	50	CHBA	
CCCCc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1	2498340	QMVOHFICEFYHMK-UHFFFAOYSA-N	288.303	3.783	5	50	CHBA	
O=[N+]([O-])c1ccc(Br)c(Cl)c1Cl	169132565	CGBNJGINUSPUGY-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA	
Cc1ccc(-c2cnc3ccccc3n2)cc1[N+](=O)[O-]	453313	VUSBPHDCOJBPIX-UHFFFAOYSA-N	265.272	3.513	5	50	CHBA	
Cc1ccccc1-c1cn2cc([N+](=O)[O-])c(C)cc2n1	1775970145	DFIJOZAGZYJOBZ-UHFFFAOYSA-N	267.288	3.526	5	50	CHBA	
O=Cc1ccc(Sc2ccccc2)c([N+](=O)[O-])c1	153672	ATBVFIKZUSBTDE-UHFFFAOYSA-N	259.286	3.559	5	50	CHBA	
CCSc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	1058824	BYMPFYTVARGUKC-UHFFFAOYSA-N	251.229	3.726	5	50	CHBA	
O=C(OCc1ccccc1Cl)c1cccc([N+](=O)[O-])c1	471675	YTEVTPVASYUXEH-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1cc2ccccc2o1	4036907	PBVITZSQHHOLMK-UHFFFAOYSA-N	282.255	3.593	5	50	CHBA	
O=[N+]([O-])c1ccc(F)c(F)c1Nc1ccccc1	95496074	XUIVIJFKGLNRMK-UHFFFAOYSA-N	250.204	3.617	5	50	CHBA	
O=C(O)c1cc2ccc3c4ccccc4[nH]c3c2cc1O	1689062	ONMDNQFBIVCMAS-UHFFFAOYSA-N	277.279	3.878	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2cn3c4c(sc3n2)CCCC4)cc1	4025537	XMFNSEDROOHGBY-UHFFFAOYSA-N	299.355	3.850	5	50	CHBA	in-vitro
Cc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1	102857	RLMCOQACEIMCJK-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
CC1(C)C[C@H]2C[C@@](C)(CN2Cc2ccc([N+](=O)[O-])cc2)C1	100414190	VWWZPIRISOLYAP-DOTOQJQBSA-N	288.391	3.995	5	50	CHBA	
Cc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1Cl	103114	HEIDKHOGSPPENT-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1nc2ccccc2nc1-c1ccc([N+](=O)[O-])cc1	186653	JPDRJECJACBTTE-UHFFFAOYSA-N	265.272	3.513	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc2ccccc2o1	463161	HHYURZZZQAYGET-UHFFFAOYSA-N	296.282	3.902	5	50	CHBA	
CCc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	12860861	GOKZEWOXDKKQNW-DHZHZOJOSA-N	296.326	3.809	5	50	CHBA	
CCc1cccc(CC)c1NC(=O)c1cccc([N+](=O)[O-])c1	145151	NBGFAIQGKHOANV-UHFFFAOYSA-N	298.342	3.972	5	50	CHBA	
CCC[C@]1([N+](=O)[O-])c2ccccc2-c2ccc([N+](=O)[O-])cc21	1704084	HBZNMTIZYWWENA-INIZCTEOSA-N	298.298	3.896	5	50	CHBA	
O=[N+]([O-])c1cc(OC(F)F)cc(Cl)c1Cl	263623026	CYDWDKLKZXEEEO-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
COc1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1OC	725264161	MWRMSDYINAEHGH-UHFFFAOYSA-N	273.288	3.587	5	50	CHBA	
CCC(=O)c1ccc(N[C@H](C)c2ccncc2)c([N+](=O)[O-])c1	240551632	GVAHNSGNLWNEGD-LLVKDONJSA-N	299.330	3.756	5	50	CHBA	
O=[N+]([O-])c1ccc(CNc2cccc(Cl)c2)s1	279729	CHYGICNYZYENKZ-UHFFFAOYSA-N	268.725	3.922	5	50	CHBA	
O=[N+]([O-])c1cc(Br)c(F)c(C(F)(F)F)c1	238553479	SMWBEODPKNIOGO-UHFFFAOYSA-N	287.994	3.515	5	50	CHBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(F)cc1	437653	CXGLHGTWXAFUCW-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CC(C)N(C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C	258840310	ZXGDCYWULGRADW-UHFFFAOYSA-N	299.758	3.899	5	50	CHBA	
Cc1c(NC(=O)c2ccc(Cl)s2)cccc1[N+](=O)[O-]	1052080	LVSTUJBWBBDBOH-UHFFFAOYSA-N	296.735	3.870	5	50	CHBA	
CC(C)(C)NCc1ccc(-c2ccc([N+](=O)[O-])cc2)o1	236662255	BZMMGLJQCDAVKU-UHFFFAOYSA-N	274.320	3.743	5	50	CHBA	
COC(=O)c1c2ccccc2c([N+](=O)[O-])c2ccccc12	1041004	YSHFHBRPADLINZ-UHFFFAOYSA-N	281.267	3.688	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCc1cccnc1	4719238	JZEHDHSDXXQIIM-UHFFFAOYSA-N	297.236	3.621	5	50	CHBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cccc(F)c1	2585080	OZEOTJUUJFBVPE-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
C[C@H](NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccc1	471222	UPXXSWQIWOPHAP-STQMWFEESA-N	298.342	3.576	5	50	CHBA	
O=[N+]([O-])c1ccc2c(ccn2Cc2ccccc2)c1	38337310	LONPVIGEVNTHTN-UHFFFAOYSA-N	252.273	3.598	5	50	CHBA	
O=[N+]([O-])c1ccc2c(c1)CSc1nc3ccccc3n1-2	33625	DRBYJEQYBVUMKA-UHFFFAOYSA-N	283.312	3.539	5	50	CHBA	
O=C(Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1	103271	CMCSZICPDJMTCF-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
Cc1ccc(NC(=O)Nc2cccc([N+](=O)[O-])c2)cc1	3958899	JMGRECZBDCOKFN-UHFFFAOYSA-N	271.276	3.547	5	50	CHBA	
O=[N+]([O-])c1ccc(Cc2c(F)cc(F)cc2F)cc1	435818	FPDDUYHAJBDBCF-UHFFFAOYSA-N	267.206	3.603	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C/c2ccccc2)c([N+](=O)[O-])c1	1666842	YHUVJTKXOKHAQP-VOTSOKGWSA-N	270.244	3.673	5	50	CHBA	
COc1cc(/C=C\[N+](=O)[O-])ccc1OCc1ccccc1	4523310	YDGNRJKNDGBMCL-KTKRTIGZSA-N	285.299	3.522	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2csc(C(F)(F)F)n2)c1	221526170	RTGRZWBWJOMKGP-UHFFFAOYSA-N	274.223	3.737	5	50	CHBA	
CC(C)(C)Oc1ccc([N+](=O)[O-])cc1Br	95616308	KMOHHDFKKROOFJ-UHFFFAOYSA-N	274.114	3.535	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)N1C[C@H]2CCC[C@H]2C1	182842707	LCKGTBWBHRWFFD-MELADBBJSA-N	274.364	3.696	5	50	CHBA	
Cc1ccc(OCc2cccc([N+](=O)[O-])c2)cc1C	471557	DTBICISRRZRIMB-UHFFFAOYSA-N	257.289	3.791	5	50	CHBA	
O=[N+]([O-])c1ccc(CNC2CCCCC2)cc1Cl	185264904	HGXHNRXHSMQQIQ-UHFFFAOYSA-N	268.744	3.671	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCCC[C@H]2C(F)(F)F)cc1	85652851	NHFQAPYABNRJNC-NSHDSACASA-N	274.242	3.516	5	50	CHBA	
Cc1cccc(Oc2ncnc3ccsc23)c1[N+](=O)[O-]	339288543	CLLIHEDGIXKSSU-UHFFFAOYSA-N	287.300	3.700	5	50	CHBA	
O=C(CC1CCCCC1)Nc1ccccc1[N+](=O)[O-]	4803007	WRVHVIUADMDAAC-UHFFFAOYSA-N	262.309	3.504	5	50	CHBA	
CCc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1	2156362	YYGUCDBUNSGKMO-UHFFFAOYSA-N	288.278	3.549	5	50	CHBA	
CC1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	15443348	JIKFZZJFHJXBMV-UHFFFAOYSA-N	288.269	3.850	5	50	CHBA	
Cc1c(C(=O)NCCC2=CCCCC2)cccc1[N+](=O)[O-]	291620	QIDABXJLBCWPLB-UHFFFAOYSA-N	288.347	3.524	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NCc1c[nH]c2ccccc12	4982192	LUDGSHPNABFBSG-UHFFFAOYSA-N	281.315	3.997	5	50	CHBA	
Nc1ccc([N+](=O)[O-])cc1-c1nc(-c2ccccc2)cs1	219036220	FSEYQHXDVSVHJO-UHFFFAOYSA-N	297.339	3.968	5	50	CHBA	
O=[N+]([O-])c1ccccc1Nc1nc(-c2ccncc2)cs1	5064758	PWTGCUQAHSEGAV-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)cc(NCc2ccccc2)c1	261493807	JUUWGYAPLVSQLX-UHFFFAOYSA-N	262.696	3.860	5	50	CHBA	
CC(C)COc1cc(C(F)(F)F)ccc1[N+](=O)[O-]	261493830	KDOCMWUAYDLLEK-UHFFFAOYSA-N	263.215	3.648	5	50	CHBA	
CCc1ccccc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	450265	ZBTHSZTWSMLTCR-FMIVXFBMSA-N	296.326	3.809	5	50	CHBA	
O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1F	437408	JPKRRHBGUIIOBR-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
O=C(Nc1ccccc1)c1cc(Cl)ccc1[N+](=O)[O-]	5684008	KJXQFOZMYIGIQB-UHFFFAOYSA-N	276.679	3.501	5	50	CHBA	
O=[N+]([O-])c1ccc(Nc2c[nH]c3ccccc23)cc1	3880244	PLTRCUJOLFOEDD-UHFFFAOYSA-N	253.261	3.820	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C\c2cccs2)c([N+](=O)[O-])c1	4582919	YBAXMZWUGOEWPM-XQRVVYSFSA-N	276.273	3.735	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(F)c1	4690711	DITIDIZTGJXOOC-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CC(C)[N+](C)(C)C[C@@H](O)c1ccc(Cl)c(Cl)c1	394703	PPELRIPURGTPQP-CYBMUJFWSA-N	277.215	3.512	5	50	CHBA	
Cc1cccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1	471667	KGIWSUISUKSWAI-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
CC[C@@H](c1ccncc1)N(C)/C=C/c1ccc([N+](=O)[O-])o1	225847449	XNHNZMCOAQPZQD-ZHZWZMEUSA-N	287.319	3.637	5	50	CHBA	
C[C@H](c1ccccc1)n1cnc2cc([N+](=O)[O-])ccc21	1060304	IWGVZBKCNAMNAE-LLVKDONJSA-N	267.288	3.554	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2noc(C3CCCCC3)n2)cc1	2956222	QCKSSCILOJWUDG-UHFFFAOYSA-N	273.292	3.693	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccc(Oc2ccccc2F)c(F)c1	221290815	OSMLKZHXDHKKLT-UHFFFAOYSA-N	251.188	3.665	5	50	CHBA	
Cc1c(F)ccc([N+](=O)[O-])c1OCc1ccccc1	585656403	VYFOIXVXZYONKY-UHFFFAOYSA-N	261.252	3.621	5	50	CHBA	
O=[N+]([O-])c1ccc(OCc2ccccc2)c(Cl)c1	133502	KCGQYXJMQHAREQ-UHFFFAOYSA-N	263.680	3.827	5	50	CHBA	
Cc1ccc(-c2nc(-c3cccc([N+](=O)[O-])c3)no2)c(C)c1	514650	HZYAFRKMTCMIPS-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
Cc1ccc(OC(=O)c2cccc([N+](=O)[O-])c2C)cc1C	3566171	ZXYNSRGHDPBUIT-UHFFFAOYSA-N	285.299	3.739	5	50	CHBA	
C[N+]1(C)Cc2ccccc2C[N+](C)(C)Cc2ccccc2C1	3132296	ZYMKKTGMNBHLDS-UHFFFAOYSA-N	296.458	3.553	5	50	CHBA	
CCCN(Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1	215880	XIWGDOHOHLCUAY-UHFFFAOYSA-N	282.771	3.870	5	50	CHBA	
O=C(Nc1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cc1	437390	XWJPFTGHAHKVPL-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
O=C(Nc1cc([N+](=O)[O-])ccc1F)c1ccccc1Cl	437824	RNKVTOGYKGPJLB-UHFFFAOYSA-N	294.669	3.640	5	50	CHBA	
CC(=O)Oc1cc2c([N+](=O)[O-])c(C)oc2c2ccccc12	2993024	MIWVLIGAIPBGPV-UHFFFAOYSA-N	285.255	3.728	5	50	CHBA	
O=[N+]([O-])c1cc(F)ccc1-c1ccnc(C(F)F)c1	725273565	LJHWDKYKVOZLIG-UHFFFAOYSA-N	268.194	3.734	5	50	CHBA	
Cc1cccc(C)c1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1	129533	OWXXBUFQPMAGFQ-MDZDMXLPSA-N	297.310	3.830	5	50	CHBA	
Cc1ccc(Sc2nc3sccn3c2[N+](=O)[O-])cc1	1395912	IXFDICCHPXKQQA-UHFFFAOYSA-N	291.357	3.764	5	50	CHBA	
CC[C@@H](C)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	4841933	APYQNDVCRCGIEW-SNVBAGLBSA-N	288.303	3.954	5	50	CHBA	
Cc1ccc(C)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	102978	NSQIZPVQQLOGTK-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccccc1CNC1C2CC3CC(C2)CC1C3	293231	OPAIDXBKFDKJEL-UHFFFAOYSA-N	286.375	3.509	5	50	CHBA	
Cc1cc(Br)cc([N+](=O)[O-])c1OCC(C)C	85477320	HPYQEDDPXXYXII-UHFFFAOYSA-N	288.141	3.701	5	50	CHBA	in-vitro
Cc1c(C=O)c2cc([N+](=O)[O-])ccc2n1Cc1ccccc1	3879686	MWDBTUUEGXVYOJ-UHFFFAOYSA-N	294.310	3.719	5	50	CHBA	
Cc1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	442317	YSOMNKJQXKXVPD-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C	441601	UIBJHUKHAQHIAF-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc(C(F)(F)F)c(C(F)(F)F)c1	2568778	QGNGVSKFAUEJDF-UHFFFAOYSA-N	259.105	3.632	5	50	CHBA	in-vitro
COc1ccc(/C=C/[N+](=O)[O-])cc1OCc1ccccc1	56868	JNMKPRLNICRRIV-MDZDMXLPSA-N	285.299	3.522	5	50	CHBA	in-vitro
O=c1c2ccccc2c2cc3c(=O)c4ccccc4c3cc12	34303201	AAUHGKXJBZEARK-UHFFFAOYSA-N	282.298	3.895	5	50	CHBA	
O=C(O)/C=C/c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1	160518	WQADAPOGGCODCY-ZZXKWVIFSA-N	293.662	3.606	5	50	CHBA	
Cc1cc(Cl)ccc1Oc1cc(N)cc([N+](=O)[O-])c1	2549469	AFEXWGYVPLBGCW-UHFFFAOYSA-N	278.695	3.931	5	50	CHBA	
O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C1CC1	2898861	GILWENGFFFOTED-UHFFFAOYSA-N	282.299	3.610	5	50	CHBA	
C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Cl)cc1[N+](=O)[O-]	264036	GUNJXGWVQIFLMB-UWVGGRQHSA-N	296.754	3.651	5	50	CHBA	
O=[N+]([O-])c1ccc(Cl)cc1CNc1cccc(F)c1	280180	HCTWKXGXJOZJQQ-UHFFFAOYSA-N	280.686	3.999	5	50	CHBA	
O=[N+]([O-])c1cc(CO)ccc1Oc1ccc(Cl)cc1	1388955	QQEZMYSHTRTBSC-UHFFFAOYSA-N	279.679	3.533	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NCc1ccccc1F	4309320	DDYMGKOGLQVNPA-UHFFFAOYSA-N	260.268	3.654	5	50	CHBA	
CC(C)(C)c1cc(Br)c(F)c([N+](=O)[O-])c1	261494036	OHHFVYJYOJVVJB-UHFFFAOYSA-N	276.105	3.794	5	50	CHBA	
O=[N+]([O-])c1ccc2nc(Sc3ccccn3)sc2c1	79516	OCWAPXIQEOFXMT-UHFFFAOYSA-N	289.341	3.751	5	50	CHBA	
Cc1cc2c(cc1C)[C@@H](c1ccccc1[N+](=O)[O-])CC(=O)N2	107525	UZARBTZAPXMBJC-CYBMUJFWSA-N	296.326	3.686	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2cn3cc(Cl)ccc3n2)c1	1390339	ACAHEOPNBDWFGU-UHFFFAOYSA-N	273.679	3.563	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])c(Cl)c1	4755410	BQUNGPFOOMXBHM-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc(NCCC(=O)c2cccc([N+](=O)[O-])c2)cc1	446436	FGOWFHHPAXCALY-UHFFFAOYSA-N	284.315	3.588	5	50	CHBA	
O=C(Nc1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2	610211	DTEWCMYGXOZQQX-UHFFFAOYSA-N	297.314	3.728	5	50	CHBA	
O=[N+]([O-])c1ccc(CNCCc2ccc(Cl)cc2)cc1	19642658	VKSAPVXGGRBLCF-UHFFFAOYSA-N	290.750	3.581	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(OC(F)F)cc1Cl	263623255	FYMMUVUVYJQVRR-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
Cc1cc(C)cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1	272068	ZFUQNHMYTICAAL-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=C(Nc1ccccc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	46417	OQJDQDXEQHXDSP-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
Cc1ccccc1-c1nnc(-c2cccc([N+](=O)[O-])c2)o1	292590	MLVWRPUKMOOSFD-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
CC[C@H](C)Oc1c(Cl)cc(/C=C\[N+](=O)[O-])cc1OC	4739807	MFBBBQDHJFZUGP-UDIARPCQSA-N	285.727	3.773	5	50	CHBA	
Cc1cc(Cl)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1	122478	MFEVTDYQGOHNHC-UHFFFAOYSA-N	291.690	3.776	5	50	CHBA	
Cc1cc2sc3ccccc3c(=O)c2c(C)c1O	4006741	ABQQKCWREBFTSV-UHFFFAOYSA-N	256.326	3.737	5	50	CHBA	
CC(C)Cc1c2cnn(C)c2nc2c1oc1cc(O)ccc12	253412627	RONQYDURHAOVNK-UHFFFAOYSA-N	295.342	3.772	5	50	CHBA	biogenic
O=C(NC1CCCCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	211770	OGXASEGRFJPDMO-UHFFFAOYSA-N	296.754	3.701	5	50	CHBA	
Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1[N+](=O)[O-]	300949	DFDDCJNNUNSRLF-CABCVRRESA-N	296.326	3.645	5	50	CHBA	
Nc1cc(SCCCc2ccccc2)cc([N+](=O)[O-])c1	2944909	VXWWJBQNXCOYDB-UHFFFAOYSA-N	288.372	3.902	5	50	CHBA	
Cc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1C	316024	RERGYQSRIINRFC-DHZHZOJOSA-N	296.326	3.864	5	50	CHBA	
O=[N+]([O-])c1ccc(CN[C@H]2CCCc3ccccc32)cc1	4891755	SXADGYYMOIHTNA-KRWDZBQOSA-N	282.343	3.762	5	50	CHBA	
CC(C)n1cc(Br)c2ccc([N+](=O)[O-])cc21	116711647	DCBAZORRKGEPNV-UHFFFAOYSA-N	283.125	3.893	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)ccc1N1CCCCCC1	238791133	SNCUCURWDFQASZ-UHFFFAOYSA-N	254.717	3.629	5	50	CHBA	
CCC[C@@H](C)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	373120	PHWOIENZGZMFMH-MRVPVSSYSA-N	270.716	3.623	5	50	CHBA	
Cc1ccc2c(c1C)NC(=O)C[C@H]2c1ccccc1[N+](=O)[O-]	427733	VDQVYNJTDYTLFB-AWEZNQCLSA-N	296.326	3.686	5	50	CHBA	
Cc1ccc(C)c(NCc2ccccc2[N+](=O)[O-])c1	436873	PTCKFLKFDKUDNH-UHFFFAOYSA-N	256.305	3.824	5	50	CHBA	
Cc1ccc(C(C)(C)OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	3132294	GKUNMCNWNGRCJW-UHFFFAOYSA-N	299.326	3.995	5	50	CHBA	
CCCCOc1ccc([N+](=O)[O-])cc1C(F)(F)F	147547846	DNQROANXRZRRKZ-UHFFFAOYSA-N	263.215	3.793	5	50	CHBA	
CCCCOc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1	261493577	DZRKAPVHBOFTDU-UHFFFAOYSA-N	279.214	3.672	5	50	CHBA	
CCc1ccc(-c2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1	465250	AAPMJTJXKCDMCY-UHFFFAOYSA-N	295.298	3.874	5	50	CHBA	
CCC(CC)C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	461775	YURQDQPAVBWRPC-UHFFFAOYSA-N	270.716	3.623	5	50	CHBA	
Cc1ccc(Cl)cc1NC(=O)c1ccc([N+](=O)[O-])cc1	224431	GLBGGOVGKOGHNE-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1cc(C(=O)N(CC(C)C)CC(C)C)ccc1[N+](=O)[O-]	476045	XWDSGPSFYKLLPN-UHFFFAOYSA-N	292.379	3.657	5	50	CHBA	
O=[N+]([O-])c1ccc2nc(-c3cccc(Cl)c3)n(O)c2c1	3063711	BYJZPEOYJOJURF-UHFFFAOYSA-N	289.678	3.502	5	50	CHBA	
Cc1ccc(NC(=O)/C=C/c2cccs2)c([N+](=O)[O-])c1	4646927	QHMBPYUXAWTSBS-FNORWQNLSA-N	288.328	3.617	5	50	CHBA	
O=[N+]([O-])c1cccc2cc(Br)ccc12	346152	PDWYRGAWLCDGMW-UHFFFAOYSA-N	252.067	3.511	5	50	CHBA	
CC(C)(C)c1cc([N+](=O)[O-])c(C(C)(C)C)cc1N	7023213	XRFYVDUUXWYGQC-UHFFFAOYSA-N	250.342	3.772	5	50	CHBA	
Cc1ccc(-c2noc(-c3ccc(C)c([N+](=O)[O-])c3)n2)cc1	447546	GOAPBXATBWQGFM-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C/c2ccc3ccccc3n2)o1	4844926	VCMFYVDIWRALAP-BQYQJAHWSA-N	266.256	3.906	5	50	CHBA	
CC(C)Oc1ccc([N+](=O)[O-])c(Cl)c1Cl	261494131	QPESCWVLWYRRLI-UHFFFAOYSA-N	250.081	3.689	5	50	CHBA	
CC(C)(C)CC(C)(C)NC(=O)c1ccccc1[N+](=O)[O-]	2865385	PGLILHAJCVTRRW-UHFFFAOYSA-N	278.352	3.539	5	50	CHBA	
CC(C)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl	261494507	ZKYODQFNUNVLNY-UHFFFAOYSA-N	250.081	3.689	5	50	CHBA	
Nc1nc(-c2ccccc2)c(-c2ccc([N+](=O)[O-])cc2)s1	34182	DABFRTXQVAEIHW-UHFFFAOYSA-N	297.339	3.968	5	50	CHBA	
CCN(Cc1ccccc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1	271628	IIJTYHVAFUBFRM-UHFFFAOYSA-N	298.342	3.566	5	50	CHBA	
O=C(OCc1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1	572010	GDEVFTDXWFBNLM-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
Cc1c(C)c([N+](=O)[O-])c(C(C)(C)C)c([N+](=O)[O-])c1C	1718853	MINYPECWDZURGR-UHFFFAOYSA-N	266.297	3.726	5	50	CHBA	biogenic
Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-]	102968	JOXZBGUQDYQMPE-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])c1ccc(-c2noc(CC3CCCCC3)n2)cc1	316329	YSMULTKZNKOKRG-UHFFFAOYSA-N	287.319	3.768	5	50	CHBA	
CC(=O)c1c(-c2ccccc2)c2cc([N+](=O)[O-])ccc2n1C	448354	UFCZHNQWWRBLTH-UHFFFAOYSA-N	294.310	3.956	5	50	CHBA	
Cc1ccc(NC(=O)N(C(C)C)C(C)C)cc1[N+](=O)[O-]	2170965	FDLAEZFCEGHOMI-UHFFFAOYSA-N	279.340	3.554	5	50	CHBA	
CO[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1ccccc1	4557353	GBDHCPARITZTJQ-HNNXBMFYSA-N	257.289	3.525	5	50	CHBA	
CCc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1	4813880	OUFFELDKGZEMLU-UHFFFAOYSA-N	284.315	3.718	5	50	CHBA	
CCN(Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1	4988693	KWZBAJPFRDZPMM-UHFFFAOYSA-N	270.332	3.617	5	50	CHBA	
CCc1cnccc1[C@@H](C)NCc1cccc([N+](=O)[O-])c1C	253418334	OEBZTGVWMGLGAQ-CYBMUJFWSA-N	299.374	3.711	5	50	CHBA	
CCc1nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	349731	VEHUKOKYDKXQSJ-UHFFFAOYSA-N	281.315	3.555	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC1CCCC1	476876	LTCJYVAYAQBFKY-UHFFFAOYSA-N	276.336	3.812	5	50	CHBA	
O=[N+]([O-])c1cccc2c(Br)cccc12	1577118	OTYRDQXZRJZHOX-UHFFFAOYSA-N	252.067	3.511	5	50	CHBA	in-vitro
COc1ccc([N+](=O)[O-])cc1N[C@H]1CCC[C@H](C)C1	228388	QQPFOHQPSUCHNZ-QWRGUYRKSA-N	264.325	3.594	5	50	CHBA	
Cc1ccccc1Cn1cnc2c([N+](=O)[O-])c(C)c(C)cc21	4052390	HBCDAHFOUVOLIX-UHFFFAOYSA-N	295.342	3.918	5	50	CHBA	
CCCN(Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1	42909	PSFNOBWNCKYXJA-UHFFFAOYSA-N	282.771	3.870	5	50	CHBA	
O=[N+]([O-])c1ccc(CNc2ccc(Cl)cc2)cc1	873972	NRSVSLWVTAGJQH-UHFFFAOYSA-N	262.696	3.860	5	50	CHBA	
CN(C(=O)OC(C)(C)C)c1ccc([N+](=O)[O-])c(Cl)c1	261493694	HEJBHJQFNGWVRH-UHFFFAOYSA-N	286.715	3.620	5	50	CHBA	
CC[N+]1(C2CCC([N+]3(CC)CCCC3)CC2)CCCC1	606422334	NWUNABAELFBWDX-UHFFFAOYSA-N	280.500	3.559	5	50	CHBA	
Cc1cc2c(cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)CC(=O)N2	91734	QAUKYGUCLDVAMS-CQSZACIVSA-N	296.326	3.686	5	50	CHBA	
O=[N+]([O-])c1ccc(Sc2nc3ccccc3s2)nc1	91027	PBCTUBOKJZTANL-UHFFFAOYSA-N	289.341	3.751	5	50	CHBA	
CC(C)N(Cc1ccccc1)C(=O)c1ccccc1[N+](=O)[O-]	271630	IDOPNTICQLVTAS-UHFFFAOYSA-N	298.342	3.646	5	50	CHBA	
O=[N+]([O-])c1cccc(-c2nc3c(c(=S)[nH]2)CCCC3)c1	6414746	UXENKKPUEDIECE-UHFFFAOYSA-N	287.344	3.593	5	50	CHBA	
Cc1ccc2cc([N+](=O)[O-])n(C(=O)OC(C)(C)C)c2c1	261493686	HATCVXSIXPUDAV-UHFFFAOYSA-N	276.292	3.641	5	50	CHBA	
Cc1cccc(-c2noc(-c3cccc([N+](=O)[O-])c3C)n2)c1	447756	WQOSPVHUHGTXBB-UHFFFAOYSA-N	295.298	3.929	5	50	CHBA	
COc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2)cc1	186928	PDFBJCRLHMEJQP-NSCUHMNNSA-N	255.273	3.774	5	50	CHBA	biogenic,in-vitro
O=[N+]([O-])c1ccccc1N1CC2(CCC2)[C@@H]1c1cccnc1	952964594	UQADOZRAJZXRCV-INIZCTEOSA-N	295.342	3.721	5	50	CHBA	
O=C(CCCc1ccccc1)Nc1ccccc1[N+](=O)[O-]	4755464	WVTBNVXPYAZZIR-UHFFFAOYSA-N	284.315	3.556	5	50	CHBA	
O=C(O)CCc1nc2ccccc2c2cc3ccccc3n12	71772289	OIGCSUDDXZEORM-UHFFFAOYSA-N	290.322	3.658	5	50	CHBA	
Nc1cc(Oc2ccc(F)c(Cl)c2)cc([N+](=O)[O-])c1	2549468	OQKSGEFVSDQJGA-UHFFFAOYSA-N	282.658	3.762	5	50	CHBA	
Cc1ccc2nc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3cc2c1	4535514	JMJJVRWXOLWQEO-UHFFFAOYSA-N	283.243	3.513	5	50	CHBA	
O=C(O)c1ccc(SC2CCCCC2)c([N+](=O)[O-])c1	4898817	QBNAVGCTRZCBGQ-UHFFFAOYSA-N	281.333	3.718	5	50	CHBA	
Cc1ccc(-c2cc(C(=O)O)cc([N+](=O)[O-])c2)c(Cl)c1	77031531	RZGAQDGKJGIPPL-UHFFFAOYSA-N	291.690	3.922	5	50	CHBA	in-vitro
CC[C@H]([C@H](Nc1ccccc1)c1ccccc1)[N+](=O)[O-]	187274	WRADNUIDLCNSHF-HZPDHXFCSA-N	270.332	3.895	5	50	CHBA	
CCCN(CCC)C(=O)Nc1ccc([N+](=O)[O-])cc1C	4583108	XASJQENKDYQGTF-UHFFFAOYSA-N	279.340	3.557	5	50	CHBA	
CC(=O)Nc1cc([N+](=O)[O-])cc2oc(-c3ccccc3)cc12	32779	VOXJPCBBPAGANF-UHFFFAOYSA-N	296.282	3.966	5	50	CHBA	
CC[C@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)CC	475787	PTVFYEMHSGOECA-RYUDHWBXSA-N	278.352	3.634	5	50	CHBA	
Cc1c(C(=O)NC(C)(C)CC(C)(C)C)cccc1[N+](=O)[O-]	4810789	KQUMWFPMLJGPRV-UHFFFAOYSA-N	292.379	3.848	5	50	CHBA	
Cc1cc([N+](=O)[O-])cnc1N1[C@H]2CC[C@H]1c1ccccc12	280324614	UEPGSODIAWKGII-GJZGRUSLSA-N	281.315	3.694	5	50	CHBA	
CCN(CC)CCNc1ccc([N+](=O)[O-])c2ccccc12	71771252	SGJVYSGWJQCJLY-UHFFFAOYSA-N	287.363	3.502	5	50	CHBA	
CC[C@H](C)N(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)CC	13882939	PTVFYEMHSGOECA-TXEJJXNPSA-N	278.352	3.634	5	50	CHBA	
CC[C@@H](Nc1ncc([N+](=O)[O-])s1)c1cccs1	189684903	DZPJKWHFOIACEA-SSDOTTSWSA-N	269.351	3.676	5	50	CHBA	
Cc1cccc(Cl)c1NC(=O)c1cccc([N+](=O)[O-])c1	103272	INFBGDMGDQVGAI-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccccc1-c1nc(-c2cccc([N+](=O)[O-])c2)no1	455393	MLNMVLXBACXGSE-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=C(CCCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1	4755322	QKXDOJLUTVSWSU-UHFFFAOYSA-N	284.315	3.556	5	50	CHBA	
CCCN(CCC)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1	2172207	NCTQOMQHVBXJNE-UHFFFAOYSA-N	279.340	3.557	5	50	CHBA	
O=[N+]([O-])c1ccc2c(Cl)c3ccccc3nc2c1	5373828	WYSFRKRTNWKBCD-UHFFFAOYSA-N	258.664	3.950	5	50	CHBA	
CC(C)(C)c1cc(Br)cc([N+](=O)[O-])c1	36532887	QMFJOTOFCGXDFO-UHFFFAOYSA-N	258.115	3.655	5	50	CHBA	
Cc1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1C	271538	XPVQWOBSIQJPNV-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
CCC[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl	373402	WFIDQERFJAORPY-MRVPVSSYSA-N	270.716	3.623	5	50	CHBA	
CC(=O)n1c2ccccc2c2c1c1ccccc1n2C	235489	AIZYMMAATPBKQJ-UHFFFAOYSA-N	262.312	3.946	5	50	CHBA	aggregator
O=[N+]([O-])c1ccc(Cl)c(-c2nnc(-c3ccco3)o2)c1	276097	MUARCVFOZNPMCB-UHFFFAOYSA-N	291.650	3.558	5	50	CHBA	
CCOc1ccc2[nH]c3nc4ccccc4nc3c2c1	5823165	UIPSZWQYKIDINB-UHFFFAOYSA-N	263.300	3.663	5	50	CHBA	
C=CSc1sc(Cl)c(N(C)C)c1[N+](=O)[O-]	4993938	APLSVTZJVMTITH-UHFFFAOYSA-N	264.759	3.611	5	50	CHBA	
Cc1cccc(C)c1COc1cc(F)ccc1[N+](=O)[O-]	96810247	AYFCVGCDTLNTPN-UHFFFAOYSA-N	275.279	3.930	5	50	CHBA	in-vitro
Cc1cc(-c2nnc(-c3ccccc3)o2)ccc1[N+](=O)[O-]	178561	XRTREHPVNFMZLI-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1NC(=O)Nc1cccc(F)c1	4771258	PGNLQWBDTNQYSI-UHFFFAOYSA-N	289.266	3.686	5	50	CHBA	
O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCCCC1	3997682	ZKCJWUWQXSPDEO-UHFFFAOYSA-N	274.242	3.604	5	50	CHBA	
CCCOc1cc([N+](=O)[O-])cc(C(F)(F)F)c1F	261493979	NENJQBWSXWOZMQ-UHFFFAOYSA-N	267.178	3.542	5	50	CHBA	
Cc1ccccc1/C(=C/c1ccccc1[N+](=O)[O-])C(=O)O	4566989	MLSKTVMSALZUQQ-UVTDQMKNSA-N	283.283	3.528	5	50	CHBA	
O=C(Nc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1	2164761	LRPVRAVNMJEPFH-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
CCCc1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1	149158	MGHWJCHONCJMRE-UHFFFAOYSA-N	285.299	3.767	5	50	CHBA	
Cc1cc([N+](=O)[O-])ccc1-c1cc2ccccc2oc1=O	259728	OBGHPOMRBVPWLM-UHFFFAOYSA-N	281.267	3.677	5	50	CHBA	
Cc1ccccc1-c1cn2cc(C)c([N+](=O)[O-])cc2n1	1775971203	XNVHLHUNTNRVCY-UHFFFAOYSA-N	267.288	3.526	5	50	CHBA	
C[N+](C)([O-])CCCN1c2ccccc2CCc2ccccc21	1557	QZIQORUGXBPDSU-UHFFFAOYSA-N	296.414	3.888	5	50	CHBA	in-man
CC[C@@](C)(c1ccc(C(=O)c2ccccc2)cc1)[N+](=O)[O-]	2141642	WUIIDEQESTVYRL-KRWDZBQOSA-N	283.327	3.820	5	50	CHBA	
Cc1ccc(NC(=O)c2cc3ccccc3o2)c([N+](=O)[O-])c1	3900129	JAHFPLSVQLCCHU-UHFFFAOYSA-N	296.282	3.902	5	50	CHBA	
CSc1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1	441204	SDTCNLPDXMHECT-UHFFFAOYSA-N	288.328	3.569	5	50	CHBA	
Cc1cccc(C)c1NC(=O)c1cccc(C)c1[N+](=O)[O-]	464494	JVKUOZKOHQHKFY-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C/c2cccc(F)c2)c([N+](=O)[O-])c1	2170532	PLJDBKSPMNOJRO-SNAWJCMRSA-N	288.234	3.813	5	50	CHBA	
C[C@@H]1CC2(CCCCC2)NCc2cc([N+](=O)[O-])ccc21	228775	NTQRKDJFPIIDQC-GFCCVEGCSA-N	274.364	3.895	5	50	CHBA	
COc1cccc2c1Oc1cc([N+](=O)[O-])cc3[nH]cc(c13)C2	1428668	VESNDRBMFNUHIJ-UHFFFAOYSA-N	296.282	3.781	5	50	CHBA	
O=[N+]([O-])c1ccc(CN2CCCC[C@@H]2c2cccnc2)cc1	64503618	ITBJQKLUNXZJNO-QGZVFWFLSA-N	297.358	3.717	5	50	CHBA	
O=[N+]([O-])c1ccc2c(c1)Cc1cc(Br)ccc1-2	1679729	QTQRHYLAOSURLC-UHFFFAOYSA-N	290.116	3.929	5	50	CHBA	in-vitro
CCCCNCCCCCOc1ccc([N+](=O)[O-])cc1	2901216	HPZZKCLGTZVLQC-UHFFFAOYSA-N	280.368	3.534	5	50	CHBA	
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccs1	3897704	QVKJKQKJNKPSAY-UHFFFAOYSA-N	282.708	3.562	5	50	CHBA	
CC(=O)n1c2ccc(C)cc2c2nc3ccccc3nc21	75965	FWQYJXDBSUPOJK-UHFFFAOYSA-N	275.311	3.706	5	50	CHBA	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)c(Cl)c1	4755426	BCJWMJWZLIZEDQ-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
Cc1ccc([C@H](OCC[N+](C)(C)C)c2ccccc2)cc1	284536	FERVXSHGEVPGHF-LJQANCHMSA-N	284.423	3.807	5	50	CHBA	in-vitro
O=[N+]([O-])c1ccccc1/C=C/CN1CCc2ccccc2C1	23281432	USCLYCOPAFLQHY-WEVVVXLNSA-N	294.354	3.666	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(OC(F)F)c(Cl)c1	263624541	RJHWNCHDYISUEU-UHFFFAOYSA-N	258.007	3.503	5	50	CHBA	
O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1	466849	VIYBOOLZRPKMSZ-UHFFFAOYSA-N	291.690	3.605	5	50	CHBA	
CC(=O)n1c2ccc(F)cc2c2nc3ccccc3nc21	75962	OBTLGGGHHWLVPT-UHFFFAOYSA-N	279.274	3.537	5	50	CHBA	
O=[N+]([O-])c1ccc(F)c(-c2ccc(F)c(F)c2F)c1	725271306	BXSSDGUFIZWJPH-UHFFFAOYSA-N	271.169	3.818	5	50	CHBA	
CC(C)c1ccccc1NC(=O)c1ccccc1[N+](=O)[O-]	122729	XKPRGOSIXUZKAC-UHFFFAOYSA-N	284.315	3.971	5	50	CHBA	
O=[N+]([O-])c1ccc2nonc2c1Nc1ccccc1Cl	4093889	GKWGHNBNQQCTTE-UHFFFAOYSA-N	290.666	3.528	5	50	CHBA	
O=[N+]([O-])c1ccc2c(c1)Sc1cc([N+](=O)[O-])ccc1N2	5390877	KCSURCKZGJUTCH-UHFFFAOYSA-N	289.272	3.711	5	50	CHBA	
Cc1ccc([C@H]2Oc3ccccc3C=C2[N+](=O)[O-])cc1	33963	QPKYMPPBOCVXOR-MRXNPFEDSA-N	267.284	3.746	5	50	CHBA	
O=C(CC1CCC1)Nc1cccc2c([N+](=O)[O-])cccc12	4380742	QLOAAGWVXBLHQE-UHFFFAOYSA-N	284.315	3.877	5	50	CHBA	
c1ccc2c(Cn3cncn3)c3ccccc3cc2c1	71783570	CTITYBLSBUISLI-UHFFFAOYSA-N	259.312	3.633	5	50	CHBA	
O=[N+]([O-])c1cccc(CNC2C3CC4CC(C3)CC2C4)c1	4685551	WGFCOZMYLMLJQL-UHFFFAOYSA-N	286.375	3.509	5	50	CHBA	
O=C(Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1	4794780	SHWIOIBCSREACF-UHFFFAOYSA-N	291.694	3.892	5	50	CHBA	
CCOC(=O)c1sc2cc([N+](=O)[O-])ccc2c1Cl	4611700	RMXOKWDCOUZLTK-UHFFFAOYSA-N	285.708	3.640	5	50	CHBA	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Cl	300545	WVMKIXPORUXIMJ-UHFFFAOYSA-N	290.706	3.809	5	50	CHBA	
O=[N+]([O-])c1ccccc1N[C@@H](c1cccnc1)C1CC1	242196986	XGSADAUXKXFEGY-OAHLLOKOSA-N	269.304	3.553	5	50	CHBA	
Cc1ccccc1NC(=S)Nc1cccc([N+](=O)[O-])c1	13483238	JVLLVKJKRVEOMS-UHFFFAOYSA-N	287.344	3.712	5	50	CHBA	
CC[C@@H](C)N(C(=O)c1ccc([N+](=O)[O-])cc1)[C@H](C)CC	376355	NVZVJFIPMRHUFI-VXGBXAGGSA-N	278.352	3.634	5	50	CHBA	
Cc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1	4794798	KQJSNQPZXALUGP-UHFFFAOYSA-N	285.303	3.856	5	50	CHBA	
O=[N+]([O-])c1cc(Cl)c(-n2cccc2)c(Cl)c1	138457	IJNFZAVVUKORSA-UHFFFAOYSA-N	257.076	3.692	5	50	CHBA	
CCCCCCOC(=O)Nc1ccc([N+](=O)[O-])cc1OC	4797184	SNBLMYYZXYRJTR-UHFFFAOYSA-N	296.323	3.732	5	50	CHBA	
O=Cc1cc([N+](=O)[O-])ccc1SC1CCCCC1	153673	KKPVOEAECFNQNB-UHFFFAOYSA-N	265.334	3.832	5	50	CHBA	
Cc1ccc2c(c1C)NC(=O)C[C@@H]2c1ccccc1[N+](=O)[O-]	427734	VDQVYNJTDYTLFB-CQSZACIVSA-N	296.326	3.686	5	50	CHBA	
CC(=O)[C@H](C)Oc1ccc2c(oc(=O)c3ccccc32)c1C	501113	PBGVVXOPIXJLHN-LBPRGKRZSA-N	296.322	3.611	5	50	CHBA	biogenic
CCOC(=O)c1ccc(NC2CCCCC2)c([N+](=O)[O-])c1	4624119	PALYDABJRIWMKF-UHFFFAOYSA-N	292.335	3.516	5	50	CHBA	in-vitro
Cc1ccc(-c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1	364002	MKOUNTLDPGHNHQ-UHFFFAOYSA-N	281.271	3.620	5	50	CHBA	
O=[N+]([O-])c1ccccc1Nc1nc(-c2cccnc2)cs1	5065346	JLESNICZRSLJKW-UHFFFAOYSA-N	298.327	3.857	5	50	CHBA	
Nc1ccc2sc3ccc(Cl)cc3c(=O)c2c1	40545005	FWASBYVCEVWNSY-UHFFFAOYSA-N	261.733	3.650	5	50	CHBA	
CC(=O)Oc1cc2c(=O)c3ccccc3sc2cc1C	4066068	XQFGEFRPOHYSNT-UHFFFAOYSA-N	284.336	3.648	5	50	CHBA	
CC(C)SCCCOc1ccccc1[N+](=O)[O-]	2494476	DJNFFCIQCBXQGL-UHFFFAOYSA-N	255.339	3.505	5	50	CHBA	
O=C(Nc1ccccc1[N+](=O)[O-])c1sccc1Cl	4542616	TVZGILURINMTRH-UHFFFAOYSA-N	282.708	3.562	5	50	CHBA	
O=C(Oc1ccc(F)cc1)c1cc([N+](=O)[O-])ccc1Cl	263584	CRVQFKLUDNUUPA-UHFFFAOYSA-N	295.653	3.607	5	50	CHBA	
Cc1cc(C)c(NC(=O)c2ccccc2C)c([N+](=O)[O-])c1	4873029	AAJGKGDWONPLCJ-UHFFFAOYSA-N	284.315	3.772	5	50	CHBA	
O=[N+]([O-])c1ccc(N2CCCCCC2)c(Cl)c1	238791130	YQJCKUFYSNESGZ-UHFFFAOYSA-N	254.717	3.629	5	50	CHBA	
CCc1ccc(/C(=C2/OC(=O)c3ccccc32)[N+](=O)[O-])cc1	295869	NPJGYLGVDIXMDJ-NXVVXOECSA-N	295.294	3.522	5	50	CHBA	
O=[N+]([O-])c1ccc(/C=C/c2ccccc2F)c([N+](=O)[O-])c1	2170540	DPYHHIORDFKQCX-AATRIKPKSA-N	288.234	3.813	5	50	CHBA	
CCCCCCNc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]	3877753	BYDTYPFJYXYPSO-UHFFFAOYSA-N	281.312	3.804	5	50	CHBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCc1ccccc1	458102	OFXZKWASLSCVJG-UHFFFAOYSA-N	298.342	3.865	5	50	CHBA	
CCC(=O)c1ccc(N[C@@H](C)c2ccncc2)c([N+](=O)[O-])c1	240551633	GVAHNSGNLWNEGD-NSHDSACASA-N	299.330	3.756	5	50	CHBA	
CC(C)(C)c1cc([N+](=O)[O-])cc(C(C)(C)C)c1O	2513362	FCGKUUOTWLWJHE-UHFFFAOYSA-N	251.326	3.895	5	50	CHBA	biogenic
O=[N+]([O-])c1cc(Cl)ccc1[S@](=O)Cc1ccccc1	5769203	QVBGKTCCLFJSGR-IBGZPJMESA-N	295.747	3.556	5	50	CHBA	
CC(C)CCC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	2989132	CMMWEUFNXBWUKR-LBPRGKRZSA-N	278.352	3.539	5	50	CHBA	
COc1ccc([N+](=O)[O-])cc1N[C@@H]1CCCC[C@@H]1C	437913	XLDWLDNJTCUERU-CMPLNLGQSA-N	264.325	3.594	5	50	CHBA	
O=Cc1ccc(SC2CCCCC2)c([N+](=O)[O-])c1	162094	SXIMCYMJTYWOMN-UHFFFAOYSA-N	265.334	3.832	5	50	CHBA	in-vitro
CCCSc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	261493400	AIOKHYQDWGWQJV-UHFFFAOYSA-N	266.244	3.511	5	50	CHBA	
O=[N+]([O-])c1cccc(Cl)c1CSc1ccccn1	468475	MZVDRUCTNMKWDE-UHFFFAOYSA-N	280.736	3.936	5	50	CHBA	
O=[N+]([O-])c1ccc(Sc2ccsc2)c([N+](=O)[O-])c1	1701427	GTQJGQZDMPQZOP-UHFFFAOYSA-N	282.302	3.716	5	50	CHBA	
O=[N+]([O-])c1cccc(CNC23CC4CC(CC(C4)C2)C3)c1	4030871	BOCVGZIFAMULNU-UHFFFAOYSA-N	286.375	3.653	5	50	CHBA	
Cc1ccc(C(=N)c2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])cc1	6283780	NOOJOFXFZHUELS-UHFFFAOYSA-N	299.286	3.536	5	50	CHBA	
Cc1cc(Oc2ccc(F)cc2)c(F)cc1[N+](=O)[O-]	437789	YUUNOLFDNFPXAC-UHFFFAOYSA-N	265.215	3.974	5	50	CHBA	
O=[N+]([O-])c1c(Cl)ccc(Br)c1Cl	263622946	CIMPUCQBTXFSHT-UHFFFAOYSA-N	270.897	3.664	5	50	CHBA