smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COc1cc(C(=O)N[C@H]2CCC(=O)NC2=O)c([N+](=O)[O-])cc1OC	344244244	JOCBZTCURGMSIF-QMMMGPOBSA-N	337.288	0.147	5	50	ECBA	
COCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	2813209	SNSAFVRKHYXWJX-UHFFFAOYSA-N	345.377	0.514	5	50	ECBA	
CCOC(=O)CNC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(C)=O	4755982	ILKCKLMFMNJADQ-MDWZMJQESA-N	335.316	0.751	5	50	ECBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ncc3c(n2)CCNC3)cc1	725374161	ICWIBGXCUZMYIY-UHFFFAOYSA-N	335.345	0.831	5	50	ECBA	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCCN(CCO)CC1	171506407	INLSUSITQDUUHF-UHFFFAOYSA-N	343.405	0.592	5	50	ECBA	
CS[C@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	228276130	MMYBALAEKGWLQO-RDDDGLTNSA-N	336.391	0.691	5	50	ECBA	
CCC(O)(CC)CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	339280880	GZMNBFVZTHNLEV-UHFFFAOYSA-N	345.377	0.523	5	50	ECBA	
CN(C)C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	4247833	SCBABRRJAYZIMK-UHFFFAOYSA-N	342.377	0.583	5	50	ECBA	
O=C(CCn1ccc([N+](=O)[O-])n1)N1CCN(C(=O)c2ccco2)CC1	2774890	VXUDANYZSRWRAK-UHFFFAOYSA-N	347.331	0.759	5	50	ECBA	
Cc1c([N+](=O)[O-])c(C(=O)N2CCN(C(=O)c3ccco3)CC2)nn1C	2767853	PVZXEAJQYRSUOD-UHFFFAOYSA-N	347.331	0.828	5	50	ECBA	
O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)ccc2c2ccccc12	254795773	XYWYWFCGRDAPEG-SCNOPHJPSA-N	344.319	0.764	5	50	ECBA	
O=C(O)COCC(=O)Nc1cc(SCCO)cc([N+](=O)[O-])c1	2760687	VYJJVMNRBQTHPM-UHFFFAOYSA-N	330.318	0.719	5	50	ECBA	biogenic
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=C[C@@]2(CO)O1	245226594	GAVVTURRVRJOGN-IATRGZMQSA-N	330.296	0.709	5	50	ECBA	
CCOC(=O)[C@@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(C)=O	3142211	SJSFXFJUJDOSND-SECBINFHSA-N	341.276	0.819	5	50	ECBA	
CC(C)(C(=O)NC[C@@H]1CN2CCN1CC2)c1ccc([N+](=O)[O-])cc1	269544937	ZNSBFMOIYQBDTH-OAHLLOKOSA-N	332.404	0.988	5	50	ECBA	
O=C1CC[C@@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)N1	269611406	RVNFSJCYXHXNOM-LLVKDONJSA-N	346.343	0.730	5	50	ECBA	
O=C(NCc1ccccn1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12360608	RVFFDJKUSASNSD-UHFFFAOYSA-N	329.276	0.548	5	50	ECBA	
O=C1CN(CCn2cc([N+](=O)[O-])ccc2=O)CN1CCC(F)(F)F	295115713	JCBRKYKDRQYKLQ-UHFFFAOYSA-N	348.281	0.811	5	50	ECBA	
Cc1nn(C)c(C(=O)N2CCN(C(=O)c3ccco3)CC2)c1[N+](=O)[O-]	376141	ZVCFUWRNWNVOHP-UHFFFAOYSA-N	347.331	0.828	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCOCC1	19286420	GSDXBEYNDGXYBB-UHFFFAOYSA-N	329.378	0.595	5	50	ECBA	
O=C(CCNS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCOCC1	5717632	UXHLEVGHXZQLSX-UHFFFAOYSA-N	343.361	0.122	5	50	ECBA	
COC(=O)c1cc(C)nc(N[C@@H](CO)CC2OCCO2)c1[N+](=O)[O-]	952881733	MOYGALMUAQOERH-SECBINFHSA-N	341.320	0.621	5	50	ECBA	
COc1nn([C@@H](C)c2nc3c4cnn(C)c4ncn3n2)cc1[N+](=O)[O-]	2803036	INWJJTVCNSLKIB-ZETCQYMHSA-N	343.307	0.734	5	50	ECBA	
CC(=O)OC1(OC(C)=O)C(=O)N(C(C)=O)c2ccc([N+](=O)[O-])cc21	670418843	JWMLOPTXMYOKQY-UHFFFAOYSA-N	336.256	0.767	5	50	ECBA	
CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	100753478	OWQOAHQMXWIAFZ-GHMZBOCLSA-N	346.299	0.284	5	50	ECBA	
COC(=O)c1ccc([N+](=O)[O-])c(N2CC(C)(N3CCOCC3)C2)n1	1775994813	GCZYBBQIZJSINK-UHFFFAOYSA-N	336.348	0.687	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	239338870	LISZCJNACBYSRK-APYUEPQZSA-N	330.296	0.790	5	50	ECBA	
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@H](Cc1ccccc1)C(=O)O	262060920	HCCXELWXLLGXNG-LBPRGKRZSA-N	332.316	0.851	5	50	ECBA	
Cc1cc(O)nc(N2CC[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)n1	952883078	WPUIEIWZWLDGOH-MRVPVSSYSA-N	332.324	0.462	5	50	ECBA	
COCCn1c(=N)c(C(=O)OC)cc2c(=O)n3cccc(C)c3nc21	100678138	SYXJDSBSZUVCGM-UHFFFAOYSA-N	342.355	0.870	5	50	ECBA	
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1N1CCOCC1	19758177	YTUUGZYACFXXEM-UHFFFAOYSA-N	336.392	0.546	5	50	ECBA	
CC(C)NS(=O)(=O)NCCNc1ncc([N+](=O)[O-])cc1Cl	328596338	IEGCSSCCRJDSNE-UHFFFAOYSA-N	337.789	0.888	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@@H]1CO	274060515	ABKVLCRCMTXFQJ-NEPJUHHUSA-N	339.348	0.360	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ccnnc2)CC1	952883350	ZYCHBIOHYDNVHF-UHFFFAOYSA-N	349.372	0.896	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	244724538	MWAWEQPSVBBHFO-VZAMPYOESA-N	330.296	0.790	5	50	ECBA	
Cn1c(=O)n(C)c2cc(/C=C\c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)ccc21	16361660	JANMKJRBGNAGCL-XQRVVYSFSA-N	343.299	0.745	5	50	ECBA	
Cc1nn(C)c(N2CC[C@@H](S(=O)(=O)N3CCCC3)C2)c1[N+](=O)[O-]	133699679	RUMRCCXPAFVGQO-LLVKDONJSA-N	343.409	0.641	5	50	ECBA	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)N1CCN(C)CC1	19288287	VPHYIXVPASWJLK-UHFFFAOYSA-N	346.185	0.636	5	50	ECBA	
Cn1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc(=O)n(C)c1=O	442580	NMMOYYQAODZTBA-UHFFFAOYSA-N	338.707	0.898	5	50	ECBA	
O=C(CCn1cnnn1)Nc1cc(SCCO)cc([N+](=O)[O-])c1	2780350	LUPAKDQDAKYNPV-UHFFFAOYSA-N	338.349	0.695	5	50	ECBA	
Cn1ncc(Br)c1C(=O)NCCn1cc([N+](=O)[O-])cn1	2776738	UPVLOAWTDSHBLI-UHFFFAOYSA-N	343.141	0.717	5	50	ECBA	
CN1CCN([C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)O)CC1	20362968	GFJPXYQWBVIZMD-CYBMUJFWSA-N	336.348	0.624	5	50	ECBA	
COCCCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21	100627956	ZJQBVHBJLJWNKA-UHFFFAOYSA-N	342.355	0.952	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@H](NCCO)C1	725372936	CTJWNMAUNUBQTG-NSHDSACASA-N	329.378	0.330	5	50	ECBA	
Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1	4742326	WCHWPZIXLVENBZ-JTQLQIEISA-N	340.299	0.810	5	50	ECBA	
CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@@H](CNS(N)(=O)=O)C1	192558567	ZNEBQRDVUWDRDE-JTQLQIEISA-N	346.413	0.129	5	50	ECBA	
COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)Cn1nccc1[N+](=O)[O-]	193317572	CGSADXOEQINMOJ-ZDUSSCGKSA-N	344.327	0.918	5	50	ECBA	
CN(C)C(=O)Cn1cc([N+](=O)[O-])s/c1=N\C(=O)c1ccncc1	17063656	LFVWDROJANTKDG-SQFISAMPSA-N	335.345	0.682	5	50	ECBA	
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]12	4873375	OWQOAHQMXWIAFZ-MNOVXSKESA-N	346.299	0.284	5	50	ECBA	
C=CC(=O)N(C)CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	858147400	NVYPEOJMDPIINA-UHFFFAOYSA-N	332.360	0.888	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C[C@H](C)O	289846928	PKTUIVFZYXLPEK-NSHDSACASA-N	341.364	0.607	5	50	ECBA	
CCNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)c1=N	100627893	QYXPAKCFSPKLSS-UHFFFAOYSA-N	341.371	0.525	5	50	ECBA	
Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1ccc([N+](=O)[O-])cc1	1393680	PQSPKSOYFWUNRV-UHFFFAOYSA-N	327.318	0.165	5	50	ECBA	
O=C(NC[C@@H](O)C1CC1)c1csc(N2CCC([N+](=O)[O-])CC2)n1	2325825097	DIODTSGDSPWPOD-GFCCVEGCSA-N	340.405	0.889	5	50	ECBA	
Cc1cc(OCC(=O)N(C2CC2)[C@@H]2CC(=O)NC2=O)ccc1[N+](=O)[O-]	280640271	CIZJABPUPWJFMJ-CYBMUJFWSA-N	347.327	0.688	5	50	ECBA	
CS(=O)(=O)CC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	4517226	KFPFJKADCNQPPQ-VIFPVBQESA-N	347.305	0.803	5	50	ECBA	
NS(=O)(=O)CCOCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-]	288174137	IQRSNASYUWKDAV-AATRIKPKSA-N	343.361	0.029	5	50	ECBA	
CNc1ccc([N+](=O)[O-])cc1-n1cc2c(=O)n(C)c(=O)n(C)c2c1	4140807	SDGOLJPZFNHAMS-UHFFFAOYSA-N	329.316	0.978	5	50	ECBA	
CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@@+]2(C)CC[C@@H](O)[C@@H]12)C(C)C	1775964699	ATTSKHOTAFAWSP-NHQZAOEJSA-N	328.429	0.471	5	50	ECBA	
CNS(=O)(=O)CC(=O)Nc1cc(C(=O)OC)cc([N+](=O)[O-])c1C	408514508	GWFOOMHCWHHEHG-UHFFFAOYSA-N	345.333	0.178	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC[C@@H](NCCO)C1	725372935	CTJWNMAUNUBQTG-LLVKDONJSA-N	329.378	0.330	5	50	ECBA	
Cc1c([N+](=O)[O-])ccc(=O)n1CC(=O)NC(=O)NCc1ccco1	253425747	WCCGNDHIAQGEJD-UHFFFAOYSA-N	334.288	0.684	5	50	ECBA	
COC(=O)[C@@H](CO)Nc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]	6136093	UAEHXCBNOOILDR-ZCFIWIBFSA-N	329.221	0.147	5	50	ECBA	
O=C(NCc1ccncc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12360667	CQKGBRLIVGCWEN-UHFFFAOYSA-N	329.276	0.548	5	50	ECBA	
CC(C)(C)C(=O)NCCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-]	299536262	HXOADBVXLGLSJT-UHFFFAOYSA-N	344.393	0.816	5	50	ECBA	
CCOc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	239328988	JZIXSJLUBHNHOB-NXNTXSBFSA-N	328.321	0.233	5	50	ECBA	biogenic
CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@@H]1CC(=O)N(C)C1=O	283570188	OKXXCCRYLGQZDU-SECBINFHSA-N	337.336	0.246	5	50	ECBA	
Cc1ccc(C(=O)N2CCN(S(C)(=O)=O)CC2)cc1[N+](=O)[O-]	4805035	LENLXUCTDXZEMS-UHFFFAOYSA-N	327.362	0.621	5	50	ECBA	
COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1	101198091	PMUABOSFLCFYPJ-DVZHBHJUSA-N	346.295	0.409	5	50	ECBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(N(C)C)n[nH]1	874435290	QTKZNSKDFQETIX-UHFFFAOYSA-N	340.365	0.566	5	50	ECBA	
N=c1c(C(N)=O)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	100627333	QSOWJENQBBASHJ-SNVBAGLBSA-N	339.355	0.407	5	50	ECBA	
CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	4505342	JSPYSPFPYGKWQT-LLVKDONJSA-N	348.402	0.793	5	50	ECBA	
CCOC(=O)N1CCN(C(=O)CCn2ncc([N+](=O)[O-])c2C)CC1	2793354	MRTHFSASVHPZAP-UHFFFAOYSA-N	339.352	0.791	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12	244724537	MWAWEQPSVBBHFO-APYUEPQZSA-N	330.296	0.790	5	50	ECBA	
NC(=O)COc1ccccc1/C=C/c1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	15230453	UCHUKJLFMCMRQL-AATRIKPKSA-N	332.272	0.006	5	50	ECBA	
CCn1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C(N)=O)n1	2781834	HCZOQOOBBBMDJK-UHFFFAOYSA-N	335.324	0.444	5	50	ECBA	
O=[N+]([O-])c1ccc(S(=O)(=O)CCN2CCN3CC[C@H]2C3)cc1	408523101	GTQFHBOENHVJPR-ZDUSSCGKSA-N	325.390	0.758	5	50	ECBA	
CCO[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)C[C@H]1CN	405639369	CFGHOKQRMMPAPD-ZWNOBZJWSA-N	329.378	0.579	5	50	ECBA	
CN1CCC[C@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])s2)CC1	192494681	MDZGMDMUHUAKMF-JTQLQIEISA-N	325.394	0.794	5	50	ECBA	
O=[N+]([O-])c1ccc(N2CCC(N3CCS(=O)(=O)CC3)CC2)nc1	134081445	CWNNSEZEPMQOQA-UHFFFAOYSA-N	340.405	0.689	5	50	ECBA	
CON1CCN(CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	328596824	ALRISWVCTITRDR-UHFFFAOYSA-N	329.378	0.548	5	50	ECBA	
Cn1cc(/C=C(/C(=O)NC[C@@H]2CCCO2)n2cc([N+](=O)[O-])cn2)cn1	6828117	JERZMRBWUJQCGF-FGFBTAOXSA-N	346.347	0.818	5	50	ECBA	
CC[C@H](C)[C@@H](O)CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	339225706	ZUDXJGPXBXOQKM-KWQFWETISA-N	345.377	0.379	5	50	ECBA	
NS(=O)(=O)c1cc([N+](=O)[O-])ccc1N1CCN2CCCC[C@H]2C1	252477451	OEDVHSSHJJNOTL-LBPRGKRZSA-N	340.405	0.917	5	50	ECBA	
CN(C)c1noc(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	170599231	FOSBMMPNQYJNLW-UHFFFAOYSA-N	345.312	0.661	5	50	ECBA	
CC1(c2nnc(-c3cccnc3)o2)CN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1	952891735	HNYMSEINVMRENL-GHMZBOCLSA-N	329.316	0.897	5	50	ECBA	
NS(=O)(=O)c1ccc(NC(=O)Cn2cc([N+](=O)[O-])cn2)cc1	2763477	KUXLFZIUEYMCJW-UHFFFAOYSA-N	325.306	0.077	5	50	ECBA	
Cn1c(C(=O)NCCCn2nc3n(c2=O)CCCC3)ccc1[N+](=O)[O-]	339726860	DIFVGLYPQIJKRG-UHFFFAOYSA-N	348.363	0.448	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@]1(CO)CCOC1	952879749	RRQWQNNSCJWFNI-HNNXBMFYSA-N	339.348	0.673	5	50	ECBA	
O=C(NCC1(O)CCC1)c1ccc(N2C(=O)CCC2=O)c([N+](=O)[O-])c1	431854321	BPJRTOUKZYYPAH-UHFFFAOYSA-N	347.327	0.893	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	239296955	DMHZPIRIECTZBP-VZAMPYOESA-N	330.296	0.790	5	50	ECBA	
Cc1c(CCO)c(=O)[nH]n1S(=O)(=O)c1ccccc1[N+](=O)[O-]	1402176	RDAUQKXHXWTLKA-UHFFFAOYSA-N	327.318	0.165	5	50	ECBA	
O=C(Cn1ccc([N+](=O)[O-])n1)NC[C@@H](Cc1ccccc1)C(=O)O	238172670	HCCXELWXLLGXNG-GFCCVEGCSA-N	332.316	0.851	5	50	ECBA	
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCNCC2)cc1	237969799	CERWIYQNXDZJKQ-UHFFFAOYSA-N	328.394	0.168	5	50	ECBA	
Cn1cnnc1SCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	8854833	CYHGOVXWKAFDDU-UHFFFAOYSA-N	343.390	0.794	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2ncccn2)CC1	2574817	XETXFMSHLNWMDR-UHFFFAOYSA-N	349.372	0.896	5	50	ECBA	
CNS(=O)(=O)c1ccc(N[C@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1	225645891	UEXJQQMQSZOTPY-PRHODGIISA-N	342.377	0.439	5	50	ECBA	
O=c1c2cc3c(=O)n(C[C@@H]4CCCO4)ccc3nc2ccn1CCO	38829126	RJMDAWBOXAOSQI-LBPRGKRZSA-N	341.367	0.883	5	50	ECBA	
COCCn1c(=N)c(C(N)=S)cc2c(=O)n3ccccc3nc21	100681400	XTTXTQHMXRTYMZ-UHFFFAOYSA-N	329.385	0.409	5	50	ECBA	
CCCc1[nH]nc(C(=O)NC[C@@H](CO)[C@H]2CCOC2)c1[N+](=O)[O-]	280569222	VWGCGNZNBMKZJX-UWVGGRQHSA-N	326.353	0.645	5	50	ECBA	
C[C@H](O)[C@@H]1C(=O)N2[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)C[C@H]12	100327071	YBIDYTOJOXKBLO-WDGYITBISA-N	348.311	0.187	5	50	ECBA	in-vitro
CN(CCO)c1cc(N2CCOCC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	3880482	NMSKUSOXADXNEQ-UHFFFAOYSA-N	326.309	0.768	5	50	ECBA	
NC(=O)C1CCN([C@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1	19831614	PIPKHAGNNZMNQJ-ZDUSSCGKSA-N	346.343	0.424	5	50	ECBA	
O=C(NC[C@H](O)C1CC1)c1csc(N2CCC([N+](=O)[O-])CC2)n1	2325825098	DIODTSGDSPWPOD-LBPRGKRZSA-N	340.405	0.889	5	50	ECBA	
COCCNc1c([N+](=O)[O-])nn(-c2ccc3c(c2)OCCO3)[n+]1[O-]	16194403	YPGQPURRVBVHDJ-UHFFFAOYSA-N	337.292	0.243	5	50	ECBA	
C[C@H](O)[C@@H]1C(=O)N2[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)C[C@@H]12	100327079	YBIDYTOJOXKBLO-LDZXTUBUSA-N	348.311	0.187	5	50	ECBA	in-vitro
Cc1nn(CCc2nc3c4cnn(C)c4ncn3n2)c(C)c1[N+](=O)[O-]	2800121	GGKDWTZUHBVTBP-UHFFFAOYSA-N	341.335	0.975	5	50	ECBA	
COc1ccc(C(=O)NC(=S)N2CCOCC2)cc1[N+](=O)[O-]	450541	OGJYORNKQKPDOS-UHFFFAOYSA-N	325.346	0.950	5	50	ECBA	
Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@@H]2c1ccc([N+](=O)[O-])cc1	4742537	AMQPAZLLEZRDNF-SNVBAGLBSA-N	340.299	0.810	5	50	ECBA	
COC(=O)c1cc(C)nc(N2CCN[C@@H](c3cn[nH]c3)C2)c1[N+](=O)[O-]	952877532	QVEBETGWCFUYQT-GFCCVEGCSA-N	346.347	0.959	5	50	ECBA	
CN1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1	20168497	USNLADLUFBRDPY-UHFFFAOYSA-N	334.376	0.819	5	50	ECBA	
O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1	4801908	HHPBJRNLBMDPNX-VIFPVBQESA-N	343.386	0.386	5	50	ECBA	
O=[N+]([O-])c1cc(C(F)(F)F)cnc1N1CC(O)(c2nn[nH]n2)C1	1875340380	YOLYYJOAMBRQAE-UHFFFAOYSA-N	331.214	0.230	5	50	ECBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCOC[C@H]1c1nc[nH]n1	240412808	FNZFNVNJUQAFRN-LBPRGKRZSA-N	333.304	0.692	5	50	ECBA	
CCc1[nH]nc(C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)c1[N+](=O)[O-]	265376744	JNGHRINHJYLKCZ-JTQLQIEISA-N	347.335	0.149	5	50	ECBA	
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(CCCO)C2=O	4784011	MBVXHFNHFIWAAJ-AWEZNQCLSA-N	346.343	0.770	5	50	ECBA	
COc1ccc(-n2nnnc2Sc2nc([N+](=O)[O-])nn2C)cc1	2409656	BVUQKGWYBOYTEN-UHFFFAOYSA-N	334.321	0.859	5	50	ECBA	
COC(=O)C(C(=O)OC)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-]	12471723	COOGCONCEDRXES-UHFFFAOYSA-N	331.302	0.428	5	50	ECBA	in-vitro
Cc1cc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	242147492	WSGAWVTYPWGBSO-SECBINFHSA-N	334.375	0.369	5	50	ECBA	
CNC(=O)[C@@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCN(C)C[C@H]21	229809567	LLYRGLCZNALYTR-XJKSGUPXSA-N	348.359	0.088	5	50	ECBA	
O=[N+]([O-])c1cc(CNC[C@H](O)Cn2cccn2)c2c(c1)COCO2	2325869009	VQRRILLGCVQARK-AWEZNQCLSA-N	334.332	0.809	5	50	ECBA	
CNS(=O)(=O)c1ccc(N[C@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1	225645836	UEXJQQMQSZOTPY-QPUJVOFHSA-N	342.377	0.439	5	50	ECBA	
Cn1ncnc1CCCNS(=O)(=O)c1cccc(F)c1[N+](=O)[O-]	874433724	PTVBENPGDZYJKM-UHFFFAOYSA-N	343.340	0.774	5	50	ECBA	
CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2(C)CC[C@@H](O)[C@@H]12)C(C)C	252459999	ATTSKHOTAFAWSP-FPHDVWFLSA-N	328.429	0.471	5	50	ECBA	
Cc1c(C(=O)N[C@@H]2CCC(=O)NC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	269402604	CTWODIQRIMOMMM-SECBINFHSA-N	336.260	0.346	5	50	ECBA	
Cn1c(=O)c2cc3c(=O)n(-c4ccccc4)ccc3nc2n(C)c1=O	169681451	XDUKNSJMVKQFGF-UHFFFAOYSA-N	334.335	0.936	5	50	ECBA	
NC(=O)C1CCN([C@@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	100119156	FLVNYXGWNBSSGV-CYBMUJFWSA-N	346.343	0.424	5	50	ECBA	
O=[N+]([O-])c1ccc(S(=O)(=O)NCCCN2CCOCC2)cc1	19286416	UMAGPQFJLYCSOD-UHFFFAOYSA-N	329.378	0.595	5	50	ECBA	
Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1ccc(C(=O)O)cc1	1901472	FEWDUKSJGRPQCZ-UHFFFAOYSA-N	348.304	0.548	5	50	ECBA	
O=C(NCCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	19721082	FZCKWSJUOILXJQ-UHFFFAOYSA-N	338.320	0.955	5	50	ECBA	
CN1CC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1	952991684	IGJMFJUCNNWVFU-WDEREUQCSA-N	340.405	0.630	5	50	ECBA	
CCn1nc(C)c([N+](=O)[O-])c1N1CCC[C@H](CNS(N)(=O)=O)C1	192558549	ZNEBQRDVUWDRDE-SNVBAGLBSA-N	346.413	0.129	5	50	ECBA	
O=c1nc(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)[nH]c2[nH]ncc12	170598775	FEXKRVOWCHSSFK-UHFFFAOYSA-N	341.331	0.881	5	50	ECBA	
O=C1CC(C(=O)NCCNc2ncnc3ccc([N+](=O)[O-])cc23)C1	408522142	DVIGEKNJIJRSOC-UHFFFAOYSA-N	329.316	1.045	5	50	ECBA	
C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1	225836946	MSHNNNGRBKZDKG-DJNLSKAYSA-N	339.373	0.760	5	50	ECBA	
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1	247425978	SNCQIIGHRPKRRG-YNEHKIRRSA-N	339.373	0.263	5	50	ECBA	
CC(C)NS(=O)(=O)NCCNC(=O)c1ccc([N+](=O)[O-])cc1F	277259542	WOUWWKGRIMFKSF-UHFFFAOYSA-N	348.356	0.296	5	50	ECBA	
Cc1nn(CCC(=O)N2N=CC[C@@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	6527446	DNVUBIDIIGRTNQ-SNVBAGLBSA-N	335.242	0.959	5	50	ECBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3ncccn3)CC2)cc1	461369	IBJFCGXNTKDSCW-UHFFFAOYSA-N	349.372	0.896	5	50	ECBA	
Nc1cc2c(cc1[N+](=O)[O-])OCCOCCOCCOCCO2	3895826	PSFJQUGCUJJHIS-UHFFFAOYSA-N	328.321	0.998	5	50	ECBA	
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@@+]2(C)CC[C@@H](O)[C@@H]12)C(C)C	252460001	ATTSKHOTAFAWSP-ZVEIASASSA-N	328.429	0.471	5	50	ECBA	biogenic
CC[C@@H](C)[C@@H](O)CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	339225705	ZUDXJGPXBXOQKM-KCJUWKMLSA-N	345.377	0.379	5	50	ECBA	
Cc1cc(O)nc(N2CCC[C@@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)n1	952992595	PMKWUVVKPQQQIM-SECBINFHSA-N	346.351	0.852	5	50	ECBA	
Cc1nn(CC(=O)N2N=CC[C@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6526251	UALGIVRSOPCPDF-JTQLQIEISA-N	335.242	0.877	5	50	ECBA	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1	169617782	GYFLGFTWDXAQIG-FOCJUVANSA-N	330.296	0.709	5	50	ECBA	
CN(C)S(=O)(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	614544	PUYHLAABXOHESZ-UHFFFAOYSA-N	342.377	0.159	5	50	ECBA	
COc1nn(CCc2nc3c4cnn(C)c4ncn3n2)cc1[N+](=O)[O-]	2802407	VYEYTNGDIYSKDN-UHFFFAOYSA-N	343.307	0.367	5	50	ECBA	
COc1nn([C@H](C)c2nc3c4cnn(C)c4ncn3n2)cc1[N+](=O)[O-]	2803037	INWJJTVCNSLKIB-SSDOTTSWSA-N	343.307	0.734	5	50	ECBA	
C[C@H](OC(=O)[C@@H]1C[C@H]1[N+](=O)[O-])C(=O)N1CC(=O)Nc2ccccc21	248290176	KVQSIXMEUJICIZ-YGOYTEALSA-N	333.300	0.569	5	50	ECBA	
COC1(C)CN(C(=O)CNC(=O)NCc2ccc([N+](=O)[O-])cc2)C1	347725687	VERBUFOOZNAHQE-UHFFFAOYSA-N	336.348	0.641	5	50	ECBA	
N=c1nc(N2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2[nH][nH]cc1-2	341920288	QGGGYMSLNDTPCY-UHFFFAOYSA-N	340.347	0.952	5	50	ECBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NC(=S)NN1CCOCC1	435822	HIGZRPONJUYDLM-ZZXKWVIFSA-N	336.373	0.846	5	50	ECBA	
CN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	229900801	GVXPGEVVMIGYEA-LRDDRELGSA-N	344.327	0.814	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	222323012	LISZCJNACBYSRK-KNPMLCFXSA-N	330.296	0.790	5	50	ECBA	
O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(Cc2ccccc2)CC1	19797958	KRGQWJIUZPRZKP-UHFFFAOYSA-N	330.348	0.531	5	50	ECBA	
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(CCCO)C2=O	4784012	MBVXHFNHFIWAAJ-CQSZACIVSA-N	346.343	0.770	5	50	ECBA	
O=C(O)CCN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	4730833	MEGHHAHAKFAFMJ-UHFFFAOYSA-N	343.361	0.376	5	50	ECBA	
CC1(CS(=O)(=O)NCc2ccccc2[N+](=O)[O-])CS(=O)(=O)C1	1775991487	FHHZKAVUJMBYQQ-UHFFFAOYSA-N	348.402	0.449	5	50	ECBA	
NC(=O)C(F)(F)[C@@]1(O)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1	1775998184	AYNUEHCVUCZIEO-SNVBAGLBSA-N	336.682	0.705	5	50	ECBA	
O=c1[nH]cc(-n2c(=O)c3ccccc3c3ccccc3c2=O)c(=O)[nH]1	49510	LGUGNDLQUUMYIN-UHFFFAOYSA-N	333.303	0.881	5	50	ECBA	
CS(=O)(=O)[C@@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1	253395207	OKQPIRDWTYRHBB-CYBMUJFWSA-N	341.389	0.966	5	50	ECBA	
O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@@H](O)[C@H]3O)ccc2c2ccccc12	254795774	XYWYWFCGRDAPEG-ZDRJDWQYSA-N	344.319	0.764	5	50	ECBA	
COc1cc([N+](=O)[O-])c(C(N)=O)cc1OCCCN1CCOCC1	139184375	CZNVOBRARXZUEA-UHFFFAOYSA-N	339.348	0.803	5	50	ECBA	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)c([N+](=O)[O-])c1	245226633	GYFLGFTWDXAQIG-IATRGZMQSA-N	330.296	0.709	5	50	ECBA	
C[C@H](O)[C@@H]1C(=O)N2[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)C[C@H]12	100327075	YBIDYTOJOXKBLO-KNEYZDPSSA-N	348.311	0.187	5	50	ECBA	in-vitro
Cc1cc([N+](=O)[O-])nn1CCC(=O)N1N=CC[C@@]1(O)C(F)(F)F	6787400	OXRFUVGAGCJERD-SNVBAGLBSA-N	335.242	0.959	5	50	ECBA	
CNc1cc(N2CCN(S(=O)(=O)N(C)C)CC2)ccc1[N+](=O)[O-]	4741014	WXGIEEJDYYNQNE-UHFFFAOYSA-N	343.409	0.565	5	50	ECBA	
CCn1cc(S(=O)(=O)N[C@]23CCCNC[C@H]2C3)c([N+](=O)[O-])n1	2325827640	LZYXSWHPRWARKZ-SKDRFNHKSA-N	329.382	0.232	5	50	ECBA	
Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1	169617783	GYFLGFTWDXAQIG-DVZHBHJUSA-N	330.296	0.709	5	50	ECBA	
O=C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCN12	952995293	HMVFFQQPWKYGEC-IUODEOHRSA-N	335.360	0.989	5	50	ECBA	
O=c1oc2cc(O[C@@H]3OC[C@H](O)[C@H](O)[C@@H]3O)ccc2c2ccccc12	254795772	XYWYWFCGRDAPEG-MBGYTDRXSA-N	344.319	0.764	5	50	ECBA	
O=[N+]([O-])c1ccc(N2CCOCC2)cc1N1CCN(CCO)CC1	19757988	FBDIVNZRHVZBEM-UHFFFAOYSA-N	336.392	0.546	5	50	ECBA	
CN1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C1	952991681	IGJMFJUCNNWVFU-MNOVXSKESA-N	340.405	0.630	5	50	ECBA	
COCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	2814408	OBODUFPETPFAKN-UHFFFAOYSA-N	331.350	0.123	5	50	ECBA	
COC(=O)[C@H](CO)Nc1c([N+](=O)[O-])cc(C(=O)O)cc1[N+](=O)[O-]	6136095	UAEHXCBNOOILDR-LURJTMIESA-N	329.221	0.147	5	50	ECBA	
CC[C@@H](C)[C@H](O)CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	339225707	ZUDXJGPXBXOQKM-LDYMZIIASA-N	345.377	0.379	5	50	ECBA	
O=C(O)Cn1nnnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1	2250902	MSAOEBBRWVUSTE-UHFFFAOYSA-N	338.305	0.397	5	50	ECBA	
N=C(N)NCCC[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	4045829	GZJXZYUXRVBOAH-VIFPVBQESA-N	340.296	0.631	5	50	ECBA	in-vitro
O=C1N[C@H]2CN(c3c([N+](=O)[O-])ccc(Cl)c3Cl)C[C@H]2NC1=O	2325786120	CBGKKRXQKQVFTA-KNVOCYPGSA-N	345.142	0.705	5	50	ECBA	
COC(=O)c1nn(Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1CO	1775994815	HKCVLRGGZFPRFZ-UHFFFAOYSA-N	349.299	0.985	5	50	ECBA	
O=[N+]([O-])c1c(-c2cnn([N+](=O)[O-])c2)n[nH]c1-c1cnn([N+](=O)[O-])c1	33355141	UBBYYFZSKCYOBC-UHFFFAOYSA-N	335.196	0.125	5	50	ECBA	
Cc1cc([N+](=O)[O-])nn1CCc1nc2c3cnn(C)c3ncn2n1	2802173	CXAWPWUXBVXDDS-UHFFFAOYSA-N	327.308	0.667	5	50	ECBA	
Cn1ccnc1N1CCC(Nc2ncc([N+](=O)[O-])cc2C(N)=O)CC1	253432899	PNFJMFFHAUWWRV-UHFFFAOYSA-N	345.363	0.903	5	50	ECBA	
CCOC(=O)c1ccnc(N[C@]2(C(N)=O)CCCNC2)c1[N+](=O)[O-]	1775991081	OUVXOXYKCFSYGL-CQSZACIVSA-N	337.336	0.186	5	50	ECBA	
C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3cnn(C)c3ncn2n1	2802263	MXYRTNYOPWATSS-QMMMGPOBSA-N	327.308	0.919	5	50	ECBA	
C[C@H](NC(=O)Cn1cc([N+](=O)[O-])cn1)C(=O)NCCc1ccccc1	408520441	FICLHFFUNQHHAP-LBPRGKRZSA-N	345.359	0.655	5	50	ECBA	
Cc1nnc(NC(=O)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)s1	2966650	DOEMRYLJVLSPFO-UHFFFAOYSA-N	347.312	0.989	5	50	ECBA	
C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1ncccc1[N+](=O)[O-]	365146168	LDIRMJDPMOWCCD-KGLIPLIRSA-N	335.408	0.831	5	50	ECBA	
N=c1c(C(N)=O)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	100627330	QSOWJENQBBASHJ-JTQLQIEISA-N	339.355	0.407	5	50	ECBA	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@@](O)(CN(C)C)C1	1775985228	YICLKESDNWDBLE-CQSZACIVSA-N	343.405	0.590	5	50	ECBA	
CCCc1[nH]nc(C(=O)NC[C@H](CO)[C@@H]2CCOC2)c1[N+](=O)[O-]	280569219	VWGCGNZNBMKZJX-NXEZZACHSA-N	326.353	0.645	5	50	ECBA	
Cn1c(=O)c2c(-c3cccc([N+](=O)[O-])c3)n(CCO)cc2n(C)c1=O	4721741	SKXICKUXSSSJNM-UHFFFAOYSA-N	344.327	0.606	5	50	ECBA	
O=C1NC[C@@H](O)CC12CN(c1ccc3ncccc3c1[N+](=O)[O-])C2	1120791630	ZDJYXZXVOYNMTN-JTQLQIEISA-N	328.328	0.830	5	50	ECBA	
CN=[S@@](C)(=O)CCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	1775989656	DWQODQIYOOWVCI-FQEVSTJZSA-N	337.379	0.306	5	50	ECBA	
Cc1c(CC(=O)Nc2cn(C)c(=O)n(C)c2=O)cccc1[N+](=O)[O-]	156418188	RXSPNUHQVOYQCC-UHFFFAOYSA-N	332.316	0.482	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCO)C[C@@H](C)O	289846926	PKTUIVFZYXLPEK-LLVKDONJSA-N	341.364	0.607	5	50	ECBA	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)c1=N	100318754	UWJYPAGGEXMKSJ-UHFFFAOYSA-N	342.355	0.952	5	50	ECBA	
O=[N+]([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2nc[nH]n2)ccc1O	1775986701	MWECMUWFDZEWHB-VIFPVBQESA-N	339.333	0.944	5	50	ECBA	
CCc1cc(NC[C@H](O)[C@@H](O)[C@H](O)CO)c([N+](=O)[O-])cc1Cl	4760374	BGVYXPWCTXZJNU-YNEHKIRRSA-N	334.756	0.298	5	50	ECBA	
CCc1cc(NC[C@H](O)[C@@H](O)[C@@H](O)CO)c([N+](=O)[O-])cc1Cl	25664699	BGVYXPWCTXZJNU-RWMBFGLXSA-N	334.756	0.298	5	50	ECBA	
O=C(Cn1ccc([N+](=O)[O-])n1)N1N=C(C(F)F)C[C@@]1(O)C(F)F	1012144	BPXHKXKJVZETDU-SNVBAGLBSA-N	339.205	0.598	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12	445332	LISZCJNACBYSRK-VZAMPYOESA-N	330.296	0.790	5	50	ECBA	
CCc1[nH]nc(-c2nc(CN3C(=O)NC(C)(C)C3=O)no2)c1[N+](=O)[O-]	351202801	GRRVRRRQYLGUNB-UHFFFAOYSA-N	349.307	0.761	5	50	ECBA	
CNC(=O)Cn1cc(NS(=O)(=O)c2ccsc2[N+](=O)[O-])cn1	225698663	ODMCEXCEJDNNQJ-UHFFFAOYSA-N	345.362	0.400	5	50	ECBA	
CN=[S@](C)(=O)CCNS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	1775989657	DWQODQIYOOWVCI-HXUWFJFHSA-N	337.379	0.306	5	50	ECBA	
C[C@]1(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)NC(=O)NC1=O	253432142	IYTXWGVSTYXLMO-GFCCVEGCSA-N	325.350	0.866	5	50	ECBA	
NCCCC[C@@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O	725374059	GPAXHQDEUDEPGT-SECBINFHSA-N	331.350	0.455	5	50	ECBA	
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@H]1CCCO1	117398	PJRBMCUQYXFLPD-SNVBAGLBSA-N	347.327	0.876	5	50	ECBA	
Cc1nn(C)c(C(=O)Nn2cc([N+](=O)[O-])cn2)c1Br	6526081	GRGQZHWBVIAYSR-UHFFFAOYSA-N	329.114	0.980	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN([C@@H]2CCNC2)CC1	261810761	GMLHATSHCRJZPD-GFCCVEGCSA-N	340.405	0.263	5	50	ECBA	
Cc1ccc(S(=O)(=O)NCCNC(=O)N(C)C)cc1[N+](=O)[O-]	271711162	JCCGJLVSQGDNQR-UHFFFAOYSA-N	330.366	0.453	5	50	ECBA	
O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)N1CCOCC1	54531720	MIPXPHKRRBBABL-UHFFFAOYSA-N	334.376	0.576	5	50	ECBA	
O=C(COc1ccc([N+](=O)[O-])cc1)N1CCOC[C@@H]1c1nc[nH]n1	240412807	FNZFNVNJUQAFRN-GFCCVEGCSA-N	333.304	0.692	5	50	ECBA	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)cc1[N+](=O)[O-]	239403241	RRAIQXFZZWHLIT-IATRGZMQSA-N	330.296	0.709	5	50	ECBA	
CN(C)c1n[nH]c(CNS(=O)(=O)c2cccc(F)c2[N+](=O)[O-])n1	874434896	HBTQXBHTQZYADB-UHFFFAOYSA-N	344.328	0.397	5	50	ECBA	
CS(=O)(=O)N1CCN(C(=S)Nc2ccc([N+](=O)[O-])cc2)CC1	4999117	DUHFPHDCPUJUNZ-UHFFFAOYSA-N	344.418	0.869	5	50	ECBA	
C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1	225836900	MSHNNNGRBKZDKG-VCGICTTQSA-N	339.373	0.760	5	50	ECBA	
COC(=O)c1ccc(NCCOCCS(C)(=O)=O)c([N+](=O)[O-])c1	225422755	QZXSMDPQZXIKTL-UHFFFAOYSA-N	346.361	0.855	5	50	ECBA	
CCOC(=O)C1=NN[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	100949821	OWQOAHQMXWIAFZ-QWRGUYRKSA-N	346.299	0.284	5	50	ECBA	
CN1CC[C@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1	358062278	HGNSVZQYOVOBMW-INIZCTEOSA-N	330.344	0.939	5	50	ECBA	
CCN(C)[C@@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	170606549	HZHQPAHZMXVEDU-SNVBAGLBSA-N	328.394	0.773	5	50	ECBA	
CC1=NN(C(=O)Cn2nc([N+](=O)[O-])cc2C)[C@](O)(C(F)(F)F)C1	1018979	LFALIQDFOXKNGG-SNVBAGLBSA-N	335.242	0.959	5	50	ECBA	
COC(=O)Cc1ccccc1CNC(=O)Cn1cc([N+](=O)[O-])cn1	408516203	YCBFAUGKUICVCD-UHFFFAOYSA-N	332.316	0.823	5	50	ECBA	
CCn1cc(S(=O)(=O)N[C@]23CCCNC[C@@H]2C3)c([N+](=O)[O-])n1	2325827638	LZYXSWHPRWARKZ-CABZTGNLSA-N	329.382	0.232	5	50	ECBA	
NS(=O)(=O)c1cc(N2CCN3CCCC[C@H]3C2)cc([N+](=O)[O-])c1	252511377	GCVVRMFLNUTDGY-NSHDSACASA-N	340.405	0.917	5	50	ECBA	
COc1ccc(/C=C/c2c([N+](=O)[O-])c(=O)n(C)c(=O)n2C)cc1O	13124927	KEAZXVQBFLFTSF-GQCTYLIASA-N	333.300	0.877	5	50	ECBA	
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(CCO)C2=O	4776440	TZSJCVUDADTLNC-ZDUSSCGKSA-N	332.316	0.380	5	50	ECBA	
CC1=NN(C(=O)Cn2nc([N+](=O)[O-])cc2C)[C@@](O)(C(F)(F)F)C1	1018978	LFALIQDFOXKNGG-JTQLQIEISA-N	335.242	0.959	5	50	ECBA	
O=C(NC[C@H]1CNC[C@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	262025589	AWMAMRNTBNPDOC-QMTHXVAHSA-N	331.332	0.091	5	50	ECBA	
COC(=O)C(C(=O)OC)n1c(=O)sc2cc([N+](=O)[O-])ccc21	3106422	KIQWYYHFRNDMNR-UHFFFAOYSA-N	326.286	0.858	5	50	ECBA	
O=C(NC(=S)N[C@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1	4755674	PRCKJEVXOWIEPF-VIFPVBQESA-N	343.386	0.386	5	50	ECBA	
COc1cc(C(=O)N[C@@H]2CCC(=O)NC2=O)c([N+](=O)[O-])cc1OC	344244243	JOCBZTCURGMSIF-MRVPVSSYSA-N	337.288	0.147	5	50	ECBA	
Cn1cc([N+](=O)[O-])c(C(=O)N2CCN(C(=O)c3ccco3)CC2)n1	2767510	KRPIHVHMRBINFU-UHFFFAOYSA-N	333.304	0.520	5	50	ECBA	
O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@H](O)C[C@H]1CO	366638151	DAMGGXGEBNLVKD-WDEREUQCSA-N	344.751	0.971	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	222323943	DMHZPIRIECTZBP-KNPMLCFXSA-N	330.296	0.790	5	50	ECBA	
Cn1ncc2c1ncn1nc(C(C)(C)n3cc([N+](=O)[O-])cn3)nc21	2802757	DGTLWGUYFQXYOA-UHFFFAOYSA-N	327.308	0.899	5	50	ECBA	
Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@H]2c1ccc([N+](=O)[O-])cc1	4742544	AMQPAZLLEZRDNF-JTQLQIEISA-N	340.299	0.810	5	50	ECBA	
Cc1nn(Cc2nc3c4cnn(C)c4ncn3n2)c(C)c1[N+](=O)[O-]	2800466	PIRCXBLEQBNMSO-UHFFFAOYSA-N	327.308	0.781	5	50	ECBA	
NC(=O)C1CCN([C@H]2CC(=O)N(c3cccc([N+](=O)[O-])c3)C2=O)CC1	18180083	FLVNYXGWNBSSGV-ZDUSSCGKSA-N	346.343	0.424	5	50	ECBA	
O=C([C@@H]1C[C@H]1[N+](=O)[O-])N1CCc2nnc(N3CCCOCC3)cc2C1	952891176	XJSJXDHYWPPRLH-TZMCWYRMSA-N	347.375	0.253	5	50	ECBA	
CCc1cc(NC[C@H](O)[C@H](O)[C@H](O)CO)c([N+](=O)[O-])cc1Cl	4760371	BGVYXPWCTXZJNU-XQQFMLRXSA-N	334.756	0.298	5	50	ECBA	
CCN(C)[C@H]1CCN(c2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])C1	170606550	HZHQPAHZMXVEDU-JTQLQIEISA-N	328.394	0.773	5	50	ECBA	
Cc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	4078759	VREZRQGFADTZBR-VIFPVBQESA-N	334.375	0.369	5	50	ECBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@H]3CCNC3)CC2)cc1	261970023	YVBYULHIRBVKGU-ZDUSSCGKSA-N	340.405	0.263	5	50	ECBA	
Cc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	4078758	VREZRQGFADTZBR-SECBINFHSA-N	334.375	0.369	5	50	ECBA	
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCCO)c1=N	100895257	SZSZEWBXAFEXQJ-UHFFFAOYSA-N	341.371	0.179	5	50	ECBA	
C[C@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ncccc1[N+](=O)[O-]	365146170	LDIRMJDPMOWCCD-UONOGXRCSA-N	335.408	0.831	5	50	ECBA	
COc1cccc(NC(=O)OC[C@H]2C[N+]34CCO[B-]3(OCC4)O2)c1	195831942	POHDATQFVSMOFW-MXWWQKGMSA-N	336.153	0.955	5	50	ECBA	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-]	222247293	RRAIQXFZZWHLIT-FOCJUVANSA-N	330.296	0.709	5	50	ECBA	
O=C(CCNc1ccccc1[N+](=O)[O-])NCCn1ccc(O)nc1=O	952994273	NZPLGRFCZIQIOO-UHFFFAOYSA-N	347.331	0.476	5	50	ECBA	
CS[C@@H](CO)[C@H](C)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	228276138	MMYBALAEKGWLQO-CPCISQLKSA-N	336.391	0.691	5	50	ECBA	
Cc1nn(C)c(N2CC[C@H](S(=O)(=O)N3CCCC3)C2)c1[N+](=O)[O-]	133699477	RUMRCCXPAFVGQO-NSHDSACASA-N	343.409	0.641	5	50	ECBA	
Cc1cc([N+](=O)[O-])nn1CCC(=O)N1N=CC[C@]1(O)C(F)(F)F	6787406	OXRFUVGAGCJERD-JTQLQIEISA-N	335.242	0.959	5	50	ECBA	
NS(=O)(=O)CCCCNC(=O)/C=C/c1ccccc1[N+](=O)[O-]	294117570	JXVHAVDUGBLMLB-BQYQJAHWSA-N	327.362	0.793	5	50	ECBA	
C[C@@H]1CN(C[C@H]2CN(C)CCO2)CCN1c1ncccc1[N+](=O)[O-]	365146171	LDIRMJDPMOWCCD-ZIAGYGMSSA-N	335.408	0.831	5	50	ECBA	
COc1ccc(NC(=O)OC[C@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1	197990226	VASAKIGFUSBYNT-MXWWQKGMSA-N	336.153	0.955	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@@H]1CO	274060529	ABKVLCRCMTXFQJ-VXGBXAGGSA-N	339.348	0.360	5	50	ECBA	
CCS(=O)(=O)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	252428	LOXZKJXUVAHGHM-UHFFFAOYSA-N	327.362	0.702	5	50	ECBA	
CNS(=O)(=O)c1c(N2CCO[C@@H](COC)C2)cccc1[N+](=O)[O-]	408518686	UTBCQLOBRCFBLA-SNVBAGLBSA-N	345.377	0.355	5	50	ECBA	
NC1(C(=O)O)CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	725373808	CQOQBTRCLAQSFI-UHFFFAOYSA-N	329.334	0.161	5	50	ECBA	
Cc1c([N+](=O)[O-])cc(C(=O)N[C@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-]	271007964	ILNWOMNSWFZGDV-QMMMGPOBSA-N	336.260	0.346	5	50	ECBA	
O=c1ccc(O)nn1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19818412	JJYVRDHCJHBYMI-UHFFFAOYSA-N	331.332	0.637	5	50	ECBA	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2CCOC[C@H]2C1	328587321	AMBUSDGTLJQOCK-CYBMUJFWSA-N	341.389	0.608	5	50	ECBA	
Cn1nc(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)ccc1=O	188565099	JGMUYMKLQVIUTN-UHFFFAOYSA-N	330.300	0.592	5	50	ECBA	
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CC[C@](O)(CN(C)C)C1	1775985227	YICLKESDNWDBLE-AWEZNQCLSA-N	343.405	0.590	5	50	ECBA	
O=C(NC(=S)NCCN1CCOCC1)c1cccc([N+](=O)[O-])c1	19884665	HWOQUZZIKJUFRD-UHFFFAOYSA-N	338.389	0.531	5	50	ECBA	
O=c1c2cc3c(=O)n(C[C@H]4CCCO4)ccc3nc2ccn1CCO	38829128	RJMDAWBOXAOSQI-GFCCVEGCSA-N	341.367	0.883	5	50	ECBA	
Cc1cc(=O)oc2cc(Oc3nc([N+](=O)[O-])nn3CC(N)=O)ccc12	2875383	BRJWSNNXCIBREY-UHFFFAOYSA-N	345.271	0.879	5	50	ECBA	
CCOC(=O)CN1C(=O)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O	4042324	CUVMKISDDGZCQC-UHFFFAOYSA-N	335.272	0.449	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)C)S(C)(=O)=O	582639	QCSFXENKNSSVJG-UHFFFAOYSA-N	331.350	0.458	5	50	ECBA	
CS(=O)(=O)N(CC(=O)N1CCOCC1)c1cccc([N+](=O)[O-])c1	460418	WSMWZIROXCFKFK-UHFFFAOYSA-N	343.361	0.220	5	50	ECBA	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)N2CCOCC2)CC1	618511	VKHHQIHFJWSNSK-UHFFFAOYSA-N	348.359	0.805	5	50	ECBA	
Cn1c(=O)[nH]c(=O)c2c1ncn2CC(=O)c1ccc([N+](=O)[O-])cc1	1511372	GTLDNKUYXYNNTP-UHFFFAOYSA-N	329.272	0.214	5	50	ECBA	
CS(=O)(=O)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	5061040	ZVGHAGITTSYXNQ-UHFFFAOYSA-N	328.350	0.704	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	4818455	MWAWEQPSVBBHFO-MPTQWLOMSA-N	330.296	0.790	5	50	ECBA	
CCn1cc(S(=O)(=O)N2C[C@H](C(=O)O)CC[C@@H]2C)c([N+](=O)[O-])n1	422555085	OGGWEXGTDZNZOT-DTWKUNHWSA-N	346.365	0.685	5	50	ECBA	
Cc1cc(O)nc(N2CC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)n1	952883087	WPUIEIWZWLDGOH-QMMMGPOBSA-N	332.324	0.462	5	50	ECBA	
Cc1nn(CCC(=O)N2N=CC[C@]2(O)C(F)(F)F)cc1[N+](=O)[O-]	6527450	DNVUBIDIIGRTNQ-JTQLQIEISA-N	335.242	0.959	5	50	ECBA	
C[C@@H](O)[C@H]1C(=O)N2[C@@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)C[C@H]12	16696723	YBIDYTOJOXKBLO-KLPZLMTLSA-N	348.311	0.187	5	50	ECBA	in-vitro
CO[C@@H](C)[C@](O)(C(=O)OCC1=CC[N@@+]2(C)CC[C@@H](O)[C@@H]12)C(C)C	252460000	ATTSKHOTAFAWSP-OZNHZTKRSA-N	328.429	0.471	5	50	ECBA	
O=C(NCCc1ccccn1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	12360605	DZYHIAKFGRAJLJ-UHFFFAOYSA-N	343.303	0.590	5	50	ECBA	
CCOC(=O)N1CCN(C(=O)Cn2nc([N+](=O)[O-])cc2C)CC1	2785495	AZZBTPVHCUNKLY-UHFFFAOYSA-N	325.325	0.400	5	50	ECBA	
COc1ccc(NC(=O)OC[C@@H]2C[N+]34CCO[B-]3(OCC4)O2)cc1	197990232	VASAKIGFUSBYNT-NXVRBGIVSA-N	336.153	0.955	5	50	ECBA	
Cc1c(C(=O)N[C@H]2CCC(=O)NC2=O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	269402605	CTWODIQRIMOMMM-VIFPVBQESA-N	336.260	0.346	5	50	ECBA	
NC(=O)C(F)(F)[C@]1(O)CCN(c2ncc(Cl)cc2[N+](=O)[O-])C1	1775998183	AYNUEHCVUCZIEO-JTQLQIEISA-N	336.682	0.705	5	50	ECBA	
CNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCOC)c1=N	100678150	AQFLXDQCKNVNHG-UHFFFAOYSA-N	341.371	0.443	5	50	ECBA	
O=C(Cn1ccc([N+](=O)[O-])n1)N1Cc2cnnn2Cc2ccccc21	189302391	ZUUBLRQJJKABFC-UHFFFAOYSA-N	339.315	0.978	5	50	ECBA	
CCn1cc(NC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C(=O)NC)n1	2802348	UATXZOOEOOPOPS-UHFFFAOYSA-N	349.351	0.705	5	50	ECBA	
Cc1cc(CN=c2nc(N)c([N+](=O)[O-])c[nH]2)nc(N2CCCC2)n1	488750520	NVBZHVHQGDTCMS-UHFFFAOYSA-N	330.352	0.700	5	50	ECBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CNC[C@@H]3C2)c2ncccc12	193323171	WKNJYUNNKMAOOK-PHIMTYICSA-N	348.384	0.983	5	50	ECBA	
CC[C@H](C)[C@H](O)CNC(=O)c1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	339225704	ZUDXJGPXBXOQKM-GZMMTYOYSA-N	345.377	0.379	5	50	ECBA	
O=C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCN12	952995295	HMVFFQQPWKYGEC-WFASDCNBSA-N	335.360	0.989	5	50	ECBA	
C[C@H](OC(=O)[C@H]1C[C@H]1[N+](=O)[O-])C(=O)N1CC(=O)Nc2ccccc21	248290175	KVQSIXMEUJICIZ-HOTUBEGUSA-N	333.300	0.569	5	50	ECBA	
COc1ccc(C(=O)NC[C@@H](O)CN2CCOCC2)cc1[N+](=O)[O-]	20123806	DSZTWLYHUIMAAF-GFCCVEGCSA-N	339.348	0.026	5	50	ECBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O	226628470	GAVVTURRVRJOGN-DVZHBHJUSA-N	330.296	0.709	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12	5050801	DMHZPIRIECTZBP-MPTQWLOMSA-N	330.296	0.790	5	50	ECBA	
O=C(Cn1cc([N+](=O)[O-])cn1)n1cc(I)cn1	1067668	OMVPAMCZBRAVOA-UHFFFAOYSA-N	347.072	0.933	5	50	ECBA	
CN1CC[C@@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@H]2C1	952991666	IGJMFJUCNNWVFU-GHMZBOCLSA-N	340.405	0.630	5	50	ECBA	
C=CC(=O)N1CCCC[C@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1	1875371362	YBXSGBFTQYLGJF-LBPRGKRZSA-N	335.364	0.865	5	50	ECBA	
NC(=O)COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1	5042082	ONQHBEDYQNLODX-ZZXKWVIFSA-N	332.272	0.418	5	50	ECBA	
NC(=O)C1(NC(=O)Cn2cc([N+](=O)[O-])cn2)C2CC3CC(C2)CC1C3	408519989	GRNDUNPDNOBGKU-UHFFFAOYSA-N	347.375	0.588	5	50	ECBA	
CCS(=O)(=O)NCCNc1ncnc2ccc([N+](=O)[O-])cc12	390131660	DFGWYOSJDBXZTI-UHFFFAOYSA-N	325.350	0.889	5	50	ECBA	
CS(=O)(=O)N(CC(=O)N1CCCC1)c1cccc([N+](=O)[O-])c1	460365	AIOIZZPTSDUTPT-UHFFFAOYSA-N	327.362	0.983	5	50	ECBA	
Nc1cc(S(=O)(=O)O)c2cc([N+](=O)[O-])cc(S(=O)(=O)O)c2c1	2243084	PEFKYEIJIGWGBJ-UHFFFAOYSA-N	348.314	0.824	5	50	ECBA	
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c(=O)n(C)c1=O	158229189	MTAXDVSTZGNFJB-UHFFFAOYSA-N	338.707	0.898	5	50	ECBA	
CS(=O)(=O)C1(CNc2ccc3ncc([N+](=O)[O-])n3n2)CCC1	359938354	YPCJEPZGUVUEQQ-UHFFFAOYSA-N	325.350	1.017	5	50	ECBA	
Cc1cc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)ccc1[N+](=O)[O-]	242147493	WSGAWVTYPWGBSO-VIFPVBQESA-N	334.375	0.369	5	50	ECBA	
Cn1cc(/C=C(/C(=O)NC[C@H]2CCCO2)n2cc([N+](=O)[O-])cn2)cn1	6402200	JERZMRBWUJQCGF-QVXXFUFASA-N	346.347	0.818	5	50	ECBA	
COc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)c([N+](=O)[O-])c1	101198100	PMUABOSFLCFYPJ-JXFSHQFZSA-N	346.295	0.409	5	50	ECBA	
COCCCNS(=O)(=O)c1ccc(NCCOC)c([N+](=O)[O-])c1	1875298941	STXWETRDVRXNPY-UHFFFAOYSA-N	347.393	0.968	5	50	ECBA	
Cc1ccc(S(=O)(=O)N2CCN(S(C)(=O)=O)C2)cc1[N+](=O)[O-]	23279809	MEVVBRPTPJYBRU-UHFFFAOYSA-N	349.390	0.127	5	50	ECBA	
O=C1NC[C@H](O)CC12CN(c1ccc3ncccc3c1[N+](=O)[O-])C2	1120791632	ZDJYXZXVOYNMTN-SNVBAGLBSA-N	328.328	0.830	5	50	ECBA	
COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)c([N+](=O)[O-])c1	101198093	PMUABOSFLCFYPJ-FOCJUVANSA-N	346.295	0.409	5	50	ECBA	
O=C1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])[C@@H]2CCCN12	952995292	HMVFFQQPWKYGEC-DOMZBBRYSA-N	335.360	0.989	5	50	ECBA	
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCN2CCOC[C@@H]2C1	328587322	AMBUSDGTLJQOCK-ZDUSSCGKSA-N	341.389	0.608	5	50	ECBA	
CCCc1[nH]nc(C(=O)NC[C@@H](CO)[C@@H]2CCOC2)c1[N+](=O)[O-]	280569229	VWGCGNZNBMKZJX-ZJUUUORDSA-N	326.353	0.645	5	50	ECBA	
C[C@@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[S@](=O)C1	225836917	MSHNNNGRBKZDKG-WYVULQQZSA-N	339.373	0.760	5	50	ECBA	
Cc1nc(NCC2CCN(CC(=O)N(C)C)CC2)ccc1[N+](=O)[O-]	408518759	YDTOAFUBGRYOGK-UHFFFAOYSA-N	335.408	1.510	5	50	ECBA	
Cc1c([N+](=O)[O-])cc(C(=O)N[C@@H]2CCC(=O)NC2=O)cc1[N+](=O)[O-]	271007963	ILNWOMNSWFZGDV-MRVPVSSYSA-N	336.260	0.346	5	50	ECBA	
CNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCOC)c1=N	100627888	HPFZUQKPBIVBTL-UHFFFAOYSA-N	327.344	0.135	5	50	ECBA	
O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1cccc([N+](=O)[O-])c1	4755673	PRCKJEVXOWIEPF-SECBINFHSA-N	343.386	0.386	5	50	ECBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@](CO)(O3)[C@@H]2C1=O	226628464	GAVVTURRVRJOGN-FOCJUVANSA-N	330.296	0.709	5	50	ECBA	
CC(C)(C(=O)NC[C@H]1CN2CCN1CC2)c1ccc([N+](=O)[O-])cc1	269544934	ZNSBFMOIYQBDTH-HNNXBMFYSA-N	332.404	0.988	5	50	ECBA	
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2C=C[C@@]3(CO)O2)c([N+](=O)[O-])c1	101198097	PMUABOSFLCFYPJ-IATRGZMQSA-N	346.295	0.409	5	50	ECBA	
O=C(CSc1ccccc1[N+](=O)[O-])N[C@@H]1CCS(=O)(=O)C1	4819604	NFHUCEPKMFACGS-SECBINFHSA-N	330.387	0.990	5	50	ECBA	
Cn1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc(=O)n(C)c1=O	168731	BEWTYQVIIJQEHU-UHFFFAOYSA-N	338.707	0.898	5	50	ECBA	
Cn1c(=O)c2c(ncn2Cc2ccc([N+](=O)[O-])c(F)c2)n(C)c1=O	170605508	YAUFKUZSQMSXFB-UHFFFAOYSA-N	333.279	0.529	5	50	ECBA	
O=C(NCc1ccccn1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	12360609	CUGDZYRUVOOOJS-UHFFFAOYSA-N	329.276	0.548	5	50	ECBA	
O=C1CC[C@H](NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)C(=O)N1	269611408	RVNFSJCYXHXNOM-NSHDSACASA-N	346.343	0.730	5	50	ECBA	
COc1cc(CN2CCN(CCO)CC2)c([N+](=O)[O-])cc1OC	95788056	QKCUXLMHWUHPOX-UHFFFAOYSA-N	325.365	0.722	5	50	ECBA	
O=C(Cn1cc([N+](=O)[O-])cn1)NCC1CCN(CC(F)F)CC1	408517795	UKMSFFNHFJQFNT-UHFFFAOYSA-N	331.323	0.885	5	50	ECBA	
Cn1cc(N2CCN(c3cccc(C(N)=O)c3[N+](=O)[O-])CC2=O)cn1	225541658	QXXJAFDDINDMIQ-UHFFFAOYSA-N	344.331	0.280	5	50	ECBA	
COc1nn(Cc2nc3c4cnn(C)c4ncn3n2)cc1[N+](=O)[O-]	2802326	BOYHSIOGABRLLY-UHFFFAOYSA-N	329.280	0.173	5	50	ECBA	
COC(=O)c1cc([N+](=O)[O-])c(=O)n(Cc2cc(O)nc(C3CC3)n2)c1	412990915	IWVQIUBTYVYXBT-UHFFFAOYSA-N	346.299	0.964	5	50	ECBA	
COC[C@](C)(CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	928995851	JWAPVJALWKFWNC-HNNXBMFYSA-N	341.364	0.919	5	50	ECBA	
CCOC(=O)c1ccnc(N[C@@]2(C(N)=O)CCCNC2)c1[N+](=O)[O-]	1775991080	OUVXOXYKCFSYGL-AWEZNQCLSA-N	337.336	0.186	5	50	ECBA	
CCOC(=O)c1cn(C)cc1NC(=O)Cn1cc([N+](=O)[O-])ccc1=O	1352885593	BFZZXAWDLPLOEN-UHFFFAOYSA-N	348.315	0.910	5	50	ECBA	
COC(=O)[C@H]1C[C@H]1C(=O)NC[C@@H](O)COc1ccc([N+](=O)[O-])cc1	253397038	DMYAJTUAGPVIPV-RTXFEEFZSA-N	338.316	0.260	5	50	ECBA	
Nc1nonc1OCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	55441205	QQIONKJGSZDMJO-UHFFFAOYSA-N	334.336	0.761	5	50	ECBA	
Nn1cnn2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc12	22130587	QQARNSFEFJVVTH-UHFFFAOYSA-N	334.321	0.279	5	50	ECBA	
Cc1ccc(S(=O)(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-]	4084697	OPEUGMORTPGRJD-UHFFFAOYSA-N	327.362	0.789	5	50	ECBA	
CCOC(=O)C1=NN[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]12	100949820	OWQOAHQMXWIAFZ-WDEREUQCSA-N	346.299	0.284	5	50	ECBA	
O=C(c1n[nH]c2ccc([N+](=O)[O-])cc12)N(C1CC1)[C@@H]1COC[C@H]1O	1775998402	BVPBWYOZQRGCQI-CHWSQXEVSA-N	332.316	0.835	5	50	ECBA	
CS(=O)(=O)[C@H]1CCN(C(=O)NCCc2cccc([N+](=O)[O-])c2)C1	253395216	OKQPIRDWTYRHBB-ZDUSSCGKSA-N	341.389	0.966	5	50	ECBA	
NC(=O)c1nn(CC(=O)Nc2ccc3c(c2)OCO3)cc1[N+](=O)[O-]	12375166	BNFKMWRFJZZESN-UHFFFAOYSA-N	333.260	0.258	5	50	ECBA	
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCc2cccnc2)n1	12446658	KIEXDQDBMAZAEE-UHFFFAOYSA-N	343.303	0.856	5	50	ECBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@@](O)(CN(C)C)C1	1775985208	HCIZAZVXFHPYHO-CQSZACIVSA-N	343.405	0.590	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@@H](O)C[C@H]1CO	274060524	ABKVLCRCMTXFQJ-RYUDHWBXSA-N	339.348	0.360	5	50	ECBA	
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2(C)CC[C@@H](O)[C@@H]12)C(C)C	252459998	ATTSKHOTAFAWSP-FIFHEGHSSA-N	328.429	0.471	5	50	ECBA	biogenic,in-vitro
COC(=O)CN1C(=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[S@]1=O	245234304	AAVNARWROLCHOP-JOCHJYFZSA-N	329.246	0.154	5	50	ECBA	
O=[N+]([O-])c1cc(CNC[C@@H](O)Cn2cccn2)c2c(c1)COCO2	2325869010	VQRRILLGCVQARK-CQSZACIVSA-N	334.332	0.809	5	50	ECBA	
Cn1c(=O)c2c(nc([N+](=O)[O-])n2Cc2ccc(F)cc2)n(C)c1=O	193583	QCYISMVVYIZZBD-UHFFFAOYSA-N	333.279	0.529	5	50	ECBA	
O=C(CCOc1ccc(Cl)cc1[N+](=O)[O-])N1C[C@@H](O)C[C@@H](O)C1	610668950	REDMIQZOZGAKOV-PHIMTYICSA-N	344.751	0.971	5	50	ECBA	
O=[N+]([O-])c1c(NC[C@@H](O)CN2CCOCC2)nc2sccn12	266435701	LQNATCCAHUTSQS-SECBINFHSA-N	327.366	0.409	5	50	ECBA	
NC(=O)C1CCN([C@@H]2CC(=O)N(c3ccccc3[N+](=O)[O-])C2=O)CC1	4572979	PIPKHAGNNZMNQJ-CYBMUJFWSA-N	346.343	0.424	5	50	ECBA	
CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1OC)S(C)(=O)=O	2866398	XDOJLKBPCHTXJX-UHFFFAOYSA-N	332.334	0.933	5	50	ECBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1N=C(C(F)F)C[C@]1(O)C(F)F	1018972	NDAKIZSZMBHGQI-JTQLQIEISA-N	339.205	0.598	5	50	ECBA	
CCn1cc(S(=O)(=O)N[C@@]23CCCNC[C@@H]2C3)c([N+](=O)[O-])n1	2325827639	LZYXSWHPRWARKZ-JOYOIKCWSA-N	329.382	0.232	5	50	ECBA	
CCS(=O)(=O)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1	453746	YXHZGTHKSQUODY-UHFFFAOYSA-N	327.362	0.702	5	50	ECBA	
CN1CCN(c2ccc(C(=O)N3CCOCC3)cc2[N+](=O)[O-])CC1	4499354	VCOFBRHLJCDKCS-UHFFFAOYSA-N	334.376	0.819	5	50	ECBA	
C[C@H](CNC(=O)CCn1cc([N+](=O)[O-])cn1)N1CCOC[C@H]1C	241465932	NTBDUNOMZPBNRM-VXGBXAGGSA-N	325.369	0.407	5	50	ECBA	
C[C@H]1CN(C(=O)C(=O)Nc2cccc([N+](=O)[O-])c2)CC[S@@](=O)C1	225836932	MSHNNNGRBKZDKG-SDWAUSNYSA-N	339.373	0.760	5	50	ECBA	
O=[N+]([O-])c1cc(Cl)cnc1N1C[C@@H](O)[C@H](N2CCOCC2)C1	1776006556	QZARZBAEOCPGGM-VXGBXAGGSA-N	328.756	0.525	5	50	ECBA	
CS(=O)(=O)CC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	4517227	KFPFJKADCNQPPQ-SECBINFHSA-N	347.305	0.803	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN([C@H]2CCNC2)CC1	261810764	GMLHATSHCRJZPD-LBPRGKRZSA-N	340.405	0.263	5	50	ECBA	
Cc1nn(CCc2nnc(SCC(N)=O)n2C)c(C)c1[N+](=O)[O-]	2778907	XLUVAZKXIJRUIH-UHFFFAOYSA-N	339.381	0.357	5	50	ECBA	
CCOc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@@H](O)[C@H]2O)c([N+](=O)[O-])c1	239328989	JZIXSJLUBHNHOB-QSPSLONASA-N	328.321	0.233	5	50	ECBA	biogenic
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN([C@@H]3CCNC3)CC2)cc1	261970019	YVBYULHIRBVKGU-CYBMUJFWSA-N	340.405	0.263	5	50	ECBA	
O=C(NCCCn1ccnc1)c1nc(Cn2ccc([N+](=O)[O-])n2)no1	12360644	VAZBIVQVOHXYEH-UHFFFAOYSA-N	346.307	0.239	5	50	ECBA	
O=C(NC(=S)N[C@@H]1CCS(=O)(=O)C1)c1ccc([N+](=O)[O-])cc1	4801907	HHPBJRNLBMDPNX-SECBINFHSA-N	343.386	0.386	5	50	ECBA	
Cc1c(CC(=O)N2CCN(S(C)(=O)=O)CC2)cccc1[N+](=O)[O-]	160115822	WICNIFNZICZXLK-UHFFFAOYSA-N	341.389	0.550	5	50	ECBA	
CNc1ccc(C(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	4140057	IRPICCSOOMTUQO-JTQLQIEISA-N	327.362	0.896	5	50	ECBA	
CCCN(C(=O)c1c([N+](=O)[O-])c(C)nn1C)[C@H]1CC(=O)N(C)C1=O	283570194	OKXXCCRYLGQZDU-VIFPVBQESA-N	337.336	0.246	5	50	ECBA	
CCc1[nH]nc(C(=O)NCCCCN2CCC[C@H]2CO)c1[N+](=O)[O-]	270964774	AVMFREBSCZWHJG-NSHDSACASA-N	339.396	0.847	5	50	ECBA	
CNS(=O)(=O)c1ccc(NC(=O)c2n[nH]cc2[N+](=O)[O-])cc1	17066576	HXVZTKVGMAETCT-UHFFFAOYSA-N	325.306	0.478	5	50	ECBA	
CCn1c(CCn2cc([N+](=O)[O-])cn2)nnc1SCC(N)=O	2778436	RUZQFABVLGEMSI-UHFFFAOYSA-N	325.354	0.223	5	50	ECBA	
O=[N+]([O-])c1c(NC[C@H](O)CN2CCOCC2)nc2sccn12	266435702	LQNATCCAHUTSQS-VIFPVBQESA-N	327.366	0.409	5	50	ECBA	
CN(C)c1noc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2)n1	189519443	XSGOROMUBIZAGK-UHFFFAOYSA-N	327.322	0.522	5	50	ECBA	
Cc1ccc(Cn2c([N+](=O)[O-])nc3c2c(=O)n(C)c(=O)n3C)cc1	2522027	FRQROSSAPPJVJI-UHFFFAOYSA-N	329.316	0.699	5	50	ECBA	
C[C@@]1(C2CCN(c3ncc([N+](=O)[O-])s3)CC2)NC(=O)NC1=O	253432143	IYTXWGVSTYXLMO-LBPRGKRZSA-N	325.350	0.866	5	50	ECBA	
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(CCO)C2=O	4776441	TZSJCVUDADTLNC-CYBMUJFWSA-N	332.316	0.380	5	50	ECBA	
Cc1cc(O)nc(N2CCC[C@H](Nc3ncc([N+](=O)[O-])c(N)n3)C2)n1	952992596	PMKWUVVKPQQQIM-VIFPVBQESA-N	346.351	0.852	5	50	ECBA	
CN1CCN(C)[C@@H](CNC(=O)NCCc2cccc([N+](=O)[O-])c2)C1	221988229	JVRSOESMXUTCLR-HNNXBMFYSA-N	335.408	0.682	5	50	ECBA	
CCn1cc(S(=O)(=O)N2C[C@@H](C(=O)O)CC[C@H]2C)c([N+](=O)[O-])n1	422555084	OGGWEXGTDZNZOT-BDAKNGLRSA-N	346.365	0.685	5	50	ECBA	
O=C(O)c1cc([N+](=O)[O-])c(N2CCN(CCO)CC2)c([N+](=O)[O-])c1	8427395	IMTUMPWLHXLLJV-UHFFFAOYSA-N	340.292	0.316	5	50	ECBA	
O=C(CSc1ccccc1[N+](=O)[O-])N[C@H]1CCS(=O)(=O)C1	4819605	NFHUCEPKMFACGS-VIFPVBQESA-N	330.387	0.990	5	50	ECBA	
C[C@@H](O)[C@H]1C(=O)N2[C@H](C(=O)OCc3ccc([N+](=O)[O-])cc3)C(=O)C[C@H]12	16696721	YBIDYTOJOXKBLO-GFCLTOETSA-N	348.311	0.187	5	50	ECBA	in-vitro
NC1(C(=O)O)CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	725373393	JLCVOICKVZHYKT-UHFFFAOYSA-N	329.334	0.161	5	50	ECBA	
O=C(NCCCCN1CCC[C@@H]1CO)c1cc([N+](=O)[O-])cnc1O	271002911	GAKKWUKDZWBZRX-LLVKDONJSA-N	338.364	0.662	5	50	ECBA	
Cc1nn(C)cc1CN1CCN(C(=O)c2nn(C)cc2[N+](=O)[O-])CC1	20608388	DIUPENXFGRERJI-UHFFFAOYSA-N	347.379	0.328	5	50	ECBA	
CNC(=O)Cn1nc(NC(=O)c2c(C)cccc2[N+](=O)[O-])cc1C	362826009	KMPYJVRXBJKOFJ-UHFFFAOYSA-N	331.332	1.406	5	50	ECBA	
COCCn1c(=N)c(C(=O)OC)cc2c(=O)n3ccccc3nc21	100627875	MARACAPLLZDCEV-UHFFFAOYSA-N	328.328	0.562	5	50	ECBA	
CN1CC[C@H]2CN(c3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])C[C@@H]2C1	952991683	IGJMFJUCNNWVFU-QWRGUYRKSA-N	340.405	0.630	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@H]1C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12	5050529	LISZCJNACBYSRK-MPTQWLOMSA-N	330.296	0.790	5	50	ECBA	
Nc1ncnc(NCCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]	3912534	KJVGEPYHXUSWQS-UHFFFAOYSA-N	338.349	0.269	5	50	ECBA	
Cn1cc([N+](=O)[O-])c(C(=O)NCCc2ccc(OCC(=O)O)cc2)n1	263315759	YXMIZPOXAPKWBU-UHFFFAOYSA-N	348.315	0.764	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1C[C@H](O)C[C@H]1CO	274060520	ABKVLCRCMTXFQJ-NWDGAFQWSA-N	339.348	0.360	5	50	ECBA	
CN1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOCC2)CC1	4188590	SQHUXNWLXJAZGU-UHFFFAOYSA-N	334.376	0.819	5	50	ECBA	
O=C(NC[C@@H]1CNC[C@@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	262025580	AWMAMRNTBNPDOC-HZMBPMFUSA-N	331.332	0.091	5	50	ECBA	
CC(=O)NCCOc1ccc([N+](=O)[O-])cc1OCCNC(C)=O	6668141	QMXRJRQLNTWPBA-UHFFFAOYSA-N	325.321	0.625	5	50	ECBA	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)[C@H](CO)C1	952884756	MYOALFSFMFEXCJ-NSHDSACASA-N	329.378	0.200	5	50	ECBA	
CC1(C)O[C@H]2O[C@H](CO)[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2O1	44124213	JBPISEAXJHOQPS-HKUMRIAESA-N	338.316	0.562	5	50	ECBA	
Cn1cc(C(=O)O)c(C(=O)NCCSc2[nH]ncc2[N+](=O)[O-])n1	20616094	KOHHVTAWDSCLNP-UHFFFAOYSA-N	340.321	0.272	5	50	ECBA	
O=C1NCCn2c(CCNc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nnc21	1776007979	PYZRGWWSCQCPTP-UHFFFAOYSA-N	347.291	0.493	5	50	ECBA	
O=C1CCN(C[C@H](O)COc2ccccc2[N+](=O)[O-])[C@H]2CCCN12	952995294	HMVFFQQPWKYGEC-SWLSCSKDSA-N	335.360	0.989	5	50	ECBA	
Cc1ccc(CNC(=O)c2nc(Cn3cc([N+](=O)[O-])cn3)no2)n1C	12462461	DCJANADNQGXPOG-UHFFFAOYSA-N	345.319	0.800	5	50	ECBA	
CN1CC[C@@](O)(CNC(=O)c2ccc([N+](=O)[O-])c3cccnc23)C1	358062282	HGNSVZQYOVOBMW-MRXNPFEDSA-N	330.344	0.939	5	50	ECBA	
COC(=O)[C@H]1C[C@H]1C(=O)NC[C@H](O)COc1ccc([N+](=O)[O-])cc1	253397047	DMYAJTUAGPVIPV-UHTWSYAYSA-N	338.316	0.260	5	50	ECBA	
Cn1nc(C(F)(F)F)cc1C(=O)NCCn1cc([N+](=O)[O-])cn1	2780617	MHKLPWCFPBBVLC-UHFFFAOYSA-N	332.242	0.974	5	50	ECBA	
Cn1nncc1C1(O)CN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	952883861	SDNUHRUMFWRWSS-UHFFFAOYSA-N	337.723	0.720	5	50	ECBA	
O=[N+]([O-])c1cc2nc(NCCO)c(NCCO)nc2cc1[N+](=O)[O-]	12428353	IFQHQDDGQNRHTJ-UHFFFAOYSA-N	338.280	0.255	5	50	ECBA	
Cn1cc(Br)c(C(=O)NCCn2cc([N+](=O)[O-])cn2)n1	2776843	BQVHQHZAPVXKDH-UHFFFAOYSA-N	343.141	0.717	5	50	ECBA	
COC[C@@](C)(CO)NCCC(=O)Nc1cc([N+](=O)[O-])ccc1OC	928995852	JWAPVJALWKFWNC-OAHLLOKOSA-N	341.364	0.919	5	50	ECBA	
NC(=O)c1c[nH]c(C(=O)N2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1	188572438	QMQBJYZEIKLFAD-UHFFFAOYSA-N	330.300	0.925	5	50	ECBA	
CNC(=O)[C@]1(C(=O)O)Cc2cc([N+](=O)[O-])ccc2N2CCN(C)C[C@H]21	229809560	LLYRGLCZNALYTR-BBRMVZONSA-N	348.359	0.088	5	50	ECBA	
O=C(CN1CCOCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	19335317	CGUAXRBXSAIPLY-UHFFFAOYSA-N	334.376	0.576	5	50	ECBA	
CCc1cc(NC[C@H](O)[C@H](O)[C@@H](O)CO)c([N+](=O)[O-])cc1Cl	25664710	BGVYXPWCTXZJNU-AVGNSLFASA-N	334.756	0.298	5	50	ECBA	
COC(=O)c1cc(C(=O)NCCN2CCOCC2)cc([N+](=O)[O-])c1	19770515	BEFLEIZRMUTULO-UHFFFAOYSA-N	337.332	0.443	5	50	ECBA	
COC(=O)CN1C(=O)c2c([N+](=O)[O-])cc([N+](=O)[O-])cc2[S@@]1=O	245234303	AAVNARWROLCHOP-QFIPXVFZSA-N	329.246	0.154	5	50	ECBA	
CNC(=O)C1(C(=O)N(C)CCN(C)c2nc(C)ccc2[N+](=O)[O-])CC1	1105431805	XNVDJQULWMAVLQ-UHFFFAOYSA-N	349.391	0.719	5	50	ECBA	
O=C(NC[C@H]1CNC[C@@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	262025594	AWMAMRNTBNPDOC-YGRLFVJLSA-N	331.332	0.091	5	50	ECBA	
NC(=O)C1=C[C@@]2([N+](=O)[O-])CN(Cc3ccccc3)C[C@@]([N+](=O)[O-])(C1)C2	22135288	TZLHDTXWHKHBNR-JKSUJKDBSA-N	346.343	0.739	5	50	ECBA	
CCn1cc(S(=O)(=O)N[C@@]23CCCNC[C@H]2C3)c([N+](=O)[O-])n1	2325827637	LZYXSWHPRWARKZ-BXKDBHETSA-N	329.382	0.232	5	50	ECBA	
Cc1c(CC(=O)N(C)CC(=O)N2CCOCC2)cccc1[N+](=O)[O-]	178556796	OZIGWYWCJKZVLK-UHFFFAOYSA-N	335.360	0.763	5	50	ECBA	
CCOc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@H]2O)c([N+](=O)[O-])c1	239328987	JZIXSJLUBHNHOB-CKXAMLNGSA-N	328.321	0.233	5	50	ECBA	biogenic
O=C(Cn1ccc([N+](=O)[O-])n1)N1N=C(C(F)F)C[C@]1(O)C(F)F	1012143	BPXHKXKJVZETDU-JTQLQIEISA-N	339.205	0.598	5	50	ECBA	
O=C(OCCN1CCOCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	19911469	CSBXVEJNVODESE-UHFFFAOYSA-N	325.277	0.992	5	50	ECBA	
O=C(Cn1ccc([N+](=O)[O-])n1)n1cc(I)cn1	1069696	IZWCSODBKNIFPW-UHFFFAOYSA-N	347.072	0.933	5	50	ECBA	
CCS(=O)(=O)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1	120077	FGGPBIXZUIEONC-UHFFFAOYSA-N	327.362	0.702	5	50	ECBA	
NCCCC[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O	725374060	GPAXHQDEUDEPGT-VIFPVBQESA-N	331.350	0.455	5	50	ECBA	
Cc1ncc([N+](=O)[O-])n1CC(=O)Nc1ccc(-n2cnnn2)cc1	269570	QPXGGTRONBOJTR-UHFFFAOYSA-N	328.292	0.714	5	50	ECBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CCN[C@@]1(CO)CCOC1	952879754	RRQWQNNSCJWFNI-OAHLLOKOSA-N	339.348	0.673	5	50	ECBA	
Cn1c(=O)c2c(n3ncnc13)NC(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1	4742321	WCHWPZIXLVENBZ-SNVBAGLBSA-N	340.299	0.810	5	50	ECBA	
CN1CCC[C@@H]1C(=O)N1CCN(c2ncc([N+](=O)[O-])s2)CC1	192494666	MDZGMDMUHUAKMF-SNVBAGLBSA-N	325.394	0.794	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccccc3[N+](=O)[O-])C(=O)[C@H]12	239296954	DMHZPIRIECTZBP-APYUEPQZSA-N	330.296	0.790	5	50	ECBA	
CCCc1[nH]nc(C(=O)NCCNC(=O)c2ccn[nH]2)c1[N+](=O)[O-]	272785130	GIPMQXYNYGDBCD-UHFFFAOYSA-N	335.324	0.153	5	50	ECBA	
Cc1cc(OCC(=O)N(C2CC2)[C@H]2CC(=O)NC2=O)ccc1[N+](=O)[O-]	280640273	CIZJABPUPWJFMJ-ZDUSSCGKSA-N	347.327	0.688	5	50	ECBA	
CCc1[nH]nc(C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)c1[N+](=O)[O-]	265376748	JNGHRINHJYLKCZ-SNVBAGLBSA-N	347.335	0.149	5	50	ECBA	
CC(C)(C)C(=O)NCCNc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1	408516858	XCSYCIDSLXCZEN-UHFFFAOYSA-N	344.393	0.816	5	50	ECBA	
COc1ccc(C(=O)NC[C@H](O)CN2CCOCC2)cc1[N+](=O)[O-]	20123808	DSZTWLYHUIMAAF-LBPRGKRZSA-N	339.348	0.026	5	50	ECBA	
C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2c3cnn(C)c3ncn2n1	2802264	MXYRTNYOPWATSS-MRVPVSSYSA-N	327.308	0.919	5	50	ECBA	
N=c1c(C(N)=O)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	100088555	LIMSEYSCXIDGON-UHFFFAOYSA-N	335.323	0.869	5	50	ECBA	
Cc1nn(CCc2nc3c4cnn(C)c4ncn3n2)cc1[N+](=O)[O-]	2802801	ZMVBJNFBGKFWRH-UHFFFAOYSA-N	327.308	0.667	5	50	ECBA	
CN1CCN([C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2)C(=O)O)CC1	20362966	GFJPXYQWBVIZMD-ZDUSSCGKSA-N	336.348	0.624	5	50	ECBA	
CS(=O)(=O)N1CCN(C(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	1055338	DKUQTDQENHUHQX-UHFFFAOYSA-N	327.362	0.241	5	50	ECBA	
COC(=O)C(Br)(C(=O)OC)c1ccc([N+](=O)[O-])cn1	4049835	JKRNFSHZEAJUOQ-UHFFFAOYSA-N	333.094	0.926	5	50	ECBA	
NCc1cc(O)nc(CNS(=O)(=O)c2ccccc2[N+](=O)[O-])n1	725373540	XVCKCGZWCZUCFV-UHFFFAOYSA-N	339.333	0.028	5	50	ECBA	
CCn1cc(S(=O)(=O)N2C[C@@H](C(=O)O)CC[C@@H]2C)c([N+](=O)[O-])n1	422555086	OGGWEXGTDZNZOT-IUCAKERBSA-N	346.365	0.685	5	50	ECBA	
COc1ccc(CCNC(=O)Cn2cnc([N+](=O)[O-])n2)cc1OC	48787	FQRLHUMMTIHVIN-UHFFFAOYSA-N	335.320	0.562	5	50	ECBA	
O=c1n(CCCn2c(=O)oc3ccc([N+](=O)[O-])cc32)nnn1C1CC1	351881927	KIKXOCFHEABLSC-UHFFFAOYSA-N	346.303	0.681	5	50	ECBA	
C=CC(=O)NCCNC(=O)COc1ccc([N+](=O)[O-])c2cccnc12	1136636838	PAHMURPLJOCSGU-UHFFFAOYSA-N	344.327	0.940	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ncc2c(n1)CCNC2	725372893	BLQGQSGFHVPSRR-UHFFFAOYSA-N	335.345	0.831	5	50	ECBA	
Cn1nc([N+](=O)[O-])nc1Sc1nnnn1-c1cccc(C(=O)O)c1	1845326	CPWMOSQNTVSDBD-UHFFFAOYSA-N	348.304	0.548	5	50	ECBA	
O=C(Cn1cccc([N+](=O)[O-])c1=O)NC(=O)NCc1cccs1	161706295	JLNJDTHCNOKTRQ-UHFFFAOYSA-N	336.329	0.844	5	50	ECBA	
C[C@H]1CN(C[C@@H]2CN(C)CCO2)CCN1c1ncccc1[N+](=O)[O-]	365146162	LDIRMJDPMOWCCD-KBPBESRZSA-N	335.408	0.831	5	50	ECBA	
O=C(NC[C@@H]1CNC[C@H]1O)c1ccn(-c2ccccc2[N+](=O)[O-])n1	262025585	AWMAMRNTBNPDOC-IINYFYTJSA-N	331.332	0.091	5	50	ECBA	
CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N@+]2(C)CC[C@@H](O)[C@@H]12)C(C)C	1775964698	ATTSKHOTAFAWSP-MDOOTNJJSA-N	328.429	0.471	5	50	ECBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1N=C(C(F)F)C[C@@]1(O)C(F)F	1018973	NDAKIZSZMBHGQI-SNVBAGLBSA-N	339.205	0.598	5	50	ECBA	
CNC(=O)c1nn(C)cc1NC(=O)CCn1ncc([N+](=O)[O-])c1C	2802742	IRZRYGJFSMSBKW-UHFFFAOYSA-N	335.324	0.222	5	50	ECBA	
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NC[C@@H]1CCCO1	117401	PJRBMCUQYXFLPD-JTQLQIEISA-N	347.327	0.876	5	50	ECBA	
C[C@@]12C=C[C@@](CO)(O1)[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12	222247204	MWAWEQPSVBBHFO-KNPMLCFXSA-N	330.296	0.790	5	50	ECBA	
COC(=O)c1cc(C)nc(N2CCN[C@H](c3cn[nH]c3)C2)c1[N+](=O)[O-]	952877533	QVEBETGWCFUYQT-LBPRGKRZSA-N	346.347	0.959	5	50	ECBA	
CNc1ccc(C(=O)N(C)[C@@H]2CCS(=O)(=O)C2)cc1[N+](=O)[O-]	4140054	IRPICCSOOMTUQO-SNVBAGLBSA-N	327.362	0.896	5	50	ECBA	
CCOc1ccc(N[C@@H]2O[C@H](C)[C@H](O)[C@H](O)[C@@H]2O)c([N+](=O)[O-])c1	101103394	JZIXSJLUBHNHOB-BCVOHNGISA-N	328.321	0.233	5	50	ECBA	biogenic
Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@](CO)(O4)[C@@H]3C2=O)cc1[N+](=O)[O-]	222247344	RRAIQXFZZWHLIT-DVZHBHJUSA-N	330.296	0.709	5	50	ECBA	
CS[C@H](CO)[C@H](C)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	228276144	MMYBALAEKGWLQO-WRWORJQWSA-N	336.391	0.691	5	50	ECBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCN(c2cncc(F)c2)CC1	408515184	ADTXVAJHPYOISI-UHFFFAOYSA-N	334.311	0.674	5	50	ECBA	
N=C(N)NCCC[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	4045830	GZJXZYUXRVBOAH-SECBINFHSA-N	340.296	0.631	5	50	ECBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)NCCCN1CCNCC1	237942414	XBNINVLTDQOFFN-UHFFFAOYSA-N	328.394	0.168	5	50	ECBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CC[C@](O)(CN(C)C)C1	1775985207	HCIZAZVXFHPYHO-AWEZNQCLSA-N	343.405	0.590	5	50	ECBA	
Cc1n[n+]2c(C(=O)Nc3cccc([N+](=O)[O-])c3)c(C)[nH]n2c1[N+](=O)[O-]	12372002	LODIETFAWMFQNI-UHFFFAOYSA-O	346.283	0.933	5	50	ECBA	
CC(=O)c1cccc(NC(=O)Cn2cc([N+](=O)[O-])c(C(N)=O)n2)c1	4593313	WYDGVMGLRCOMLF-UHFFFAOYSA-N	331.288	0.732	5	50	ECBA	
COc1nn(CC(=O)N2N=C(C)C[C@@]2(O)C(F)F)cc1[N+](=O)[O-]	1003132	MMVLZKQPEBYHMF-LLVKDONJSA-N	333.251	0.362	5	50	ECBA	
O=[N+]([O-])c1cccc(S(=O)(=O)NCCCN2CCOCC2)c1	19596466	HJLKJTHYIKXTNX-UHFFFAOYSA-N	329.378	0.595	5	50	ECBA	
CCS(=O)(=O)N(C)C1CCN(c2cc(N)c([N+](=O)[O-])cn2)CC1	1262012281	QETHSZCXMZWMME-UHFFFAOYSA-N	343.409	0.822	5	50	ECBA	
O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1c[nH]c(=O)[nH]c1=O	2879406	KELGLBAFIMDEBN-UHFFFAOYSA-N	336.329	0.843	5	50	ECBA	
Cn1c(=O)c2c(nc([N+](=O)[O-])n2CCc2ccccc2)n(C)c1=O	176106	QJPVJGXFUIOADB-UHFFFAOYSA-N	329.316	0.585	5	50	ECBA	biogenic
CCc1[nH]nc(C(=O)NCCCCN2CCC[C@@H]2CO)c1[N+](=O)[O-]	270964771	AVMFREBSCZWHJG-LLVKDONJSA-N	339.396	0.847	5	50	ECBA	
C[C@H](O)[C@@H]1C(=O)N2[C@H]1CC(=O)[C@@H]2C(=O)OCc1ccc([N+](=O)[O-])cc1	54965363	YBIDYTOJOXKBLO-XBEUXYKBSA-N	348.311	0.187	5	50	ECBA	in-vitro
O=C(CN1C(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C1=O)N1CCCC1	1775989618	CUTZIBSGCJODDH-CYBMUJFWSA-N	346.343	0.680	5	50	ECBA	
O=C(OCCN1CC([N+](=O)[O-])([N+](=O)[O-])CCC1=O)c1ccccc1	19321418	KZTNMGMUTQGFFZ-UHFFFAOYSA-N	337.288	0.716	5	50	ECBA	
C=CC(=O)N1CCCC[C@@H](NC(=O)CCn2cc([N+](=O)[O-])cn2)C1	1875371361	YBXSGBFTQYLGJF-GFCCVEGCSA-N	335.364	0.865	5	50	ECBA	
CCn1cc(S(=O)(=O)N2C[C@H](C(=O)O)CC[C@H]2C)c([N+](=O)[O-])n1	422555087	OGGWEXGTDZNZOT-RKDXNWHRSA-N	346.365	0.685	5	50	ECBA	
CCCc1[nH]nc(C(=O)NC[C@H](CO)[C@H]2CCOC2)c1[N+](=O)[O-]	280569225	VWGCGNZNBMKZJX-VHSXEESVSA-N	326.353	0.645	5	50	ECBA	
O=C(NCCCn1ccnc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12360639	BWPSYIXXSHYAAQ-UHFFFAOYSA-N	346.307	0.239	5	50	ECBA	
CCOCCCn1c(=N)c(C(N)=O)cc2c(=O)n3ccccc3nc21	100088255	LSRVDKPHQMBHAA-UHFFFAOYSA-N	341.371	0.654	5	50	ECBA	
COc1cc(C(=O)N2CC(N(C)OC)C2)c([N+](=O)[O-])cc1OC	1456421618	SSZBURORDUAKRL-UHFFFAOYSA-N	325.321	0.930	5	50	ECBA	
Cn1c(=O)c([N+](=O)[O-])c(N2CCN(CCO)CC2)c2ccccc21	19808434	GGTKUXXRVLZOPU-UHFFFAOYSA-N	332.360	0.561	5	50	ECBA	
CC1=C(C(=O)OCCn2c([N+](=O)[O-])cnc2C)Cn2ncnc2N1C	225387664	PWCSBFLZRKYDBQ-UHFFFAOYSA-N	347.335	0.658	5	50	ECBA	
COc1nn(CC(=O)N2N=C(C)C[C@]2(O)C(F)F)cc1[N+](=O)[O-]	1003131	MMVLZKQPEBYHMF-NSHDSACASA-N	333.251	0.362	5	50	ECBA	
CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc([N+](=O)[O-])c1	4505343	JSPYSPFPYGKWQT-NSHDSACASA-N	348.402	0.793	5	50	ECBA	
O=C(Cn1ccc(=O)c([N+](=O)[O-])c1)N1CC(F)(F)OC(F)(F)C1	952876954	IYVIXTSEHBRXDB-UHFFFAOYSA-N	339.201	0.801	5	50	ECBA	
O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCc1ncccn1	253420714	YVYUARJXJLMMBH-UHFFFAOYSA-N	329.316	0.821	5	50	ECBA	
CNS(=O)(=O)c1ccc(N[C@@H]2C(=O)NCC[C@@H]2C)c([N+](=O)[O-])c1	225645862	UEXJQQMQSZOTPY-UFBFGSQYSA-N	342.377	0.439	5	50	ECBA	
Cc1nn(CC(=O)N2N=CC[C@@]2(O)C(F)(F)F)c(C)c1[N+](=O)[O-]	6526240	UALGIVRSOPCPDF-SNVBAGLBSA-N	335.242	0.877	5	50	ECBA	
COC(=O)[C@H]1Cc2ccccc2CN1C(=O)Cn1nccc1[N+](=O)[O-]	193317585	CGSADXOEQINMOJ-CYBMUJFWSA-N	344.327	0.918	5	50	ECBA	
Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@@]2(CO)C=C[C@H]3O2)cc1[N+](=O)[O-]	101115730	RRAIQXFZZWHLIT-JXFSHQFZSA-N	330.296	0.709	5	50	ECBA	
CNC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)c1=N	100627974	WOQWONBOJOZDJM-UHFFFAOYSA-N	341.371	0.525	5	50	ECBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCS(=O)(=O)C[C@@H]1C1CCC1	424062384	VFUMRKSSGQMFJL-GFCCVEGCSA-N	342.377	0.217	5	50	ECBA	
Cc1cc([N+](=O)[O-])cn(CCN2C(=O)NC3(CCCC3)C2=O)c1=O	155934100	LMJMVLIFFPWIBH-UHFFFAOYSA-N	334.332	0.930	5	50	ECBA	
COC(=O)c1cc(C)nc(N[C@H](CO)CC2OCCO2)c1[N+](=O)[O-]	952881753	MOYGALMUAQOERH-VIFPVBQESA-N	341.320	0.621	5	50	ECBA	
Cc1nc(N2CCS(=O)(=NS(C)(=O)=O)CC2)ccc1[N+](=O)[O-]	408518562	NSSCIOJCSYAGRY-UHFFFAOYSA-N	348.406	0.546	5	50	ECBA	
O=C(CSc1nnnn1-c1ccccc1)Nc1nonc1[N+](=O)[O-]	12377120	JBDBCXAGYNDCEY-UHFFFAOYSA-N	348.304	0.684	5	50	ECBA	
O=[N+]([O-])c1ccc(N2CCN(CCO)CC2)cc1SCCO	19818149	WWCDDOHHXWPJNK-UHFFFAOYSA-N	327.406	0.794	5	50	ECBA	
O=C(NCCCCN1CCC[C@H]1CO)c1cc([N+](=O)[O-])cnc1O	271002917	GAKKWUKDZWBZRX-NSHDSACASA-N	338.364	0.662	5	50	ECBA	
CS[C@@H](CO)[C@@H](C)NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1	228276118	MMYBALAEKGWLQO-HQJQHLMTSA-N	336.391	0.691	5	50	ECBA	
CN1C(=O)N(C)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N(C)C2)C1=O	4629415	DVTBLUUUVRYJBL-UHFFFAOYSA-N	332.316	0.624	5	50	ECBA	
O=C(Cn1cc([N+](=O)[O-])cn1)N1CCS(=O)(=O)C[C@H]1C1CCC1	424062387	VFUMRKSSGQMFJL-LBPRGKRZSA-N	342.377	0.217	5	50	ECBA	
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C1=O	229900811	GVXPGEVVMIGYEA-BLLLJJGKSA-N	344.327	0.814	5	50	ECBA	
O=C(CN1C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C1=O)N1CCCC1	1775989623	CUTZIBSGCJODDH-ZDUSSCGKSA-N	346.343	0.680	5	50	ECBA	
CNS(=O)(=O)c1ccc(N[C@@H]2C(=O)NCC[C@H]2C)c([N+](=O)[O-])c1	225645917	UEXJQQMQSZOTPY-PELKAZGASA-N	342.377	0.439	5	50	ECBA	
CCOC(=O)[C@H](Cc1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1)NC(C)=O	2571400	SJSFXFJUJDOSND-VIFPVBQESA-N	341.276	0.819	5	50	ECBA	in-vitro
O=C(O)CN1C(=O)c2cc(N3CCOCC3)c([N+](=O)[O-])cc2C1=O	4140289	YMDBWIJENJSOCX-UHFFFAOYSA-N	335.272	0.112	5	50	ECBA	
COc1cccc(NC(=O)OC[C@@H]2C[N+]34CCO[B-]3(OCC4)O2)c1	195831946	POHDATQFVSMOFW-NXVRBGIVSA-N	336.153	0.955	5	50	ECBA	
O=C(NCc1cccnc1)c1nc(Cn2cc([N+](=O)[O-])cn2)no1	12374820	PGJRLOCBPIBHIP-UHFFFAOYSA-N	329.276	0.548	5	50	ECBA	
CN1CCN(c2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])CC1	4007572	UQACIWMQULLVIL-UHFFFAOYSA-N	349.435	0.461	5	50	ECBA	
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCN(C)[C@@H](CO)C1	952884755	MYOALFSFMFEXCJ-LLVKDONJSA-N	329.378	0.200	5	50	ECBA	
CNS(=O)(=O)c1c(N2CCO[C@H](COC)C2)cccc1[N+](=O)[O-]	408518685	UTBCQLOBRCFBLA-JTQLQIEISA-N	345.377	0.355	5	50	ECBA	
Cn1nc([N+](=O)[O-])nc1Oc1ccccc1C(=O)N1CCOCC1	528928	TWCHUOCHTWSYIN-UHFFFAOYSA-N	333.304	0.988	5	50	ECBA	
COCCn1ccc2nc3ccn(-c4ncn[nH]4)c(=O)c3cc2c1=O	32105588	QMZVIFKGFMJPFV-UHFFFAOYSA-N	338.327	0.465	5	50	ECBA	
O=[N+]([O-])c1ccc(N2CCNCC2)cc1NCCN1CCOCC1	4687525	RBIHLMCEGURXBK-UHFFFAOYSA-N	335.408	0.749	5	50	ECBA