smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc([N+](=O)[O-])c([N+](=O)[O-])cc1Cl	5105578	WQSOOJHJGVAMQN-UHFFFAOYSA-N	216.580	2.465	5	40	BEBB	in-vitro
CC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	1723130	QSNCAYQUMQNBDB-UHFFFAOYSA-N	204.185	2.279	5	40	BEBB	
O=[N+]([O-])c1cc(F)ccc1N1CCSCC1	59391814	AMLCXLJXJRGNEX-UHFFFAOYSA-N	242.275	2.287	5	40	BEBB	
CN(c1ccncc1[N+](=O)[O-])C1CCCC1	79052333	MVTLXDCRPPLTBZ-UHFFFAOYSA-N	221.260	2.369	5	40	BEBB	
O=[N+]([O-])c1c(F)ccc(Br)c1O	91297292	CQJOFGRGDPFXEA-UHFFFAOYSA-N	235.996	2.202	5	40	BEBB	in-vitro
CCn1cc([N+](=O)[O-])c(NCc2ccccc2)n1	95098537	DTXKNORDZPNQCB-UHFFFAOYSA-N	246.270	2.423	5	40	BEBB	
CC[C@H]1C(=O)Nc2ccc([N+](=O)[O-])cc21	39101067	ZKMXNIUIYAJTPU-SSDOTTSWSA-N	206.201	2.041	5	40	BEBB	
Cc1nc(Cl)c2cc([N+](=O)[O-])ccc2n1	38540036	SVLWKWGOOHGUNE-UHFFFAOYSA-N	223.619	2.500	5	40	BEBB	
Cn1c(C(=O)O)ccc1-c1ccccc1[N+](=O)[O-]	67299989	XXKHDQQCAYCAMW-UHFFFAOYSA-N	246.222	2.299	5	40	BEBB	
CCN(CC)c1ccc([N+](=O)[O-])c(C)n1	95483592	CXYAEVLXLIHNDQ-UHFFFAOYSA-N	209.249	2.144	5	40	BEBB	
CC[C@H]([C@@H](O)c1ccc(Cl)cc1)[N+](=O)[O-]	1672918	UBUNZDNQICLZHE-ZJUUUORDSA-N	229.663	2.429	5	40	BEBB	
CCOC(=O)CCCCCCC[N+](=O)[O-]	196418338	TVKYMYQYGRCVMT-UHFFFAOYSA-N	217.265	2.167	5	40	BEBB	
Cc1onc(-c2cccc([N+](=O)[O-])c2)c1C(=O)O	3161241	WRTHFIGWWRXPLR-UHFFFAOYSA-N	248.194	2.256	5	40	BEBB	
COc1ccc(NC(=O)C(C)C)cc1[N+](=O)[O-]	9141548	JPHQUUPELMMXQA-UHFFFAOYSA-N	238.243	2.198	5	40	BEBB	
Cc1cnn(-c2ccc([N+](=O)[O-])cc2F)c1	12396474	XWSIOZRQTUSIGV-UHFFFAOYSA-N	221.191	2.228	5	40	BEBB	
COc1ccnc(Oc2ccccc2[N+](=O)[O-])n1	9051566	VYPKSJAMOSZAMP-UHFFFAOYSA-N	247.210	2.186	5	40	BEBB	
Cc1nc(NC(=O)c2ccco2)ccc1[N+](=O)[O-]	84028815	DKILKEOIQVIIJH-UHFFFAOYSA-N	247.210	2.144	5	40	BEBB	
O=[N+]([O-])c1cc2cccnc2nc1Cl	5338217	KTRXRJOJYKQKKS-UHFFFAOYSA-N	209.592	2.191	5	40	BEBB	
CC[N+]1(CC)CC[N+]2(CCC[C@H](C)CC2)CC1	4747954	MRXFZACGNKESHF-HNNXBMFYSA-N	240.435	2.493	5	40	BEBB	
CC1=CC[C@@H]2C[N+](C)(CC[N+](C)(C)C)C[C@@H]2C1	4759033	FCTKSLGQPJQCMH-CKDQBVIESA-N	238.419	2.125	5	40	BEBB	
Cc1nccn1-c1ccc([N+](=O)[O-])cc1F	12399106	OFQPXQKCDVRGCK-UHFFFAOYSA-N	221.191	2.228	5	40	BEBB	
CC(C)Oc1nc(Cl)ccc1[N+](=O)[O-]	34520911	DKFKAZUTHFILIQ-UHFFFAOYSA-N	216.624	2.430	5	40	BEBB	in-vitro
COc1c([N+](=O)[O-])cc(N=O)c(C)c1[N+](=O)[O-]	4934459	TUQBFRAAVPJNOZ-UHFFFAOYSA-N	241.159	2.218	5	40	BEBB	
CCC[C@@]1([N+]2(C)CCCC2)C[S@@](=O)[C@@H]1CC	5179349	GNAHNCGQQCEKIG-IOASZLSFSA-N	244.424	2.307	5	40	BEBB	
CCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5250204	VTYSAZUSTIWCND-UHFFFAOYSA-N	225.204	2.325	5	40	BEBB	
COc1nc2[nH]c(C)cc(=O)c2c2ccccc12	5503883	GITJDBRDVFSWIA-UHFFFAOYSA-N	240.262	2.393	5	40	BEBB	
C[N+]12CCCC[C@H]1[C@@H](CCCO)CCC2	3208308	MBZRGAYZZWRWKM-AMIUJLCOSA-N	212.357	2.168	5	40	BEBB	
O=[N+]([O-])c1ccc(-c2ccncn2)cc1	1437385	YCSVBEUJTTWMGF-UHFFFAOYSA-N	201.185	2.052	5	40	BEBB	
O=[N+]([O-])c1ccc(Nc2ccc(O)cc2)nc1	4587439	LARDZHLGGLGVNV-UHFFFAOYSA-N	231.211	2.439	5	40	BEBB	
C[C@@H]1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1	5763457	FIPKCEKPLFDUTJ-RYGSOJJJSA-N	233.223	2.314	5	40	BEBB	
Nc1cccc2[nH]c(=O)c3ccccc3c12	8649788	NFXOKVMFFVPTQR-UHFFFAOYSA-N	210.236	2.264	5	40	BEBB	
O=Cc1ccc(OCC(F)F)c([N+](=O)[O-])c1	37756019	SWFGHJHLHIJGPV-UHFFFAOYSA-N	231.154	2.051	5	40	BEBB	
O=C(O)/C=C/C=C\c1ccccc1[N+](=O)[O-]	8617673	IJXZQTLMGOOIAI-VKDZAETISA-N	219.196	2.249	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)N1CCC2CC1	100717826	UEJJDRZSAFWMMU-UHFFFAOYSA-N	204.229	2.292	5	40	BEBB	
O=[N+]([O-])c1ccc(OC(F)F)cc1F	47203269	IJQVALKYFMLISU-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	in-vitro
CC(C)(C)[C@H](O)CNc1ccc([N+](=O)[O-])cc1	71900428	XEWRCSYFEJUJTH-LLVKDONJSA-N	238.287	2.414	5	40	BEBB	
CCOC(=O)Cc1ccc([N+](=O)[O-])cc1C	85210448	CLQRCGACMNLMIF-UHFFFAOYSA-N	223.228	2.009	5	40	BEBB	
COc1ccc(OC(F)F)c([N+](=O)[O-])c1	2654639	CJRWZVCOTDAROG-UHFFFAOYSA-N	219.143	2.205	5	40	BEBB	
Cc1c(C(=O)NC(C)(C)C)cccc1[N+](=O)[O-]	4672588	PVVGNDMFXOFABT-UHFFFAOYSA-N	236.271	2.432	5	40	BEBB	
CNc1ccc(Nc2ncccc2[N+](=O)[O-])cn1	42739672	LJHLSNCNMDOMLT-UHFFFAOYSA-N	245.242	2.170	5	40	BEBB	
O=[N+]([O-])c1ccc2c(O)cc([N+](=O)[O-])cc2c1	68675213	OQPOALPVLHLVLH-UHFFFAOYSA-N	234.167	2.362	5	40	BEBB	
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C=O	19473508	CWGQHJUSQIRUNY-UHFFFAOYSA-N	245.238	2.210	5	40	BEBB	
O=[N+]([O-])c1cccc2nc(Cl)cnc12	85217613	XYLXKWNSXXAUEB-UHFFFAOYSA-N	209.592	2.191	5	40	BEBB	
Cc1ccccc1Cn1cc(C)c([N+](=O)[O-])n1	281148238	KNJDRKQGJMGBDD-UHFFFAOYSA-N	231.255	2.456	5	40	BEBB	
NC(=O)c1cc2ccncc2c2ccccc12	1734470	PLNYAUONFCXPFC-UHFFFAOYSA-N	222.247	2.487	5	40	BEBB	
O=[N+]([O-])c1[nH]cnc1/C=C\c1ccccc1	8615520	QXGIKCKEMSLDCG-SREVYHEPSA-N	215.212	2.488	5	40	BEBB	
Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1C=O	26509826	QVFDNLRMOAFEPM-UHFFFAOYSA-N	245.238	2.210	5	40	BEBB	
COc1ccc(/C=C(\C)[N+](=O)[O-])cc1OC	4696938	JGFBGRHDJMANRR-SOFGYWHQSA-N	223.228	2.341	5	40	BEBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1OC	45958856	MNOZMLMZHQBQMV-UHFFFAOYSA-N	224.260	2.450	5	40	BEBB	
CCOc1c([N+](=O)[O-])cc(C)cc1[N+](=O)[O-]	39631172	IWBFKZGEGJERAS-UHFFFAOYSA-N	226.188	2.210	5	40	BEBB	
O=[N+]([O-])c1cc(Br)c2nc[nH]c2c1	67802419	QVLQTTFTEFTUJE-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	
Cc1cc(-c2cc(O)on2)ccc1[N+](=O)[O-]	71976661	DPIFDYOBSOGXST-UHFFFAOYSA-N	220.184	2.264	5	40	BEBB	
CC(=O)CCCOc1ccc([N+](=O)[O-])cc1	1703075	MHPXEJMEWUNHCX-UHFFFAOYSA-N	223.228	2.343	5	40	BEBB	
O=C1CCCC[C@@H]1[C@@H](O)c1cccc([N+](=O)[O-])c1	3017190	OFFGBOIAXPIJKZ-AAEUAGOBSA-N	249.266	2.388	5	40	BEBB	biogenic
CC[C@@H]1C(=O)Nc2ccc([N+](=O)[O-])cc21	100258808	ZKMXNIUIYAJTPU-ZETCQYMHSA-N	206.201	2.041	5	40	BEBB	
COCC[C@@H](C)Nc1ccccc1[N+](=O)[O-]	45022733	ZSVJZBNXMMEZSK-SECBINFHSA-N	224.260	2.432	5	40	BEBB	
Cc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1	72334138	HLOUVGYGWRUVMJ-UHFFFAOYSA-N	233.227	2.136	5	40	BEBB	
Cc1cc(C(=O)N2CCCC2)ccc1[N+](=O)[O-]	4144511	CHGDIFKNAQDQBY-UHFFFAOYSA-N	234.255	2.139	5	40	BEBB	
CC(C)Oc1ccc([N+](=O)[O-])cc1C=O	20156213	TZPVPJUHWLYGSL-UHFFFAOYSA-N	209.201	2.195	5	40	BEBB	in-vitro
O=[N+]([O-])c1cnc2c(Br)cccn12	89202199	QVWSYJTXGMBMSW-UHFFFAOYSA-N	242.032	2.005	5	40	BEBB	
CCOC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12	167412562	FHHCMFCKRCHHBO-UHFFFAOYSA-N	234.211	2.253	5	40	BEBB	
Cc1cc([N+](=O)[O-])ccc1NC(=O)C(F)(F)F	4016099	AICHEQGSNQIMPY-UHFFFAOYSA-N	248.160	2.404	5	40	BEBB	
O=C(O)c1ccc2[nH]c3ccccc3c(=O)c2c1	32263989	KNRDPQQUAODUQR-UHFFFAOYSA-N	239.230	2.380	5	40	BEBB	
C[N+](C)(C)CCO[C@@H]1CCc2ccccc2C1	16248926	GYVDHBJFAIIIFO-OAHLLOKOSA-N	234.363	2.267	5	40	BEBB	
O=[N+]1C=C[C](c2cccc([N+](=O)[O-])c2)C=C1	368044823	BOMJGOANUZLWDD-UHFFFAOYSA-N	216.196	2.337	5	40	BEBB	
CCCCNCc1cccc([N+](=O)[O-])c1	5973588	LFIUBWLELXVDML-UHFFFAOYSA-N	208.261	2.485	5	40	BEBB	
O=[N+]([O-])c1c[nH]nc1-c1c(F)cccc1F	42415185	RIGHNTBNQKGGSW-UHFFFAOYSA-N	225.154	2.263	5	40	BEBB	
Cc1ccc(-n2nc([N+](=O)[O-])cc2C)cc1	57429465	HETQCCXMSZZWIQ-UHFFFAOYSA-N	217.228	2.397	5	40	BEBB	
C[N+]1([C@@H]2CC[C@H]3CCC[C@H]2[C@@H]3O)CCCC1	101261464	XPLDIPBUNDHFNG-AAVRWANBSA-N	224.368	2.166	5	40	BEBB	
CC[C@H](O)COc1cc(C)c([N+](=O)[O-])cc1C	62998408	UKHDSVGYNUVWDW-JTQLQIEISA-N	239.271	2.361	5	40	BEBB	
COC(=O)C12CC(c3ccc([N+](=O)[O-])cc3)(C1)C2	575624055	AECUFRKDHDXVBL-UHFFFAOYSA-N	247.250	2.190	5	40	BEBB	
c1cc2nnc3cccc4nnc(c1)c2c34	1704361	KBGLLTZFGISMPR-UHFFFAOYSA-N	206.208	2.164	5	40	BEBB	
COc1c(C(=O)O)cc2ccccc2c1[N+](=O)[O-]	40545802	MUVZJQACJUUVNF-UHFFFAOYSA-N	247.206	2.455	5	40	BEBB	
O=[N+]([O-])c1ccn(CCCOc2ccccc2)n1	67799132	NCYBSGFYRHLFKZ-UHFFFAOYSA-N	247.254	2.260	5	40	BEBB	
O=[N+]([O-])c1ccc2[nH]c(Br)nc2c1	80443442	AZDRFCMMCKMEMX-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	
C[C@@H](CCO)CNc1cc(F)ccc1[N+](=O)[O-]	97443233	PZOGZZQTGGHBPP-QMMMGPOBSA-N	242.250	2.164	5	40	BEBB	
CCN(CC)C(=N)c1cccc([N+](=O)[O-])c1	3161136	NEKVGGINNUTJSI-UHFFFAOYSA-N	221.260	2.262	5	40	BEBB	
Cc1cc2cc3c(O)nc(O)nc3nc2cc1C	13542876	FSOQDJAHSRUDCZ-UHFFFAOYSA-N	241.250	2.206	5	40	BEBB	in-vitro
CCn1c(S)nc2cc([N+](=O)[O-])ccc21	256054324	VWDKWGLXIPDHAO-UHFFFAOYSA-N	223.257	2.253	5	40	BEBB	
C[N+]1(Cc2ccccc2)[C@H]2CC[C@H]1CC(O)C2	100799313	BSGSJFKWCAYJRL-FXQLRMTLSA-N	232.347	2.319	5	40	BEBB	
COCc1nc2cc([N+](=O)[O-])cc(C)c2o1	216761134	DUVNZUZCUIGNOR-UHFFFAOYSA-N	222.200	2.191	5	40	BEBB	
OC[C@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1	4090285	RTNPHJYOQAZHEN-YGFGXBMJSA-N	248.346	2.252	5	40	BEBB	
Oc1nc2nc3ccccc3n2c2ncccc12	7986555	ZXOYNUGSLWSMNX-UHFFFAOYSA-N	236.234	2.136	5	40	BEBB	
Cc1noc(C)c1COc1cccnc1[N+](=O)[O-]	36776320	HCGFHPGKUUSGIO-UHFFFAOYSA-N	249.226	2.174	5	40	BEBB	
CCNc1ccc(-c2nc(C)no2)cc1[N+](=O)[O-]	20897914	WVYSAQXXJJMHNT-UHFFFAOYSA-N	248.242	2.385	5	40	BEBB	
Cc1cccc(-c2n[nH]cc2[N+](=O)[O-])c1	42415220	KJNSSIXSXYWMRR-UHFFFAOYSA-N	203.201	2.293	5	40	BEBB	
CC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1	67949641	HZOUMTGYUJQEBX-UHFFFAOYSA-N	220.228	2.372	5	40	BEBB	
C[C@]1(c2ccccc2)OCO/C1=C\C[N+](C)(C)C	5920961	JPNCZPWWFQNQJI-BAAYTWLHSA-N	248.346	2.496	5	40	BEBB	
O=c1c2cccc([N+](=O)[O-])c2ccn1C(F)F	252497739	QOTSKUADHITRCF-UHFFFAOYSA-N	240.165	2.305	5	40	BEBB	
CC(C)(C)OC(=O)Nc1ncc([N+](=O)[O-])s1	95756120	RXMLVEWFOGGQOW-UHFFFAOYSA-N	245.260	2.398	5	40	BEBB	
C[N+]1(C[C@@H]2COC3(CCCCC3)O2)CCCC1	202477	JSKKYIIBEYAWBH-CYBMUJFWSA-N	240.367	2.303	5	40	BEBB	
Nc1cc(OCC(F)(F)F)cc([N+](=O)[O-])c1	355104	GAUUCMLQGPSJKA-UHFFFAOYSA-N	236.149	2.118	5	40	BEBB	aggregator
O=[N+]([O-])c1cnn(CCc2cccs2)c1	77931454	MAHNMWOLOKQTIJ-UHFFFAOYSA-N	223.257	2.096	5	40	BEBB	
CCOc1ccc([N+](=O)[O-])c(Cl)c1C(=O)O	536953444	IAHPEXCHDZQGGG-UHFFFAOYSA-N	245.618	2.345	5	40	BEBB	
CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	3183567	QUMQBQADXFETJW-UHFFFAOYSA-N	214.608	2.207	5	40	BEBB	
O=[N+]([O-])c1ccc(NCCCO)c(Cl)c1	4602984	YIMUGPSFJPUQFJ-UHFFFAOYSA-N	230.651	2.043	5	40	BEBB	
CCOC(=O)/C(F)=C/c1ccc([N+](=O)[O-])cc1	1625469	SBTMSTNJVHJCKH-YFHOEESVSA-N	239.202	2.468	5	40	BEBB	
CC(C)CNCc1ccc([N+](=O)[O-])cc1	1717589	HPYJMVGZNHZEQP-UHFFFAOYSA-N	208.261	2.340	5	40	BEBB	
CN(C)[C@@H]1C=CC[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	31669893	XEFALROTPLJINF-MCIONIFRSA-N	246.310	2.306	5	40	BEBB	
O=[N+]([O-])c1ccc(OC2CCOCC2)c(F)c1	67800825	IZIOFGMNFDNLDF-UHFFFAOYSA-N	241.218	2.292	5	40	BEBB	
C[N+]1(C)CCCNc2nc3ccccc3nc21	6588192	WDHICMFUTDBHIR-UHFFFAOYSA-N	229.307	2.012	5	40	BEBB	
CCOCCSc1ccc([N+](=O)[O-])cn1	95404371	BEECPMRWTPGWBT-UHFFFAOYSA-N	228.273	2.118	5	40	BEBB	
CNc1nnc(-c2ccc([N+](=O)[O-])cc2)s1	1238280	PXMDYMXZMKIEQI-UHFFFAOYSA-N	236.256	2.155	5	40	BEBB	
C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)O	6249497	FPVGJIAXEJMVRU-YFKPBYRVSA-N	245.618	2.100	5	40	BEBB	
Cc1cccn2c1nc1ccc([N+](=O)[O-])nc12	5161376	MKGAVJXZBKHNNJ-UHFFFAOYSA-N	228.211	2.099	5	40	BEBB	in-vitro
CC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	1690213	MKWCZAGQLZTPIE-UHFFFAOYSA-N	204.185	2.279	5	40	BEBB	
CCNc1cc(Cl)c2nonc2c1[N+](=O)[O-]	4894750	GQTWXKJUGJYTQD-UHFFFAOYSA-N	242.622	2.216	5	40	BEBB	
O=Cc1ccc([N+](=O)[O-])cc1N1CCCC1	95081362	BAFXYDGKSUGBJC-UHFFFAOYSA-N	220.228	2.008	5	40	BEBB	
C[C@H]1Oc2ccc([N+](=O)[O-])cc2O[C@H](C)O1	345575	NQNONZOFJVHECQ-RNFRBKRXSA-N	225.200	2.075	5	40	BEBB	
O=Cc1cc(Br)sc1[N+](=O)[O-]	66055081	FSWWDXRRJRWFTC-UHFFFAOYSA-N	236.046	2.231	5	40	BEBB	
Cc1cccnc1CNc1ccc([N+](=O)[O-])cn1	69846089	KFNRMIOCGRCECG-UHFFFAOYSA-N	244.254	2.305	5	40	BEBB	
C[N+]12CCCC[C@@H]1[C@H](CCCO)CCC2	4610460	MBZRGAYZZWRWKM-WLDKUNSKSA-N	212.357	2.168	5	40	BEBB	
Cc1ccc(-n2cccc2CO)c([N+](=O)[O-])c1	44198842	NROZXDWAWXEJQY-UHFFFAOYSA-N	232.239	2.186	5	40	BEBB	
CCN(CC1CC1)c1ccncc1[N+](=O)[O-]	69797831	OGRPJZSEEOKKEJ-UHFFFAOYSA-N	221.260	2.226	5	40	BEBB	
CN(C)[C@@H]1[C@H]([N+](C)(C)C)[C@@H]2CC[C@]1(C)C2(C)C	100364824	RLYOCQKBFBQTAD-JLNYLFASSA-N	239.427	2.448	5	40	BEBB	
CC(C)COCc1cccc([N+](=O)[O-])c1N	229823643	KJKHARCUQJHMLU-UHFFFAOYSA-N	224.260	2.350	5	40	BEBB	
CCc1cc(N)c2cc([N+](=O)[O-])ccc2n1	95221002	ZPLJJBCBWSWICA-UHFFFAOYSA-N	217.228	2.288	5	40	BEBB	in-vitro
CS[C@]1(C)C(=O)Nc2cc([N+](=O)[O-])ccc21	2041549	USUBQHOXUOPTCG-JTQLQIEISA-N	238.268	2.125	5	40	BEBB	
COC[C@H](C)Nc1ccc([N+](=O)[O-])cc1	21516727	CGKXVRSFGQJDNK-QMMMGPOBSA-N	210.233	2.042	5	40	BEBB	
COC(=O)c1cccc2cc3cccc[n+]3cc12	1713663	GYCMSHXWLPADGZ-UHFFFAOYSA-N	238.266	2.365	5	40	BEBB	
CC(=O)c1cnc2c([N+](=O)[O-])cccc2c1O	79106844	FOAJXXQLVZVJHN-UHFFFAOYSA-N	232.195	2.051	5	40	BEBB	
CC(=O)CSCc1ccccc1[N+](=O)[O-]	81273163	KUNVNTDFECGDPE-UHFFFAOYSA-N	225.269	2.417	5	40	BEBB	
O=C(O)c1ccc2ccc3cccnc3c2n1	1764165	MTAHTDBOMUECCQ-UHFFFAOYSA-N	224.219	2.481	5	40	BEBB	
Cn1c(C(=O)O)ccc1-c1cccc([N+](=O)[O-])c1	49531946	JQTORBBORAMEQO-UHFFFAOYSA-N	246.222	2.299	5	40	BEBB	
O=C(OCC(F)F)c1cccc([N+](=O)[O-])c1	71803575	CGNUKDSATNKJHB-UHFFFAOYSA-N	231.154	2.017	5	40	BEBB	
O=[N+]([O-])c1cccc(N(CCF)CCF)c1	1674503	AVKZKDOCLAZPHN-UHFFFAOYSA-N	230.214	2.340	5	40	BEBB	
Nc1c(OC(F)(F)F)cccc1[N+](=O)[O-]	115303030	PLBYWLQBIKTTNZ-UHFFFAOYSA-N	222.122	2.076	5	40	BEBB	
Nc1ncnc(Sc2ccccc2)c1[N+](=O)[O-]	4059103	PDLJHTDPXHISGM-UHFFFAOYSA-N	248.267	2.118	5	40	BEBB	
Cc1noc(-c2ccc(N(C)C)c([N+](=O)[O-])c2)n1	20897927	WYDNKQAMYQWDMX-UHFFFAOYSA-N	248.242	2.019	5	40	BEBB	
CCc1cc(CNc2ccccc2[N+](=O)[O-])[nH]n1	71900465	ABCZYQKXXLMCSS-UHFFFAOYSA-N	246.270	2.492	5	40	BEBB	
CC(=O)S[C@@H](C[N+](=O)[O-])c1ccccc1	1721003	YPTUXBSIFZOUKX-JTQLQIEISA-N	225.269	2.284	5	40	BEBB	
CCN1CCCN(c2ccc([N+](=O)[O-])cc2)CC1	96453670	YCQFBQCKQKOPAK-UHFFFAOYSA-N	249.314	2.127	5	40	BEBB	
CN(C)C(=O)Oc1ccc(Cl)cc1[N+](=O)[O-]	1615453	POWBZIZIWHJTKA-UHFFFAOYSA-N	244.634	2.309	5	40	BEBB	
CS[C@]1(C)C(=O)Nc2cccc([N+](=O)[O-])c21	2041550	VIEILYWATRTRRA-JTQLQIEISA-N	238.268	2.125	5	40	BEBB	
C[C@H](/C=C\c1ccc2c(c1)OCO2)[N+](=O)[O-]	17041116	CLPNZMJFDBSNRO-YAJNLLPGSA-N	221.212	2.094	5	40	BEBB	
O=Cc1c(F)cc(Br)cc1[N+](=O)[O-]	261507426	IKIBCVVUGNCJEZ-UHFFFAOYSA-N	248.007	2.309	5	40	BEBB	
COc1ccc2[nH]c(/C=C/[N+](=O)[O-])cc2c1	493768	TYDVQLKKHXDCAB-SNAWJCMRSA-N	218.212	2.424	5	40	BEBB	
CC1(C)CNc2ccc([N+](=O)[O-])cc2O1	38951697	BOGRULXNEDXAHK-UHFFFAOYSA-N	208.217	2.178	5	40	BEBB	
COC(=O)[C@H](C)Sc1sccc1[N+](=O)[O-]	96492787	JRIAQZHGSSJPKV-YFKPBYRVSA-N	247.297	2.310	5	40	BEBB	
COCCCOc1ccc([N+](=O)[O-])cc1	67800524	RBNQKQWWMUSBBC-UHFFFAOYSA-N	211.217	2.010	5	40	BEBB	
CN(C)c1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-]	70462209	DJBROGVZBZZASV-UHFFFAOYSA-N	244.634	2.012	5	40	BEBB	
Cc1cc(N[C@H](C)CCO)ccc1[N+](=O)[O-]	72293787	VICUFVMBVVIGQR-SECBINFHSA-N	224.260	2.086	5	40	BEBB	
Cc1cnc(NCCc2ccc[nH]2)c([N+](=O)[O-])c1	97047868	YFMIDRNGCMRMOC-UHFFFAOYSA-N	246.270	2.281	5	40	BEBB	
CC(C)[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	16468737	SOEWQAGRXNAMRP-SECBINFHSA-N	236.271	2.369	5	40	BEBB	
CC(C)Oc1ccc(C(=O)O)cc1[N+](=O)[O-]	19277103	YRJMQBFZZKIYDN-UHFFFAOYSA-N	225.200	2.080	5	40	BEBB	
COc1cc([N+](=O)[O-])ccc1-n1cnc(C)c1	38540306	OTZCJYQGKVYWHJ-UHFFFAOYSA-N	233.227	2.098	5	40	BEBB	
CCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	37628653	PLPSPGNBNDLLTD-UHFFFAOYSA-N	219.200	2.207	5	40	BEBB	
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O	1604830	ACSMBGHECSLDPA-LURJTMIESA-N	227.241	2.160	5	40	BEBB	in-vitro
O=C(c1ccc([N+](=O)[O-])cc1)c1ccccn1	1564584	DKADZZGFYHQBFQ-UHFFFAOYSA-N	228.207	2.221	5	40	BEBB	
O=[N+]([O-])c1ccc(SCc2ccon2)nc1	96180982	WLBALFDKUKDQOP-UHFFFAOYSA-N	237.240	2.270	5	40	BEBB	
CCn1c([C@@H](C)O)nc2cc([N+](=O)[O-])ccc21	14988479	NDJGHNYIENKVSA-SSDOTTSWSA-N	235.243	2.018	5	40	BEBB	
Cn1cnc2c1CC[N+](C)(Cc1ccccc1)C2	553508	GCBXQWWPVQYOPQ-UHFFFAOYSA-N	242.346	2.123	5	40	BEBB	
O=[N+]([O-])c1ccc([C@H](O)C(F)(F)F)cc1F	1536100568	NGTNOBHYSZBVAP-ZETCQYMHSA-N	239.124	2.330	5	40	BEBB	
O=C(O)c1ccnc2c1ccc1cccnc12	85223914	VNUCJFRSRNCDFO-UHFFFAOYSA-N	224.219	2.481	5	40	BEBB	
CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(C)c1	284808	DZGWDTGQPGOIMJ-UHFFFAOYSA-N	236.271	2.385	5	40	BEBB	
O=[N+]([O-])c1ccc(NC2CC2)c([N+](=O)[O-])c1	4687608	UUSBBZCYYXEBJV-UHFFFAOYSA-N	223.188	2.077	5	40	BEBB	
CC(C)n1nc(Br)cc1[N+](=O)[O-]	953001630	SINUZLGBWJCIQL-UHFFFAOYSA-N	234.053	2.135	5	40	BEBB	
C[N+]1(C)CCc2c([nH]c3ccccc23)C1	1871564	QKEYUXZPUGSKTM-UHFFFAOYSA-N	201.293	2.300	5	40	BEBB	
C[C@@H](/C=C\c1ccc2c(c1)OCO2)[N+](=O)[O-]	17041114	CLPNZMJFDBSNRO-KZUAUGPASA-N	221.212	2.094	5	40	BEBB	
NCc1c([N+](=O)[O-])cccc1C(F)(F)F	169801791	LVWZWNUYHYOALX-UHFFFAOYSA-N	220.150	2.072	5	40	BEBB	
CCOc1c(Cl)cc(CO)cc1[N+](=O)[O-]	216942840	BLPYJZHXLOLTLU-UHFFFAOYSA-N	231.635	2.139	5	40	BEBB	
O=[N+]([O-])c1ccc(NC[C@@H]2CCCO2)c(F)c1	4255991	OMBAIUNBSJSENC-VIFPVBQESA-N	240.234	2.325	5	40	BEBB	
CN(Cc1ccco1)c1ncccc1[N+](=O)[O-]	45292424	MQROSLPFOBOYRE-UHFFFAOYSA-N	233.227	2.219	5	40	BEBB	
C[C@@H](Oc1cc([N+](=O)[O-])ccn1)C(F)(F)F	616567823	CVXYEHITOWTUGA-RXMQYKEDSA-N	236.149	2.319	5	40	BEBB	
Cc1ccc(-c2cc(N)on2)cc1[N+](=O)[O-]	20078632	MJRDZTHXUHBTAL-UHFFFAOYSA-N	219.200	2.140	5	40	BEBB	
CC[C@@H](CC(=O)c1ccccc1)[N+](=O)[O-]	22129821	YLQMBGMZWJYCSW-JTQLQIEISA-N	207.229	2.315	5	40	BEBB	
CN(C)c1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]	45886563	UPZARZVICMWEHY-UHFFFAOYSA-N	245.622	2.222	5	40	BEBB	
CC[C@@H](C(=O)O)c1c([N+](=O)[O-])ccc(F)c1F	299817055	BVEAADKBATYLCS-RXMQYKEDSA-N	245.181	2.451	5	40	BEBB	
O=[N+]([O-])c1ccc(Oc2ccc(CO)cc2)nc1	8701700	PCRWAOUYIABAAF-UHFFFAOYSA-N	246.222	2.274	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1-n1cccc1CO	223739140	CDFMIYVEDLPZKY-UHFFFAOYSA-N	232.239	2.186	5	40	BEBB	
CCC(=O)Oc1ccc(C)cc1[N+](=O)[O-]	1597222	CUVHKFJJISUFHC-UHFFFAOYSA-N	209.201	2.219	5	40	BEBB	
CN(CC1CC1)c1nc2ccccn2c1[N+](=O)[O-]	49236125	GKEGXHZKJNADCL-UHFFFAOYSA-N	246.270	2.089	5	40	BEBB	
CC(=O)Oc1c[nH]c2ccc([N+](=O)[O-])cc12	68590579	NLJSQUWGZQAZDM-UHFFFAOYSA-N	220.184	2.001	5	40	BEBB	
NC(=S)c1ccc(-c2cccc([N+](=O)[O-])c2)o1	49836104	ZDYYQOOAGFKAII-UHFFFAOYSA-N	248.263	2.489	5	40	BEBB	
Cc1n[nH]c(Sc2ccccc2[N+](=O)[O-])n1	70462233	BBBOELRMHPBEDF-UHFFFAOYSA-N	236.256	2.173	5	40	BEBB	
Cc1noc(-c2ccc([N+](=O)[O-])c(C)c2)n1	36379550	RYMTUWLKBTZRLL-UHFFFAOYSA-N	219.200	2.262	5	40	BEBB	in-vitro
C[C@H](CO)Sc1ccccc1[N+](=O)[O-]	76065133	FEAASECKMRGLMU-SSDOTTSWSA-N	213.258	2.068	5	40	BEBB	
O=C1CCCC[C@H]1[C@H](O)c1ccc([N+](=O)[O-])cc1	225049	LWDGESCTOIIBJJ-DGCLKSJQSA-N	249.266	2.388	5	40	BEBB	
Cc1c(N2CCCC2=O)cccc1[N+](=O)[O-]	38342432	PRDYBEUZEJYYAX-UHFFFAOYSA-N	220.228	2.030	5	40	BEBB	in-vitro
O=[N+]([O-])c1cccc(-c2ccncn2)c1	38873411	XRBSVBDYAUOOPW-UHFFFAOYSA-N	201.185	2.052	5	40	BEBB	
Nc1cccc2c1-c1ccc([N+](=O)[O-])cc1C2=O	1706444	NFEGOIWKDDYRMX-UHFFFAOYSA-N	240.218	2.388	5	40	BEBB	
Cc1cc2ncccc2c2nc([N+](=O)[O-])n(C)c12	2565949	XJRHRJQXADPVJG-UHFFFAOYSA-N	242.238	2.338	5	40	BEBB	in-vitro
Cc1oncc1C(=O)Nc1cccc([N+](=O)[O-])c1	12946101	KXPAHNHHCVICGF-UHFFFAOYSA-N	247.210	2.144	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(O)c(Br)c1F	95917787	MENHOWWFFRZGPA-UHFFFAOYSA-N	235.996	2.202	5	40	BEBB	
CNc1coc(-c2ccc([N+](=O)[O-])cc2)n1	199615999	AOMVFQXDWCLVIG-UHFFFAOYSA-N	219.200	2.292	5	40	BEBB	
Cc1c([N+](=O)[O-])c2cc([N+](=O)[O-])ccc2n1C	4983961	QJBITFYARKWWGM-UHFFFAOYSA-N	235.199	2.303	5	40	BEBB	
COc1c(N)cc(C(C)(C)C)cc1[N+](=O)[O-]	38363987	MYIOHRQACBBANT-UHFFFAOYSA-N	224.260	2.483	5	40	BEBB	
C[C@@H]1Oc2ccc([N+](=O)[O-])cc2O[C@@H](C)O1	345573	NQNONZOFJVHECQ-BQBZGAKWSA-N	225.200	2.075	5	40	BEBB	
Cc1[nH]c2ccc([N+](C)(C)C)cc2c1CCO	1598646	XVCDCXLZZRRSSU-UHFFFAOYSA-N	233.335	2.208	5	40	BEBB	
CCC(=O)c1cc([N+](=O)[O-])ccc1NC(C)=O	5022807	ACALEMQKQYTZOU-UHFFFAOYSA-N	236.227	2.146	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1[C@H](C)S(C)(=O)=O	97047744	VTCJFPLKWHPYMM-QMMMGPOBSA-N	243.284	2.009	5	40	BEBB	
Cc1cc(C(=O)NC(C)(C)C)ccc1[N+](=O)[O-]	284807	MGHRNLYCLGVMGJ-UHFFFAOYSA-N	236.271	2.432	5	40	BEBB	
CC(C)Nc1ccc([N+](=O)[O-])cc1C(=O)O	19844581	LYWIDGKTVMVONJ-UHFFFAOYSA-N	224.216	2.113	5	40	BEBB	
O=[N+]([O-])c1cccnc1N(CC(F)F)C1CC1	72281924	LXUCZBWLMXGWBY-UHFFFAOYSA-N	243.213	2.224	5	40	BEBB	
COC(=O)c1cccc(C(F)(F)F)c1[N+](=O)[O-]	169801725	JNFNRCFNNSXWEI-UHFFFAOYSA-N	249.144	2.400	5	40	BEBB	
CCc1c(O)nc2c([N+](=O)[O-])cccc2c1O	685937185	LNJZVFXHCCKTJG-UHFFFAOYSA-N	234.211	2.117	5	40	BEBB	
O=[N+]([O-])c1ccc(CNCc2ccccn2)cc1	58099400	VSADRGKJSWWKPX-UHFFFAOYSA-N	243.266	2.280	5	40	BEBB	
N[C@@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F	72194826	RXNATEYXVVXZPI-ZETCQYMHSA-N	220.150	2.157	5	40	BEBB	
COc1cc([N+](=O)[O-])c(C=O)c(Cl)c1OC	157282	ADCFAHQRUIOIOM-UHFFFAOYSA-N	245.618	2.078	5	40	BEBB	
Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)O	95829306	XUPVOPCJDHFNAW-UHFFFAOYSA-N	215.592	2.255	5	40	BEBB	in-vitro
Cc1ncc(Br)c(C)c1[N+](=O)[O-]	167100409	FEJYHXKMEDXPBE-UHFFFAOYSA-N	231.049	2.369	5	40	BEBB	
CCOC(=O)c1cc(C)c(C)cc1[N+](=O)[O-]	199566935	RJGFMGPWTRGLDZ-UHFFFAOYSA-N	223.228	2.388	5	40	BEBB	
CC[C@H](C(=O)O)c1c([N+](=O)[O-])ccc(F)c1F	299817056	BVEAADKBATYLCS-YFKPBYRVSA-N	245.181	2.451	5	40	BEBB	
CCNC(=S)OCc1cccc([N+](=O)[O-])c1	16681753	AJIPUPKEQMTQCI-UHFFFAOYSA-N	240.284	2.006	5	40	BEBB	
CCc1ccc(/C=C/C(=O)O)cc1[N+](=O)[O-]	83313365	QRUIAACMOBMXLK-GQCTYLIASA-N	221.212	2.255	5	40	BEBB	
COC(=O)CSc1cc(C)ccc1[N+](=O)[O-]	88698648	IPNCTDBEIVAYTQ-UHFFFAOYSA-N	241.268	2.168	5	40	BEBB	
COc1cc(N=O)c(N=O)cc1[N+](=O)[O-]	4722294	JSQUQKNRFLZNHX-UHFFFAOYSA-N	211.133	2.399	5	40	BEBB	
COc1ccc2c(c1)nc1ccccc1[n+]2[O-]	6018910	SBFRFRHUCOIAFO-UHFFFAOYSA-N	226.235	2.030	5	40	BEBB	
CC[N+](C)(CC)C[C@@H](O)c1ccccc1	6424788	JPLALEPWKJEDQD-CYBMUJFWSA-N	208.325	2.206	5	40	BEBB	
CC(C)(C)c1ncc([N+](=O)[O-])c(Cl)n1	34160611	WRWLLLIIGUUHCE-UHFFFAOYSA-N	215.640	2.336	5	40	BEBB	
CC/C(=C/c1ccc2c(c1)OCO2)[N+](=O)[O-]	1592090	LHWIZYOSZOQHOY-UITAMQMPSA-N	221.212	2.443	5	40	BEBB	
CN1[C@@H]2CCCC[C@@H]1[C@@H]1CC[C@@H]2[N+](C)(C)CC1	101042736	MIQFXIAZYJXPSD-TUVASFSCSA-N	237.411	2.488	5	40	BEBB	
Nc1ncc(-c2ccccc2)cc1[N+](=O)[O-]	21950613	NYPHZLFSKUPDMD-UHFFFAOYSA-N	215.212	2.239	5	40	BEBB	
Cn1c2ccccc2c(=O)c2c(O)cccc21	6523722	NHYDBJFGZCQFEO-UHFFFAOYSA-N	225.247	2.397	5	40	BEBB	endogenous,in-man
O=[N+]([O-])c1cc(C(F)(F)F)cnc1S	47212297	PDQMRIPRLZXDLU-UHFFFAOYSA-N	224.163	2.297	5	40	BEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccncc1	3897743	PVQRRDXIBBXIQN-UHFFFAOYSA-N	243.222	2.242	5	40	BEBB	
O=Cc1nc2ccc([N+](=O)[O-])cc2s1	45238212	CLBAHSMUCIURDP-UHFFFAOYSA-N	208.198	2.017	5	40	BEBB	
COC(=O)CCc1c[nH]c2ccc([N+](=O)[O-])cc12	1692164	RJLUTOGSOQFWFJ-UHFFFAOYSA-N	248.238	2.182	5	40	BEBB	
O=[N+]([O-])c1cccc(CNCc2ccncc2)c1	57362391	NITHLDVHAZLQDN-UHFFFAOYSA-N	243.266	2.280	5	40	BEBB	
COc1cccc2c(C)c([N+](=O)[O-])cnc12	256054527	WRQCTOARCYSBPU-UHFFFAOYSA-N	218.212	2.460	5	40	BEBB	
CC(C)COC(=O)c1ccc([N+](=O)[O-])cc1	80719	DCZWILGYHRWANR-UHFFFAOYSA-N	223.228	2.408	5	40	BEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccnc1	4677007	MAZXUHRZYOFMGU-UHFFFAOYSA-N	243.222	2.242	5	40	BEBB	
Nc1ccc2c(=O)c3ccc(N)cc3oc2c1	39239483	BIYCVSAOMJBWNN-UHFFFAOYSA-N	226.235	2.111	5	40	BEBB	
O=Cc1ccc2c([N+](=O)[O-])c(F)ccc2n1	85399738	QUSZCEVMDLYMIE-UHFFFAOYSA-N	220.159	2.095	5	40	BEBB	
CCc1c(O)nc2ccc([N+](=O)[O-])cc2c1O	685937320	OZWJYFFECBJPAV-UHFFFAOYSA-N	234.211	2.117	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)C(F)(F)F	353680	UODZESUIWJFIBH-UHFFFAOYSA-N	248.160	2.404	5	40	BEBB	
CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	4726887	NQWMXRNYYFMIIL-MRVPVSSYSA-N	222.244	2.123	5	40	BEBB	
O=C1CCc2cc3c(c([N+](=O)[O-])c21)CCC3	22065351	MKAURAAKBUQECD-UHFFFAOYSA-N	217.224	2.212	5	40	BEBB	in-vitro
C[C@@H](O)C(C)(C)Nc1ccc(F)cc1[N+](=O)[O-]	95447230	OWYAABVFQWDZGM-SSDOTTSWSA-N	242.250	2.305	5	40	BEBB	
CCNc1ccc(C(C)=O)cc1[N+](=O)[O-]	12526499	ZPDIWFZNPUKJQM-UHFFFAOYSA-N	208.217	2.229	5	40	BEBB	
CC(C)Oc1c(C=O)cc(F)cc1[N+](=O)[O-]	225271056	RNMYPIYSRLZVIR-UHFFFAOYSA-N	227.191	2.334	5	40	BEBB	
Cc1cccc(NC(=O)c2ccc([N+](=O)[O-])o2)n1	342230	VBXGZWUYNBXRNM-UHFFFAOYSA-N	247.210	2.144	5	40	BEBB	
CCCOc1ccc(C(=O)O)cc1[N+](=O)[O-]	21981748	NKACWRJUOBYVGP-UHFFFAOYSA-N	225.200	2.082	5	40	BEBB	
COC(=O)/C=C/c1cc(Cl)sc1[N+](=O)[O-]	17111241	PPCGVOWUCDRSQB-NSCUHMNNSA-N	247.659	2.496	5	40	BEBB	
CCCCOc1ccc(C(=O)O)cc1[N+](=O)[O-]	34592063	WMMDYUIWNRMKKM-UHFFFAOYSA-N	239.227	2.472	5	40	BEBB	
COc1ccc2[nH]c(C[N+](C)(C)C)cc2c1	1583569	FAURAULBLFYMHP-UHFFFAOYSA-N	219.308	2.383	5	40	BEBB	
CC[C@@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-]	6390942	GACKSXXLXANRQH-SECBINFHSA-N	236.271	2.432	5	40	BEBB	
O=[N+]([O-])c1ccc(NCCc2ccccn2)nc1	20031412	CVOWNXLYIOLUSR-UHFFFAOYSA-N	244.254	2.039	5	40	BEBB	
Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1C=O	1509469	QVMMXFNTUWSWHN-UHFFFAOYSA-N	229.619	2.383	5	40	BEBB	
CC[C@@](C)(O)CNc1ccc([N+](=O)[O-])c(C)c1	71899556	LKILXSMLTQTUFL-GFCCVEGCSA-N	238.287	2.476	5	40	BEBB	
O=[N+]([O-])c1ccccc1-n1cc(Cl)cn1	72334136	OCQGRMHQAWSOGW-UHFFFAOYSA-N	223.619	2.434	5	40	BEBB	
Cc1ccc2snc(C(=O)O)c2c1[N+](=O)[O-]	1725976	NYTBOQNWDRPFFU-UHFFFAOYSA-N	238.224	2.211	5	40	BEBB	
CC(C)NC(=O)c1ccc(Cl)cc1[N+](=O)[O-]	288729	FWPGOKYUKXPASZ-UHFFFAOYSA-N	242.662	2.386	5	40	BEBB	
COc1ccc(-c2ccc(CO)o2)c([N+](=O)[O-])c1	360901	ODXAXTCMRRXMTE-UHFFFAOYSA-N	249.222	2.356	5	40	BEBB	
CC1([N+](=O)[O-])COC(/C=C/c2ccccc2)OC1	1566650	VIYFVENSVVXDKK-BQYQJAHWSA-N	249.266	2.108	5	40	BEBB	
N=C(N)Sc1ccc([N+](=O)[O-])cc1Cl	16939499	TUFPHAVRIOCSHB-UHFFFAOYSA-N	231.664	2.234	5	40	BEBB	
COCCCNc1ccccc1[N+](=O)[O-]	36922732	YCYZYXRUQQUNLY-UHFFFAOYSA-N	210.233	2.043	5	40	BEBB	
CCN1C(=O)C(C)(C)c2cc([N+](=O)[O-])ccc21	57332104	DOVFKPPYNYONNX-UHFFFAOYSA-N	234.255	2.239	5	40	BEBB	
CN(C)CCc1c[nH]c2ccc([N+](=O)[O-])cc12	551708	WNAXXOOIDCPHIB-UHFFFAOYSA-N	233.271	2.180	5	40	BEBB	
C[C@@H](CO)CSc1ccccc1[N+](=O)[O-]	75148753	OATCAYJTTMZARO-QMMMGPOBSA-N	227.285	2.315	5	40	BEBB	
CCC(=O)c1cc([N+](=O)[O-])ccc1OC	96291508	NXQYUOVDIZGTKF-UHFFFAOYSA-N	209.201	2.196	5	40	BEBB	
C1CC[N+]2(CC1)CCC[N+]1(CCCC1)CC2	1646432	BCXBTTBKZHULME-UHFFFAOYSA-N	224.392	2.001	5	40	BEBB	
CCCc1ncc([N+](=O)[O-])cc1C(=O)OCC	20284100	RNTDYQLQCNZROW-UHFFFAOYSA-N	238.243	2.119	5	40	BEBB	
COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1C	39150531	OBEIQHRWPFVXDA-UHFFFAOYSA-N	229.619	2.343	5	40	BEBB	
O=[N+]([O-])c1cnc(Cl)nc1NC1CCCC1	4243384	WCBURNWVRFRXTK-UHFFFAOYSA-N	242.666	2.393	5	40	BEBB	
CN1C(=O)c2cccc3c([N+](=O)[O-])ccc1c23	4258143	YXFUMAKWWQNBCY-UHFFFAOYSA-N	228.207	2.338	5	40	BEBB	
CCCCNC(=O)c1cccc([N+](=O)[O-])c1C	5419831	RGQUJLIANCEGGJ-UHFFFAOYSA-N	236.271	2.433	5	40	BEBB	
O=[N+]([O-])c1cccc2cc3cccc[n+]3cc12	1713661	HLTJKAIEOGCOSB-UHFFFAOYSA-N	225.227	2.487	5	40	BEBB	
Cc1ccc(OCc2ccccn2)c([N+](=O)[O-])n1	9379294	QYLVTCORQJYJTH-UHFFFAOYSA-N	245.238	2.272	5	40	BEBB	
O=[N+]([O-])c1ccc(-c2ccnc(S)n2)cc1	20153829	NUDDNAROSYKUJL-UHFFFAOYSA-N	233.252	2.341	5	40	BEBB	
COc1cccc2nc3ccc(C)cc3[n+]([O-])c12	76494979	SYJBJEFTILZHNH-UHFFFAOYSA-N	240.262	2.338	5	40	BEBB	
O=C(O)Cc1ccc([N+](=O)[O-])c2ccccc12	2566057	ZQKCRZQJMZQAOY-UHFFFAOYSA-N	231.207	2.375	5	40	BEBB	in-vitro
O=[N+]([O-])c1c(Cl)ccnc1Br	98091092	VTXLBYHDDCVJOX-UHFFFAOYSA-N	237.440	2.406	5	40	BEBB	
Cc1ccc(C2=NC(C)(C)CO2)cc1[N+](=O)[O-]	178019	VEVSUBRJQDPOBA-UHFFFAOYSA-N	234.255	2.459	5	40	BEBB	
CNc1ccc(C(=O)OC(C)C)cc1[N+](=O)[O-]	16696483	BKDACOBYOVHMST-UHFFFAOYSA-N	238.243	2.202	5	40	BEBB	
O=C(O)/C=C/c1cc2cc([N+](=O)[O-])ccc2o1	32911318	JMNMWGHQIABWLM-DUXPYHPUSA-N	233.179	2.439	5	40	BEBB	
COc1cc(C=O)c(OC(C)C)c([N+](=O)[O-])c1	225273875	HVQRGYPOMUDPOB-UHFFFAOYSA-N	239.227	2.203	5	40	BEBB	
CSc1ccc([N+](=O)[O-])cc1C(=O)O	38063445	CYOCVNINXORWNY-UHFFFAOYSA-N	213.214	2.015	5	40	BEBB	
Cc1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1	42415180	GCDGOJTYGSVWQA-UHFFFAOYSA-N	203.201	2.293	5	40	BEBB	
COc1cc([N+](=O)[O-])c(C)cc1C(C)=O	1683801	YRHPQJLIPWEXJU-UHFFFAOYSA-N	209.201	2.114	5	40	BEBB	
CC(=O)Nc1c(C)cc(C)c([N+](=O)[O-])c1C	1441473	IEUCRMKQLNIHFZ-UHFFFAOYSA-N	222.244	2.478	5	40	BEBB	
CC(=O)Nc1cc(C)c(C)c([N+](=O)[O-])c1	14985821	GTLVZAMPWVMSGU-UHFFFAOYSA-N	208.217	2.170	5	40	BEBB	in-vitro
O=Cc1c(N2CCCC2)cccc1[N+](=O)[O-]	95081120	OAASBENWPCCJOU-UHFFFAOYSA-N	220.228	2.008	5	40	BEBB	
CCOCCSc1ccc([N+](=O)[O-])c(C)n1	95966051	GSNYHDHWDZGHKP-UHFFFAOYSA-N	242.300	2.427	5	40	BEBB	
CCOC(=N)c1cc([N+](=O)[O-])c(F)cc1F	228969690	XJGMCBBZWLPTMN-UHFFFAOYSA-N	230.170	2.235	5	40	BEBB	
COc1cc2c(cc1OC)C[N+](C)(C)[C@H](C)C2	1665755	NSELGBXODFVKAI-SNVBAGLBSA-N	236.335	2.225	5	40	BEBB	
O=[N+]([O-])c1ccc(C2OCC=CCO2)cc1	4825631	KXCNHOYLPYRFPT-UHFFFAOYSA-N	221.212	2.196	5	40	BEBB	
Nc1cc(Cl)c([N+](=O)[O-])c(Cl)c1	4013164	FKDUHJWERVIMAL-UHFFFAOYSA-N	207.016	2.484	5	40	BEBB	in-vitro
Cc1cccc(NCCn2ccnc2)c1[N+](=O)[O-]	195572311	PWAWJLWAWKFYMY-UHFFFAOYSA-N	246.270	2.212	5	40	BEBB	
Cc1ccc(Oc2c([N+](=O)[O-])ncn2C)cc1	8308581	AJKBZXMZGMLSBC-UHFFFAOYSA-N	233.227	2.429	5	40	BEBB	
CC(C)Cn1nc([N+](=O)[O-])cc1Br	953000025	LPCXCFHUXPJYAI-UHFFFAOYSA-N	248.080	2.210	5	40	BEBB	
O=C(O)c1cc([N+](=O)[O-])c(O)c2ccccc12	1593850	OOEYTWUOZZLXNQ-UHFFFAOYSA-N	233.179	2.152	5	40	BEBB	
COC(=O)c1ccc(C[N+]2(C)CCCCC2)o1	331442	BLPUDFIKQNFNEI-UHFFFAOYSA-N	238.307	2.197	5	40	BEBB	
O=[N+]([O-])c1ccccc1N[C@@H]1C[C@@H]2CC[C@H](C1)N2	103591293	REXWRVZQFBMWSS-URLYPYJESA-N	247.298	2.290	5	40	BEBB	
CCN(N=O)c1ccc([N+](=O)[O-])cc1F	35323900	FXGMCRJPZFBQIK-UHFFFAOYSA-N	213.168	2.242	5	40	BEBB	
O=[N+]([O-])c1ccc(C(F)(F)F)c(O)c1	91366454	MAYPOULSOMISHH-UHFFFAOYSA-N	207.107	2.319	5	40	BEBB	in-vitro
Cc1c([N+](=O)[O-])ccc2sc(N)nc12	20154416	FDGPIVWUHHBFMR-UHFFFAOYSA-N	209.230	2.095	5	40	BEBB	
C[N+](C)(C)CCC[N+]1(C)C[C@@H]2CC=CC[C@H]2C1	1677242	WPNNLSNDLFUPAX-GJZGRUSLSA-N	238.419	2.125	5	40	BEBB	
Nc1[nH]nc(CCC2CCCCC2)c1[N+](=O)[O-]	96527764	GVVDEMPSDUPUFA-UHFFFAOYSA-N	238.291	2.413	5	40	BEBB	
Cc1ccc(OCc2cc(C)on2)c([N+](=O)[O-])n1	5702277	WGISYAHKTRTRMW-UHFFFAOYSA-N	249.226	2.174	5	40	BEBB	
O=[N+]([O-])c1ccc(CCOCc2ncc[nH]2)cc1	95990976	WQJSRMVKXLQICF-UHFFFAOYSA-N	247.254	2.077	5	40	BEBB	
CC[C@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]	6603681	YEZILAHNFXTIFO-VIFPVBQESA-N	236.271	2.052	5	40	BEBB	
Cc1noc(COc2cccc([N+](=O)[O-])c2C)n1	47355396	CFYRKXOTFZNQQJ-UHFFFAOYSA-N	249.226	2.174	5	40	BEBB	
CN(C)[C@H]1[C@H]2CC[C@@](C)([C@H]1[N+](C)(C)C)C2(C)C	245239292	HHDIWALGULTOCF-OSFYFWSMSA-N	239.427	2.448	5	40	BEBB	
Cc1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-]	26508312	STKVPMWGJYNHPT-UHFFFAOYSA-N	215.592	2.255	5	40	BEBB	in-vitro
O=[N+]([O-])c1cccc(F)c1OC[C@H]1CCCO1	67800687	DSLODFITPQPLPU-MRVPVSSYSA-N	241.218	2.292	5	40	BEBB	
Cc1nc(-c2ccc([N+](=O)[O-])c(C)c2)no1	16970305	DKFXECLFGXVICM-UHFFFAOYSA-N	219.200	2.262	5	40	BEBB	
Cn1cc([N+](=O)[O-])c(NC2CCCCC2)n1	95098557	SNAWHIKBDZMGSK-UHFFFAOYSA-N	224.264	2.073	5	40	BEBB	
CC(C)C(=O)N1CCc2ccc([N+](=O)[O-])cc2C1	35588019	RIIMFWUBWCLODS-UHFFFAOYSA-N	248.282	2.136	5	40	BEBB	
C[N+]12CCC(CC1)[C@@H](C(=O)c1cccs1)C2	204023	MJQXIFHBVJHGQY-CVZZAPKMSA-N	236.360	2.417	5	40	BEBB	
O=[N+]([O-])[C@@H]1[C@@H](c2ccco2)[C@H]2C=C[C@H]1C2	104282235	GJUPVGNLPWPQKP-HLFFCZDVSA-N	205.213	2.214	5	40	BEBB	
COc1ccc2ncc([N+](=O)[O-])c(C)c2c1	32252685	OUYQQCMBQZZQTC-UHFFFAOYSA-N	218.212	2.460	5	40	BEBB	
CC1(c2ccc(Cl)c([N+](=O)[O-])c2)OCCO1	1388712	STOSVCNJZZTMNN-UHFFFAOYSA-N	243.646	2.468	5	40	BEBB	
O=[N+]([O-])c1cnc(NCCc2ccccc2)nc1	40454424	RAEQJWGZSJEIJD-UHFFFAOYSA-N	244.254	2.039	5	40	BEBB	
C[C@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CC1	71799873	PDEJYRXQSOIYTM-QMMMGPOBSA-N	246.266	2.282	5	40	BEBB	
CNC(=S)Nc1ccc([N+](=O)[O-])cc1Cl	5879388	NQZAUNYRUFCGGD-UHFFFAOYSA-N	245.691	2.164	5	40	BEBB	
CCCOc1c(C(=O)O)cc(F)cc1[N+](=O)[O-]	225278483	IKEPGWZAFQOGIO-UHFFFAOYSA-N	243.190	2.221	5	40	BEBB	
O=C(O)c1nc2ccccc2c2ncccc12	65142	CZTCXHGJESMLCB-UHFFFAOYSA-N	224.219	2.481	5	40	BEBB	in-vitro
O=[N+]([O-])c1cc(Cl)cc([N+](=O)[O-])c1	2013356	GFJKASVFAWFUNI-UHFFFAOYSA-N	202.553	2.156	5	40	BEBB	in-vitro
CN(C)[C@H]1[C@H]2CC[C@@](C)([C@@H]1[N+](C)(C)C)C2(C)C	13404881	HHDIWALGULTOCF-COMQUAJESA-N	239.427	2.448	5	40	BEBB	
O=[N+]([O-])c1cccc2c(Cl)ncnc12	21987233	YNIKQCKETYIRTH-UHFFFAOYSA-N	209.592	2.191	5	40	BEBB	
O=Cc1ccc(-c2ccc(O)c([N+](=O)[O-])c2)o1	32256529	ZDEXCJDRCDYNDC-UHFFFAOYSA-N	233.179	2.373	5	40	BEBB	
COC(=O)c1c(C)cc(C)c([N+](=O)[O-])c1C	35333469	QZDCQHUTGCJJJT-UHFFFAOYSA-N	223.228	2.307	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(C(F)F)c([N+](=O)[O-])c1	1857793675	DPUPDCWUGMLKLN-UHFFFAOYSA-N	218.115	2.441	5	40	BEBB	
O=[N+]([O-])c1ccc(CNCc2ccncc2)cc1	57362374	CFDKNXFFLISOFD-UHFFFAOYSA-N	243.266	2.280	5	40	BEBB	
O=[N+]([O-])[C@@H]1[C@@H](c2ccco2)[C@@H]2C=C[C@H]1C2	17194812	GJUPVGNLPWPQKP-MKHNBGRSSA-N	205.213	2.214	5	40	BEBB	
O=C1CCCC[C@@H]1[C@H](C[N+](=O)[O-])C(F)(F)F	43464399	OIKQDKNGGZIECX-RQJHMYQMSA-N	239.193	2.201	5	40	BEBB	
O=[N+]([O-])c1ccn(Cc2cc(F)ccc2F)n1	67799316	CHIWXJSXHPJQHZ-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
CCc1cccc2c(O)c([N+](=O)[O-])cnc12	256051940	LEMIOSSDGWDGEA-UHFFFAOYSA-N	218.212	2.411	5	40	BEBB	
Cc1ccc(O)c(Br)c1[N+](=O)[O-]	307326372	HNGHXWWKEPQTME-UHFFFAOYSA-N	232.033	2.371	5	40	BEBB	
COc1cc(O)c([N+](=O)[O-])cc1C(F)(F)F	2540357	CQYPDXUWXKXLSD-UHFFFAOYSA-N	237.133	2.328	5	40	BEBB	
C[C@H]1Sc2cc([N+](=O)[O-])ccc2NC1=O	95644353	XQHCKOUSAZSTBR-RXMQYKEDSA-N	224.241	2.028	5	40	BEBB	
O=[N+]([O-])C1(Br)CCCCC1	39269529	JXRGVYLCDXJWLY-UHFFFAOYSA-N	208.055	2.318	5	40	BEBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1-n1cnnc1	70461692	APSPVCBWJIPMEI-UHFFFAOYSA-N	238.634	2.137	5	40	BEBB	
CC/C(=C\c1ccc2c(c1)OCO2)[N+](=O)[O-]	8581134	LHWIZYOSZOQHOY-WEVVVXLNSA-N	221.212	2.443	5	40	BEBB	
CCCN(CC(F)F)c1ncccc1[N+](=O)[O-]	71904152	YDSCISUOYJHRIF-UHFFFAOYSA-N	245.229	2.471	5	40	BEBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc2[nH]ncc12	89196486	UHMQLMVVZOTFDR-UHFFFAOYSA-N	231.133	2.490	5	40	BEBB	in-vitro
CC1=N[C@@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	2045145	PYJODOKGZLMNFM-VIFPVBQESA-N	221.172	2.019	5	40	BEBB	
O=[N+]([O-])c1ccc(Cl)cc1-n1ccnc1	10231816	STRGYAXBWTXYMH-UHFFFAOYSA-N	223.619	2.434	5	40	BEBB	
COC(=O)c1cc(C)c(C)c([N+](=O)[O-])c1OC	57340072	UAFHDILHQDPWPJ-UHFFFAOYSA-N	239.227	2.007	5	40	BEBB	
Cc1cc(C)n(C(=O)c2ccc([N+](=O)[O-])cc2)n1	347749	SCOLLBLQKBYOMH-UHFFFAOYSA-N	245.238	2.097	5	40	BEBB	
O=C(O)CCc1ccc2ncccc2c1[N+](=O)[O-]	217768005	OZVZVGXNMMRCJB-UHFFFAOYSA-N	246.222	2.160	5	40	BEBB	
Cc1ccc(NC(=O)C(F)(F)F)c([N+](=O)[O-])c1	5362823	SGPCXNPVZXKKKA-UHFFFAOYSA-N	248.160	2.404	5	40	BEBB	
CC[C@@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O	40452083	GXXVOCAHIFODMZ-VIFPVBQESA-N	223.228	2.248	5	40	BEBB	in-vitro
C[N+]1(CC[N+]2(C)CCCCC2)CCCCC1	53407	AIWZCTOUXBMFJL-UHFFFAOYSA-N	226.408	2.247	5	40	BEBB	
CC(=O)Cc1c([N+](=O)[O-])ccc(F)c1F	21297579	ICTSDDZTPXZWEM-UHFFFAOYSA-N	215.155	2.005	5	40	BEBB	in-vitro
C[N+]1([C@H]2CC[C@@H]3CCC[C@H]2C3=O)CCCC1	1323377	BTKLEOOUQVGGOK-XQQFMLRXSA-N	222.352	2.375	5	40	BEBB	
O=[N+]([O-])c1ccccc1N[C@H]1CC[C@H](O)CC1	100009495	GQGDKTBKAXHVCD-AOOOYVTPSA-N	236.271	2.310	5	40	BEBB	
O=Cc1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1	20369767	TVMUCTSEFLEMIS-UHFFFAOYSA-N	249.144	2.348	5	40	BEBB	
COc1c([N+](=O)[O-])cc(F)c(F)c1F	36377935	NMXBMNBZVROVPB-UHFFFAOYSA-N	207.107	2.021	5	40	BEBB	in-vitro
Cc1ccc(OC[C@@H]2CCOC2)cc1[N+](=O)[O-]	95438577	DGEUHRQGHZMOOJ-SNVBAGLBSA-N	237.255	2.319	5	40	BEBB	
Cc1cnc(C=O)c2cccc([N+](=O)[O-])c12	1564122	QZPMIMWEGMCUPZ-UHFFFAOYSA-N	216.196	2.264	5	40	BEBB	
CC(=O)Nc1c(Cl)cccc1[N+](=O)[O-]	4127897	JTQSYXLBUQIHLM-UHFFFAOYSA-N	214.608	2.207	5	40	BEBB	
CCOC(=O)Nc1ccc([N+](=O)[O-])c(C)c1	5257012	APAKUCURVKYOKV-UHFFFAOYSA-N	224.216	2.472	5	40	BEBB	
COC[C@@H](C)Nc1ccccc1[N+](=O)[O-]	21802802	GHXNCUSBUCBOBU-MRVPVSSYSA-N	210.233	2.042	5	40	BEBB	
O=Cc1ccc(-c2cc([N+](=O)[O-])ccc2O)o1	36047437	RYJGFPXYCFGNRD-UHFFFAOYSA-N	233.179	2.373	5	40	BEBB	
COc1c(OC(F)F)ccc(C=O)c1[N+](=O)[O-]	38342435	JTLBNEDECXLTEJ-UHFFFAOYSA-N	247.153	2.017	5	40	BEBB	in-vitro
CNc1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	45221396	SILPQUPNVFKNRQ-UHFFFAOYSA-N	231.595	2.198	5	40	BEBB	
O=C(O)c1c([N+](=O)[O-])ccc2ccccc12	71256813	OKTCWIPWLOOKDD-UHFFFAOYSA-N	217.180	2.446	5	40	BEBB	
Cc1nn(C)cc1CNc1ccccc1[N+](=O)[O-]	95983230	RBBZRBGTMCMXNE-UHFFFAOYSA-N	246.270	2.249	5	40	BEBB	
CCc1nc(COc2ccc([N+](=O)[O-])cc2)no1	59962035	GWOZPQAHSRKOQL-UHFFFAOYSA-N	249.226	2.119	5	40	BEBB	
O=[N+]([O-])c1c[nH]c2ncc(Cl)c(F)c12	95937018	YPMLOIUVRSZLKG-UHFFFAOYSA-N	215.571	2.264	5	40	BEBB	
O=[N+]([O-])c1cccc2c1ccc1nonc12	1578487	TWVORRCDGHPEMW-UHFFFAOYSA-N	215.168	2.284	5	40	BEBB	
Nc1cccc2cc3ccccc3[n+]([O-])c12	5011166	YQOOHKCFWHYYTO-UHFFFAOYSA-N	210.236	2.209	5	40	BEBB	
CNc1cc(N(C)C)c(Cl)cc1[N+](=O)[O-]	45221430	VQMJHDOZWAETAK-UHFFFAOYSA-N	229.667	2.356	5	40	BEBB	
O=[N+]([O-])c1cccnc1SC1=NCCS1	13575451	NAUPTBXJDJTOQE-UHFFFAOYSA-N	241.297	2.185	5	40	BEBB	
COC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1	21516726	CGKXVRSFGQJDNK-MRVPVSSYSA-N	210.233	2.042	5	40	BEBB	
O=[N+]([O-])c1cnc2cc(-c3ccccc3)nn2c1	40216522	VYIMEGRVPYLOTH-UHFFFAOYSA-N	240.222	2.305	5	40	BEBB	
Cn1c(/C=C\[N+](=O)[O-])cc2ccccc21	8628912	MFIKGARNCHFDPV-SREVYHEPSA-N	202.213	2.426	5	40	BEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)c1ccccn1	171062	WNDWNUYOTUEXJO-UHFFFAOYSA-N	243.222	2.242	5	40	BEBB	
O=[N+]([O-])c1cc2c([N+](=O)[O-])cccc2o1	5665041	MOECQHRJENTFOF-UHFFFAOYSA-N	208.129	2.249	5	40	BEBB	
O=[N+]([O-])c1cccc(C2=CSC3=NCCN23)c1	121991	MZIINQNKSWEAAD-UHFFFAOYSA-N	247.279	2.312	5	40	BEBB	
O=[N+]([O-])/C=C/c1ccc2c(c1)CCCO2	4159508	CNSMZWUDRMEYQP-AATRIKPKSA-N	205.213	2.259	5	40	BEBB	
COc1c([N+](=O)[O-])c(C)nn1-c1ccccc1	5378181	WMFBBQFNGIQKLZ-UHFFFAOYSA-N	233.227	2.098	5	40	BEBB	
Nc1ncc(-c2ccc(F)cc2)cc1[N+](=O)[O-]	43828037	DLDWBFHDHCJSCS-UHFFFAOYSA-N	233.202	2.378	5	40	BEBB	
O=C(O)c1cnc2ccc3ncccc3c2c1O	218259237	KMFCKNDLUGZEEU-UHFFFAOYSA-N	240.218	2.187	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1Cl)NCCO2	40564749	PHOQKCIJSNYPRZ-UHFFFAOYSA-N	214.608	2.053	5	40	BEBB	
NCc1cccc2nc3ccccc3nc12	85391093	CTZUHYNSCPOOTM-UHFFFAOYSA-N	209.252	2.242	5	40	BEBB	
CC[C@H](CC(=O)c1ccccc1)[N+](=O)[O-]	22129822	YLQMBGMZWJYCSW-SNVBAGLBSA-N	207.229	2.315	5	40	BEBB	
COc1c(C(=O)O)cc(C(C)C)cc1[N+](=O)[O-]	57339087	ZELNYSXAZKXXRJ-UHFFFAOYSA-N	239.227	2.425	5	40	BEBB	
O=[N+]([O-])c1cnc(Cl)cc1Br	67171993	DVBAUHSXNQFCQQ-UHFFFAOYSA-N	237.440	2.406	5	40	BEBB	in-vitro
CCOCCSc1cc(C)c([N+](=O)[O-])cn1	74769061	AXAYZPJZOJTSQV-UHFFFAOYSA-N	242.300	2.427	5	40	BEBB	
Cc1ccc2cc3c(nc2c1[N+](=O)[O-])OCC3	212856095	RBJRPRYDEVKRNN-UHFFFAOYSA-N	230.223	2.386	5	40	BEBB	
Cc1c(Br)cnc(F)c1[N+](=O)[O-]	38575736	MFVSNKTYKMIQSV-UHFFFAOYSA-N	235.012	2.200	5	40	BEBB	
CCCNC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990334	LQTRIFNYUAJCSO-UHFFFAOYSA-N	248.282	2.153	5	40	BEBB	
C[N+]1(C)[C@@H]2COC[C@H]1C=C(c1ccccc1)C2	1711491	QRSJXOCIDOERRB-CABCVRRESA-N	230.331	2.318	5	40	BEBB	
Cc1ccc(Br)c([N+](=O)[O-])n1	83428752	YPLZSMVVNLHUFX-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
O=[N+]([O-])c1ccc2[nH]c(C3CC3)nc2c1	9338057	QKWXLTTXVGJHOZ-UHFFFAOYSA-N	203.201	2.349	5	40	BEBB	in-vitro
O=[N+]([O-])c1cnn(CCCOc2ccccc2)c1	71792034	PKWQNZJNOCTYLV-UHFFFAOYSA-N	247.254	2.260	5	40	BEBB	
O=C(O)c1[nH]ccc1-c1cccc([N+](=O)[O-])c1	1772715081	SNRKSNSJGAINIW-UHFFFAOYSA-N	232.195	2.288	5	40	BEBB	
O=[N+]([O-])c1ccc(OC[C@@H]2CO2)c(Cl)c1	22222053	QVEGEDSWHHPLLK-ZETCQYMHSA-N	229.619	2.026	5	40	BEBB	
O=Cc1ccnc2c([N+](=O)[O-])c(F)ccc12	85399982	RHBMETOXXMEOAX-UHFFFAOYSA-N	220.159	2.095	5	40	BEBB	
CCOc1cc(Cl)cnc1[N+](=O)[O-]	169804013	JUZIIFZZDHHMOZ-UHFFFAOYSA-N	202.597	2.042	5	40	BEBB	
CCOc1cc(Cl)c(N)c([N+](=O)[O-])c1	216732689	ZFDNLGCGIFPFDG-UHFFFAOYSA-N	216.624	2.229	5	40	BEBB	
COc1ccnc2c([N+](=O)[O-])cccc12	88613859	FVNHDPDHZDTVHL-UHFFFAOYSA-N	204.185	2.152	5	40	BEBB	
CCOC(=O)c1cccc([N+](=O)[O-])c1Cl	95627762	RFKXQGCBYQQWNX-UHFFFAOYSA-N	229.619	2.425	5	40	BEBB	
O=[N+]([O-])c1ccn(Cc2cc(F)cc(F)c2)n1	71978622	PARZBTQBGWLUKQ-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
O=[N+]([O-])c1cccc2ncc(Cl)nc12	255189641	RFPLLQFUOAJFER-UHFFFAOYSA-N	209.592	2.191	5	40	BEBB	
CC(C)CC(=O)Nc1ncc([N+](=O)[O-])s1	4524505	BWLCCIHERVQBCS-UHFFFAOYSA-N	229.261	2.036	5	40	BEBB	
Cc1n[nH]c(Nc2ccc(O)cc2)c1[N+](=O)[O-]	13151580	IYSPKIUHANEXPL-UHFFFAOYSA-N	234.215	2.076	5	40	BEBB	
O=[N+]([O-])c1ccc(N[C@@H]2CCCSC2)cn1	89794281	BNJRCYQCYRXUHB-SECBINFHSA-N	239.300	2.297	5	40	BEBB	
O=[N+]([O-])c1cc(O)ccc1OC(F)(F)F	169800320	QVQQUCRYHKFYOS-UHFFFAOYSA-N	223.106	2.199	5	40	BEBB	
CCOC(=O)C[C@@]1(C[N+](=O)[O-])CC[C@H](C)C1	95347580	RWQOCDVVKSXCMT-GXSJLCMTSA-N	229.276	2.023	5	40	BEBB	in-vitro
Cc1onc(-c2ccccc2[N+](=O)[O-])c1C(=O)O	223179599	HWQOLMPXSSJXJG-UHFFFAOYSA-N	248.194	2.256	5	40	BEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC1	4905050	DYPLLAYJXQQUMP-UHFFFAOYSA-N	220.228	2.333	5	40	BEBB	
CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	5468520	RRNLAXAPPRFCFQ-VOTSOKGWSA-N	234.255	2.134	5	40	BEBB	
O=C1CC(=O)CC(c2ccc([N+](=O)[O-])cc2)C1	32220584	LQMGHIOOSOQCQA-UHFFFAOYSA-N	233.223	2.001	5	40	BEBB	
CS[C@@H](C)CNc1ncc([N+](=O)[O-])cc1C	92687799	HFSCIFKJWUSBDM-QMMMGPOBSA-N	241.316	2.462	5	40	BEBB	
CC1(C)CC(=O)c2cc([N+](=O)[O-])ccc21	98210258	QPCPKZFKKMWXQT-UHFFFAOYSA-N	205.213	2.459	5	40	BEBB	in-vitro
CC(C)Oc1c(C(=O)O)cccc1[N+](=O)[O-]	1669869	IVVRRWKNAJCNEZ-UHFFFAOYSA-N	225.200	2.080	5	40	BEBB	in-vitro
O=[N+]([O-])c1c(NCC2CC2)nc2ccccn12	42649521	SOTNQOAWMLPPJX-UHFFFAOYSA-N	232.243	2.064	5	40	BEBB	
CCOc1ccc2ncc([N+](=O)[O-])c(O)c2c1	256054912	YIHJWPNNTMAJBI-UHFFFAOYSA-N	234.211	2.247	5	40	BEBB	
CC(=O)Nc1ccc2ncccc2c1[N+](=O)[O-]	4823768	SDBBVCQCFXVOFM-UHFFFAOYSA-N	231.211	2.101	5	40	BEBB	
Cc1nn(C)cc1COc1ccccc1[N+](=O)[O-]	12396588	TUSGNQVHXSUVTH-UHFFFAOYSA-N	247.254	2.216	5	40	BEBB	
Cc1cc([N+](=O)[O-])c(-n2cnnc2)cc1Cl	70461696	GUSBFKXGNCBWNV-UHFFFAOYSA-N	238.634	2.137	5	40	BEBB	
O=[N+]([O-])c1c(Cl)ncnc1C(F)(F)F	257197905	MXGSUPBMEMUOQA-UHFFFAOYSA-N	227.529	2.057	5	40	BEBB	
O=[N+]([O-])c1cn(Cc2ccccc2Cl)cn1	12741506	JNQBOJIBEUCOEH-UHFFFAOYSA-N	237.646	2.493	5	40	BEBB	
C[C@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1	22797024	NBGYDISBOSWHNO-AOOOYVTPSA-N	235.287	2.472	5	40	BEBB	
CCCOC(=O)c1ccc([N+](=O)[O-])cc1	1599504	KXUOYHZSTGGNCK-UHFFFAOYSA-N	209.201	2.162	5	40	BEBB	
O=[N+]([O-])c1ccc([C@@H](O)C(F)(F)F)s1	96528086	VQJMHGWKRVZCOM-RXMQYKEDSA-N	227.163	2.252	5	40	BEBB	
CCc1c(/C=C/C(=O)O)cccc1[N+](=O)[O-]	156643	LEDXKSAYLISKRD-VOTSOKGWSA-N	221.212	2.255	5	40	BEBB	
CCc1c(C)[nH]c2cccc([N+](=O)[O-])c2c1=O	685938239	MRJOPRMSAVDJKS-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
O=[N+]([O-])c1sc2ccccc2c1NCCO	4498009	KGSRRDNSBNJPPL-UHFFFAOYSA-N	238.268	2.214	5	40	BEBB	
O=C(O)/C=C/c1cc(Cl)cc([N+](=O)[O-])c1	83324719	MKCLFRJGHQDKCU-OWOJBTEDSA-N	227.603	2.346	5	40	BEBB	
C[C@@H](CO)SCc1ccccc1[N+](=O)[O-]	96430352	MGASFQSPROSTNK-QMMMGPOBSA-N	227.285	2.209	5	40	BEBB	
OCCOc1ccc2nc3ccccc3nc2c1	85392862	HFUAIOQFRZPFGJ-UHFFFAOYSA-N	240.262	2.154	5	40	BEBB	
O=[N+]([O-])c1ccc([C@H](O)C(F)(F)F)s1	96528084	VQJMHGWKRVZCOM-YFKPBYRVSA-N	227.163	2.252	5	40	BEBB	
CC[N+]1(CN2CCCCC2)CCCCC1	19319633	OBXPHAMTVXWVDG-UHFFFAOYSA-N	211.373	2.450	5	40	BEBB	
CSc1sc2cc([N+](=O)[O-])ccc2[n+]1C	1713671	XTRYHSYUXTZKOS-UHFFFAOYSA-N	241.317	2.356	5	40	BEBB	
CN(Cc1ccco1)c1ccc([N+](=O)[O-])cn1	22806351	ZGEJTFYNVRBMJJ-UHFFFAOYSA-N	233.227	2.219	5	40	BEBB	
CC1CCN(C(=O)c2ccc([N+](=O)[O-])o2)CC1	38972	YDTIAOOOKXQRIW-UHFFFAOYSA-N	238.243	2.060	5	40	BEBB	
C[N+]1(C[C@H]2COC3(CCCC3)O2)CCCCC1	185912	WGDWTWWFCVPYJK-ZDUSSCGKSA-N	240.367	2.303	5	40	BEBB	
O=C(Nc1ccccc1O)c1ccc([N+](=O)[O-])o1	368762	OTRRIVGGYCGGQO-UHFFFAOYSA-N	248.194	2.146	5	40	BEBB	
O=c1c2ccccc2[nH]c2cccc(O)c12	14442539	YZTFXTYKRHQLIU-UHFFFAOYSA-N	211.220	2.387	5	40	BEBB	biogenic
O=C(Nc1ccccc1[N+](=O)[O-])c1ccccn1	33948082	VXQKWRRUKJXIBH-UHFFFAOYSA-N	243.222	2.242	5	40	BEBB	
CC/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)O	5226999	QMUHBYNLXQHZNR-RMKNXTFCSA-N	221.212	2.473	5	40	BEBB	in-vitro
O=c1c2ccccc2[nH]c2nc3ccccc3n12	100968834	ZNJPVCCDFJKUBS-UHFFFAOYSA-N	235.246	2.329	5	40	BEBB	
CCOC(=O)/C(F)=C\c1cccc([N+](=O)[O-])c1	8653343	FIHNPBNQWYGKLT-JXMROGBWSA-N	239.202	2.468	5	40	BEBB	
NNc1cc(Cl)c(Cl)cc1[N+](=O)[O-]	12428248	DMYVUIAJZAMOOU-UHFFFAOYSA-N	222.031	2.187	5	40	BEBB	
CCOP(=O)(OCC)[C@@H](CC)[N+](=O)[O-]	1676192	UCVFMTDYGKKVPT-ZETCQYMHSA-N	225.181	2.265	5	40	BEBB	
Cc1cc(C)n([C@H](C[N+](=O)[O-])c2ccccc2)n1	4275510	YPOXKJXJKIWPRT-CYBMUJFWSA-N	245.282	2.366	5	40	BEBB	
COCCCNc1ccc(F)cc1[N+](=O)[O-]	67800476	NURFPKSLGBCWOM-UHFFFAOYSA-N	228.223	2.182	5	40	BEBB	
O=[N+]([O-])c1cccc([S@](=O)C(F)(F)F)c1	5428873	KKPDXRFCVNYZMS-OAHLLOKOSA-N	239.174	2.222	5	40	BEBB	
COc1ccc(NC(=O)C(C)C)c([N+](=O)[O-])c1	4576909	JGXJWAMXSXBXPN-UHFFFAOYSA-N	238.243	2.198	5	40	BEBB	
CCOC(=O)Cc1ccc([N+](=O)[O-])cc1Cl	309149957	GMTJFYKHNWINGR-UHFFFAOYSA-N	243.646	2.354	5	40	BEBB	
O=C(O)C[C@H](C[N+](=O)[O-])c1cccc(Cl)c1	57534363	NHZKBFOIJRABMU-MRVPVSSYSA-N	243.646	2.175	5	40	BEBB	
O=[N+]([O-])c1c(F)cccc1N1CCCC1	48567872	MRRZTMRYKHWRSO-UHFFFAOYSA-N	210.208	2.334	5	40	BEBB	
Cc1ccc(Oc2ncccn2)cc1[N+](=O)[O-]	95974618	AIXVWIMAKAKWJH-UHFFFAOYSA-N	231.211	2.486	5	40	BEBB	
CC(C)OCc1ccc([N+](=O)[O-])cc1C(=O)O	72209185	JSPFMNHVDQGFRL-UHFFFAOYSA-N	239.227	2.218	5	40	BEBB	
CNCCCCc1ccc([N+](=O)[O-])cc1	1577515	FRVZCZYXLQHACW-UHFFFAOYSA-N	208.261	2.137	5	40	BEBB	
O=C(c1ccncc1)c1cccc([N+](=O)[O-])c1	4619629	NRWQXMJAOUMLEO-UHFFFAOYSA-N	228.207	2.221	5	40	BEBB	biogenic,in-vitro
NCCNc1cccc2nc3ccccc3nc12	85390732	GTFIISMSILKJCZ-UHFFFAOYSA-N	238.294	2.154	5	40	BEBB	
COc1cc(/C=C/[N+](=O)[O-])cc(Cl)c1O	2519264	WIUFCJKKYQZFGF-NSCUHMNNSA-N	229.619	2.302	5	40	BEBB	
CCOc1c(C)cc([N+](=O)[O-])cc1C(=O)O	225279434	CCAFAHUOJNPOLM-UHFFFAOYSA-N	225.200	2.000	5	40	BEBB	
C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)O1	13468531	ZZBYVKYAISMKDR-AOOOYVTPSA-N	236.271	2.208	5	40	BEBB	
CCC(=O)Nc1cc([N+](=O)[O-])ccc1C	297852	ZZYUACZQNLQTQG-UHFFFAOYSA-N	208.217	2.252	5	40	BEBB	
Cc1nn(CCC(F)(F)F)cc1[N+](=O)[O-]	272353949	LMQWILZFURUBMI-UHFFFAOYSA-N	223.154	2.052	5	40	BEBB	
C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)O	58161862	QXAVVKIRERZGIL-SSDOTTSWSA-N	242.250	2.305	5	40	BEBB	
CCOC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12	1569584	OOSFWGPHDJFGEM-UHFFFAOYSA-N	234.211	2.253	5	40	BEBB	
CC(C)Oc1cc(C(=O)O)ccc1[N+](=O)[O-]	32222153	USHZRNJOYADWDS-UHFFFAOYSA-N	225.200	2.080	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCC[C@@H]1O	225724266	UKGJUSBSYPVXLQ-KCJUWKMLSA-N	240.234	2.059	5	40	BEBB	
O=Cc1c([N+](=O)[O-])ccc(F)c1Br	306604447	OBIRIJLZQIKOAW-UHFFFAOYSA-N	248.007	2.309	5	40	BEBB	
Cc1nc([N+](=O)[O-])cn1Cc1ccc(F)cc1	83480	ANWLFOLYHZHQIN-UHFFFAOYSA-N	235.218	2.287	5	40	BEBB	
O=C(O)c1cccc2cc3cccc[n+]3cc12	1713662	FFVURWICMGASLK-UHFFFAOYSA-O	224.239	2.277	5	40	BEBB	
Cc1nc(C(=O)Nc2cccc([N+](=O)[O-])c2)co1	22538273	ZUVPDEHIGKLUNL-UHFFFAOYSA-N	247.210	2.144	5	40	BEBB	
O=C(Nc1ccc(O)cc1)c1ccc([N+](=O)[O-])o1	198669	QHNNCKACSNTGSI-UHFFFAOYSA-N	248.194	2.146	5	40	BEBB	
C[C@]1(c2ccccc2)CC[N+](C)(C)CO1	507756	QDSDUFDXEPOVDK-CYBMUJFWSA-N	206.309	2.356	5	40	BEBB	
O=C1CCCC[C@H]1[C@@H](O)c1cccc([N+](=O)[O-])c1	3017194	OFFGBOIAXPIJKZ-YPMHNXCESA-N	249.266	2.388	5	40	BEBB	biogenic
c1ccc2c(c1)[nH]c1nc3ncncc3nc12	16982856	DBZDODUGFRGEIK-UHFFFAOYSA-N	221.223	2.054	5	40	BEBB	
CNc1ccc2cc([N+](=O)[O-])ccc2n1	35343357	FRESGQPMFMMIET-UHFFFAOYSA-N	203.201	2.185	5	40	BEBB	
Cc1cc(Cl)nc(N2CCC2)c1[N+](=O)[O-]	230556196	IJPRYVORYZFAOD-UHFFFAOYSA-N	227.651	2.162	5	40	BEBB	
C[C@@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)O	6416205	FAIGVYSJWGOAJI-SSDOTTSWSA-N	241.268	2.301	5	40	BEBB	
O=c1c2cc(O)ccc2oc2cccc(O)c12	6524916	KDXFPEKLLFWHMN-UHFFFAOYSA-N	228.203	2.357	5	40	BEBB	endogenous,in-man
O=C(O)/C=C\C=C\c1ccccc1[N+](=O)[O-]	8617672	IJXZQTLMGOOIAI-XATRDHJGSA-N	219.196	2.249	5	40	BEBB	
C[N+]1([C@@H]2CC[C@@H]3CC[C@@H]2[C@@H]3O)CCCCC1	100549632	YLUJMEVKOOGTDN-IGQOVBAYSA-N	224.368	2.166	5	40	BEBB	
COSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1755954	IRFJXZQAFVYYDL-UHFFFAOYSA-N	230.201	2.157	5	40	BEBB	
C[N+]1([C@@H]2CC[C@@H]3CC[C@@H]2C3=O)CCCCC1	100756917	JDBUIALORGDZRH-RWMBFGLXSA-N	222.352	2.375	5	40	BEBB	
O=C(O)/C=C\c1ccc(Cl)c([N+](=O)[O-])c1	32255197	QBDALTIMHOITIU-RQOWECAXSA-N	227.603	2.346	5	40	BEBB	
O=[N+]([O-])c1ccn(Cc2c(F)cccc2F)n1	67799239	SMXNTJZXJZRACM-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
O=[N+]([O-])c1ccc2c(cnn2C(F)F)c1	2647796	YZLRVSNATZSDLY-UHFFFAOYSA-N	213.143	2.340	5	40	BEBB	
CC(C)/C=C/[C@H](O)[C@@H](Cc1ccccc1)[N+](=O)[O-]	68606195	LMZZDULMEREUDZ-VRZZLATASA-N	249.310	2.448	5	40	BEBB	
CC(C)(C)OC(=O)Nc1ccncc1[N+](=O)[O-]	34542973	OBEIOYAIAXCJDI-UHFFFAOYSA-N	239.231	2.337	5	40	BEBB	
Cc1ccc2nc(C(=O)O)ccc2c1[N+](=O)[O-]	85386044	SZUCGQCXAOMCHS-UHFFFAOYSA-N	232.195	2.150	5	40	BEBB	
COc1cc(/C=C(/C)C[N+](=O)[O-])ccc1O	1747248	STRXOYBCJWWVDJ-YVMONPNESA-N	223.228	2.081	5	40	BEBB	
Cc1ccc2[nH]c(=O)c3c(C)cc(=O)oc3c2c1	5530192	FXSWHFYURLNITM-UHFFFAOYSA-N	241.246	2.251	5	40	BEBB	
C[N+]1([C@@H]2CC[C@H]3CCC[C@@H]2C3=O)CCCC1	488971	BTKLEOOUQVGGOK-FRRDWIJNSA-N	222.352	2.375	5	40	BEBB	
C[C@H]1Oc2ccc([N+](=O)[O-])cc2O[C@@H](C)O1	345572	NQNONZOFJVHECQ-RQJHMYQMSA-N	225.200	2.075	5	40	BEBB	
O=[N+]([O-])c1cc[n+]([O-])cc1/C=C\c1ccccc1	4721891	ZWJLRFXTAQXYCQ-SREVYHEPSA-N	242.234	2.399	5	40	BEBB	
COCCCOc1cc(C)c([N+](=O)[O-])cc1F	185660775	VPHCWHZJCCFJNV-UHFFFAOYSA-N	243.234	2.458	5	40	BEBB	
Cc1ccccc1Oc1ncnc(N)c1[N+](=O)[O-]	3912740	DXZKKIZONUPOBH-UHFFFAOYSA-N	246.226	2.068	5	40	BEBB	
O=c1c2cc(O)ccc2oc2c(O)cccc12	6093735	LXSIVSWCSPREMS-UHFFFAOYSA-N	228.203	2.357	5	40	BEBB	biogenic
Cc1ccc([N+](=O)[O-])cc1NCc1ccnn1C	37059590	FHWYYSIVVCADDU-UHFFFAOYSA-N	246.270	2.249	5	40	BEBB	
CCOC(=O)C[C@@]1(C[N+](=O)[O-])CC[C@@H](C)C1	95347582	RWQOCDVVKSXCMT-MWLCHTKSSA-N	229.276	2.023	5	40	BEBB	in-vitro
Cc1nc([N+](=O)[O-])cn1-c1ccccc1	3163483	QEDFIVOBVCLEML-UHFFFAOYSA-N	203.201	2.089	5	40	BEBB	
CN(C)[C@@H]1[C@H]([N+](C)(C)C)[C@H]2CC[C@]1(C)C2(C)C	100364821	RLYOCQKBFBQTAD-BHPKHCPMSA-N	239.427	2.448	5	40	BEBB	
C[N+]1([C@@H]2CC[C@H]3CCC[C@H]2C3=O)CCCC1	102810416	BTKLEOOUQVGGOK-JHJVBQTASA-N	222.352	2.375	5	40	BEBB	biogenic
COc1ccc2c(ccc3[nH]c(C)nc(=O)c32)c1	17060356	GYKICHJCWJDWIP-UHFFFAOYSA-N	240.262	2.393	5	40	BEBB	
C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1	22797035	NBGYDISBOSWHNO-UWVGGRQHSA-N	235.287	2.472	5	40	BEBB	
CCOC(=O)c1ccc2cccc([N+](=O)[O-])c2n1	45954297	BSGXMNIZQNXGJY-UHFFFAOYSA-N	246.222	2.320	5	40	BEBB	
O=c1c2ccccc2oc2cc(O)cc(O)c12	6117594	GTHOERCJZSJGHB-UHFFFAOYSA-N	228.203	2.357	5	40	BEBB	biogenic
N=C(N)c1c(Cl)cc([N+](=O)[O-])cc1Cl	199551575	LSNWPFHPHFOWMH-UHFFFAOYSA-N	234.042	2.186	5	40	BEBB	
C[N+]1(C)[C@@H]2C=C(c3ccccc3)C[C@@H]1COC2	1711489	QRSJXOCIDOERRB-HUUCEWRRSA-N	230.331	2.318	5	40	BEBB	
CS1(C)=NC(=O)c2cc([N+](=O)[O-])ccc2N=1	5759475	PINPVUYSAWWPHU-UHFFFAOYSA-N	239.256	2.161	5	40	BEBB	
O=[N+]([O-])c1cc(F)ccc1OCC(F)F	72209421	PUCPQLAHYTYVJO-UHFFFAOYSA-N	221.134	2.378	5	40	BEBB	
CCOc1cc(/C=C/[N+](=O)[O-])ccc1OC	1410999	KPZCGJDLINXKFN-VOTSOKGWSA-N	223.228	2.341	5	40	BEBB	
O=[N+]([O-])c1cccn2nc(-c3ccccc3)nc12	1705759	WEKRFYPGZQDHOQ-UHFFFAOYSA-N	240.222	2.305	5	40	BEBB	
CC(=O)Nc1ccc([N+](=O)[O-])c2c1CCCC2	4127815	PSYZTASDYLBHEM-UHFFFAOYSA-N	234.255	2.432	5	40	BEBB	
Cc1ccc([N+](=O)[O-])c(C(=O)OCC(F)F)c1	78948103	HACFTXQNPJHZIV-UHFFFAOYSA-N	245.181	2.325	5	40	BEBB	
C[C@H](O)C(C)(C)Nc1ccc(F)cc1[N+](=O)[O-]	95447229	OWYAABVFQWDZGM-ZETCQYMHSA-N	242.250	2.305	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CCC[C@@H]2[C@@H]3O)CCCC1	100570907	XPLDIPBUNDHFNG-XDQVBPFNSA-N	224.368	2.166	5	40	BEBB	
CC[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C	4393806	IYKZGBULZDWZMG-QMMMGPOBSA-N	236.271	2.432	5	40	BEBB	
O=[N+]([O-])/C=C\c1ccc(Cl)cc1[N+](=O)[O-]	8580810	ATWYJPVTSBKBHB-ARJAWSKDSA-N	228.591	2.496	5	40	BEBB	
O=[N+]([O-])c1cc(CO)ccc1N1CCCCC1	20369015	KEWKMSUQVJXYPO-UHFFFAOYSA-N	236.271	2.077	5	40	BEBB	
CC1(C)C=Cc2cc(N)c([N+](=O)[O-])cc2O1	39426550	OMQAQIYAMSIFEK-UHFFFAOYSA-N	220.228	2.361	5	40	BEBB	
CC(C)CCNC(=O)c1ccc([N+](=O)[O-])cc1	5632832	HMHXXYFBPPJKPG-UHFFFAOYSA-N	236.271	2.371	5	40	BEBB	
CCc1cc(O)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	1733767	GYWZTPSPWIAYPR-UHFFFAOYSA-N	226.188	2.079	5	40	BEBB	
Cc1ccc([N+](=O)[O-])c(OC(=S)N(C)C)c1	38337768	NHEOYHLZXNNAOK-UHFFFAOYSA-N	240.284	2.129	5	40	BEBB	
O=C1CCc2cc([N+](=O)[O-])cc(Cl)c2N1	141086812	YJKDTUKJCWPULX-UHFFFAOYSA-N	226.619	2.133	5	40	BEBB	
O=[N+]([O-])c1ccc(F)cc1N[C@@H]1CCC[C@H]1O	225724241	UKGJUSBSYPVXLQ-LDYMZIIASA-N	240.234	2.059	5	40	BEBB	
COC(=O)CCSc1ccc([N+](=O)[O-])cc1	1687697	SNRGBLHQKWCUHS-UHFFFAOYSA-N	241.268	2.250	5	40	BEBB	
CCCCNc1nc2ccccn2c1[N+](=O)[O-]	58303991	BQRLGYBVJVRHPP-UHFFFAOYSA-N	234.259	2.455	5	40	BEBB	
Cc1ncn(-c2ccc(Cl)cc2[N+](=O)[O-])n1	2362801882	WFFSQOASVNBECM-UHFFFAOYSA-N	238.634	2.137	5	40	BEBB	
NC(=O)c1cc2c(ccc3ccccc32)oc1=O	52707	MKGAEQPPIKXYSS-UHFFFAOYSA-N	239.230	2.045	5	40	BEBB	
O=[N+]([O-])c1ccc(-c2cn3c(n2)CCC3)cc1	493944	YJEUKSXNJPGTOE-UHFFFAOYSA-N	229.239	2.405	5	40	BEBB	
CC/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)O	1640013	QMUHBYNLXQHZNR-TWGQIWQCSA-N	221.212	2.473	5	40	BEBB	
CC[C@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl	33012207	FIOJPKZRKYTRSJ-SSDOTTSWSA-N	244.678	2.431	5	40	BEBB	
CCO[C@H]1CN=NN1c1ccc([N+](=O)[O-])cc1	34542934	JFUPSNOWOQKVOO-JTQLQIEISA-N	236.231	2.145	5	40	BEBB	
CC1(C)CCC(C)(C)[C@H](C[N+](=O)[O-])O1	493014	KJOWDMUEJFUGQB-QMMMGPOBSA-N	201.266	2.247	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2nc(C3CC3)n[nH]2)c1	54363733	CWMTXZBSKHDKOR-UHFFFAOYSA-N	230.227	2.257	5	40	BEBB	
CC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1C	57218507	QBSQTWSZUGJUBI-UHFFFAOYSA-N	238.199	2.322	5	40	BEBB	in-vitro
Cc1n[nH]c(Sc2ccc([N+](=O)[O-])cc2)n1	70462263	XEJGKHWCTLEZCS-UHFFFAOYSA-N	236.256	2.173	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CCC[C@H]2[C@@H]3O)CCCC1	169692242	XPLDIPBUNDHFNG-RFQIPJPRSA-N	224.368	2.166	5	40	BEBB	
CCCC(=O)Nc1ccc([N+](=O)[O-])cc1O	9190507	YPKOXFIOZTVYDT-UHFFFAOYSA-N	224.216	2.039	5	40	BEBB	
Cc1nc(C(F)(F)F)ccc1[N+](=O)[O-]	95917978	XVZCBCSMUPWTMU-UHFFFAOYSA-N	206.123	2.317	5	40	BEBB	in-vitro
CCOc1cc([N+](=O)[O-])c2nc(N)sc2c1	5042471	CEHNZKVWJMPLQU-UHFFFAOYSA-N	239.256	2.185	5	40	BEBB	
O=[N+]([O-])c1cc(-c2ncco2)cc([N+](=O)[O-])c1	3852678	GFMHGROGZCXYSI-UHFFFAOYSA-N	235.155	2.158	5	40	BEBB	biogenic
C[C@H](SCc1ccc([N+](=O)[O-])cc1)C(=O)O	6408750	FAIGVYSJWGOAJI-ZETCQYMHSA-N	241.268	2.301	5	40	BEBB	
O=c1cc(O)c2nccc3c4ccccc4n1c23	14445180	ITUDNKAMEIUZFU-UHFFFAOYSA-N	236.230	2.144	5	40	BEBB	biogenic
C[N+]1(C)CCC(C(=O)c2ccccc2)CC1	1585452	YPRIIGAAXIFSTI-UHFFFAOYSA-N	218.320	2.356	5	40	BEBB	
COc1cc2c(cc1OC)C[N+](C)(C)[C@@H](C)C2	2034001	NSELGBXODFVKAI-JTQLQIEISA-N	236.335	2.225	5	40	BEBB	
CN(C)[C@@H]1[C@H]2CC[C@@](C)([C@@H]1[N+](C)(C)C)C2(C)C	3845984	HHDIWALGULTOCF-BHPKHCPMSA-N	239.427	2.448	5	40	BEBB	
CCOC(=O)Oc1cc([N+](=O)[O-])c(F)cc1F	72482065	NDMDBGDXLSTBFV-UHFFFAOYSA-N	247.153	2.408	5	40	BEBB	in-vitro
C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C(=O)O	2526130	FPVGJIAXEJMVRU-RXMQYKEDSA-N	245.618	2.100	5	40	BEBB	
CC(C)CNCc1cccc([N+](=O)[O-])c1	6883644	YLFSWKKHXQYNMI-UHFFFAOYSA-N	208.261	2.340	5	40	BEBB	
Nc1cc(OC(F)(F)F)ccc1[N+](=O)[O-]	63772317	DZYJIFLWGHFMGB-UHFFFAOYSA-N	222.122	2.076	5	40	BEBB	
C[C@]1(CNc2ccc([N+](=O)[O-])cc2)CCOC1	75611294	LBLVQWZQSJLVSR-GFCCVEGCSA-N	236.271	2.433	5	40	BEBB	
Cc1cccc([N+](=O)[O-])c1NC(=O)C(C)C	66089484	MZUVGMYEWBVWFS-UHFFFAOYSA-N	222.244	2.498	5	40	BEBB	
O=C(O)c1ccccc1-c1ccc([N+](=O)[O-])cn1	16698772	LZILLRBYDMYDGM-UHFFFAOYSA-N	244.206	2.355	5	40	BEBB	
O=C1CCCC[C@@H]1[C@@H](O)c1ccc([N+](=O)[O-])cc1	225046	LWDGESCTOIIBJJ-AAEUAGOBSA-N	249.266	2.388	5	40	BEBB	
CCC(=O)c1ccc([N+](=O)[O-])cc1OC	96887350	RFMPKAZZENDOCB-UHFFFAOYSA-N	209.201	2.196	5	40	BEBB	
COC[C@@H]1Cc2cc3c(c([N+](=O)[O-])c2C1)CCC3	2113474309	VWSLCEIZIAEYDX-SECBINFHSA-N	247.294	2.445	5	40	BEBB	
Cc1nn(-c2ccccc2)c(C)c1[N+](=O)[O-]	300939	GAAJJXYPIYFOGE-UHFFFAOYSA-N	217.228	2.397	5	40	BEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)c1cccnc1	38125327	NNWDCNMEMYYVHZ-UHFFFAOYSA-N	242.234	2.415	5	40	BEBB	
CC(=O)n1ncc2c([N+](=O)[O-])cc(Cl)cc21	169190499	FTQKRZBVCIBWSI-UHFFFAOYSA-N	239.618	2.258	5	40	BEBB	
CCOC(=O)C=Cc1ccc([N+](=O)[O-])cc1	1857775701	PFBQVGXIMLXCQB-UHFFFAOYSA-N	221.212	2.171	5	40	BEBB	
O=[N+]([O-])c1cnc2ccc(C(F)(F)F)cn12	40566636	IBQLEURBIDJSIC-UHFFFAOYSA-N	231.133	2.261	5	40	BEBB	
CCCCCC[C@H](C[N+](=O)[O-])OC(C)=O	2041878	WGLPWYQGGICBOF-SNVBAGLBSA-N	217.265	2.165	5	40	BEBB	
CC(=O)C[C@@H](C[N+](=O)[O-])c1ccccc1	1513733	HDACXQXSTHNYRG-NSHDSACASA-N	207.229	2.026	5	40	BEBB	biogenic
COCCNc1cc(Cl)ccc1[N+](=O)[O-]	13633086	XTKQQXPXOJQEEC-UHFFFAOYSA-N	230.651	2.307	5	40	BEBB	
O=[N+]([O-])c1cc(O)ccc1-n1cccc1	39185914	GGPUCGQKCDVAHA-UHFFFAOYSA-N	204.185	2.091	5	40	BEBB	
O=[N+]([O-])c1cnc(Br)cc1Cl	91297088	HJWNYVVSEUNNMO-UHFFFAOYSA-N	237.440	2.406	5	40	BEBB	in-vitro
CC(C)NC(=O)C1(c2ccc([N+](=O)[O-])cc2)CC1	225990348	WZVPZWFAXGEICS-UHFFFAOYSA-N	248.282	2.151	5	40	BEBB	
Cc1ccc2[nH]c3c(ncn4cnnc34)c2c1	5533652	VQMMBQAWUWEMPV-UHFFFAOYSA-N	223.239	2.067	5	40	BEBB	
Cc1cc(N2CCOCC2)c([N+](=O)[O-])cc1C	45957782	KUGGTJGUEMGHOU-UHFFFAOYSA-N	236.271	2.048	5	40	BEBB	
CCCCN1CCc2ncc([N+](=O)[O-])cc2C1	95466661	FAIFHTMGHWGMBC-UHFFFAOYSA-N	235.287	2.148	5	40	BEBB	
C[C@@H]1OC(c2cccc([N+](=O)[O-])c2)O[C@H]1C	1679847	SJZKKJDKHOYPBP-YUMQZZPRSA-N	223.228	2.417	5	40	BEBB	
C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)O	58161861	QXAVVKIRERZGIL-ZETCQYMHSA-N	242.250	2.305	5	40	BEBB	
Cc1c(NCCC(C)(C)O)cccc1[N+](=O)[O-]	95943731	ZOEOXTPCDWZWDY-UHFFFAOYSA-N	238.287	2.476	5	40	BEBB	
CC(=O)Nc1ccc(OC(C)C)cc1[N+](=O)[O-]	34117816	GCUZEMPTSYMREM-UHFFFAOYSA-N	238.243	2.340	5	40	BEBB	
Cc1c(N)cc([N+](=O)[O-])cc1Br	14986270	AORXQFQBVQILBL-UHFFFAOYSA-N	231.049	2.248	5	40	BEBB	in-vitro
Nc1ccc([N+](=O)[O-])c(-c2ccccc2)n1	39953662	CLKRMIVNRORWRC-UHFFFAOYSA-N	215.212	2.239	5	40	BEBB	
CCCNc1nn(C(C)C)cc1[N+](=O)[O-]	95098521	ZIXWGHXXTSXEAU-UHFFFAOYSA-N	212.253	2.194	5	40	BEBB	
COCCSc1ccccc1[N+](=O)[O-]	96436774	DIEYTGXBYYJEMY-UHFFFAOYSA-N	213.258	2.333	5	40	BEBB	
Cc1cnn(CCOc2ccccc2[N+](=O)[O-])c1	97082538	IDCLZJFKFYOGLD-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
CCC1(c2cccc([N+](=O)[O-])c2)OCCO1	1726763	DQYTZNOSBAFCTR-UHFFFAOYSA-N	223.228	2.204	5	40	BEBB	
CCOC(=O)c1cc([N+](=O)[O-])c(F)cc1F	35186050	HKGIEPXOWGJFCW-UHFFFAOYSA-N	231.154	2.050	5	40	BEBB	
Cc1ccc(NC(=O)C2CC2)cc1[N+](=O)[O-]	5618320	DHESXQUGVFQWPY-UHFFFAOYSA-N	220.228	2.252	5	40	BEBB	
Nc1ccc([N+](=O)[O-])c(F)c1OC(F)(F)F	885164203	SDHLQAYHXFRCMH-UHFFFAOYSA-N	240.112	2.215	5	40	BEBB	
O=[N+]([O-])c1cccnc1Sc1ncccc1O	481343	UYJCQPBJQZKLPI-UHFFFAOYSA-N	249.251	2.242	5	40	BEBB	
Cc1c(Cl)cc(C=O)c(O)c1[N+](=O)[O-]	4290799	KSNUVJMFXGJUKA-UHFFFAOYSA-N	215.592	2.075	5	40	BEBB	
O=[N+]([O-])[C@H](F)Cc1ccc(Cl)cc1	306145890	UTKZPJCKTVUSGH-QMMMGPOBSA-N	203.600	2.455	5	40	BEBB	
O=Cc1cc(N2CCCC2)ccc1[N+](=O)[O-]	15779447	RBTIGMLMWOERDE-UHFFFAOYSA-N	220.228	2.008	5	40	BEBB	
O=C1CCCN1c1ccc(Cl)c([N+](=O)[O-])c1	32627280	FLDGVCUKWQCKKY-UHFFFAOYSA-N	240.646	2.375	5	40	BEBB	in-vitro
Cc1cc(C(=O)OCCCF)ccc1[N+](=O)[O-]	96422150	SZHOJCSWGFVHQI-UHFFFAOYSA-N	241.218	2.420	5	40	BEBB	
CN(C)c1ccc([N+](=O)[O-])c(Cl)c1C(=O)O	536953494	IHZCEKHQPLVMOO-UHFFFAOYSA-N	244.634	2.012	5	40	BEBB	
O=[N+]([O-])c1ccn(Cc2ccc(F)c(F)c2)n1	71978422	XHOFQVLEUBKPDS-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
CC(C)(C)c1c(Cl)nnc(O)c1[N+](=O)[O-]	642882550	KXPPNHPOKIVCLZ-UHFFFAOYSA-N	231.639	2.041	5	40	BEBB	
CC1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1	15443323	RYJMBZUFGDTYHS-UHFFFAOYSA-N	235.287	2.413	5	40	BEBB	
O=[N+]([O-])c1ccc(F)c(F)c1OC(F)F	95215447	LUDLBDDNEVIJJC-UHFFFAOYSA-N	225.097	2.474	5	40	BEBB	
Cc1ccc(C2OCC(C)([N+](=O)[O-])CO2)cc1	1641672	MALGSGSNCVPZOV-UHFFFAOYSA-N	237.255	2.076	5	40	BEBB	
CCOC(=O)Cc1c[nH]c2cc([N+](=O)[O-])ccc12	1674069	MCCXPRHOEUPTRS-UHFFFAOYSA-N	248.238	2.182	5	40	BEBB	
Cc1cc(Nc2cccc([N+](=O)[O-])c2)nc(N)n1	149999170	LEOLUDLEZDOIID-UHFFFAOYSA-N	245.242	2.019	5	40	BEBB	
O=C(NCc1ccc([N+](=O)[O-])cc1)c1ccco1	248503	CIXALTYKOFFHBE-UHFFFAOYSA-N	246.222	2.118	5	40	BEBB	
Cc1cc(C)c([N+](=O)[O-])c([N+](=O)[O-])c1C	5371192	QKPVCVOSLXWZPB-UHFFFAOYSA-N	210.189	2.428	5	40	BEBB	in-vitro
O=[N+]([O-])c1cc(C(F)(F)F)cnc1F	39340770	GRBXIMNAPLIFHK-UHFFFAOYSA-N	210.086	2.148	5	40	BEBB	
Cc1ccc(-c2cc[nH]n2)cc1[N+](=O)[O-]	42415014	HJGWECFMLUXZLS-UHFFFAOYSA-N	203.201	2.293	5	40	BEBB	
C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1	5637790	POMUPJOEFRLELI-NXEZZACHSA-N	235.287	2.472	5	40	BEBB	
CC(C)c1cc(C=O)c(O)c([N+](=O)[O-])c1	63926346	YCZJAUBIQJJCRJ-UHFFFAOYSA-N	209.201	2.236	5	40	BEBB	
CCc1c(C)[nH]c2ccc([N+](=O)[O-])cc2c1=O	685937990	FYKVIJWNBQGXIE-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
CN(Cc1ccccc1[N+](=O)[O-])CC1CC1	52106388	VCBXBNYLGSRCOI-UHFFFAOYSA-N	220.272	2.437	5	40	BEBB	
CCOC(=O)/C=C\c1ccccc1[N+](=O)[O-]	17300509	TYYXOWPEFVCPDV-FPLPWBNLSA-N	221.212	2.171	5	40	BEBB	
Cc1c(C(=O)NCC2CC2)cccc1[N+](=O)[O-]	12907067	DKUFYIGWWDOBDO-UHFFFAOYSA-N	234.255	2.043	5	40	BEBB	
O=[N+]([O-])c1cnc2cccnc2c1Cl	39401036	FDOIXMGDTOEUQL-UHFFFAOYSA-N	209.592	2.191	5	40	BEBB	
COCCCOc1ccc([N+](=O)[O-])cc1F	67800726	DBZHDXKZGUATPM-UHFFFAOYSA-N	229.207	2.149	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1Br)CCN2	348070	YABGMLXPMPPWKX-UHFFFAOYSA-N	243.060	2.325	5	40	BEBB	
CN(C)[C@H]1C=CC[C@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	31669894	XEFALROTPLJINF-RDBSUJKOSA-N	246.310	2.306	5	40	BEBB	
COc1ccnc2ccc([N+](=O)[O-])cc12	95932400	NDTIKLZOFMIJHX-UHFFFAOYSA-N	204.185	2.152	5	40	BEBB	
COCCCOc1cccc([N+](=O)[O-])c1	117924095	NMCYSPLLARNSEJ-UHFFFAOYSA-N	211.217	2.010	5	40	BEBB	
O=C1CCCC[C@H]1[C@@H](O)c1ccc([N+](=O)[O-])cc1	225048	LWDGESCTOIIBJJ-YPMHNXCESA-N	249.266	2.388	5	40	BEBB	
Cc1ccc2nc3ccccc3[n+]([O-])c2c1	6071349	UJWVEXVOFLBGFM-UHFFFAOYSA-N	210.236	2.330	5	40	BEBB	
Cc1cc(Oc2cccnc2[N+](=O)[O-])nc(C)n1	32769739	QXPQOCVNXJUUJY-UHFFFAOYSA-N	246.226	2.189	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)CCN(C1CC1)C2	218744407	MBQBLWKIMZXSKX-UHFFFAOYSA-N	218.256	2.115	5	40	BEBB	
CCOC(=O)Oc1ccc(C)cc1[N+](=O)[O-]	1648364	XOVPRXZEEKVXAP-UHFFFAOYSA-N	225.200	2.439	5	40	BEBB	
Cc1nnc2nnc3c4ccccc4ccc3n12	4450081	KNYKLCOIWMFNBX-UHFFFAOYSA-N	235.250	2.134	5	40	BEBB	
Cc1nc2cc(Cl)c([N+](=O)[O-])cc2[nH]1	34295842	PVDULBTYINRCFT-UHFFFAOYSA-N	211.608	2.433	5	40	BEBB	
Cc1ccn(CCOc2ccccc2[N+](=O)[O-])n1	72209612	SUHZPMRCNRYVPN-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1OCC1CC1)OCO2	217725422	BMHUSBLCDMTDDS-UHFFFAOYSA-N	237.211	2.112	5	40	BEBB	
Cc1cc(N)c2ccc([N+](=O)[O-])cc2n1	95534944	RBIFSCOVTUERHU-UHFFFAOYSA-N	203.201	2.034	5	40	BEBB	
CN(C)[C@H]1[C@@H]([N+](C)(C)C)[C@H]2CC[C@@]1(C)C2(C)C	245240685	RLYOCQKBFBQTAD-UKTARXLSSA-N	239.427	2.448	5	40	BEBB	
COC(=O)/C=C(\C)Nc1cccc([N+](=O)[O-])c1	17423909	OOVCADKBHRTSHC-SOFGYWHQSA-N	236.227	2.084	5	40	BEBB	
C[C@H]1C[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	97021272	FQJXQCYXIHCFHX-KWQFWETISA-N	234.255	2.214	5	40	BEBB	
O=[N+]([O-])c1cc(F)c(OC(F)F)c(F)c1	95215408	YLHNCEIZLBRXSX-UHFFFAOYSA-N	225.097	2.474	5	40	BEBB	
CCC[C@]1([N+]2(C)CCCC2)C[S@](=O)[C@@H]1CC	5179350	GNAHNCGQQCEKIG-DVOMOZLQSA-N	244.424	2.307	5	40	BEBB	
Cc1cnc(Sc2ncccc2[N+](=O)[O-])nc1	987852	VLJNALDOMOTHNF-UHFFFAOYSA-N	248.267	2.239	5	40	BEBB	
CC(=O)C[C@H](C[N+](=O)[O-])c1ccccc1	1513734	HDACXQXSTHNYRG-LLVKDONJSA-N	207.229	2.026	5	40	BEBB	biogenic
O=C(O)c1c(Cl)[nH]c2ccc([N+](=O)[O-])cc12	214348861	KPLLYKDUNVXKQH-UHFFFAOYSA-N	240.602	2.428	5	40	BEBB	
C[C@@H](CO)Sc1ccc(F)cc1[N+](=O)[O-]	78676203	ZFHOPKNMOFVPST-LURJTMIESA-N	231.248	2.207	5	40	BEBB	
CCCONC(=O)Nc1ccccc1[N+](=O)[O-]	4317490	JNBJWLQEVHXZIO-UHFFFAOYSA-N	239.231	2.058	5	40	BEBB	
CC[C@@H](C)NCc1ccc([N+](=O)[O-])cc1	8326000	TZTASTZZQIKQRG-SECBINFHSA-N	208.261	2.483	5	40	BEBB	
O=Cc1cc(-c2ccc([N+](=O)[O-])cc2)no1	83429537	PCXOGUGVSIMPSD-UHFFFAOYSA-N	218.168	2.062	5	40	BEBB	
O=C(O)CCc1ccc([N+](=O)[O-])cc1Cl	1750730	PWSXBIUIBRGCNU-UHFFFAOYSA-N	229.619	2.265	5	40	BEBB	
COc1cc([N+](=O)[O-])c2onc(Cl)c2c1	1857794814	LHICUNMFHZQJFR-UHFFFAOYSA-N	228.591	2.398	5	40	BEBB	
CC(=O)S[C@H](C[N+](=O)[O-])c1ccccc1	5434358	YPTUXBSIFZOUKX-SNVBAGLBSA-N	225.269	2.284	5	40	BEBB	
O=[N+]([O-])c1ccc(OCCCn2ccnc2)cc1	39425617	GYVYWAUONFWZDV-UHFFFAOYSA-N	247.254	2.260	5	40	BEBB	
CN(C)c1ccc2c(=O)c3ccccc3oc2n1	31818657	KXXTUVAJDQJMJK-UHFFFAOYSA-N	240.262	2.407	5	40	BEBB	
CCCOCc1cccc([N+](=O)[O-])c1N	229824460	FYHLUTBQJNCOJK-UHFFFAOYSA-N	210.233	2.104	5	40	BEBB	
CC(C)NC(=O)[C@H](C)c1ccc([N+](=O)[O-])cc1	579973	OJORIPCAVZVZRG-SECBINFHSA-N	236.271	2.223	5	40	BEBB	
O=[N+]([O-])c1ccc(N2CCOCC2)cc1Cl	5799227	HFTBJOHDKIVTSQ-UHFFFAOYSA-N	242.662	2.085	5	40	BEBB	
Cc1cc(OC(F)(F)F)cc([N+](=O)[O-])c1N	16125794	RKOREZRSQWTGLZ-UHFFFAOYSA-N	236.149	2.384	5	40	BEBB	
CCC(C)(C)C(=O)Nc1ccc([N+](=O)[O-])cn1	16971980	ZBZAHIHDHNEOTG-UHFFFAOYSA-N	237.259	2.365	5	40	BEBB	
CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(C)cc21	30947859	ZSRJNJMBEUCWMK-UHFFFAOYSA-N	249.270	2.059	5	40	BEBB	
CCNc1ncc([N+](=O)[O-])cc1Cl	40566576	LYVVTTAVPXBFHD-UHFFFAOYSA-N	201.613	2.075	5	40	BEBB	
CC(=O)c1c[nH]c2c([N+](=O)[O-])cccc12	79006838	NDXMZEQFBKFBQC-UHFFFAOYSA-N	204.185	2.279	5	40	BEBB	
CC[C@H](C)NCc1ccccc1[N+](=O)[O-]	20036441	QJWFKCGFPGFDEU-VIFPVBQESA-N	208.261	2.483	5	40	BEBB	
Cc1nc2ccc(Cl)cn2c1[N+](=O)[O-]	13207413	XDTFEWGPNDKQED-UHFFFAOYSA-N	211.608	2.204	5	40	BEBB	
CCCC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1	9141533	IYGUREHQYPURIQ-UHFFFAOYSA-N	238.243	2.342	5	40	BEBB	
O=C(O)C1(c2ccc([N+](=O)[O-])cc2)CCC1	67801565	LCFMHXAUNXCFAH-UHFFFAOYSA-N	221.212	2.101	5	40	BEBB	in-vitro
O=[N+]([O-])c1cc2c(c3cccnc13)COCO2	13283280	UVSIAFOEEBVABF-UHFFFAOYSA-N	232.195	2.010	5	40	BEBB	
COCCCNc1cccc(F)c1[N+](=O)[O-]	37420827	WNUFIPZYRPMKKD-UHFFFAOYSA-N	228.223	2.182	5	40	BEBB	
O=C1NC2(CCCC2)Nc2ccc([N+](=O)[O-])cc21	90661431	OYTOIBTZZHOXMR-UHFFFAOYSA-N	247.254	2.020	5	40	BEBB	
COc1ccc(-n2cccc2C=O)cc1[N+](=O)[O-]	223741897	MAGUSWPTMGWPSU-UHFFFAOYSA-N	246.222	2.207	5	40	BEBB	
CCCCCCC1OCC(C)([N+](=O)[O-])CO1	4410857	CILVWTFYDIFKLI-UHFFFAOYSA-N	231.292	2.365	5	40	BEBB	
C[C@@]1(CNc2ccc([N+](=O)[O-])cc2)CCOC1	75611302	LBLVQWZQSJLVSR-LBPRGKRZSA-N	236.271	2.433	5	40	BEBB	
O=[N+]([O-])CCOc1ccc(Br)cc1	59268689	SALZVZPKLDWAQA-UHFFFAOYSA-N	246.060	2.105	5	40	BEBB	
CCNC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	46705296	FENRTQKLIQWJBZ-UHFFFAOYSA-N	243.650	2.390	5	40	BEBB	
COC(=O)c1ccc(OC(C)C)c([N+](=O)[O-])c1	35085127	GKXIDJWRAQIHJP-UHFFFAOYSA-N	239.227	2.169	5	40	BEBB	
Cc1ncc([N+](=O)[O-])n1Cc1ccccc1	794559	VJESCIYRNWUDFT-UHFFFAOYSA-N	217.228	2.148	5	40	BEBB	
COc1ccc2ncccc2c1[N+](=O)[O-]	1685896	RYJDGHWDTDEBGQ-UHFFFAOYSA-N	204.185	2.152	5	40	BEBB	in-vitro
C[C@@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1	2741767	FODWPAJNDQBOLX-SNVBAGLBSA-N	248.282	2.467	5	40	BEBB	
CC1(C)Oc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2O1	4127839	PMYSRAAYCZPNHT-UHFFFAOYSA-N	240.171	2.010	5	40	BEBB	
O=C(O)/C=C/c1ccc([N+](=O)[O-])cc1Cl	1717373	UQOPTOKQPGXSFP-DUXPYHPUSA-N	227.603	2.346	5	40	BEBB	
O=[N+]([O-])c1ccc2oc([N+](=O)[O-])cc2c1	1574576	XACDRIKGMSQONZ-UHFFFAOYSA-N	208.129	2.249	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@@H]2[C@H]3O)CCCCC1	101138246	YLUJMEVKOOGTDN-XUXIUFHCSA-N	224.368	2.166	5	40	BEBB	
O=[N+]([O-])Cc1ccccc1Br	147594124	PUGNFKHOEWNBTL-UHFFFAOYSA-N	216.034	2.226	5	40	BEBB	
CCc1ccc(OCn2cc([N+](=O)[O-])cn2)cc1	22637598	YLZCVHQAVLXTET-UHFFFAOYSA-N	247.254	2.390	5	40	BEBB	
Cc1onc(-c2ccc([N+](=O)[O-])cc2)c1C(=O)O	49453018	VFJLIEUAOCAYLH-UHFFFAOYSA-N	248.194	2.256	5	40	BEBB	
Cc1nccc([N+](=O)[O-])c1Br	169804092	GALRLPSHWHSQAX-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
CC(C)/C=C/[C@@H](O)[C@H](Cc1ccccc1)[N+](=O)[O-]	68606208	LMZZDULMEREUDZ-NYCDYWJRSA-N	249.310	2.448	5	40	BEBB	
CSc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1628052	CQLUVMHXDVLHSK-UHFFFAOYSA-N	214.202	2.225	5	40	BEBB	
O=[N+]([O-])c1cccc(F)c1OC[C@@H]1CCCO1	67800684	DSLODFITPQPLPU-QMMMGPOBSA-N	241.218	2.292	5	40	BEBB	
Nc1nc(Sc2ccccn2)ccc1[N+](=O)[O-]	19815475	GJVQJRVGAWHVRY-UHFFFAOYSA-N	248.267	2.118	5	40	BEBB	
C[N+]1(C)CC2=Cc3ccccc3C[C@@H]2C1	1322466	TVBLXJWXSYHCKO-CQSZACIVSA-N	200.305	2.332	5	40	BEBB	biogenic
c1cc[n+]2cc3c4c(ccc3cc2c1)OCO4	1683134	OZXZAJNESMYANL-UHFFFAOYSA-N	224.239	2.307	5	40	BEBB	
Nc1ccc(SC(F)F)cc1[N+](=O)[O-]	96663655	VAKBTQMLHNLUGC-UHFFFAOYSA-N	220.200	2.492	5	40	BEBB	
CCc1[nH]c2cccc([N+](=O)[O-])c2c(=O)c1C	685937906	AFABLGYGCCRFGI-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
C[N+]1(C)CCC[C@](CO)(c2ccccc2)CC1	5698958	XSBHQHNCEYYAHA-HNNXBMFYSA-N	234.363	2.177	5	40	BEBB	
O=C(O)/C=C\c1cc(Cl)ccc1[N+](=O)[O-]	91366410	PXHIUBAKYZFXKE-RJRFIUFISA-N	227.603	2.346	5	40	BEBB	
COc1ccc([N+](=O)[O-])c(C(F)(F)F)n1	19615780	FWMQACOAQFSACZ-UHFFFAOYSA-N	222.122	2.017	5	40	BEBB	
O=C1CCCC[C@@H]1[C@H](O)c1ccc([N+](=O)[O-])cc1	225047	LWDGESCTOIIBJJ-WCQYABFASA-N	249.266	2.388	5	40	BEBB	
O=C(O)c1cc([N+](=O)[O-])cc2ccccc12	345519	JTNZIGOFCKHWDV-UHFFFAOYSA-N	217.180	2.446	5	40	BEBB	in-vitro
COc1ccc([N+](=O)[O-])cc1CN(C)C(C)C	1555706	LKNICEWFRVOXCZ-UHFFFAOYSA-N	238.287	2.444	5	40	BEBB	
CC[C@H](O[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	2048375	FGVIZJUFMNFQBO-VIFPVBQESA-N	226.188	2.254	5	40	BEBB	
CC(C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	16468738	SOEWQAGRXNAMRP-VIFPVBQESA-N	236.271	2.369	5	40	BEBB	
O=[N+]([O-])c1cccnc1NCc1ccco1	19990858	WWAMRFSOYGXKAR-UHFFFAOYSA-N	219.200	2.195	5	40	BEBB	
CCOc1cc(C)nn1-c1ccc([N+](=O)[O-])cc1	31376	AXDQJDGTJUFXMG-UHFFFAOYSA-N	247.254	2.488	5	40	BEBB	
O=[N+]([O-])c1cccc(CNCc2ccccn2)c1	57362393	NONMMMWBULNCFB-UHFFFAOYSA-N	243.266	2.280	5	40	BEBB	
Cc1cc(N[C@@H](C)CCO)ccc1[N+](=O)[O-]	72293786	VICUFVMBVVIGQR-VIFPVBQESA-N	224.260	2.086	5	40	BEBB	
O=[N+]([O-])c1cc(Br)c(O)cc1F	82237864	SLYLDENEWMZMFV-UHFFFAOYSA-N	235.996	2.202	5	40	BEBB	in-vitro
CCOCCCNc1ccccc1[N+](=O)[O-]	21786981	XZYGYBQREWZCEB-UHFFFAOYSA-N	224.260	2.433	5	40	BEBB	
CCOC(=O)C(F)(F)c1ccccc1[N+](=O)[O-]	143458787	ZAQLOOXTLNMEFD-UHFFFAOYSA-N	245.181	2.250	5	40	BEBB	
C[C@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cn1	32906789	DUAINLLWZHJWAT-MRVPVSSYSA-N	221.260	2.225	5	40	BEBB	
O=[N+]([O-])c1cc(F)ccc1[C@H](O)C(F)(F)F	1857793234	SUOOVFRRRYZAMT-ZETCQYMHSA-N	239.124	2.330	5	40	BEBB	
O=[N+]([O-])c1ccc(Cl)c(Cn2ccnc2)c1	37403841	BOJRFMLDDOSXDT-UHFFFAOYSA-N	237.646	2.493	5	40	BEBB	
C[C@H](CCO)CNc1cc(F)ccc1[N+](=O)[O-]	97443234	PZOGZZQTGGHBPP-MRVPVSSYSA-N	242.250	2.164	5	40	BEBB	
O=c1c2cc(O)ccc2[nH]c2cccc(O)c12	13481036	KXKWBGSBYIZPDQ-UHFFFAOYSA-N	227.219	2.093	5	40	BEBB	biogenic
Cc1c(-c2ccc(C(N)=O)o2)cccc1[N+](=O)[O-]	73640119	XOBZARAVOUWFCF-UHFFFAOYSA-N	246.222	2.262	5	40	BEBB	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c(=O)c1C	685938480	UPJWRQAMYGOSBT-UHFFFAOYSA-N	218.212	2.053	5	40	BEBB	
Cc1cc(Oc2ccc([N+](=O)[O-])cc2)ncn1	41195313	CXKJPMWQHUTVHT-UHFFFAOYSA-N	231.211	2.486	5	40	BEBB	
COCCSc1ccc(F)cc1[N+](=O)[O-]	96436771	AFHUIFBPMOCMRX-UHFFFAOYSA-N	231.248	2.472	5	40	BEBB	
O=[N+]([O-])c1ccc([S@@](=O)C(F)(F)F)cc1	4387790	FEEZTKJJCSPLDF-HNNXBMFYSA-N	239.174	2.222	5	40	BEBB	
O=c1c2ccccc2n(CCO)c2ccccc12	35649905	QSVCVHZCFZSUEM-UHFFFAOYSA-N	239.274	2.147	5	40	BEBB	
Cc1nc(-c2ccc([N+](=O)[O-])cc2Cl)n[nH]1	95532228	FTXMHMSBXJHWSB-UHFFFAOYSA-N	238.634	2.342	5	40	BEBB	
O=[N+]([O-])c1ccc([N+](=O)[O-])c(Cl)c1	4427538	OEZJLUBWUDVTSS-UHFFFAOYSA-N	202.553	2.156	5	40	BEBB	
CC(C)Cn1ncc([N+](=O)[O-])c1Cl	95097396	UZZAGENKAYARSM-UHFFFAOYSA-N	203.629	2.101	5	40	BEBB	
CCOc1ccc(Cn2ccnc2)cc1[N+](=O)[O-]	122006	VWJRFASAMZIYPI-UHFFFAOYSA-N	247.254	2.238	5	40	BEBB	
O=[N+]([O-])c1cnn(Cc2ccccc2Cl)c1	380107	GBKULURNAFUOMB-UHFFFAOYSA-N	237.646	2.493	5	40	BEBB	
Cc1cccc(C[N+](C)(C)CCCO)c1C	1600314	FZADGSZPCHOSFM-UHFFFAOYSA-N	222.352	2.262	5	40	BEBB	
CC[C@@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1	5593260	VVMKCWZIRKHGHI-RXMQYKEDSA-N	229.261	2.036	5	40	BEBB	
O=C(Nc1ccc(F)c([N+](=O)[O-])c1)C1CCC1	8079811	WEQHJYPUORBFHE-UHFFFAOYSA-N	238.218	2.473	5	40	BEBB	
C[C@@](O)(c1ccccc1[N+](=O)[O-])C(F)(F)F	43368027	YXUUANHTOGDQKO-MRVPVSSYSA-N	235.161	2.365	5	40	BEBB	
O=[N+]([O-])c1cc(C(F)(F)F)c2cn[nH]c2c1	89196520	OQSAMGQYHIMFPN-UHFFFAOYSA-N	231.133	2.490	5	40	BEBB	
CCC(C)(C)c1cc(NN)c(O)c([N+](=O)[O-])c1	199788000	MJCFHYANQHJCEO-UHFFFAOYSA-N	239.275	2.274	5	40	BEBB	
Nc1cccc2c(=O)c3ccccc3[nH]c12	5072506	JXMIIUZBDWKSBK-UHFFFAOYSA-N	210.236	2.264	5	40	BEBB	in-vitro
CC(=O)Nc1ccc([N+](=O)[O-])c(OC(F)F)c1	5446582	QNHXWAFJHYVTIL-UHFFFAOYSA-N	246.169	2.155	5	40	BEBB	
COCCSCc1ccccc1[N+](=O)[O-]	75584390	ZCULMDYQVNPZKE-UHFFFAOYSA-N	227.285	2.474	5	40	BEBB	
COc1cccc(C(=O)OC(C)C)c1[N+](=O)[O-]	193035731	LHLWGVXUQICWCU-UHFFFAOYSA-N	239.227	2.169	5	40	BEBB	
CNc1cc(F)c(F)c(F)c1[N+](=O)[O-]	71790132	WZQPNRSDHWCMEL-UHFFFAOYSA-N	206.123	2.054	5	40	BEBB	
[O][n+]1cnc2ccc3cccc4ccc1c2c34	100128211	UDBLUSBMIWBXPP-UHFFFAOYSA-N	220.231	2.460	5	40	BEBB	
O=[N+]([O-])c1ccccc1OCC(F)F	12395201	MMBPOWLRKHSHPW-UHFFFAOYSA-N	203.144	2.239	5	40	BEBB	
C1CC[N+]2(C1)CCCC[N+]1(CCCC1)CC2	1646431	POFQDCTVMUMCTD-UHFFFAOYSA-N	224.392	2.001	5	40	BEBB	
CCOC(=O)c1cc(Cl)cc([N+](=O)[O-])c1O	73636335	UPPGKFOEZDUZBC-UHFFFAOYSA-N	245.618	2.131	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)C1(CCOCC1)CN2	91304701	IQXBSWFIQCMYPG-UHFFFAOYSA-N	234.255	2.069	5	40	BEBB	
NC1(c2ccc([N+](=O)[O-])cc2)CCCC1	228739452	WIHODNIJEBFEEQ-UHFFFAOYSA-N	206.245	2.323	5	40	BEBB	
O=[N+]([O-])c1ccc(N2CCCCCC2)cn1	31773333	LAAJAAWUVDGRAG-UHFFFAOYSA-N	221.260	2.370	5	40	BEBB	
CC[C@@H](C)NCc1ccccc1[N+](=O)[O-]	20036437	QJWFKCGFPGFDEU-SECBINFHSA-N	208.261	2.483	5	40	BEBB	
CCOC(=O)/C(F)=C/c1cccc([N+](=O)[O-])c1	1625470	FIHNPBNQWYGKLT-YFHOEESVSA-N	239.202	2.468	5	40	BEBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2CC=CC[C@@H]2C1	1677241	WPNNLSNDLFUPAX-HUUCEWRRSA-N	238.419	2.125	5	40	BEBB	
O=[N+]([O-])c1cccc(CSc2ncn[nH]2)c1	28288395	CKFUOIFGDARKFX-UHFFFAOYSA-N	236.256	2.005	5	40	BEBB	
O=[N+]([O-])c1c[nH]c2cc(Br)cnc12	44712912	KMWWJYXJPXJLEH-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	in-vitro
NC1=NC(=O)S/C1=C\c1cccc([N+](=O)[O-])c1	72414722	MWXSGYARNUOJPG-YVMONPNESA-N	249.251	2.160	5	40	BEBB	
Cc1nnc(-c2ccc(C)c([N+](=O)[O-])c2)o1	39110155	FXPSNOVRPHPNFC-UHFFFAOYSA-N	219.200	2.262	5	40	BEBB	
O=C(O)c1c([N+](=O)[O-])cccc1C(F)(F)F	35575866	AVBBEHFQLFYRGH-UHFFFAOYSA-N	235.117	2.312	5	40	BEBB	
O=C(O)CCOc1ccc(Cl)cc1[N+](=O)[O-]	19422897	JEGFZQMHMZIUJD-UHFFFAOYSA-N	245.618	2.102	5	40	BEBB	
C/C(=C/c1ccc2c(c1)OCO2)[N+](=O)[O-]	40018	CCEVJKZHAJJQJR-DAXSKMNVSA-N	207.185	2.053	5	40	BEBB	
CC(=O)Nc1ccc2scnc2c1[N+](=O)[O-]	85436298	DJHLTTYKRLLXKW-UHFFFAOYSA-N	237.240	2.163	5	40	BEBB	
CC[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1C	4393805	IYKZGBULZDWZMG-MRVPVSSYSA-N	236.271	2.432	5	40	BEBB	
C/C(=C\c1cccc([N+](=O)[O-])c1)[N+](=O)[O-]	4709224	OERQCTVLGKJURQ-FNORWQNLSA-N	208.173	2.232	5	40	BEBB	
C[C@H]1Oc2cc([N+](=O)[O-])ccc2O[C@@H](C)O1	345577	NQNONZOFJVHECQ-NKWVEPMBSA-N	225.200	2.075	5	40	BEBB	
Cc1ncc([N+](=O)[O-])n1C(=O)Nc1ccccc1	16363356	JDGSUBLOPMTBPH-UHFFFAOYSA-N	246.226	2.180	5	40	BEBB	
COc1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1OC	96527455	RMWXVWFBZMLABO-UHFFFAOYSA-N	249.226	2.002	5	40	BEBB	
CC(=O)Nc1ccc(C)c(C)c1[N+](=O)[O-]	4127884	WIEZBVGFSIKQMC-UHFFFAOYSA-N	208.217	2.170	5	40	BEBB	
O=C(O)c1ccc(-c2ccc([N+](=O)[O-])nc2)cc1	35242336	BRLFBOIOJXWHEC-UHFFFAOYSA-N	244.206	2.355	5	40	BEBB	
CCCN1CCc2cc([N+](=O)[O-])ccc2C1	218744329	AERNRMOCLUNWEX-UHFFFAOYSA-N	220.272	2.363	5	40	BEBB	
C[N+]12CCC(CC1)[C@H](C(=O)c1cccs1)C2	204020	MJQXIFHBVJHGQY-IQLKVPPVSA-N	236.360	2.417	5	40	BEBB	
CCc1c(C)[nH]c2cc([N+](=O)[O-])ccc2c1=O	685938410	QXJNFCZXPYPJRE-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
Cc1cc(=O)n2c(cc3cccccc32)n1	1620177	LTYBGOZEYMHOCF-UHFFFAOYSA-N	210.236	2.156	5	40	BEBB	
O=[N+]([O-])c1c(O)cc(Cl)nc1Cl	2507200	SSSUJSXIVQIUSV-UHFFFAOYSA-N	208.988	2.002	5	40	BEBB	
Nc1c([N+](=O)[O-])c2cccnc2c2ncccc12	59299519	FPDWWTWQUVUMJH-UHFFFAOYSA-N	240.222	2.273	5	40	BEBB	
CCC[C@@H](O)CNc1ccccc1[N+](=O)[O-]	71900413	POLNGMOEZZUDMG-SECBINFHSA-N	224.260	2.168	5	40	BEBB	
CC(=O)OCc1ccc2cc([N+](=O)[O-])ccc2n1	79006885	PVQDZHFHTFVSNY-UHFFFAOYSA-N	246.222	2.206	5	40	BEBB	
O=C1CCc2cc(Cl)cc([N+](=O)[O-])c2N1	71196148	CKVDONOOZSXFIO-UHFFFAOYSA-N	226.619	2.133	5	40	BEBB	
O=c1c2ccccc2[nH]c2ccc(O)cc12	3886545	IQJICBDZRSNSEJ-UHFFFAOYSA-N	211.220	2.387	5	40	BEBB	biogenic
CC1CCN(c2ncccc2[N+](=O)[O-])CC1	78574685	IDZBAAJJFVMDQI-UHFFFAOYSA-N	221.260	2.226	5	40	BEBB	
O=Cc1ccc2ccc(F)c([N+](=O)[O-])c2n1	85399744	WYWAIVLKBULYFK-UHFFFAOYSA-N	220.159	2.095	5	40	BEBB	
Cc1ccc(-n2cc([N+](=O)[O-])nn2)cc1Cl	1392910	MEGLYFPNOYCWBB-UHFFFAOYSA-N	238.634	2.137	5	40	BEBB	
COC(=O)C(C)(C)c1ccc(F)cc1[N+](=O)[O-]	117669670	ZRBAZCYEWFXKLA-UHFFFAOYSA-N	241.218	2.185	5	40	BEBB	
CCC[N+](C)(C)CCOC(=O)c1ccccc1	1843139	IDTWVEKOVJIFLB-UHFFFAOYSA-N	236.335	2.330	5	40	BEBB	
CCC[C@@]1([N+]2(C)CCCC2)C[S@](=O)[C@@H]1CC	5179352	GNAHNCGQQCEKIG-XJKCOSOUSA-N	244.424	2.307	5	40	BEBB	
CCCC(=O)Nc1cccc([N+](=O)[O-])c1	492003	VXGYYWZDOBSZDA-UHFFFAOYSA-N	208.217	2.333	5	40	BEBB	
CCOC(=O)c1cc(C)nc(Cl)c1[N+](=O)[O-]	1870447	CWQHCQZATRDKSO-UHFFFAOYSA-N	244.634	2.128	5	40	BEBB	
CC(C)[C@@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	17055021	PKICZUUQWGXQGM-SECBINFHSA-N	236.271	2.369	5	40	BEBB	
COCc1noc(-c2cc([N+](=O)[O-])ccc2C)n1	78774855	KYPNUUJPTZSIAC-UHFFFAOYSA-N	249.226	2.100	5	40	BEBB	
O=[N+]([O-])C(c1cccc2ccccc12)[N+](=O)[O-]	102417986	XYRPHDOMFMIVSB-UHFFFAOYSA-N	232.195	2.392	5	40	BEBB	
O=[N+]([O-])c1ccn(Cc2ccc(F)cc2F)n1	71978618	CMGBCZZXEFBOLT-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
O=[N+]([O-])c1c(Br)nc2ccccn12	89201577	SQDPRJDCPOMMHF-UHFFFAOYSA-N	242.032	2.005	5	40	BEBB	
CCC1([N+](=O)[O-])COC([C@H]2CC=CCC2)OC1	1684084	GMZNSRWQVCUVEM-UNXYVOJBSA-N	241.287	2.141	5	40	BEBB	
Cc1nc2cc3ccccc3cc2c(=O)[nH]1	8677515	CYCCTYUWQCTYGY-UHFFFAOYSA-N	210.236	2.385	5	40	BEBB	aggregator
O=[N+]([O-])c1cccc(OCC(F)F)c1	20348950	BPPKMACCKQKGJG-UHFFFAOYSA-N	203.144	2.239	5	40	BEBB	
COc1ccc(CN(C)C(C)C)cc1[N+](=O)[O-]	69508436	VEOTYZTVNVEZDP-UHFFFAOYSA-N	238.287	2.444	5	40	BEBB	
O=[N+]([O-])c1cccc2ncnc(Cl)c12	95347691	DLSCGOLGMJZMMZ-UHFFFAOYSA-N	209.592	2.191	5	40	BEBB	in-vitro
CC[C@@H](O[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1	1665389	FGVIZJUFMNFQBO-SECBINFHSA-N	226.188	2.254	5	40	BEBB	
C[C@H]1C[N+](C)(C)[C@H](C)C[C@@]1(O)c1ccccc1	13510658	RDGIXPIEDMFNBB-GUTXKFCHSA-N	234.363	2.379	5	40	BEBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2CC=CC[C@H]2C1	17302743	WPNNLSNDLFUPAX-FKEKPDDDSA-N	238.419	2.125	5	40	BEBB	
O=[N+]([O-])c1c(Br)ccc2[nH]cnc12	21303890	DIXVWNMTELJZIY-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	
C/C(=C\c1cc(Cl)cc([N+](=O)[O-])c1O)CO	40545968	VMKYXPIAHLUFLX-QHHAFSJGSA-N	243.646	2.349	5	40	BEBB	
COc1cc(N)c([N+](=O)[O-])cc1C(F)(F)F	91252366	HJFCWKRMUCQYHF-UHFFFAOYSA-N	236.149	2.204	5	40	BEBB	
C[C@@H]1Cc2ccc(OCC[N+](C)(C)C)cc2C1=O	4777916	DXSNTTVDHPTUFI-LLVKDONJSA-N	248.346	2.147	5	40	BEBB	
c1ccc2nc3c(nc2c1)nc1ccccn13	11535671	HWQAREWPJPBYRJ-UHFFFAOYSA-N	220.235	2.431	5	40	BEBB	
CCc1cc(Br)ncc1[N+](=O)[O-]	32914771	WPVYXDXNMDQACF-UHFFFAOYSA-N	231.049	2.315	5	40	BEBB	
O=C1CCCC[C@@H]1[C@@H](C[N+](=O)[O-])C(F)(F)F	43464395	OIKQDKNGGZIECX-RNFRBKRXSA-N	239.193	2.201	5	40	BEBB	
C[N+](C)(C)CCO[C@H]1CCc2ccccc2C1	16248928	GYVDHBJFAIIIFO-HNNXBMFYSA-N	234.363	2.267	5	40	BEBB	
CCCOc1ccc(/C=C/[N+](=O)[O-])cc1N	1687855	YAQVIRWIUOLCPD-AATRIKPKSA-N	222.244	2.305	5	40	BEBB	
CCCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	2765388	GHYKZGICYMRAGB-VMPITWQZSA-N	234.255	2.134	5	40	BEBB	
O=[N+]([O-])c1cccc(F)c1N1CCCC1	67800535	QJQZIIGCNJGTMH-UHFFFAOYSA-N	210.208	2.334	5	40	BEBB	
CC(C)c1cc([N+](=O)[O-])c2oc(N)nc2c1	73642829	ATSNYYMOJMXNBE-UHFFFAOYSA-N	221.216	2.442	5	40	BEBB	
CCOCCOc1ccc(F)cc1[N+](=O)[O-]	69531058	HYYOSLMECCJCKP-UHFFFAOYSA-N	229.207	2.149	5	40	BEBB	
CCc1cc([N+](=O)[O-])ccc1NC(C)=O	4128010	ASOOAPOLRJYEQP-UHFFFAOYSA-N	208.217	2.116	5	40	BEBB	
CC(C)(C)OC(=O)c1ccc([N+](=O)[O-])cc1N	62823912	VJENZYUFPCZPPJ-UHFFFAOYSA-N	238.243	2.132	5	40	BEBB	
C[N@+]12CCCC[C@@H]1[C@H](CCCO)CCC2	245231895	MBZRGAYZZWRWKM-BFHYXJOUSA-N	212.357	2.168	5	40	BEBB	
O=[N+]([O-])[C@@H]1CC=CC[C@H]1c1ccc2c(c1)OCO2	1599794	WFPHZRSWFPQSHM-WDEREUQCSA-N	247.250	2.494	5	40	BEBB	
O=[N+]([O-])c1c(Cl)ccc2nsnc12	1736330	MSDMEVQEACHYNS-UHFFFAOYSA-N	215.621	2.253	5	40	BEBB	in-vitro
CCCNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1	4151048	ZGGRHAZHLVGWPF-UHFFFAOYSA-N	242.662	2.388	5	40	BEBB	
Cc1n[nH]cc1Nc1ccc([N+](=O)[O-])c(C)n1	95414868	CUFJIUHXZVLHFX-UHFFFAOYSA-N	233.231	2.073	5	40	BEBB	
Oc1cccc2nc3cccc(O)c3nc12	14651227	FSNHVRFXRAUXFJ-UHFFFAOYSA-N	212.208	2.194	5	40	BEBB	
O=c1[nH]c(=O)c2ccccc2c2ccccc12	333565	CHEIXKXUYLUNQK-UHFFFAOYSA-N	223.231	2.042	5	40	BEBB	
CCSc1cc([N+](=O)[O-])ccc1C(=O)O	3618375	WQYAONRUQVQXHA-UHFFFAOYSA-N	227.241	2.405	5	40	BEBB	
O=Cc1ccc(-c2ccc([N+](=O)[O-])cc2O)o1	98063952	CNPJMCSIMPSNCV-UHFFFAOYSA-N	233.179	2.373	5	40	BEBB	
Nc1cc(Br)c([N+](=O)[O-])cc1F	306708560	STSDYPMVCZQNAD-UHFFFAOYSA-N	235.012	2.079	5	40	BEBB	
CC(C)(C)N1O[C@@H]1c1ccc([N+](=O)[O-])o1	5082664	MEJLCTBWTWJBHM-HNHGDDPOSA-N	212.205	2.232	5	40	BEBB	
CN(C)[C@H]1[C@@H]([N+](C)(C)C)[C@@]2(C)CC[C@@H]1C2(C)C	3845983	HHDIWALGULTOCF-KYEXWDHISA-N	239.427	2.448	5	40	BEBB	
Cc1noc(/C=C\c2ccncc2)c1[N+](=O)[O-]	13483781	MRFNZEUJMSUGTE-IHWYPQMZSA-N	231.211	2.457	5	40	BEBB	
O=Cc1ccc([N+](=O)[O-])c(N2CCCC2)c1	95081365	NTDDAGQZSXRLOO-UHFFFAOYSA-N	220.228	2.008	5	40	BEBB	
C[C@@]1(c2ccccc2)OCO/C1=C\C[N+](C)(C)C	12402016	JPNCZPWWFQNQJI-LTBFUDJGSA-N	248.346	2.496	5	40	BEBB	
Cc1nc2nc(C(C)C)[nH]c2cc1[N+](=O)[O-]	206583311	GGIFKVNPWDZDDK-UHFFFAOYSA-N	220.232	2.298	5	40	BEBB	
CCOC(=O)c1ccc(C[N+](C)(CC)CC)o1	364049	UOYBSWAQUMZQFT-UHFFFAOYSA-N	240.323	2.443	5	40	BEBB	
O=[N+]([O-])c1ccc(-n2cccn2)c(Cl)c1	12398324	BZZVLVUYUHBQBZ-UHFFFAOYSA-N	223.619	2.434	5	40	BEBB	
COc1ccc(OC(F)F)cc1[N+](=O)[O-]	72193619	LNMYSNWCFMTLSZ-UHFFFAOYSA-N	219.143	2.205	5	40	BEBB	in-vitro
Cc1cc(C)c2ncc([N+](=O)[O-])c(O)c2c1	256050616	FURYJOMMPGACHN-UHFFFAOYSA-N	218.212	2.465	5	40	BEBB	
CC(C)NC(=O)Nc1ccccc1[N+](=O)[O-]	24233082	PLONQUZHJQIGCO-UHFFFAOYSA-N	223.232	2.125	5	40	BEBB	in-vitro
Nc1c(F)ccc(Br)c1[N+](=O)[O-]	37594159	KGTCOMBNHUTKGY-UHFFFAOYSA-N	235.012	2.079	5	40	BEBB	
O=[N+]([O-])c1ccc(F)c([C@H](O)C(F)(F)F)c1	1536129418	WJBQRJMSACCALO-ZETCQYMHSA-N	239.124	2.330	5	40	BEBB	
O=C(O)CCc1c[nH]c2c([N+](=O)[O-])cccc12	1857793200	GGOXAZDASDQPRL-UHFFFAOYSA-N	234.211	2.093	5	40	BEBB	
Nc1ccc(OCC(F)(F)F)c([N+](=O)[O-])c1	16159535	VHMREJURVUPZCH-UHFFFAOYSA-N	236.149	2.118	5	40	BEBB	
Cc1cccnc1CNc1ncccc1[N+](=O)[O-]	69740566	QJBMRXDBXOAJPJ-UHFFFAOYSA-N	244.254	2.305	5	40	BEBB	
NCCOc1cccc2nc3ccccc3nc12	85392270	WFXDZOOKBOCVOF-UHFFFAOYSA-N	239.278	2.121	5	40	BEBB	
CCOc1c([N+](=O)[O-])c(=O)oc2ccccc12	244299	QVXLOOZQQZPRCI-UHFFFAOYSA-N	235.195	2.100	5	40	BEBB	
CSc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	4666742	FPQZEMWHBRWPLQ-UHFFFAOYSA-N	214.202	2.225	5	40	BEBB	
COCC[C@H](C)Nc1ccccc1[N+](=O)[O-]	45022731	ZSVJZBNXMMEZSK-VIFPVBQESA-N	224.260	2.432	5	40	BEBB	
CSCCCNCc1ccc([N+](=O)[O-])cc1	1576403	KFVZNVSNFIJBPR-UHFFFAOYSA-N	240.328	2.438	5	40	BEBB	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CN(C)C	1719414	KFJWUQVRJLJPGL-UHFFFAOYSA-N	233.271	2.446	5	40	BEBB	
C[N+]1(Cc2ccccc2)[C@@H]2CC[C@@H](O)[C@H]1CC2	5551303	MIAWZSDZBSMXLM-BZZKYOCZSA-N	232.347	2.319	5	40	BEBB	
O=[N+]([O-])c1cc(Br)cs1	15782966	IIUDHAXXFFPBFD-UHFFFAOYSA-N	208.036	2.419	5	40	BEBB	
Cc1c[nH]c2ncc([N+](=O)[O-])c(Cl)c12	238557728	DSFUDLWLGUPYPH-UHFFFAOYSA-N	211.608	2.433	5	40	BEBB	
CCN(CC)C(=O)c1ccc(C)c([N+](=O)[O-])c1	304594	FHVTZDGKZDAVMG-UHFFFAOYSA-N	236.271	2.385	5	40	BEBB	
O=[N+]([O-])c1ccc2nc(S)[nH]c(=S)c2c1	3589302	NKDACMNNKDCSOT-UHFFFAOYSA-N	239.281	2.489	5	40	BEBB	
CN1[C@H]2CCCC[C@@H]1[C@@H]1CC[C@@H]2CC[N+]1(C)C	101042739	MIQFXIAZYJXPSD-BARDWOONSA-N	237.411	2.488	5	40	BEBB	
O=C(O)c1ccc2nc3ccccc3nc2c1	4336732	LFDLISNVRKBBAW-UHFFFAOYSA-N	224.219	2.481	5	40	BEBB	
CCc1noc(COc2ccccc2[N+](=O)[O-])n1	36397247	MHBQVGXQMPALFE-UHFFFAOYSA-N	249.226	2.119	5	40	BEBB	
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCCC1	202438	YLUJMEVKOOGTDN-XJFOESAGSA-N	224.368	2.166	5	40	BEBB	
CC(=O)Nc1nc([N+](=O)[O-])c(C(C)C)s1	5664648	MQJYZAARBLQFHC-UHFFFAOYSA-N	229.261	2.133	5	40	BEBB	
Cc1ncc([N+](=O)[O-])n1Cc1ccccc1F	205401	SSTNQMGQXDUGIA-UHFFFAOYSA-N	235.218	2.287	5	40	BEBB	
C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)O1	4361865	ZZBYVKYAISMKDR-NXEZZACHSA-N	236.271	2.208	5	40	BEBB	
CCCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	4676540	CMCACCXEQJERIG-UHFFFAOYSA-N	236.271	2.433	5	40	BEBB	
CCCc1ccc(C(=O)O)cc1[N+](=O)[O-]	34577565	GXRWLPVXYJGNTK-UHFFFAOYSA-N	209.201	2.246	5	40	BEBB	
COc1cc(C)nc(SC)c1[N+](=O)[O-]	39149702	ISYXCVKTDGNPKE-UHFFFAOYSA-N	214.246	2.029	5	40	BEBB	
CCOc1ncc([N+](=O)[O-])cc1Br	21981940	DWFSXOCGFPCFBC-UHFFFAOYSA-N	247.048	2.151	5	40	BEBB	
CCCCCC[C@@H](C[N+](=O)[O-])OC(C)=O	1634219	WGLPWYQGGICBOF-JTQLQIEISA-N	217.265	2.165	5	40	BEBB	
Cc1ccc(Oc2ccc([N+](=O)[O-])cn2)cn1	49099843	ZSKGVSMKMUVSLD-UHFFFAOYSA-N	231.211	2.486	5	40	BEBB	
C[C@@]1(CNc2ccccc2[N+](=O)[O-])CCOC1	79089939	JBZHQUCYIXFDMA-LBPRGKRZSA-N	236.271	2.433	5	40	BEBB	
CCCSc1nc(N)c([N+](=O)[O-])c(Cl)n1	91296974	HYPNPORTLYFXRF-UHFFFAOYSA-N	248.695	2.123	5	40	BEBB	
C[C@H]1C[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	97021276	FQJXQCYXIHCFHX-GZMMTYOYSA-N	234.255	2.214	5	40	BEBB	
C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O	2526132	MGSNRRSHOLDFTO-RXMQYKEDSA-N	245.618	2.100	5	40	BEBB	
CC(=O)Nc1cc(OC(F)F)ccc1[N+](=O)[O-]	5446584	QNCUIMVJRMYIAN-UHFFFAOYSA-N	246.169	2.155	5	40	BEBB	
Nc1nc(Cc2cccc([N+](=O)[O-])c2)cs1	54019	ZVYPFOSTZNZAKC-UHFFFAOYSA-N	235.268	2.224	5	40	BEBB	
C[C@H]1OC(c2cccc([N+](=O)[O-])c2)O[C@@H]1C	1679846	SJZKKJDKHOYPBP-HTQZYQBOSA-N	223.228	2.417	5	40	BEBB	
O=[N+]([O-])c1ccc(Cl)cc1C1OCCO1	1697920	DIFXNVWJJDJCCO-UHFFFAOYSA-N	229.619	2.294	5	40	BEBB	
CN(C)[C@@H]1[C@H]([N+](C)(C)C)[C@H]2CC[C@@]1(C)C2(C)C	100364819	RLYOCQKBFBQTAD-RGCMKSIDSA-N	239.427	2.448	5	40	BEBB	
CCOc1cc(/C=C\[N+](=O)[O-])ccc1O	6234025	GAJIQLKTZKVZAJ-WAYWQWQTSA-N	209.201	2.038	5	40	BEBB	
C[C@@]1(O)CCCN(c2sccc2[N+](=O)[O-])C1	95986701	QWEXDIKGLLCXAL-SNVBAGLBSA-N	242.300	2.008	5	40	BEBB	
Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1CO	216778157	MGSJIBOZLIFOOA-UHFFFAOYSA-N	231.635	2.063	5	40	BEBB	
Cc1c(Br)cc(CO)cc1[N+](=O)[O-]	199712999	ROYXJGQEOBWMQJ-UHFFFAOYSA-N	246.060	2.158	5	40	BEBB	
CSc1nc2cc([N+](=O)[O-])ccc2n1C	278542	WBYFHTRKPNEIAX-UHFFFAOYSA-N	223.257	2.203	5	40	BEBB	
Cc1ccc2c(ccc3nc(N)nc(N)c32)c1	1722910	UXOUKCFOWHPRDM-UHFFFAOYSA-N	224.267	2.256	5	40	BEBB	
COc1nc(C(F)(F)F)ccc1[N+](=O)[O-]	40448151	NDLISMVDKRLKEN-UHFFFAOYSA-N	222.122	2.017	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)[C@](O)(C(F)(F)F)CC2	1772715284	PBCMSSUIKXUHHC-VIFPVBQESA-N	247.172	2.291	5	40	BEBB	
Cc1nc(Cl)c([N+](=O)[O-])c(NC(C)C)n1	4807029	LDRCOYACNWCIRQ-UHFFFAOYSA-N	230.655	2.167	5	40	BEBB	
O=c1c2ccc(O)cc2oc2cc(O)cc(O)c12	14821941	WRIILVBYWBDSMT-UHFFFAOYSA-N	244.202	2.063	5	40	BEBB	
O=[N+]([O-])c1cc(C(F)F)c(F)cc1O	575629471	YSWTUKKVCNOEQN-UHFFFAOYSA-N	207.107	2.377	5	40	BEBB	
CCc1[nH]c2cc([N+](=O)[O-])ccc2c(=O)c1C	685938681	ZLIKWTKOTNIVQN-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
CC(C)COc1ccc([N+](=O)[O-])cc1C=O	34937344	VSHUEZCTZHINBE-UHFFFAOYSA-N	223.228	2.442	5	40	BEBB	
COc1c(F)c(F)c([N+](=O)[O-])c(F)c1F	1512539	HIOCAQUUJNGLPF-UHFFFAOYSA-N	225.097	2.160	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1OC1CCC1)OCO2	217725310	VTQVMNBIFOCCAM-UHFFFAOYSA-N	237.211	2.255	5	40	BEBB	
O=C(O)CCc1c[nH]c2cc([N+](=O)[O-])ccc12	108257646	YWRBQVFQQYVDMR-UHFFFAOYSA-N	234.211	2.093	5	40	BEBB	
CN(C)[C@@H]1[C@H]([N+](C)(C)C)[C@@H]2CC[C@@]1(C)C2(C)C	3845982	RLYOCQKBFBQTAD-KYEXWDHISA-N	239.427	2.448	5	40	BEBB	
O=[N+]([O-])c1cccc2[nH]nc(Br)c12	14983387	BKYFEBHLYKLAJH-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	
O=[N+]([O-])c1ccc(O)c(-c2cccnc2)c1	40457348	RRPRRUOQKACXIE-UHFFFAOYSA-N	216.196	2.362	5	40	BEBB	
Nc1ccc(OCC(F)(F)F)cc1[N+](=O)[O-]	59137232	IBGOUNGPWVVCMU-UHFFFAOYSA-N	236.149	2.118	5	40	BEBB	
CS[C@@]1(C)C(=O)Nc2cc([N+](=O)[O-])ccc21	1869951	USUBQHOXUOPTCG-SNVBAGLBSA-N	238.268	2.125	5	40	BEBB	
Cc1ccn(-c2ccccc2[N+](=O)[O-])n1	504470	KCGSLTPLJHRURK-UHFFFAOYSA-N	203.201	2.089	5	40	BEBB	
CCc1c(C)[nH]c2c([N+](=O)[O-])cccc2c1=O	685938230	MDBMHIIMOBJHEV-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
O=CNc1ccc2c(c1)[nH]c(=O)c1ccccc12	16954091	ALVMHQKOGCENAY-UHFFFAOYSA-N	238.246	2.250	5	40	BEBB	
CCOP(=O)(OCC)[C@H](CC)[N+](=O)[O-]	2045543	UCVFMTDYGKKVPT-SSDOTTSWSA-N	225.181	2.265	5	40	BEBB	
O=[N+]([O-])c1ccccc1[C@H](O)Cc1ccccn1	8581588	UVXFYWFBIYUTGZ-CYBMUJFWSA-N	244.250	2.266	5	40	BEBB	
Cc1c(Cl)cc(NC(N)=S)cc1[N+](=O)[O-]	26508621	OZWTZIDIWHZWMD-UHFFFAOYSA-N	245.691	2.212	5	40	BEBB	
Cc1ccc(CNC2CC2)cc1[N+](=O)[O-]	34995046	HWUHBZSQZDCUDJ-UHFFFAOYSA-N	206.245	2.155	5	40	BEBB	
Cc1cn(Cc2ccccc2)nc1[N+](=O)[O-]	95836801	XOMNQNRWUFEIOV-UHFFFAOYSA-N	217.228	2.148	5	40	BEBB	
Cc1cc(C(=O)NC(C)C)ccc1[N+](=O)[O-]	284811	GXBHGDDFHQVUIA-UHFFFAOYSA-N	222.244	2.041	5	40	BEBB	
O=C(Oc1ccco1)c1ccc([N+](=O)[O-])cc1	1843183	WAMZEQZVDOMZFT-UHFFFAOYSA-N	233.179	2.407	5	40	BEBB	
CCCCO[C@H]1OC[N+](C)(C)CC1(C)C	5640422	CGMXUPIKXVRGAJ-NSHDSACASA-N	216.345	2.220	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1C(F)F)OCO2	73641074	RITZBTSJLNRQRI-UHFFFAOYSA-N	217.127	2.261	5	40	BEBB	
CCNc1cc(Cl)ncc1[N+](=O)[O-]	90469390	SLDBDKBNMNGEOG-UHFFFAOYSA-N	201.613	2.075	5	40	BEBB	
Cc1cc(N[C@@H](C)CO)c(Cl)cc1[N+](=O)[O-]	91013369	OOZXGFUSHCJNBM-ZETCQYMHSA-N	244.678	2.349	5	40	BEBB	
C[C@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1	32906612	DHTAANNPXLXJIU-SECBINFHSA-N	248.282	2.465	5	40	BEBB	
COC(=O)c1cc(Cl)c(OC)c([N+](=O)[O-])c1	20227888	QXXWNSCAKZQLRB-UHFFFAOYSA-N	245.618	2.043	5	40	BEBB	
CCS(=O)(=O)/C=C/c1ccc([N+](=O)[O-])cc1	96510037	YEUPDLGFSKWHIB-BQYQJAHWSA-N	241.268	2.000	5	40	BEBB	
CN(C)[C@H]1[C@H]([N+](C)(C)C)[C@H]2CC[C@@]1(C)C2(C)C	245240683	RLYOCQKBFBQTAD-GUIRCDHDSA-N	239.427	2.448	5	40	BEBB	
CC(C)CNc1ccc([N+](=O)[O-])cc1C(=O)O	19844611	JUGBBGYBRHAMGQ-UHFFFAOYSA-N	238.243	2.361	5	40	BEBB	
Cc1c([N+](=O)[O-])ccc(Cl)c1[N+](=O)[O-]	33800490	NKYUYBKDVYCJMW-UHFFFAOYSA-N	216.580	2.465	5	40	BEBB	
CC1=Nc2cccc([N+](=O)[O-])c2NC(=O)C1	100088481	QXJIZBSAEXMJRQ-UHFFFAOYSA-N	219.200	2.029	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@H]2C3=O)CCCCC1	135675708	JDBUIALORGDZRH-XQQFMLRXSA-N	222.352	2.375	5	40	BEBB	
O=[N+]([O-])c1ccc([C@@H](O)C(F)(F)F)cc1	34618052	UQFMTXANBPARMP-SSDOTTSWSA-N	221.134	2.191	5	40	BEBB	in-vitro
Cc1cc(N)nc2ccc([N+](=O)[O-])cc12	85399096	AGXNZSRBMMYQOS-UHFFFAOYSA-N	203.201	2.034	5	40	BEBB	
CC(C)Nc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	390823301	YKPUATMSSSUSJS-UHFFFAOYSA-N	243.194	2.462	5	40	BEBB	
CNC(=O)Sc1ccc([N+](C)(C)C)cc1	1595031	KQCSHGYTCPPICG-UHFFFAOYSA-O	225.337	2.315	5	40	BEBB	
CCCNc1ccc([N+](=O)[O-])cc1C(=O)OC	9482537	AIRSGVVWVFXTPO-UHFFFAOYSA-N	238.243	2.203	5	40	BEBB	
C[N+]1(Cc2ccccc2)[C@H]2CC[C@@H]1CC(O)C2	12403008	BSGSJFKWCAYJRL-PJPHBNEVSA-N	232.347	2.319	5	40	BEBB	
Cc1cc(C)c2ccc(O)c([N+](=O)[O-])c2n1	85385452	VEQFJBSUFFCICP-UHFFFAOYSA-N	218.212	2.465	5	40	BEBB	
O=c1ccoc2c(Cl)ccc([N+](=O)[O-])c12	381743	DMGBMLWYQJCFDG-UHFFFAOYSA-N	225.587	2.355	5	40	BEBB	
Cc1nn(C)c(C)c1Nc1ncccc1[N+](=O)[O-]	7039893	UVURNBRXKKNNIT-UHFFFAOYSA-N	247.258	2.084	5	40	BEBB	
CSCC(=O)c1ccc([N+](=O)[O-])cc1	38064031	GALWIKSQKZPBGJ-UHFFFAOYSA-N	211.242	2.141	5	40	BEBB	
O=[N+]([O-])c1cccc(Cl)c1-n1ccnc1	12396455	DNNPDLCUXNJETR-UHFFFAOYSA-N	223.619	2.434	5	40	BEBB	
O=[N+]([O-])c1cc2ccccc2nc1S	26441131	CDVYFVGSQPVDSR-UHFFFAOYSA-N	206.226	2.432	5	40	BEBB	
COc1cccc([N+](=O)[O-])c1OC(F)F	72209463	SYGYZNHTUKHJPI-UHFFFAOYSA-N	219.143	2.205	5	40	BEBB	
Cc1nn(C)c(NC2CCCCC2)c1[N+](=O)[O-]	6680240	HHSDENXVCVLABS-UHFFFAOYSA-N	238.291	2.381	5	40	BEBB	
CCc1nccn1-c1ccc([N+](=O)[O-])cc1	72334129	JQUFPCSSGFKPKG-UHFFFAOYSA-N	217.228	2.343	5	40	BEBB	
O=Cc1ccc(OC(F)(F)F)c([N+](=O)[O-])c1	138291897	UAYUUOJRQXQGRD-UHFFFAOYSA-N	235.117	2.306	5	40	BEBB	
CC(=O)Nc1ccc(C)c([N+](=O)[O-])c1C	346006	UCPGMSZAKZKWRS-UHFFFAOYSA-N	208.217	2.170	5	40	BEBB	
Cc1nc(-c2cccc([N+](=O)[O-])c2)cn1C	4677608	HXIGYDSFZCACDU-UHFFFAOYSA-N	217.228	2.304	5	40	BEBB	
O=[N+]([O-])c1cnc2[nH]cc(Br)c2c1	44712789	SWFSTNNKVGMXMO-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	in-vitro
OCc1cccc2nc3ccccc3nc12	60132437	AZHHMHCLJRTSAU-UHFFFAOYSA-N	210.236	2.275	5	40	BEBB	
O=C(O)C/C=C/c1ccc([N+](=O)[O-])cc1	62710418	JNQYAPRGRJRFPZ-OWOJBTEDSA-N	207.185	2.083	5	40	BEBB	
CCOC(=O)c1c(C)cc(C)cc1[N+](=O)[O-]	199815843	GNIQRZPTZCNZJI-UHFFFAOYSA-N	223.228	2.388	5	40	BEBB	
CCOc1cccc2c(O)c([N+](=O)[O-])cnc12	256050588	FQROIPOADLAWHW-UHFFFAOYSA-N	234.211	2.247	5	40	BEBB	
O=[N+]([O-])c1c[nH]c2nccc(Br)c12	16678068	BEPFGDZUAZYOHN-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	
CC(C)(C)c1cc(C(=O)O)c(O)c([N+](=O)[O-])c1	34782378	CRSVQLBOXZQCET-UHFFFAOYSA-N	239.227	2.296	5	40	BEBB	
Nc1ccc2c(=O)c3ccccc3[nH]c2c1	5117497	BTHAAMLEAPQIGA-UHFFFAOYSA-N	210.236	2.264	5	40	BEBB	
O=[N+]([O-])c1cc(CO)cc(C(F)(F)F)c1	59673005	WSIIHVBSVSJXMQ-UHFFFAOYSA-N	221.134	2.106	5	40	BEBB	in-vitro
CC(C)Oc1cc2[nH]ncc2cc1[N+](=O)[O-]	77045797	MDLTVYZCSSUQJR-UHFFFAOYSA-N	221.216	2.258	5	40	BEBB	
O=[N+]([O-])c1ccc(-n2nnc3ccccc32)cc1	12395598	QRYSKDXYSIEGOF-UHFFFAOYSA-N	240.222	2.329	5	40	BEBB	
O=[N+]([O-])c1c[nH]nc1-c1ccc(F)cc1F	42415212	VOFNGLCKHCAJHL-UHFFFAOYSA-N	225.154	2.263	5	40	BEBB	
COc1ccc([N+](=O)[O-])cc1OC(F)F	59137282	JIHPCRDGMVWPKO-UHFFFAOYSA-N	219.143	2.205	5	40	BEBB	
O=[N+]([O-])c1cn(CCCc2ccccc2)cn1	69460462	NFBWJFUUFUJMPB-UHFFFAOYSA-N	231.255	2.424	5	40	BEBB	
COc1cc2c(cc1OC)[C@H](C)[N+](C)(C)CC2	1877733	FCEQHORQQAMDBR-JTQLQIEISA-N	236.335	2.397	5	40	BEBB	biogenic
O=[N+]([O-])c1ncccc1OCCC(F)(F)F	71810201	HXBKWYLESFBHEC-UHFFFAOYSA-N	236.149	2.321	5	40	BEBB	
O=[N+]([O-])c1cccc2[nH]c(C(F)F)nc12	90210485	GPAZUAMCYHRIGA-UHFFFAOYSA-N	213.143	2.409	5	40	BEBB	
O=[N+]([O-])c1cc(F)c(OC(F)(F)F)cc1O	98210996	QFIBSIIHEBRIER-UHFFFAOYSA-N	241.096	2.338	5	40	BEBB	
CCOc1cc(F)c([N+](=O)[O-])cc1[N+](=O)[O-]	1769046	HPPIQFLOPHCFBP-UHFFFAOYSA-N	230.151	2.041	5	40	BEBB	
CCOCCOc1ccc([N+](=O)[O-])cc1C	96007493	JJOQVPQBMURCQL-UHFFFAOYSA-N	225.244	2.319	5	40	BEBB	
CC1CCN(c2ccc([N+](=O)[O-])nc2)CC1	72522150	ARKCBYGZLVRECL-UHFFFAOYSA-N	221.260	2.226	5	40	BEBB	
O=[N+]([O-])c1ccc(Oc2cccnc2)nc1	92642	HFQSZQIHXXVQGG-UHFFFAOYSA-N	217.184	2.177	5	40	BEBB	
COc1cc([N+](=O)[O-])c2ncccc2c1OC	178063	HDOJSHDBNBHDIM-UHFFFAOYSA-N	234.211	2.160	5	40	BEBB	in-vitro
COc1ccc([N+](=O)[O-])c2cccnc12	323050	TUICZSFZAWPHQN-UHFFFAOYSA-N	204.185	2.152	5	40	BEBB	in-vitro
Cc1cccc(Cn2c([N+](=O)[O-])cnc2C)c1	4912795	SCSRGORRTDOFSD-UHFFFAOYSA-N	231.255	2.456	5	40	BEBB	
O=c1c2cccc(O)c2oc2cccc(O)c12	15118974	APIPFXZYOMIJQG-UHFFFAOYSA-N	228.203	2.357	5	40	BEBB	endogenous,in-man
O=[N+]([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@H]1c1ccco1	5889054	GJUPVGNLPWPQKP-IFFSRLJSSA-N	205.213	2.214	5	40	BEBB	
CSc1nc2cc([N+](=O)[O-])ccc2o1	8700463	HRELECNTXGCNGC-UHFFFAOYSA-N	210.214	2.458	5	40	BEBB	
COc1cc(C)c(C[N+](C)(C)C)c(OC)c1	1664065	UBNRPJJQNGJXMV-UHFFFAOYSA-N	224.324	2.218	5	40	BEBB	
CCOC(=O)CSc1ccsc1[N+](=O)[O-]	3030190	SHRJBMUOCJSSNP-UHFFFAOYSA-N	247.297	2.312	5	40	BEBB	
CC(C)NC(=O)[C@@H](C)c1ccc([N+](=O)[O-])cc1	579972	OJORIPCAVZVZRG-VIFPVBQESA-N	236.271	2.223	5	40	BEBB	
O=[N+]([O-])c1cc(F)cc(OC(F)F)c1	47203267	RBUWSXUUPDOWQL-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	
NC(=O)c1ccc(NC2CCCC2)c([N+](=O)[O-])c1	6923027	XKICBDATFCLJBS-UHFFFAOYSA-N	249.270	2.048	5	40	BEBB	
O=[N+]([O-])c1ccc(-c2nnc3n2CCCC3)cc1	72334188	JGQJMPXZZWWZTP-UHFFFAOYSA-N	244.254	2.190	5	40	BEBB	
CNc1ccc2nc3ccccc3[n+](C)c2c1	3897506	TYWBPEJQINSBBI-UHFFFAOYSA-O	224.287	2.254	5	40	BEBB	
COc1cc([N+](=O)[O-])c2ncccc2c1[N+](=O)[O-]	5495418	PJTNDEYGQDPRNS-UHFFFAOYSA-N	249.182	2.060	5	40	BEBB	
CC[C@H]1COC(=O)N1c1ccc([N+](=O)[O-])cc1	26897105	NLJGIZLFPORZNC-QMMMGPOBSA-N	236.227	2.330	5	40	BEBB	
CCn1nccc1COc1ccc([N+](=O)[O-])cc1	72209592	HYGPGGDMVQCAKB-UHFFFAOYSA-N	247.254	2.390	5	40	BEBB	
C[N+]1([C@H]2CC[C@H]3CC[C@@H]2[C@H]3O)CCCCC1	101138249	YLUJMEVKOOGTDN-RFGFWPKPSA-N	224.368	2.166	5	40	BEBB	
CC(=O)Nc1c(C)cc(F)cc1[N+](=O)[O-]	44676161	SXWXRACCNAGROO-UHFFFAOYSA-N	212.180	2.001	5	40	BEBB	in-vitro
CC(C)(C)c1cc(C=O)c(O)c([N+](=O)[O-])c1	63926344	BZOUYFMRPKMAOP-UHFFFAOYSA-N	223.228	2.410	5	40	BEBB	
CCC[C@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1	4704363	PUUALUYQFODUBU-LURJTMIESA-N	243.288	2.426	5	40	BEBB	
O=[N+]([O-])c1cc(Cl)c2n[nH]nc2c1Cl	73634811	VABPDGLGGHBSLX-UHFFFAOYSA-N	233.014	2.173	5	40	BEBB	
CCOc1ccc(/C=C/[N+](=O)[O-])cc1[N+](=O)[O-]	1687850	SVHACGISGKTTRQ-AATRIKPKSA-N	238.199	2.241	5	40	BEBB	
CC(=O)Nc1cc2c([N+](=O)[O-])cccc2o1	5291466	QAROPRVUJBMRMM-UHFFFAOYSA-N	220.184	2.299	5	40	BEBB	
CN(C)c1ccc([N+](=O)[O-])c2cccnc12	4017773	PLVYZUHJIZHLQZ-UHFFFAOYSA-N	217.228	2.209	5	40	BEBB	
CC(=O)Nc1ccc(N2CCCC2)c([N+](=O)[O-])c1	4622726	UTPLZMZXGBGQGZ-UHFFFAOYSA-N	249.270	2.153	5	40	BEBB	
O=[N+]([O-])c1ccc(CNCc2ccco2)cc1	5522322	VNUBGWPQRFDTPY-UHFFFAOYSA-N	232.239	2.478	5	40	BEBB	
O=[N+]([O-])c1ccccc1[C@H](O)C(F)(F)F	39054613	ABHAFAQMIBXHIR-ZETCQYMHSA-N	221.134	2.191	5	40	BEBB	
O=[N+]([O-])CCCC(F)(F)C(F)(F)F	1857793913	UXAUMNIUGUQOSI-UHFFFAOYSA-N	207.098	2.241	5	40	BEBB	
CCC(CC)C(=O)Nc1ncc([N+](=O)[O-])s1	6309464	IKYXMTLHYCKSNQ-UHFFFAOYSA-N	243.288	2.426	5	40	BEBB	
O=[N+]([O-])c1ccc(-c2nc(Cl)n[nH]2)cc1	59386660	YEINSCGHKMFRGU-UHFFFAOYSA-N	224.607	2.033	5	40	BEBB	
O=[N+]([O-])c1cc(C(F)(F)F)cc2c1CCNC2	30678444	ZJIALSASTQNZBG-UHFFFAOYSA-N	246.188	2.259	5	40	BEBB	
COc1cc([N+](=O)[O-])cc(Cl)c1N(C)C	45958903	HQIJOCQYKXCORE-UHFFFAOYSA-N	230.651	2.323	5	40	BEBB	
CCCc1nc2ccc([N+](=O)[O-])cc2[nH]1	13111622	YPWVUEVXSQTBCL-UHFFFAOYSA-N	205.217	2.424	5	40	BEBB	
CNc1ncc(C(F)(F)F)cc1[N+](=O)[O-]	19735110	UFFBYIGPCGICNB-UHFFFAOYSA-N	221.138	2.050	5	40	BEBB	in-vitro
COC(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1	26508317	ZBLLUDZWJWIWIU-UHFFFAOYSA-N	229.619	2.343	5	40	BEBB	
COC(=O)c1cc(-c2ccc([N+](=O)[O-])cc2)no1	266315	LDMFHKPYABXOLR-UHFFFAOYSA-N	248.194	2.036	5	40	BEBB	
Cc1nc(COc2cccc([N+](=O)[O-])c2C)no1	47355440	KMJHFFKGXGFESB-UHFFFAOYSA-N	249.226	2.174	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@@H]2C3=O)CCCCC1	100756920	JDBUIALORGDZRH-AVGNSLFASA-N	222.352	2.375	5	40	BEBB	
O=[N+]([O-])c1cnn(-c2nc3ccccc3s2)c1	40216552	NYUGIFIBHGTJKH-UHFFFAOYSA-N	246.251	2.390	5	40	BEBB	
CC(C)(C)N1O[C@H]1c1ccc([N+](=O)[O-])o1	1716565	MEJLCTBWTWJBHM-PEHGTWAWSA-N	212.205	2.232	5	40	BEBB	
Cc1ccc(OC[C@H]2CCOC2)cc1[N+](=O)[O-]	95438578	DGEUHRQGHZMOOJ-JTQLQIEISA-N	237.255	2.319	5	40	BEBB	
COC(=O)c1cc(Cl)c(F)c([N+](=O)[O-])c1	168980887	LUDBPTPUJJKDHJ-UHFFFAOYSA-N	233.582	2.174	5	40	BEBB	
COC(=O)CCSc1sccc1[N+](=O)[O-]	67802495	VKKAMKRVCXCYJF-UHFFFAOYSA-N	247.297	2.312	5	40	BEBB	
CC(C)[C@@H](CCO)Nc1ccc([N+](=O)[O-])cc1	76061342	IDGJQCITPRJBEY-GFCCVEGCSA-N	238.287	2.414	5	40	BEBB	
CCOC(=O)/C=C/c1cc([N+](=O)[O-])ccc1F	72190694	MIOPWTLOGXFJHE-ZZXKWVIFSA-N	239.202	2.310	5	40	BEBB	
COc1cc(-c2ccc(CO)o2)cc([N+](=O)[O-])c1	8731416	SCCMHVJDFUMVOU-UHFFFAOYSA-N	249.222	2.356	5	40	BEBB	
O=Cc1ccc(OC(F)F)c([N+](=O)[O-])c1	36723390	UCNDXESPXKOMEU-UHFFFAOYSA-N	217.127	2.009	5	40	BEBB	
CNc1c([N+](=O)[O-])ccc2ncccc12	77311714	SCDZLERYDDUVLX-UHFFFAOYSA-N	203.201	2.185	5	40	BEBB	in-vitro
Cc1cc(-c2nc(C=O)co2)ccc1[N+](=O)[O-]	90669469	MBWREJUWQSAKCM-UHFFFAOYSA-N	232.195	2.371	5	40	BEBB	
C[C@@H]1Sc2cc([N+](=O)[O-])ccc2NC1=O	95644354	XQHCKOUSAZSTBR-YFKPBYRVSA-N	224.241	2.028	5	40	BEBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)O	3886821	GFWRJXGWOSGFEZ-UHFFFAOYSA-N	238.243	2.139	5	40	BEBB	
COc1cc(-c2ncc[nH]2)c([N+](=O)[O-])cc1OC	585656400	UUKNMZRLOMVTGA-UHFFFAOYSA-N	249.226	2.002	5	40	BEBB	
C[N+]12CCC(CC1)[C@H](C(=O)c1ccsc1)C2	547455	LKRZDMLPPGYLEO-KSGYAGIASA-N	236.360	2.417	5	40	BEBB	
N[C@H](c1ccc([N+](=O)[O-])cc1)C(F)(F)F	72194825	RXNATEYXVVXZPI-SSDOTTSWSA-N	220.150	2.157	5	40	BEBB	
Cc1cc([N+](=O)[O-])c2nc(O)sc2c1	73638448	HPXURDAFWHWBES-UHFFFAOYSA-N	210.214	2.219	5	40	BEBB	
C[C@@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1	2164962	OOYGSZSFZAVHDA-ZETCQYMHSA-N	209.201	2.173	5	40	BEBB	
O=c1c2ccccc2oc2c(O)ccc(O)c12	4104790	YVXJETAOWDKWOW-UHFFFAOYSA-N	228.203	2.357	5	40	BEBB	biogenic,in-vitro
O=[N+]([O-])c1cccc(/C=C2\N=C(S)N=C2O)c1	6926153	YLAMPWFIFGRNCQ-YVMONPNESA-N	249.251	2.192	5	40	BEBB	aggregator
C[C@@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])cn2)C1	22797016	NBGYDISBOSWHNO-NXEZZACHSA-N	235.287	2.472	5	40	BEBB	
Cc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1	36379531	USPMRIWEEJXOOE-UHFFFAOYSA-N	219.200	2.262	5	40	BEBB	in-vitro
O=[N+]([O-])c1[nH]cnc1NC1CCCCC1	4468968	KNHWHIMTNJPFPE-UHFFFAOYSA-N	210.237	2.063	5	40	BEBB	
Cc1ccc(CNC(C)C)cc1[N+](=O)[O-]	34994416	LBCMEWHIYWNBDX-UHFFFAOYSA-N	208.261	2.401	5	40	BEBB	
Cc1cnc([N+](=O)[O-])c(Br)c1	71254861	BFROVGPWCJKUPJ-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
OC[C@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1	4090288	RTNPHJYOQAZHEN-QMRHZFGWSA-N	248.346	2.252	5	40	BEBB	
CCCNC(=O)Nc1cccc([N+](=O)[O-])c1C	58619672	BGIGCRDLSWXJTD-UHFFFAOYSA-N	237.259	2.435	5	40	BEBB	
Cc1c(N)c(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	3163906	ASMQRJJKFPFKTB-UHFFFAOYSA-N	225.204	2.010	5	40	BEBB	
Cn1cccc1C(=O)c1ccc([N+](=O)[O-])cc1	3166303	BCYUCOTXUBWXBX-UHFFFAOYSA-N	230.223	2.164	5	40	BEBB	
O=S=Nc1ccc([N+](=O)[O-])cc1Cl	5328494	CDHCITMKSUBJOP-UHFFFAOYSA-N	218.621	2.276	5	40	BEBB	
Cc1nc2cccc([N+](=O)[O-])c2nc1C	5537432	QHMHMLRPHQIGIS-UHFFFAOYSA-N	203.201	2.155	5	40	BEBB	
Cc1cccc(-c2cc(N)on2)c1[N+](=O)[O-]	1535818163	RSZJWQRBIJPANR-UHFFFAOYSA-N	219.200	2.140	5	40	BEBB	
O=[N+]([O-])c1cccc(O)c1C(F)(F)F	97212627	LAMAMUQIIAELJR-UHFFFAOYSA-N	207.107	2.319	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc([C@H](O)C(F)(F)F)cc1	34618050	UQFMTXANBPARMP-ZETCQYMHSA-N	221.134	2.191	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc2ccc3cccc[n+]3c2c1	239563098	WGVTVHXHSYOKBB-UHFFFAOYSA-N	225.227	2.487	5	40	BEBB	
Cc1c(Cl)cc([N+](=O)[O-])c(O)c1[N+](=O)[O-]	1627228	AFCDPZSIDUTRIX-UHFFFAOYSA-N	232.579	2.170	5	40	BEBB	
C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1	44345876	LCLHRJYTGFVQAX-ZCFIWIBFSA-N	240.284	2.185	5	40	BEBB	
CC(=O)CSCc1cccc([N+](=O)[O-])c1	81273580	RPFOBQMHCDHTTC-UHFFFAOYSA-N	225.269	2.417	5	40	BEBB	
CC(C)(C)NC(=O)Cc1ccccc1[N+](=O)[O-]	2774356	YNOSHZGFNIQYQM-UHFFFAOYSA-N	236.271	2.052	5	40	BEBB	
c1ccc2c(c1)ccc1nc3nonc3nc12	3159020	KKODYRJLOQHXDW-UHFFFAOYSA-N	222.207	2.319	5	40	BEBB	
O=C(O)c1ccc(Cc2cccc([N+](=O)[O-])c2)o1	85393594	CIFGEMXBIHMEBP-UHFFFAOYSA-N	247.206	2.477	5	40	BEBB	
Cc1cc(=O)oc2ccc3c(=O)ccoc3c12	1611265	MKGCUVJRVBWPOE-UHFFFAOYSA-N	228.203	2.208	5	40	BEBB	
COCCSc1ncc([N+](=O)[O-])cc1Cl	89420247	JPQCFFUEZZFLBW-UHFFFAOYSA-N	248.691	2.382	5	40	BEBB	
O=C(Nc1ccccc1)c1ccc([N+](=O)[O-])o1	374558	BPZNHKQKNUUVQA-UHFFFAOYSA-N	232.195	2.440	5	40	BEBB	
Cc1noc(/C=C\c2cccnc2)c1[N+](=O)[O-]	4820803	SRWLVUSPLVSADH-PLNGDYQASA-N	231.211	2.457	5	40	BEBB	
CC(C)NC(=O)c1ccc([N+](=O)[O-])cc1Cl	2742111	FSCHKWCJROCPFQ-UHFFFAOYSA-N	242.662	2.386	5	40	BEBB	
CC(C)N1CCc2cc([N+](=O)[O-])ccc2C1	218744488	GZBCTXFHQJTEQV-UHFFFAOYSA-N	220.272	2.361	5	40	BEBB	
CCOc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-]	142442486	CXHWSAAGJSNLIO-UHFFFAOYSA-N	245.618	2.345	5	40	BEBB	
CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])n1	38665651	GCMZCYGUCIAZFG-UHFFFAOYSA-N	239.231	2.337	5	40	BEBB	
CCN(CC)c1ncc(C)cc1[N+](=O)[O-]	75092890	VOGHLAVIBLCONC-UHFFFAOYSA-N	209.249	2.144	5	40	BEBB	
CC(C)(C)C(=N)NC(=O)c1ccc([N+](=O)[O-])cc1	95452480	FAPJTWIYWVTPQC-UHFFFAOYSA-N	249.270	2.348	5	40	BEBB	
O=Cc1ccc2[nH]c3ccccc3c(=O)c2c1	96306109	YMUSDSVGXOMGLF-UHFFFAOYSA-N	223.231	2.494	5	40	BEBB	
COC(=O)c1cccn1-c1ccc([N+](=O)[O-])cc1	44199893	XBZDGDGOAYURHR-UHFFFAOYSA-N	246.222	2.172	5	40	BEBB	
COc1c(C(=O)O)oc2ccc([N+](=O)[O-])cc12	96379163	PDEULGWNCVKPRJ-UHFFFAOYSA-N	237.167	2.048	5	40	BEBB	
O=[N+]([O-])c1ccc(-c2ccncn2)s1	480684	HRONJYKBBQPVDW-UHFFFAOYSA-N	207.214	2.113	5	40	BEBB	
COc1ccc(CCC(O)=S)cc1[N+](=O)[O-]	95932824	HNKGGAIJJZAIAV-UHFFFAOYSA-N	241.268	2.421	5	40	BEBB	
CCNc1cc([N+](=O)[O-])cc(Cl)c1O	33961876	CDFNUSAXZDSXKF-UHFFFAOYSA-N	216.624	2.386	5	40	BEBB	
Cn1cc(/C=C/[N+](=O)[O-])c2ccccc21	40303	RZJUMQWTXIXIMY-VOTSOKGWSA-N	202.213	2.426	5	40	BEBB	
Nc1nc2c(Cl)ccc([N+](=O)[O-])c2s1	20154724	FEKZBZWMEUJFPF-UHFFFAOYSA-N	229.648	2.440	5	40	BEBB	
Cc1cc(C(=O)NCC2CC2)ccc1[N+](=O)[O-]	24758495	JRUKZCSQZGANSC-UHFFFAOYSA-N	234.255	2.043	5	40	BEBB	
C[C@@H]1C[C@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	97021274	FQJXQCYXIHCFHX-LDYMZIIASA-N	234.255	2.214	5	40	BEBB	
O=[N+]([O-])c1c2c(cc3c1[C@H](CO)CC3)CCC2	2088617672	NUCRGDSOQYBTFV-JTQLQIEISA-N	233.267	2.106	5	40	BEBB	
CC(C)(CC(=O)O)c1cccc([N+](=O)[O-])c1	96316054	QSRSGQNNRKJNJQ-UHFFFAOYSA-N	223.228	2.347	5	40	BEBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)N1C	91356220	YFPUDXLNZBCCMI-QWRGUYRKSA-N	249.314	2.124	5	40	BEBB	
CC[C@@H](C)NC(=O)c1csc([N+](=O)[O-])c1	42565051	KSGPMLUMMLXSOF-ZCFIWIBFSA-N	228.273	2.185	5	40	BEBB	
CC(C)(C)[C@@H](CO)Nc1ccccc1[N+](=O)[O-]	97237212	BKFPNTLTVHVUHM-LLVKDONJSA-N	238.287	2.414	5	40	BEBB	
CCCOCc1ccc([N+](=O)[O-])cc1C(=O)O	72209187	IYOHATUDXWFPKG-UHFFFAOYSA-N	239.227	2.220	5	40	BEBB	
COc1cc([N+](=O)[O-])cc2cccnc12	2506122	DDZOFSUAHDCNQO-UHFFFAOYSA-N	204.185	2.152	5	40	BEBB	
Cc1cc([N+](=O)[O-])cc(N)c1Br	90376619	KOFZWAGTGPUOCM-UHFFFAOYSA-N	231.049	2.248	5	40	BEBB	
CCOC(=O)c1ccc([N+](C)(C)C)cc1	82048510	JBKLBPWWMKAPEH-UHFFFAOYSA-N	208.281	2.060	5	40	BEBB	
CCn1c(C)cc(=O)c2cc([N+](=O)[O-])ccc21	95951509	MZVSDSOJJUJZSW-UHFFFAOYSA-N	232.239	2.238	5	40	BEBB	
O=C(O)c1cc2ccc3ccccc3c2[nH]c1=O	4945633	YZYNBFHGBFHRQS-UHFFFAOYSA-N	239.230	2.380	5	40	BEBB	
Cc1n[nH]cc1Nc1ccc([N+](=O)[O-])cc1	91475951	ZUYAMTAFZRBVOF-UHFFFAOYSA-N	218.216	2.370	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2ccccn2)n1	35653988	FRWYTYWZLIDLEP-UHFFFAOYSA-N	201.185	2.052	5	40	BEBB	
Cc1c(F)cc2ccc(C=O)nc2c1[N+](=O)[O-]	85399774	FHCHPSFFRDGWDR-UHFFFAOYSA-N	234.186	2.403	5	40	BEBB	
Cc1[nH]c2cccc([N+](=O)[O-])c2c(=O)c1C	685938113	JZFPYUADVSWYSB-UHFFFAOYSA-N	218.212	2.053	5	40	BEBB	
O=C(Cc1ccccc1[N+](=O)[O-])NC1CCCC1	5717213	LGJQNCOVXWPEHK-UHFFFAOYSA-N	248.282	2.196	5	40	BEBB	
COC(=O)c1[nH]ccc1-c1cccc([N+](=O)[O-])c1	1772714871	CLHIUTCKCSWGSQ-UHFFFAOYSA-N	246.222	2.377	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CCC[C@@H]2C3=O)CCCC1	100751386	BTKLEOOUQVGGOK-AVGNSLFASA-N	222.352	2.375	5	40	BEBB	
CCN(CC)C(=O)Cc1ccc([N+](=O)[O-])cc1	3193298	GDKVFFXDYCFHIA-UHFFFAOYSA-N	236.271	2.006	5	40	BEBB	
COc1cc(NC2CC2)c([N+](=O)[O-])cc1OC	214200673	FPRJOXAVFROEKW-UHFFFAOYSA-N	238.243	2.186	5	40	BEBB	
Cc1nn(C)c2ccc3ccccc3c(=O)c12	1590311	LRUJLVSKQIBTNY-UHFFFAOYSA-N	224.263	2.395	5	40	BEBB	
O=[N+]([O-])c1ccc2c[n+]3ccccc3cc2c1	1713650	LYPAZUNNGCMJGX-UHFFFAOYSA-N	225.227	2.487	5	40	BEBB	
O=C(O)c1cc([N+](=O)[O-])ccc1-n1cccc1	38885486	LLBNURHUYGGQJR-UHFFFAOYSA-N	232.195	2.084	5	40	BEBB	
O=[N+]([O-])c1cnn(Cc2ccc(F)c(F)c2)c1	67799569	UQEALYFLANWCCC-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
CC(=O)c1cc(Cl)c(C)c([N+](=O)[O-])c1O	2573984	UQVHWGGRXQWGGY-UHFFFAOYSA-N	229.619	2.465	5	40	BEBB	in-vitro
COc1cc(C=O)c([N+](=O)[O-])cc1OC(F)F	12505056	CXZBLGOUIGALNE-UHFFFAOYSA-N	247.153	2.017	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)CN(CC(F)F)CC2	88606770	AEBCWNSOJPJLDQ-UHFFFAOYSA-N	242.225	2.218	5	40	BEBB	
O=[N+]([O-])c1ccccc1-c1ncccn1	96345706	RZRKCDVVGMTALK-UHFFFAOYSA-N	201.185	2.052	5	40	BEBB	
N=C1Nc2ccc([N+](=O)[O-])cc2CS1	953072436	TVRVDSHPIMKKID-UHFFFAOYSA-N	209.230	2.188	5	40	BEBB	
O=[N+]([O-])c1ccc2nc(C(F)(F)F)cn2c1	89201677	CEDZYRGNBJSMSY-UHFFFAOYSA-N	231.133	2.261	5	40	BEBB	
CC(C)(C)c1cc(N)c(O)c([N+](=O)[O-])c1	36377926	DOIZCTMIPKWRDU-UHFFFAOYSA-N	210.233	2.180	5	40	BEBB	
NCc1cc([N+](=O)[O-])cc(C(F)(F)F)c1	44249011	TWDRNIQLTSONQX-UHFFFAOYSA-N	220.150	2.072	5	40	BEBB	
O=Cc1ccc(N2CCCC2)cc1[N+](=O)[O-]	95081118	IELJNRJZBIFVFW-UHFFFAOYSA-N	220.228	2.008	5	40	BEBB	
O=[N+]([O-])c1cccc(CNCc2ccco2)c1	2566347	DGHKBRLNOPQEAD-UHFFFAOYSA-N	232.239	2.478	5	40	BEBB	
CC(C)(C)Nc1ccc([N+](=O)[O-])cc1N	5249993	WLPUQQWEGNATFA-UHFFFAOYSA-N	209.249	2.387	5	40	BEBB	
CSc1ccc([N+](=O)[O-])c(C(=O)O)c1	7814925	WGHRQILGEUWYCX-UHFFFAOYSA-N	213.214	2.015	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccccc1[C@@H](O)C(F)(F)F	39054614	ABHAFAQMIBXHIR-SSDOTTSWSA-N	221.134	2.191	5	40	BEBB	
Cc1cn(-c2ccc([N+](=O)[O-])cc2F)cn1	116679310	SQFOHXFPQHTJRN-UHFFFAOYSA-N	221.191	2.228	5	40	BEBB	
CCNC(=O)Nc1ccc(C)c([N+](=O)[O-])c1	43466824	BEYPZVPLAOCLPH-UHFFFAOYSA-N	223.232	2.045	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(F)c(OC(F)F)c1	47203265	UKSAGCUNNXEOBJ-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	in-vitro
CC[N+](CC)(CC)CCOCC(F)(F)F	1083813018	SHNJTLZEYBNJAT-UHFFFAOYSA-N	228.278	2.442	5	40	BEBB	
C[N+]12CCC(CC1)[C@@H](C(=O)c1ccsc1)C2	547456	LKRZDMLPPGYLEO-KHJSKFAYSA-N	236.360	2.417	5	40	BEBB	
CNc1ccc2cnccc2c1[N+](=O)[O-]	22063327	YGWXJTKVNSPTHL-UHFFFAOYSA-N	203.201	2.185	5	40	BEBB	in-vitro
CC(=O)Nc1cc(C)cc(C)c1[N+](=O)[O-]	96316034	MSSWENRBNJUJLA-UHFFFAOYSA-N	208.217	2.170	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)C1CCN2CC1	100717828	NUPTWXJPJASIEJ-UHFFFAOYSA-N	204.229	2.292	5	40	BEBB	
O=[N+]([O-])c1cc(Br)nc2[nH]ccc12	16678095	UFGYCSWXPJGXDT-UHFFFAOYSA-N	242.032	2.234	5	40	BEBB	in-vitro
O=[N+]([O-])c1cccc(-c2ccnc(S)n2)c1	20153830	UTFFYIIUBKEGJD-UHFFFAOYSA-N	233.252	2.341	5	40	BEBB	
CC(=O)Oc1c[nH]c2cc([N+](=O)[O-])ccc12	68590563	SHCXXBYOULUHJF-UHFFFAOYSA-N	220.184	2.001	5	40	BEBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2CCCC[C@@H]2C1	1673488	XUSAJVVXBPFOBY-HUUCEWRRSA-N	240.435	2.349	5	40	BEBB	
COC(=O)c1ccc2c[n+]3ccccc3cc2c1	1713651	HZAZKVLBLOYGLG-UHFFFAOYSA-N	238.266	2.365	5	40	BEBB	
O=c1[nH]c2ccc(F)cc2c(=O)c2ccccc12	12360116	UIAFVWOKKWDMGP-UHFFFAOYSA-N	241.221	2.181	5	40	BEBB	
O=C1CCc2c1cc1c(c2[N+](=O)[O-])CCC1	34590891	IZLJNKUQAFQERG-UHFFFAOYSA-N	217.224	2.212	5	40	BEBB	
O=[N+]([O-])c1ccccc1OC[C@@H]1CCOC1	70013370	PIVJRWPMJGIUKB-SECBINFHSA-N	223.228	2.010	5	40	BEBB	
CC(=O)Oc1ccc(Cl)c([N+](=O)[O-])c1	162393	GUSAZEAOPZVXBH-UHFFFAOYSA-N	215.592	2.174	5	40	BEBB	
Cn1nc2ccc([N+](=O)[O-])cc2c1Cl	39246641	AHHIGYSSZCPDMK-UHFFFAOYSA-N	211.608	2.135	5	40	BEBB	
CN(C)c1ccc([N+](=O)[O-])c2ccc(C=O)nc12	26460707	HEAFGAMVSZOTOZ-UHFFFAOYSA-N	245.238	2.022	5	40	BEBB	
O=[N+]([O-])/C=C\c1cc([N+](=O)[O-])ccc1Cl	83313319	DEZMGZNWZYGVKZ-ARJAWSKDSA-N	228.591	2.496	5	40	BEBB	
CNC(=O)c1cccc2nc3ccccc3nc12	4862853	DJAVTZBXJNBTRP-UHFFFAOYSA-N	237.262	2.143	5	40	BEBB	
CC(=O)Sc1nc2cc([N+](=O)[O-])ccc2[nH]1	19142075	KEZCNJPEVOECCM-UHFFFAOYSA-N	237.240	2.110	5	40	BEBB	
O=[N+]([O-])c1ccc(Cl)cc1SCCO	3100667	FUGNIGSLWFEYJI-UHFFFAOYSA-N	233.676	2.333	5	40	BEBB	
O=Cc1cc2cc3ccccc3cc2[nH]c1=O	100476569	SBGHFAIHNYYBOX-UHFFFAOYSA-N	223.231	2.494	5	40	BEBB	
Cc1cccc(NCCC(C)(C)O)c1[N+](=O)[O-]	225460383	RIVHGVNZCLROMV-UHFFFAOYSA-N	238.287	2.476	5	40	BEBB	
O=[N+]([O-])c1ccc(F)c([C@@H](O)C(F)(F)F)c1	1536129389	WJBQRJMSACCALO-SSDOTTSWSA-N	239.124	2.330	5	40	BEBB	
Cc1nc([N+](=O)[O-])c(S)n1Cc1ccccc1	346713	GTSWPHUJSXCMCA-UHFFFAOYSA-N	249.295	2.437	5	40	BEBB	
O=[N+]([O-])c1cc(-c2c[nH]cn2)ccc1F	3888458	ZOADEDCOQAVFBO-UHFFFAOYSA-N	207.164	2.124	5	40	BEBB	
CCN(CC)C(=O)Cc1ccccc1[N+](=O)[O-]	6593959	XVPCPSFHFSEIGL-UHFFFAOYSA-N	236.271	2.006	5	40	BEBB	
O=C(c1ccc([N+](=O)[O-])s1)N1CCCCC1	12903825	PRLMSDMZGGCNJV-UHFFFAOYSA-N	240.284	2.282	5	40	BEBB	
CN(C)[C@@H]1C=CC[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	31669891	XEFALROTPLJINF-MJBXVCDLSA-N	246.310	2.306	5	40	BEBB	
Cc1cc(C)nc(Oc2cccnc2[N+](=O)[O-])n1	36392001	OBAKKZAKARQSBB-UHFFFAOYSA-N	246.226	2.189	5	40	BEBB	
Cc1ccn(Cc2cccc([N+](=O)[O-])c2)c(=O)c1	71857497	KXJQDVDSLZMWQT-UHFFFAOYSA-N	244.250	2.113	5	40	BEBB	
CCCOc1ccc(C(=O)OC)cc1[N+](=O)[O-]	73695926	SVFRMFDPJFUNCY-UHFFFAOYSA-N	239.227	2.170	5	40	BEBB	
O=[N+]([O-])c1ccc2[nH]c(C(F)F)nc2c1	72265957	UYYBCQBMLAMMSG-UHFFFAOYSA-N	213.143	2.409	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2ncccn2)c1	95929140	IUKRCJBHJYYSSK-UHFFFAOYSA-N	201.185	2.052	5	40	BEBB	
CCOC(=O)Cc1c[nH]c2c([N+](=O)[O-])cccc12	669369704	GUJJZVVNTGXNQK-UHFFFAOYSA-N	248.238	2.182	5	40	BEBB	
Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1	4059175	NHDCKELICOIXSW-UHFFFAOYSA-N	227.270	2.362	5	40	BEBB	
CC(C)Nc1ccc([N+](=O)[O-])c(N)c1N=O	4733018	BYNDXTRGXSOQHT-UHFFFAOYSA-N	224.220	2.395	5	40	BEBB	
CC[C@H](Cc1ccc([N+](=O)[O-])cc1)C(=O)O	40452084	GXXVOCAHIFODMZ-SECBINFHSA-N	223.228	2.248	5	40	BEBB	in-vitro
O=[N+]([O-])c1cccc(CC2CCNCC2)c1	84922734	JZKTYKWANLIKBV-UHFFFAOYSA-N	220.272	2.137	5	40	BEBB	
O=C(c1ccccc1[N+](=O)[O-])C(F)(F)F	100077150	SMAUUHMFSKFQNB-UHFFFAOYSA-N	219.118	2.340	5	40	BEBB	in-vitro
CCNc1cc(Cl)c(C(=O)O)cc1[N+](=O)[O-]	5105605	HNVYHGSWSYYPPC-UHFFFAOYSA-N	244.634	2.378	5	40	BEBB	
C[C@H](Oc1cc([N+](=O)[O-])ccn1)C(F)(F)F	616567824	CVXYEHITOWTUGA-YFKPBYRVSA-N	236.149	2.319	5	40	BEBB	
C[C@H](CC(=O)O)c1ccc([N+](=O)[O-])cc1	2164963	OOYGSZSFZAVHDA-SSDOTTSWSA-N	209.201	2.173	5	40	BEBB	
Cc1[nH]c2c([N+](=O)[O-])cccc2c(=O)c1C	685938453	SMTLAHXFWCJYOM-UHFFFAOYSA-N	218.212	2.053	5	40	BEBB	
CCOC(=O)Nc1c(F)cc(F)cc1[N+](=O)[O-]	4416639	ATRLNLAWIVJYMK-UHFFFAOYSA-N	246.169	2.441	5	40	BEBB	
CCOC(=O)C(C)(C)CCCC[N+](=O)[O-]	1857793885	PCLCEOXPSKTWBW-UHFFFAOYSA-N	217.265	2.023	5	40	BEBB	
O=[N+]([O-])c1ccc2c([N+](=O)[O-])c(O)ccc2c1	1716715	VFLQOIOBRZOQRY-UHFFFAOYSA-N	234.167	2.362	5	40	BEBB	
C[C@@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	5515831	KOGIRDSTNGPWMG-SNVBAGLBSA-N	248.282	2.467	5	40	BEBB	
COCC(C)(C)NCc1cccc([N+](=O)[O-])c1	66996048	QKQRWJCNJVAZPT-UHFFFAOYSA-N	238.287	2.109	5	40	BEBB	
Nc1cc([N+](=O)[O-])c(O)c2ccccc12	19801365	ANBUBGFZWBEEMR-UHFFFAOYSA-N	204.185	2.036	5	40	BEBB	
O=Cc1c(F)ccc(Br)c1[N+](=O)[O-]	306599714	HVUNNVNAMLMQKC-UHFFFAOYSA-N	248.007	2.309	5	40	BEBB	
CCOc1ccc(C(OC)OC)cc1[N+](=O)[O-]	1687856	FSRPEAPEHPYAMB-UHFFFAOYSA-N	241.243	2.285	5	40	BEBB	
Cc1oc(-c2ccc([N+](=O)[O-])cc2)nc1CN	39320615	LOLFDGMTIZERSV-UHFFFAOYSA-N	233.227	2.017	5	40	BEBB	
CC1(C)CCC(C)(C)[C@@H](C[N+](=O)[O-])O1	493015	KJOWDMUEJFUGQB-MRVPVSSYSA-N	201.266	2.247	5	40	BEBB	
CCc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12	551742	OEEFADFZZDUNDL-UHFFFAOYSA-N	234.211	2.337	5	40	BEBB	
C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C(=O)O	6249499	MGSNRRSHOLDFTO-YFKPBYRVSA-N	245.618	2.100	5	40	BEBB	
CC1(C)COCN1Cc1ccc([N+](=O)[O-])cc1	20445254	WIECZSHEBAMWJL-UHFFFAOYSA-N	236.271	2.163	5	40	BEBB	
Cc1cc([N+](=O)[O-])ccc1Sc1ncn[nH]1	70462274	RVTJEEUFPONMCE-UHFFFAOYSA-N	236.256	2.173	5	40	BEBB	
O=[N+]([O-])c1cnc2ccnc(Cl)c2c1	95707218	VLEUDDDQWNSCTP-UHFFFAOYSA-N	209.592	2.191	5	40	BEBB	
CCOC(=O)c1ccc([N+](=O)[O-])c(OCC)c1	345696	GULMPMFOOQNUTQ-UHFFFAOYSA-N	239.227	2.170	5	40	BEBB	
CCN(CC)CCc1ccc([N+](=O)[O-])cc1	1666535	VCNZJUIRPLTWIQ-UHFFFAOYSA-N	222.288	2.479	5	40	BEBB	
C[C@@](O)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F	43368154	VUESJESTGDDESM-MRVPVSSYSA-N	235.161	2.365	5	40	BEBB	
CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl	33012206	FIOJPKZRKYTRSJ-ZETCQYMHSA-N	244.678	2.431	5	40	BEBB	
CC[C@@H](C)NCc1cccc([N+](=O)[O-])c1	8326020	FIPOFFDFDJIKRV-SECBINFHSA-N	208.261	2.483	5	40	BEBB	
O=[N+]([O-])/C=C/c1ccc2ccccc2n1	8635254	ROLNDGIVCBCROQ-BQYQJAHWSA-N	200.197	2.482	5	40	BEBB	
CC(C)n1nc(C(F)(F)F)cc1[N+](=O)[O-]	12399027	JCHANBCMOSJAAR-UHFFFAOYSA-N	223.154	2.391	5	40	BEBB	
O=[N+]([O-])c1cc(C(F)(F)F)c(F)cc1O	198441769	CYLNERJHOHGLRG-UHFFFAOYSA-N	225.097	2.458	5	40	BEBB	
CCOc1c(C)cc([N+](=O)[O-])cc1C=O	225272406	LRECKYIFQODLFR-UHFFFAOYSA-N	209.201	2.114	5	40	BEBB	
O=[N+]([O-])/C=C/c1cccc(/C=C/[N+](=O)[O-])c1	3845198	BNOSAIZTNCKEMZ-YDFGWWAZSA-N	220.184	2.181	5	40	BEBB	
Cc1c(C)c([N+](=O)[O-])c(C)c2c1C(=O)C2	3847832	BVVBIKLKFXOMAF-UHFFFAOYSA-N	205.213	2.259	5	40	BEBB	biogenic
COc1ccc(-n2cccc2)cc1[N+](=O)[O-]	136489549	RWSAOUFPNBYALL-UHFFFAOYSA-N	218.212	2.394	5	40	BEBB	
COCCCNc1c(F)cccc1[N+](=O)[O-]	67800528	LDTQMIJZUJULIS-UHFFFAOYSA-N	228.223	2.182	5	40	BEBB	
CCc1cc(Cl)c(N)c([N+](=O)[O-])c1	142167970	HGTWIXHDLYLQGO-UHFFFAOYSA-N	200.625	2.393	5	40	BEBB	
O=C(O)CCSc1ccccc1[N+](=O)[O-]	1641099	OHKLQMGZGZMTJL-UHFFFAOYSA-N	227.241	2.162	5	40	BEBB	
O=[N+]([O-])c1ccc(NC[C@H]2CCCO2)c(F)c1	4255994	OMBAIUNBSJSENC-SECBINFHSA-N	240.234	2.325	5	40	BEBB	
C[C@H]1C[C@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1	5637788	POMUPJOEFRLELI-UWVGGRQHSA-N	235.287	2.472	5	40	BEBB	
CC(C)(C)c1c([N+](=O)[O-])cc(N)cc1[N+](=O)[O-]	96316048	OGZINIFYQIORFV-UHFFFAOYSA-N	239.231	2.383	5	40	BEBB	
Cc1nsc(Br)c1[N+](=O)[O-]	1709549	LISJYXUDWOEKBJ-UHFFFAOYSA-N	223.051	2.122	5	40	BEBB	in-vitro
O=[N+]([O-])c1c(F)cccc1OC1CCOCC1	54269254	BMVLICRCIQROQG-UHFFFAOYSA-N	241.218	2.292	5	40	BEBB	
CCOC(=O)c1ccoc1C[N+](C)(CC)CC	3040679	DVAXGXOGNNLFKT-UHFFFAOYSA-N	240.323	2.443	5	40	BEBB	
Cc1c(F)cnc(Br)c1[N+](=O)[O-]	21981901	GETCZNOCLJMNEA-UHFFFAOYSA-N	235.012	2.200	5	40	BEBB	
CC[C@H](C)Nc1nn(CC)cc1[N+](=O)[O-]	95098524	KXSBNBFVCKCIRJ-ZETCQYMHSA-N	212.253	2.022	5	40	BEBB	
COc1ccc(Cn2cc(C)cn2)cc1[N+](=O)[O-]	96428962	OVDCXTRDJQUJHP-UHFFFAOYSA-N	247.254	2.157	5	40	BEBB	
CCc1[nH]c2ccc([N+](=O)[O-])cc2c(=O)c1C	685937923	BDBLWHMNSFTZBT-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
O=C(O)c1ccc2[nH]c(=O)c3ccccc3c2c1	28645733	UQJFJMGMOGWAFO-UHFFFAOYSA-N	239.230	2.380	5	40	BEBB	
O=[N+]([O-])c1cnn(Cc2c(F)cccc2F)c1	67799815	QUFPVMYAXSPLSJ-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
O=C(O)c1cccn1-c1ccc([N+](=O)[O-])cc1	315635	YCDWGNIQEQCQQW-UHFFFAOYSA-N	232.195	2.084	5	40	BEBB	
Cc1cc(=O)cc(C)n1-c1cccc([N+](=O)[O-])c1	26770982	REKAFOVEOXRJFW-UHFFFAOYSA-N	244.250	2.363	5	40	BEBB	
Cc1sc(C(=O)N(C)C2CC2)cc1[N+](=O)[O-]	48340806	BAOSJJKHUFCGNT-UHFFFAOYSA-N	240.284	2.199	5	40	BEBB	
NCCc1cccc2nc3ccccc3nc12	85390750	XOLDBUKMFFQVKO-UHFFFAOYSA-N	223.279	2.284	5	40	BEBB	
COCCCOc1cccc(C)c1[N+](=O)[O-]	97114991	IIEYIXVQCOGZLQ-UHFFFAOYSA-N	225.244	2.319	5	40	BEBB	
CCCOc1c(C=O)cc(F)cc1[N+](=O)[O-]	225271145	UYZYTXFEVCJJGF-UHFFFAOYSA-N	227.191	2.335	5	40	BEBB	
Cc1csc[n+]1Cc1ccc([N+](=O)[O-])cc1	1703843	LKCULGHDIKIQLI-UHFFFAOYSA-N	235.288	2.301	5	40	BEBB	
CNc1c(C)cc2ncccc2c1[N+](=O)[O-]	6044192	NMAKNHMEWSMOBG-UHFFFAOYSA-N	217.228	2.493	5	40	BEBB	in-vitro
O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)cs1	34669950	IBGIABCHEFKBQC-UHFFFAOYSA-N	222.225	2.012	5	40	BEBB	
O=C(O)C[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1	34567499	KYJIWWFRFAYPGO-QMMMGPOBSA-N	243.646	2.175	5	40	BEBB	
CCOC(=O)c1cc(C)cc(C)c1[N+](=O)[O-]	143053254	SISYZZPUAIMEBW-UHFFFAOYSA-N	223.228	2.388	5	40	BEBB	
CCOC(=N)c1cc([N+](=O)[O-])ccc1C	50441269	NKGKHBYFIBXYJT-UHFFFAOYSA-N	208.217	2.265	5	40	BEBB	
Cc1nn(Cc2ccc(F)cc2)cc1[N+](=O)[O-]	97052529	LJRKXZASYXOMOS-UHFFFAOYSA-N	235.218	2.287	5	40	BEBB	
Cc1cc([N+](=O)[O-])c(N)cc1N1CCCCC1	216863237	JLBGQIAPGDPSFP-UHFFFAOYSA-N	235.287	2.476	5	40	BEBB	
CCc1[nH]c2c([N+](=O)[O-])cccc2c(=O)c1C	685937956	CXLMFNKEADZHLE-UHFFFAOYSA-N	232.239	2.307	5	40	BEBB	
C[N+]1([C@H]2CC[C@H]3CCC[C@@H]2C3=O)CCCC1	4044618	BTKLEOOUQVGGOK-AGIUHOORSA-N	222.352	2.375	5	40	BEBB	
Cn1cc(/C=C\[N+](=O)[O-])c2ccccc21	4822811	RZJUMQWTXIXIMY-SREVYHEPSA-N	202.213	2.426	5	40	BEBB	
C[N+](C)([O-])CCc1c[nH]c2ccccc12	15121220	FSRSWKRQDYWUFG-UHFFFAOYSA-N	204.273	2.285	5	40	BEBB	biogenic,in-vitro
CCOC(=N)c1ccc([N+](=O)[O-])cc1F	199759769	NDQNNENAKOVPIS-UHFFFAOYSA-N	212.180	2.096	5	40	BEBB	
Cc1ccnc(C(F)(F)F)c1[N+](=O)[O-]	616567834	HGAYFEMOLVTART-UHFFFAOYSA-N	206.123	2.317	5	40	BEBB	
CC(C)(C)Nc1c([N+](=O)[O-])ccc2nonc12	4093885	GAOBBAIZSWBHKL-UHFFFAOYSA-N	236.231	2.341	5	40	BEBB	
O=Cc1cccc(C(F)(F)F)c1[N+](=O)[O-]	95644331	SEJHSGRTEIURNH-UHFFFAOYSA-N	219.118	2.426	5	40	BEBB	
C[N+]1(Cc2ccccc2)[C@H]2CC[C@@H](O)[C@H]1CC2	104235194	MIAWZSDZBSMXLM-SLCRAUQTSA-N	232.347	2.319	5	40	BEBB	
Cc1nc2cc([N+](=O)[O-])ccc2nc1Cl	34077804	XBIXJMJWISYMKU-UHFFFAOYSA-N	223.619	2.500	5	40	BEBB	
COCc1noc(-c2ccc(C)c([N+](=O)[O-])c2)n1	78774859	GHYHIHPPXHNKGU-UHFFFAOYSA-N	249.226	2.100	5	40	BEBB	
Cc1cc2sc(N)nc2cc1[N+](=O)[O-]	328290	UNEAJZHBVAOTDN-UHFFFAOYSA-N	209.230	2.095	5	40	BEBB	
Cc1nn(C)c(Nc2ccccc2)c1[N+](=O)[O-]	4409554	NFOSQHSMEMKKJJ-UHFFFAOYSA-N	232.243	2.380	5	40	BEBB	
CC(=O)Nc1cc(C)c([N+](=O)[O-])cc1C	4758972	IPRXWEPMOALPTO-UHFFFAOYSA-N	208.217	2.170	5	40	BEBB	
CC(C)c1cc([N+](=O)[O-])c(O)c([N+](=O)[O-])c1	1577724	FVMCLNZPDUOPJC-UHFFFAOYSA-N	226.188	2.332	5	40	BEBB	
CCOc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1C	1599104	OJFDFAADMRKVCZ-UHFFFAOYSA-N	226.188	2.210	5	40	BEBB	
Cc1cccc(Nc2ncnc(N)c2[N+](=O)[O-])c1	4059571	DGUXJMSCRVIGAP-UHFFFAOYSA-N	245.242	2.019	5	40	BEBB	
CCCCC(=O)Nc1ccc([N+](=O)[O-])cn1	5393161	IDJPUNUDSRGQHN-UHFFFAOYSA-N	223.232	2.119	5	40	BEBB	
CCc1noc(COc2ccc([N+](=O)[O-])cc2)n1	24770640	WHSUALZRTGJHOO-UHFFFAOYSA-N	249.226	2.119	5	40	BEBB	
CCNC(=O)c1ccc(SC)c([N+](=O)[O-])c1	9883795	PHVYERBPQANHIL-UHFFFAOYSA-N	240.284	2.066	5	40	BEBB	
C[C@H]1C[C@@H](C)CN(c2ccc([N+](=O)[O-])nc2)C1	12635258	POMUPJOEFRLELI-AOOOYVTPSA-N	235.287	2.472	5	40	BEBB	
Cc1ccn(CCOc2cccc([N+](=O)[O-])c2)n1	97238191	PXXVYEZRIDQOKC-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
O=[N+]([O-])CCCCCCCCCCO	1857793906	TXDADEZQXPDVNS-UHFFFAOYSA-N	203.282	2.376	5	40	BEBB	
CCOC(=O)c1cc(C)cc([N+](=O)[O-])c1OC	57339266	ICBJJXSFSDEZSK-UHFFFAOYSA-N	239.227	2.089	5	40	BEBB	
CCOc1c(Cl)cc(C(=O)O)cc1[N+](=O)[O-]	216942785	MEAVJWAKKSCAGO-UHFFFAOYSA-N	245.618	2.345	5	40	BEBB	
O=C(O)Cc1cccc(C(F)(F)F)c1[N+](=O)[O-]	2540392	HVOJNWRUCOKACI-UHFFFAOYSA-N	249.144	2.241	5	40	BEBB	
O=[N+]([O-])c1ccc(Cc2cncc(O)c2)cc1	500734	XXWUGOBJUOXNAD-UHFFFAOYSA-N	230.223	2.286	5	40	BEBB	
Cc1ccc(O[C@@H]2CCCNC2)c([N+](=O)[O-])c1	42782883	LLRPRAJCQBGPSZ-SNVBAGLBSA-N	236.271	2.034	5	40	BEBB	
CSCC(=O)c1cccc([N+](=O)[O-])c1	38063991	WQGULFPZCYNHDU-UHFFFAOYSA-N	211.242	2.141	5	40	BEBB	
O=[N+]([O-])c1cc(F)ccc1OC[C@@H]1CCCO1	67800518	NWPSPBDAEKRJNK-VIFPVBQESA-N	241.218	2.292	5	40	BEBB	
C[N+]12CCCC[C@H]1[C@H](CCCO)CCC2	2606135	MBZRGAYZZWRWKM-RFHHWMCGSA-N	212.357	2.168	5	40	BEBB	
O=C(O)Cc1cccn1-c1ccc([N+](=O)[O-])cc1	20479469	SJQZLBVCWPCLLW-UHFFFAOYSA-N	246.222	2.013	5	40	BEBB	
CCOCCCNCc1cccc([N+](=O)[O-])c1	8253199	QNSYVZTYQSJAJF-UHFFFAOYSA-N	238.287	2.111	5	40	BEBB	
O=[N+]([O-])c1cccnc1Nc1cccc(O)c1	71405335	BSFLBUQNINRPOU-UHFFFAOYSA-N	231.211	2.439	5	40	BEBB	
O=C(O)/C=C\c1ccc([N+](=O)[O-])cc1Cl	16930905	UQOPTOKQPGXSFP-RQOWECAXSA-N	227.603	2.346	5	40	BEBB	
Cc1cc([N+](=O)[O-])ccc1-n1cccc1CO	223738888	KZHYIXRAFWLSTN-UHFFFAOYSA-N	232.239	2.186	5	40	BEBB	
O=C(O)c1cnc2c(ccc3ncccc32)c1O	1625286	XCTTXIYZCLCCAJ-UHFFFAOYSA-N	240.218	2.187	5	40	BEBB	
C/C(=C\C(=O)O)c1ccc([N+](=O)[O-])cc1	5182319	APEDXSVBRQSCED-VOTSOKGWSA-N	207.185	2.083	5	40	BEBB	
COC(=O)[C@@H](C)Sc1sccc1[N+](=O)[O-]	96492789	JRIAQZHGSSJPKV-RXMQYKEDSA-N	247.297	2.310	5	40	BEBB	
COc1cc([N+](=O)[O-])c(O)cc1Br	97447147	TWRGNIMFZNDJDQ-UHFFFAOYSA-N	248.032	2.072	5	40	BEBB	
CC(C)(C)c1cnnn1-c1ccc([N+](=O)[O-])cc1	192392	FRAYZPDBVGAIJE-UHFFFAOYSA-N	246.270	2.473	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1C1CC1)OCCO2	5567068	UVPJTRFBGWTAHV-UHFFFAOYSA-N	221.212	2.243	5	40	BEBB	
Nc1nccc(-c2ccccc2)c1[N+](=O)[O-]	39118850	LRWZHTAZIWRKOZ-UHFFFAOYSA-N	215.212	2.239	5	40	BEBB	
O=[N+]([O-])[C@@H]1CC=CC[C@@H]1c1ccc2c(c1)OCO2	1599793	WFPHZRSWFPQSHM-GHMZBOCLSA-N	247.250	2.494	5	40	BEBB	
C[N+](C)(C)CCC[N+]1(C)C[C@H]2CCCC[C@H]2C1	17301651	XUSAJVVXBPFOBY-FKEKPDDDSA-N	240.435	2.349	5	40	BEBB	
O=[N+]([O-])c1ccc(NCc2ccco2)nc1	20031408	DXUFBHDHPVBJLA-UHFFFAOYSA-N	219.200	2.195	5	40	BEBB	
COc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1	4739856	NGBJBYRZWIIOLP-UHFFFAOYSA-N	246.226	2.137	5	40	BEBB	
C[N@+]12CCCC[C@H]1[C@H](CCCO)CCC2	245231897	MBZRGAYZZWRWKM-MELADBBJSA-N	212.357	2.168	5	40	BEBB	
Cc1ccc2c(O)c([N+](=O)[O-])cnc2c1C	256054026	URDDIQGYWPHEFV-UHFFFAOYSA-N	218.212	2.465	5	40	BEBB	
CC[N+](C)(C)c1ccc(C)c(OC(=O)NC)c1	1706937	NLOGEROOBYNEFV-UHFFFAOYSA-O	237.323	2.300	5	40	BEBB	
CNc1cc([N+](=O)[O-])ccc1Br	1716344	MQROYKOBASWTOW-UHFFFAOYSA-N	231.049	2.399	5	40	BEBB	
COc1ccc(CC(C)(C)[N+](=O)[O-])cc1	96180984	XOMDMKZXUTVKMM-UHFFFAOYSA-N	209.245	2.293	5	40	BEBB	
O=[N+]([O-])c1ccc(F)c(OC(F)(F)F)c1O	604221687	VGEIYKCLIHCXKP-UHFFFAOYSA-N	241.096	2.338	5	40	BEBB	
CCOC(=O)Nc1cccc([N+](=O)[O-])c1C	2527944	UTVICKYWFUXPCS-UHFFFAOYSA-N	224.216	2.472	5	40	BEBB	in-vitro
Cc1cccc2c1[nH]c(=O)c1c(C)cc(=O)oc12	3850745	ZDFQCDATYSTTDM-UHFFFAOYSA-N	241.246	2.251	5	40	BEBB	
O=C1CCCCc2cc(O)c([N+](=O)[O-])cc21	5369153	FFCTYVXCAKBUKG-UHFFFAOYSA-N	221.212	2.210	5	40	BEBB	
NCC1(c2ccc([N+](=O)[O-])cc2)CCCC1	11848930	HMCJRULISANTGR-UHFFFAOYSA-N	220.272	2.365	5	40	BEBB	
O=[N+]([O-])c1ccc(CO)cc1C(F)(F)F	148743715	YTSGMLAGABTMQP-UHFFFAOYSA-N	221.134	2.106	5	40	BEBB	
Cn1c(/C=C/[N+](=O)[O-])cc2ccccc21	1719408	MFIKGARNCHFDPV-VOTSOKGWSA-N	202.213	2.426	5	40	BEBB	
Cc1cccc(Nc2ncn(C)c2[N+](=O)[O-])c1	5322646	IRWSJGZPRLMWML-UHFFFAOYSA-N	232.243	2.380	5	40	BEBB	
CCCNCc1ccc(C)c([N+](=O)[O-])c1	34995063	BZRQDUWTJKWBTK-UHFFFAOYSA-N	208.261	2.403	5	40	BEBB	
Cc1ccc(OC2CCNCC2)c([N+](=O)[O-])c1	42782885	OAQMUJMJCHTVDZ-UHFFFAOYSA-N	236.271	2.034	5	40	BEBB	
Cc1cn(Cc2ccccc2F)nc1[N+](=O)[O-]	334358656	TWWWIGXIZYPSEV-UHFFFAOYSA-N	235.218	2.287	5	40	BEBB	
O=[N+]([O-])c1cc(F)ccc1OC[C@H]1CCCO1	67800519	NWPSPBDAEKRJNK-SECBINFHSA-N	241.218	2.292	5	40	BEBB	
COc1cc(Cl)c(NC(C)=O)c([N+](=O)[O-])c1	216732835	DBRRPWKXBCTRAI-UHFFFAOYSA-N	244.634	2.215	5	40	BEBB	
CC1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	231412	KCBXNERIABHJHP-UHFFFAOYSA-N	248.282	2.467	5	40	BEBB	
CNc1cc(C)c2ncccc2c1[N+](=O)[O-]	96029320	ZPIPENTWMCHUOG-UHFFFAOYSA-N	217.228	2.493	5	40	BEBB	
CCCNc1ccc(C(=O)O)cc1[N+](=O)[O-]	3913732	OVDGUTHABMXVMI-UHFFFAOYSA-N	224.216	2.115	5	40	BEBB	in-vitro
COc1cc([N+](=O)[O-])ccc1OC(F)F	71791983	PYIWWUORUHXNAZ-UHFFFAOYSA-N	219.143	2.205	5	40	BEBB	
CC(C)n1nc([N+](=O)[O-])cc1C(F)(F)F	12399028	TXGGGMROASTGGS-UHFFFAOYSA-N	223.154	2.391	5	40	BEBB	
O=[N+]([O-])c1ccnc(-c2ccccn2)c1	39248197	CIFFKJLQHWQTIT-UHFFFAOYSA-N	201.185	2.052	5	40	BEBB	
O=[N+]([O-])c1ccn(CCc2ccccc2)n1	71978599	ISMNKKXDTAICEQ-UHFFFAOYSA-N	217.228	2.034	5	40	BEBB	
CC(C)Nc1nn(C(C)C)cc1[N+](=O)[O-]	95098514	ZYAZROCZAYQGTQ-UHFFFAOYSA-N	212.253	2.193	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CCC[C@H]2[C@H]3O)CCCC1	217546278	XPLDIPBUNDHFNG-CRWXNKLISA-N	224.368	2.166	5	40	BEBB	
Cc1cc(N)nc2c1c(=O)oc1ccccc12	22205505	FLUOSMLVPKSEEE-UHFFFAOYSA-N	226.235	2.232	5	40	BEBB	
COC(=O)C1(c2ccc([N+](=O)[O-])cc2)CCC1	141143622	SHFZCNVCHWMUCS-UHFFFAOYSA-N	235.239	2.190	5	40	BEBB	
Cc1ccc(OCc2nnc(C)o2)c([N+](=O)[O-])c1	24733299	IFMQVBXXONLICV-UHFFFAOYSA-N	249.226	2.174	5	40	BEBB	
CC(C)/C=C/[C@H](O)[C@H](Cc1ccccc1)[N+](=O)[O-]	68606203	LMZZDULMEREUDZ-CFYKVZDHSA-N	249.310	2.448	5	40	BEBB	
CC(C)(C)NCc1cccc([N+](=O)[O-])c1	6882587	SBNIXZHDUMUUKW-UHFFFAOYSA-N	208.261	2.483	5	40	BEBB	
Cc1cc(C)n(C(=O)c2cccc([N+](=O)[O-])c2)n1	247356	SRYHHIKCZRBRLU-UHFFFAOYSA-N	245.238	2.097	5	40	BEBB	
CN(C)[C@@H]1[C@H]2CC[C@](C)([C@@H]1[N+](C)(C)C)C2(C)C	100364807	HHDIWALGULTOCF-RGCMKSIDSA-N	239.427	2.448	5	40	BEBB	
O=[N+]([O-])c1c(Br)ccnc1Cl	88190136	DMFUXHLZLWHMJM-UHFFFAOYSA-N	237.440	2.406	5	40	BEBB	in-vitro
CCOC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1	95215851	HQAWZQFZCRXDKW-UHFFFAOYSA-N	244.634	2.007	5	40	BEBB	
O=[N+]([O-])c1cc([C@@H](O)C(F)(F)F)ccc1F	1536091226	FQNUCFISRJQPHZ-SSDOTTSWSA-N	239.124	2.330	5	40	BEBB	
O=[N+]([O-])c1ccc(F)cc1OC(F)F	47203259	ZVZMBGQCIYWPBE-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	in-vitro
CSCCCNc1cc(C)c([N+](=O)[O-])cn1	73000434	DAUPLZLDHXTWLZ-UHFFFAOYSA-N	241.316	2.463	5	40	BEBB	
Cc1cnc(OCc2ccccn2)c([N+](=O)[O-])c1	79021329	WIMVGOFRKQHYKL-UHFFFAOYSA-N	245.238	2.272	5	40	BEBB	
O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCC[C@H]1O	225724191	UKGJUSBSYPVXLQ-GZMMTYOYSA-N	240.234	2.059	5	40	BEBB	
CC(C)Oc1ccc(C=O)cc1[N+](=O)[O-]	20156219	UXEDVOJZLGKYHD-UHFFFAOYSA-N	209.201	2.195	5	40	BEBB	
CN(C)c1nc(=O)c2c(ccc3ccccc32)o1	1611189	VXJCWYPPEPHYSJ-UHFFFAOYSA-N	240.262	2.407	5	40	BEBB	
COC(/C=C\c1ccc([N+](=O)[O-])cc1)OC	17286672	VDHKGYLYSYUPHZ-YVMONPNESA-N	223.228	2.227	5	40	BEBB	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])CCCC2	68675207	PJWZONALQGOJNS-UHFFFAOYSA-N	234.255	2.432	5	40	BEBB	
OC[C@@H]1C[C@H]2CCCC[N+]2(Cc2ccccc2)O1	12338491	RTNPHJYOQAZHEN-YSPPHNQVSA-N	248.346	2.252	5	40	BEBB	
O=[N+]([O-])c1ccccc1CNCC(F)(F)F	20070251	YVMSPFWYRANZGU-UHFFFAOYSA-N	234.177	2.247	5	40	BEBB	
COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F	88121872	AFGXSZFDAXFRAW-UHFFFAOYSA-N	233.582	2.174	5	40	BEBB	
CCn1cc([N+](=O)[O-])c(NC2CCCC2)n1	95098544	FLGGRDJYUZHQOZ-UHFFFAOYSA-N	224.264	2.166	5	40	BEBB	
O=C(O)CCNc1c(Cl)cccc1[N+](=O)[O-]	11113827	OCDDWDJKVJWSBP-UHFFFAOYSA-N	244.634	2.135	5	40	BEBB	
O=[N+]([O-])c1ccc(F)cc1N[C@H]1CCC[C@@H]1O	225724212	UKGJUSBSYPVXLQ-KWQFWETISA-N	240.234	2.059	5	40	BEBB	
CCOC(=O)c1ccc(OCC)cc1[N+](=O)[O-]	346141	NGISVMHTXLYNAP-UHFFFAOYSA-N	239.227	2.170	5	40	BEBB	
CSc1nc2ccc([N+](=O)[O-])cc2o1	174888	SMPNPJSWVLTCKE-UHFFFAOYSA-N	210.214	2.458	5	40	BEBB	
Cc1ccc(Sc2ncn[nH]2)c([N+](=O)[O-])c1	70462244	NZESQVSEUCUJJC-UHFFFAOYSA-N	236.256	2.173	5	40	BEBB	
NCc1ccc2ccccc2c1[N+](=O)[O-]	196400123	VTDNIIGIAKXLGY-UHFFFAOYSA-N	202.213	2.207	5	40	BEBB	
O=C(CCc1ccccc1)n1cc([N+](=O)[O-])cn1	86262	PNWVXCICUDBPSU-UHFFFAOYSA-N	245.238	2.064	5	40	BEBB	
CCCCN(C)C(=O)c1ccccc1[N+](=O)[O-]	20428691	JLOMLPFEEAROFD-UHFFFAOYSA-N	236.271	2.467	5	40	BEBB	
O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1O	144946650	APEFIKQAYLBPMH-UHFFFAOYSA-N	225.097	2.458	5	40	BEBB	
NCc1cccc(C(F)(F)F)c1[N+](=O)[O-]	169801718	FECRIFGARHDPAX-UHFFFAOYSA-N	220.150	2.072	5	40	BEBB	
O=C(Nc1cccc([N+](=O)[O-])c1)C1CCC1	243206	YGYICSAGQSYTID-UHFFFAOYSA-N	220.228	2.333	5	40	BEBB	
CC(C)C(=O)Nc1cc([N+](=O)[O-])ccc1F	5380305	UVWFIVGTORQXLC-UHFFFAOYSA-N	226.207	2.328	5	40	BEBB	
O=[N+]([O-])c1cnn(Cc2cc(F)ccc2F)c1	71978656	PTFDNQDDNADTCD-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
Cc1c(Br)cc(O)cc1[N+](=O)[O-]	14983109	LLKQWSMTQJRDCZ-UHFFFAOYSA-N	232.033	2.371	5	40	BEBB	
CN(C)C(=O)Sc1cccc([N+](=O)[O-])c1	5064819	XOEQSLOXCQIAOM-UHFFFAOYSA-N	226.257	2.369	5	40	BEBB	
O=[N+]([O-])c1ccc(-n2cc(Cl)cn2)cc1	72334135	JZIKLPMGHGNVPA-UHFFFAOYSA-N	223.619	2.434	5	40	BEBB	
O=C(O)c1cc(=O)oc2ccc3ncccc3c12	85399823	YCJFFZUANFNLFV-UHFFFAOYSA-N	241.202	2.039	5	40	BEBB	
CCC[C@H](O)CNc1ccccc1[N+](=O)[O-]	71900412	POLNGMOEZZUDMG-VIFPVBQESA-N	224.260	2.168	5	40	BEBB	
CC1(C)CC([N+](C)(C)C)CC(C)(C)N1[O]	100252823	GGKNTGJPGZQNID-UHFFFAOYSA-N	214.353	2.060	5	40	BEBB	
CCOC(=O)Nc1ccc(OC)c([N+](=O)[O-])c1	3163827	PFRVFZBTJQGCRJ-UHFFFAOYSA-N	240.215	2.172	5	40	BEBB	
O=c1ccc2nc3ccc(O)cc3sc-2c1	4777623	GSEOMGSFLQCKRO-UHFFFAOYSA-N	229.260	2.467	5	40	BEBB	
O=c1[nH]c2cc(Cl)c([N+](=O)[O-])c(Cl)c2o1	40545781	QVIKFUAGDIVSST-UHFFFAOYSA-N	249.009	2.336	5	40	BEBB	
O=C(O)CCc1c[nH]c2cccc([N+](=O)[O-])c12	1857793139	UFRZCJIRPOCNPA-UHFFFAOYSA-N	234.211	2.093	5	40	BEBB	
O=C(O)c1cc2ccc([N+](=O)[O-])cc2o1	39418014	KROYLRGNLSKXHM-UHFFFAOYSA-N	207.141	2.039	5	40	BEBB	
COCCSc1ccc([N+](=O)[O-])cc1F	89420251	BINQPZHEQSKCHD-UHFFFAOYSA-N	231.248	2.472	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1CC1CC1)OCCO2	32518	LMMWLAGBPVCKCX-UHFFFAOYSA-N	235.239	2.319	5	40	BEBB	
CCN1CCN(c2ccc([N+](=O)[O-])cc2C)CC1	45886017	QQOLZRGYTOPHJV-UHFFFAOYSA-N	249.314	2.045	5	40	BEBB	
COC(=O)c1cc([N+](=O)[O-])c(C)c(C)c1OC	57339798	XFWKAOUPXHLZCJ-UHFFFAOYSA-N	239.227	2.007	5	40	BEBB	
CCOc1cc([N+](=O)[O-])cc(C=O)c1OCC	225275478	SINBZSBYFCAIDW-UHFFFAOYSA-N	239.227	2.205	5	40	BEBB	
O=C(O)c1cc2ccccc2cc1[N+](=O)[O-]	39263556	BYIUVFKAWSUUPU-UHFFFAOYSA-N	217.180	2.446	5	40	BEBB	
Nc1cc([N+](=O)[O-])ccc1NCc1ccco1	52840140	WLOAUVOFBNBFHZ-UHFFFAOYSA-N	233.227	2.382	5	40	BEBB	
CN([C@H](CO)c1cccc(Br)c1)S(=O)(=O)Cc1cccc([N+](=O)[O-])c1	97371008	XONVDBHBIGNZGZ-YNEHKIRRSA-N	429.292	2.853	5	40	BEBB	
O=[N+]([O-])c1ccc(C2CCNCC2)cc1F	75904663	BIVUHQKTPWRLHW-UHFFFAOYSA-N	224.235	2.201	5	40	BEBB	
CNCC(C)(C)c1ccc([N+](=O)[O-])cc1	1691112	YBOVTEPXFBGXTO-UHFFFAOYSA-N	208.261	2.092	5	40	BEBB	
CCOCCOc1ccc([N+](=O)[O-])cc1	2030298	VAJZECWEVORKHT-UHFFFAOYSA-N	211.217	2.010	5	40	BEBB	
Cc1ccccc1Cn1cc([N+](=O)[O-])ccc1=O	12693768	XSJFBRSKWZFVSJ-UHFFFAOYSA-N	244.250	2.113	5	40	BEBB	
CC(C)(O)Cc1ccccc1C[N+](C)(C)C	1713502	ZGQTXEHMWHOQAJ-UHFFFAOYSA-N	222.352	2.206	5	40	BEBB	
Nc1ccc([C@@H](O)c2ccccc2)cc1[N+](=O)[O-]	21951245	GBDIHFMPEGTCBK-ZDUSSCGKSA-N	244.250	2.259	5	40	BEBB	in-vitro
CCC1([N+](=O)[O-])COC2(CCCCC2)OC1	1631385	LIYKKPDQKTUJFW-UHFFFAOYSA-N	229.276	2.119	5	40	BEBB	
COc1ccc2c(c1[N+](=O)[O-])CCCC2=O	39386055	KVJWCFCHDPZOQF-UHFFFAOYSA-N	221.212	2.122	5	40	BEBB	
O=[N+]([O-])c1ccc(OCC2CCC2)nc1	39325846	JQLCPQKFLHRBHF-UHFFFAOYSA-N	208.217	2.169	5	40	BEBB	
Cc1cc(CNC2CC2)ccc1[N+](=O)[O-]	98181623	FIAGZXBARWZFHN-UHFFFAOYSA-N	206.245	2.155	5	40	BEBB	
O=[N+]([O-])c1ccc(OC(F)F)c(F)c1	39596524	GJLRUCVWLFOGHP-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	
O=C(O)C[C@@H](C[N+](=O)[O-])c1ccccc1Cl	57534360	LUBMHQFHRJJOJU-ZETCQYMHSA-N	243.646	2.175	5	40	BEBB	
O=Cc1cncc(-c2ccc([N+](=O)[O-])cc2)c1O	263616584	JNPKMHZQASGXCT-UHFFFAOYSA-N	244.206	2.175	5	40	BEBB	
CN(c1c([N+](=O)[O-])ncn1C)C1CCCCC1	7124608	XYQFWIATLANZNJ-UHFFFAOYSA-N	238.291	2.097	5	40	BEBB	
CC1([N+](=O)[O-])COC(/C=C\c2ccccc2)OC1	16892750	VIYFVENSVVXDKK-FPLPWBNLSA-N	249.266	2.108	5	40	BEBB	
O=c1oc2cc(O)ccc2c2cc(O)ccc12	38674378	WDGSXHQNUPZEHA-UHFFFAOYSA-N	228.203	2.357	5	40	BEBB	
Cc1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1	347898	HDLJETGGLSFOOE-UHFFFAOYSA-N	229.259	2.239	5	40	BEBB	
O=[N+]([O-])c1cc2c3c(c1)CCCN3CCC2	45920185	BMDCDJCEUIDQDK-UHFFFAOYSA-N	218.256	2.294	5	40	BEBB	
O=[N+]([O-])c1ccc(OC[C@@H]2CCCO2)c(F)c1	67800529	OISHSMPORQLPPV-VIFPVBQESA-N	241.218	2.292	5	40	BEBB	
CN(C)[C@H]1[C@@H]([N+](C)(C)C)[C@]2(C)CC[C@@H]1C2(C)C	100364812	HHDIWALGULTOCF-JLNYLFASSA-N	239.427	2.448	5	40	BEBB	
CCSC(=O)c1ccc([N+](=O)[O-])o1	1608594	BIKPMVNWCZMWOB-UHFFFAOYSA-N	201.203	2.081	5	40	BEBB	
CC(C)n1cc([N+](=O)[O-])c(OCC(F)F)n1	95098491	VYCFTWCQBZDVPW-UHFFFAOYSA-N	235.190	2.016	5	40	BEBB	
Nc1ccc2c(c1)[nH]c(=O)c1ccccc12	17989013	DCUQUNJESLMZPF-UHFFFAOYSA-N	210.236	2.264	5	40	BEBB	
Cc1cc(=O)c2ccc3cnccc3c2[nH]1	72207041	HLSKAWHXSGPOOE-UHFFFAOYSA-N	210.236	2.385	5	40	BEBB	
Cc1nn(CC(=O)C(C)(C)C)c(C)c1[N+](=O)[O-]	3343925	FSXIDWISSNTWNH-UHFFFAOYSA-N	239.275	2.023	5	40	BEBB	
COc1cc([N+](=O)[O-])c(O)c2c(C)cc(C)nc12	8782779	MELOSDTZRSNBKR-UHFFFAOYSA-N	248.238	2.474	5	40	BEBB	
C[C@H](CO)Sc1ccc(F)cc1[N+](=O)[O-]	78676207	ZFHOPKNMOFVPST-ZCFIWIBFSA-N	231.248	2.207	5	40	BEBB	
CC(=O)n1nc(Cl)c2ccc([N+](=O)[O-])cc21	1572342	QDKOMMLWBMJNAX-UHFFFAOYSA-N	239.618	2.258	5	40	BEBB	
O=[N+]([O-])c1ccccc1CSc1ncn[nH]1	7603422	CZGLFUJFPSSMHM-UHFFFAOYSA-N	236.256	2.005	5	40	BEBB	
CCn1cc([N+](=O)[O-])c(NCc2ccco2)n1	95098538	QDAMJKQVGGGVCU-UHFFFAOYSA-N	236.231	2.016	5	40	BEBB	
Cc1c(F)cc(Br)c(N)c1[N+](=O)[O-]	238483094	FQWJDZZTHPVBTI-UHFFFAOYSA-N	249.039	2.387	5	40	BEBB	
Cn1cnc([N+](=O)[O-])c1Sc1ccccc1	147688	JSTDAVYXINFTFX-UHFFFAOYSA-N	235.268	2.480	5	40	BEBB	
CC(=O)Nc1cc([N+](=O)[O-])c(N)c2ccccc12	5186294	ISOVMBUGYYZMET-UHFFFAOYSA-N	245.238	2.289	5	40	BEBB	
O=C(NCc1ccccc1)c1ccc([N+](=O)[O-])o1	66723	PCZTWTWJVSEJSX-UHFFFAOYSA-N	246.222	2.118	5	40	BEBB	
CC[C@H]([C@H](O)c1ccc(Cl)cc1)[N+](=O)[O-]	1672916	UBUNZDNQICLZHE-NXEZZACHSA-N	229.663	2.429	5	40	BEBB	
O=[N+]([O-])c1cn[nH]c1Nc1ccc(F)cc1	4002960	WZEBZIAPJQDLJV-UHFFFAOYSA-N	222.179	2.201	5	40	BEBB	
CCc1ccc(OCCOC)c([N+](=O)[O-])c1	71908699	CGINHLGJQDLAEZ-UHFFFAOYSA-N	225.244	2.182	5	40	BEBB	
O=C1CCCC[C@@H]1[C@H](O)c1cccc([N+](=O)[O-])c1	3017193	OFFGBOIAXPIJKZ-WCQYABFASA-N	249.266	2.388	5	40	BEBB	biogenic
Cc1nc2c(=O)oc3ccccc3c2nc1C	848820	CIMKMOPUESKYNL-UHFFFAOYSA-N	226.235	2.353	5	40	BEBB	
OC[C@@H]1C[C@@H]2CCCC[N+]2(Cc2ccccc2)O1	12338490	RTNPHJYOQAZHEN-KSCSMHSMSA-N	248.346	2.252	5	40	BEBB	
COc1ccc(-c2cccc([N+](=O)[O-])c2)nn1	61966088	KDASWBVVCLSJIW-UHFFFAOYSA-N	231.211	2.060	5	40	BEBB	
O=c1c2ccccc2nc2c3ccccc3ncn12	76141	MBXQOZNRJDGWHA-UHFFFAOYSA-N	247.257	2.396	5	40	BEBB	
C[C@H]1Cc2ccc(OCC[N+](C)(C)C)cc2C1=O	1668185	DXSNTTVDHPTUFI-NSHDSACASA-N	248.346	2.147	5	40	BEBB	
CC(C)[C@H](CCO)Nc1ccc([N+](=O)[O-])cc1	76061350	IDGJQCITPRJBEY-LBPRGKRZSA-N	238.287	2.414	5	40	BEBB	
O=[N+]([O-])[C@H]1CC=CC[C@@H]1c1ccc2c(c1)OCO2	1599795	WFPHZRSWFPQSHM-MNOVXSKESA-N	247.250	2.494	5	40	BEBB	
CC(=O)Cc1c(Cl)cccc1[N+](=O)[O-]	1705014	BEDTWFGUSVIAKD-UHFFFAOYSA-N	213.620	2.380	5	40	BEBB	
Cc1cc2cc(O)c([N+](=O)[O-])cc2n1C	32236733	LDKJCZFMASHXCF-UHFFFAOYSA-N	206.201	2.101	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2csnn2)c1	34797527	MYLRSQWTYDXVCE-UHFFFAOYSA-N	207.214	2.113	5	40	BEBB	
CCNC(=S)Nc1cc([N+](=O)[O-])ccc1C	7522831	YKQSEJPEDMSPFL-UHFFFAOYSA-N	239.300	2.210	5	40	BEBB	
C[C@H](C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1	34623967	ZUMGMEDTUNEISY-YFKPBYRVSA-N	229.619	2.436	5	40	BEBB	
CN(Cc1cccnc1)c1ccc([N+](=O)[O-])cn1	32735905	XUNOZBKOXGQNPB-UHFFFAOYSA-N	244.254	2.021	5	40	BEBB	
O=[N+]([O-])c1cc(F)ccc1[C@@H](O)C(F)(F)F	1857793233	SUOOVFRRRYZAMT-SSDOTTSWSA-N	239.124	2.330	5	40	BEBB	
CCc1nc(Cl)c([N+](=O)[O-])c(Cl)n1	1628005	RBGNCLAOWBJWLD-UHFFFAOYSA-N	222.031	2.254	5	40	BEBB	
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1/C=C/C(=O)O	44201191	KNSPBWVQNGORIL-HWKANZROSA-N	246.222	2.482	5	40	BEBB	
N[C@@H]1[C@H]2CC[C@@H]1Cc1ccc([N+](=O)[O-])cc1C2	95917825	FYKNRHVDYJBERM-NRUUGDAUSA-N	232.283	2.047	5	40	BEBB	
Cc1ccc(Oc2ncnc(N)c2[N+](=O)[O-])cc1	3912741	LAHZFYULIPFJAW-UHFFFAOYSA-N	246.226	2.068	5	40	BEBB	
CN(C)c1c(Cl)cccc1[N+](=O)[O-]	22124648	AMHCHWZVYGFSNK-UHFFFAOYSA-N	200.625	2.314	5	40	BEBB	
O=[N+]([O-])Cc1ccc(Br)cc1	34485084	XELWURJCOUZILE-UHFFFAOYSA-N	216.034	2.226	5	40	BEBB	
Nc1nc(NC2CCCCC2)ccc1[N+](=O)[O-]	32826020	XYFBGTPEELKZEX-UHFFFAOYSA-N	236.275	2.317	5	40	BEBB	
O=C1[C@H]2CC[C@@H]1Cc1ccc([N+](=O)[O-])cc1C2	39374915	ZGNGAFFWBUDNCA-ZJUUUORDSA-N	231.251	2.289	5	40	BEBB	
CS[C@H](C)CNc1ncc([N+](=O)[O-])cc1C	92687798	HFSCIFKJWUSBDM-MRVPVSSYSA-N	241.316	2.462	5	40	BEBB	
COCC[N+](C)(C)Cc1ccccc1C	1686782	YHXQBOYBEWZWPB-UHFFFAOYSA-N	208.325	2.218	5	40	BEBB	
O=[N+]([O-])c1ccccc1Sc1ncc[nH]1	39415321	FILREWYTDPRLQT-UHFFFAOYSA-N	221.241	2.469	5	40	BEBB	
COC(=O)c1cc(F)cc([N+](=O)[O-])c1Cl	575712943	RSHZGECJCMLXLO-UHFFFAOYSA-N	233.582	2.174	5	40	BEBB	
COc1ccc2c(Cl)ncnc2c1[N+](=O)[O-]	888088157	ZJDKWTVPGJQPCG-UHFFFAOYSA-N	239.618	2.200	5	40	BEBB	
C[n+]1ccc(Cc2ccc([N+](=O)[O-])cc2)cc1	16248990	CEIJABDUXWSVHY-UHFFFAOYSA-N	229.259	2.010	5	40	BEBB	
CCSC(=O)c1ccc([N+](=O)[O-])cc1	2580773	OCUSVOYGBFETNB-UHFFFAOYSA-N	211.242	2.488	5	40	BEBB	
O=[N+]([O-])c1ccc(F)cc1OCC(F)F	12396744	XXXTXNBEYNHBIE-UHFFFAOYSA-N	221.134	2.378	5	40	BEBB	
COC(=O)c1c[nH]cc1-c1ccc([N+](=O)[O-])cc1	72266386	BJRIFKSPQVQBLA-UHFFFAOYSA-N	246.222	2.377	5	40	BEBB	
O=[N+]([O-])c1cc([C@H](O)C(F)(F)F)ccc1F	1536091391	FQNUCFISRJQPHZ-ZETCQYMHSA-N	239.124	2.330	5	40	BEBB	
CCCOc1ccc(C=O)cc1[N+](=O)[O-]	20156217	OICSCUSMQHWTKO-UHFFFAOYSA-N	209.201	2.196	5	40	BEBB	
O=C1CCC[C@H]1c1ccc([N+](=O)[O-])cc1	169800179	CNTWWEYDXOXZDB-JTQLQIEISA-N	205.213	2.431	5	40	BEBB	
C[N+]1(C[C@@H](O)c2ccccc2)CCCCC1	1668361	IEADNMPFIZOXRF-CQSZACIVSA-N	220.336	2.351	5	40	BEBB	
CCc1cc([N+](=O)[O-])cc(Cl)c1N	59772893	XXPJIWVGQWPENC-UHFFFAOYSA-N	200.625	2.393	5	40	BEBB	
O=[N+]([O-])c1ccn(CCCc2ccccc2)n1	67799160	ZIWTWSFZCWKHLJ-UHFFFAOYSA-N	231.255	2.424	5	40	BEBB	
CCCOc1c(C)cc([N+](=O)[O-])cc1C(=O)O	225279579	KFMYTAOOVDEYRJ-UHFFFAOYSA-N	239.227	2.390	5	40	BEBB	
O=C(O)/C=C/c1cc(Cl)ccc1[N+](=O)[O-]	2558076	PXHIUBAKYZFXKE-DAFODLJHSA-N	227.603	2.346	5	40	BEBB	in-vitro
Cc1cc(-c2nc(C(=O)O)co2)ccc1[N+](=O)[O-]	51075348	GYXVJNGQMNJIRE-UHFFFAOYSA-N	248.194	2.256	5	40	BEBB	
O=c1cc(O)[nH]c2c1ccc1ccccc12	3944809	FFMGXYBMJBXONZ-UHFFFAOYSA-N	211.220	2.387	5	40	BEBB	
Cc1noc(COc2cc([N+](=O)[O-])ccc2C)n1	42180354	AEBBLKGEWACVPH-UHFFFAOYSA-N	249.226	2.174	5	40	BEBB	
Cc1cc([N+](=O)[O-])cnc1NCCc1ccc[nH]1	97033576	PEDUUQVEYOSTMV-UHFFFAOYSA-N	246.270	2.281	5	40	BEBB	
Cc1c(-n2cccc2CO)cccc1[N+](=O)[O-]	223738719	XUTMIJPCALZXDI-UHFFFAOYSA-N	232.239	2.186	5	40	BEBB	
CCc1c(O)nc2cc([N+](=O)[O-])ccc2c1O	685937364	QQXUJOAYBGTEMJ-UHFFFAOYSA-N	234.211	2.117	5	40	BEBB	
CC(C)(C)OC(=O)NCCCCCC[N+](=O)[O-]	1857793814	BCDOXFSAWXYGDW-UHFFFAOYSA-N	246.307	2.348	5	40	BEBB	
O=[N+]([O-])c1ccc2[nH]nc(C(F)F)c2c1	575629346	RHQJVHKIUVUJEL-UHFFFAOYSA-N	213.143	2.409	5	40	BEBB	
CCCOc1ccc([N+](=O)[O-])cc1C(=O)O	2024142	HGPYVAARUVZKNW-UHFFFAOYSA-N	225.200	2.082	5	40	BEBB	
CN(C)C(=O)Sc1ccc([N+](=O)[O-])cc1	5064808	QKSKIUDSFMQCKY-UHFFFAOYSA-N	226.257	2.369	5	40	BEBB	
Cc1ccc(O[C@H]2CCCNC2)c([N+](=O)[O-])c1	42782884	LLRPRAJCQBGPSZ-JTQLQIEISA-N	236.271	2.034	5	40	BEBB	
CCCCO[C@@H]1OC[N+](C)(C)CC1(C)C	1568631	CGMXUPIKXVRGAJ-LLVKDONJSA-N	216.345	2.220	5	40	BEBB	
O=Cc1c(O)ccc2cc([N+](=O)[O-])ccc12	3190907	NSMXSOJJDHNPSX-UHFFFAOYSA-N	217.180	2.266	5	40	BEBB	in-vitro
Cc1ccc(Nc2ncc([N+](=O)[O-])c(N)n2)cc1	32777851	KOEMAHFWTOUVIM-UHFFFAOYSA-N	245.242	2.019	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2nc(CO)cs2)c1	82086236	QAOQIVNGNVBXJI-UHFFFAOYSA-N	236.252	2.211	5	40	BEBB	in-vitro
CCOc1c(Cl)cc(C=O)cc1[N+](=O)[O-]	216942756	JITCRCGBEYVTLO-UHFFFAOYSA-N	229.619	2.459	5	40	BEBB	
CN(Cc1ccccc1[N+](=O)[O-])C(=O)C1CCC1	40509268	LBNYWNJBHLVHPI-UHFFFAOYSA-N	248.282	2.353	5	40	BEBB	
CCN1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1	45886037	IDEAXJNDVQLKFG-UHFFFAOYSA-N	249.314	2.045	5	40	BEBB	
Cc1ccc(C)n1Nc1ncccc1[N+](=O)[O-]	59549664	PCMBCBIWZQLIKM-UHFFFAOYSA-N	232.243	2.283	5	40	BEBB	
CCC(=O)NCCCC[C@H]1CCCC[N+]1(C)C	4748015	SVXMMCMDUYTGFU-ZDUSSCGKSA-O	241.399	2.312	5	40	BEBB	
CCn1cc(COc2ccc([N+](=O)[O-])cc2)cn1	72209591	TWHCUSORCZBCFK-UHFFFAOYSA-N	247.254	2.390	5	40	BEBB	
O=[N+]([O-])c1c[nH]c2ncc(C(F)(F)F)cc12	22995868	DVZJILBDNDRDCF-UHFFFAOYSA-N	231.133	2.490	5	40	BEBB	
CC(C)(C)OC(=O)Nc1ccnc([N+](=O)[O-])c1	38665649	MZQAHTFOFNOBFK-UHFFFAOYSA-N	239.231	2.337	5	40	BEBB	
O=[N+]([O-])c1ncn(CCCC2CCCC2)n1	81275742	VSOWBYBKFVLCBL-UHFFFAOYSA-N	224.264	2.157	5	40	BEBB	
CCc1c(O)nc2cccc([N+](=O)[O-])c2c1O	685937433	URPQYGVSDJCDQV-UHFFFAOYSA-N	234.211	2.117	5	40	BEBB	
CCCC(=O)Nc1cc([N+](=O)[O-])ccc1F	492028	ASPOFLBHLPWSFB-UHFFFAOYSA-N	226.207	2.473	5	40	BEBB	
CCSCCNc1ccc([N+](=O)[O-])cn1	19874166	IDBSZEIYJPLESP-UHFFFAOYSA-N	227.289	2.155	5	40	BEBB	
O=[N+]([O-])c1ccc(OCC(F)F)cc1	12395034	KRXKWFVOIJTODE-UHFFFAOYSA-N	203.144	2.239	5	40	BEBB	
O=[N+]([O-])c1ccc(NCc2ccc(O)cc2)nc1	34546985	VTLVBVWHCUGQCD-UHFFFAOYSA-N	245.238	2.308	5	40	BEBB	
O=C1CC(=O)CC(c2ccccc2[N+](=O)[O-])C1	40448143	YBDZTIWXOFETFR-UHFFFAOYSA-N	233.223	2.001	5	40	BEBB	
Cc1cc(N[C@H](C)CO)c(Cl)cc1[N+](=O)[O-]	96452676	OOZXGFUSHCJNBM-SSDOTTSWSA-N	244.678	2.349	5	40	BEBB	
CCc1nnc2c3cc4ccccc4n3cnn12	1572604	XOHIPYQAUOSQTR-UHFFFAOYSA-N	237.266	2.093	5	40	BEBB	
CC(C)COc1ccc(C(=O)O)cc1[N+](=O)[O-]	19264351	ZYNKOQUUIOQJKF-UHFFFAOYSA-N	239.227	2.328	5	40	BEBB	
C[N+]1(C)CCC[C@@](CO)(c2ccccc2)CC1	1593299	XSBHQHNCEYYAHA-OAHLLOKOSA-N	234.363	2.177	5	40	BEBB	
Cc1cc(-c2cc(N)on2)ccc1[N+](=O)[O-]	20078710	ZWOLOQQEDWSNMM-UHFFFAOYSA-N	219.200	2.140	5	40	BEBB	
Cc1ccc([N+](=O)[O-])c2[nH]c(C(=O)O)cc12	69476316	JSUMKFMYTCTHTB-UHFFFAOYSA-N	220.184	2.083	5	40	BEBB	
COc1cc([N+](=O)[O-])ccc1OCC(F)F	72209424	XKFRJCVDEUGIDG-UHFFFAOYSA-N	233.170	2.247	5	40	BEBB	
O=Cc1cc([N+](=O)[O-])ccc1OC(F)F	65171	YERTUMJMWKSDIU-UHFFFAOYSA-N	217.127	2.009	5	40	BEBB	
O=[N+]([O-])c1ccc(-c2nc(CO)cs2)cc1	83942704	JLXZIJGWBYCZMJ-UHFFFAOYSA-N	236.252	2.211	5	40	BEBB	
COc1cc([N+](=O)[O-])c(N)cc1C(F)(F)F	198441321	ITYOSBULVSXIHN-UHFFFAOYSA-N	236.149	2.204	5	40	BEBB	
CC[C@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1	5665622	VVMKCWZIRKHGHI-YFKPBYRVSA-N	229.261	2.036	5	40	BEBB	
CCn1c([C@H](C)O)nc2cc([N+](=O)[O-])ccc21	14988481	NDJGHNYIENKVSA-ZETCQYMHSA-N	235.243	2.018	5	40	BEBB	
C[C@@H](C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1	34623969	ZUMGMEDTUNEISY-RXMQYKEDSA-N	229.619	2.436	5	40	BEBB	
COc1c(Cl)cc([N+](=O)[O-])cc1C=O	84326851	MPLQJIGFQWHKII-UHFFFAOYSA-N	215.592	2.069	5	40	BEBB	
COc1c([N+](=O)[O-])cnc2ccccc12	40539509	DBXXYTQKRUWBMU-UHFFFAOYSA-N	204.185	2.152	5	40	BEBB	
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1	60645096	LDILOMAKISPPSF-UHFFFAOYSA-N	234.255	2.398	5	40	BEBB	
CCCCCC1(C)OCC(C)([N+](=O)[O-])CO1	1682254	TZPMGBXFJMOFEQ-UHFFFAOYSA-N	231.292	2.365	5	40	BEBB	
NN(Cc1ccccc1[N+](=O)[O-])c1ccccc1	1563965	SCZXRUYBEZZKRI-UHFFFAOYSA-N	243.266	2.475	5	40	BEBB	
O=c1c2cccc(O)c2oc2c(O)ccc(O)c12	14821978	HFSVZCUBASBXKP-UHFFFAOYSA-N	244.202	2.063	5	40	BEBB	biogenic
Cn1c(C(=O)O)ccc1-c1ccc([N+](=O)[O-])cc1	36917862	FPHZUWIPRANASX-UHFFFAOYSA-N	246.222	2.299	5	40	BEBB	
Cn1c(=O)cc(O)c2ccc3ccccc3c21	16363574	MMBWHKBZNBESHC-UHFFFAOYSA-N	225.247	2.397	5	40	BEBB	
Nc1nc(NCc2ccccc2)ccc1[N+](=O)[O-]	38591077	RAGAMBSCSBOXBU-UHFFFAOYSA-N	244.254	2.184	5	40	BEBB	
COc1nc2cc([N+](=O)[O-])ccc2s1	85554845	RTCUQAOADSIOBB-UHFFFAOYSA-N	210.214	2.213	5	40	BEBB	
Cc1ncc([N+](=O)[O-])n1CCOc1ccccc1	13281253	HGYKMJWNDXFZHC-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
COc1cc(/C=C(/C)[N+](=O)[O-])cc2c1OCO2	5179018	URIZGFKLZDNSIH-CLTKARDFSA-N	237.211	2.061	5	40	BEBB	in-vitro
O=[N+]([O-])c1cccc(F)c1OC(F)F	47203257	IJEQFBATOJWEGM-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	
CCNc1cc(OC)c(OC)cc1[N+](=O)[O-]	121526132	PPAYIXFULXNERL-UHFFFAOYSA-N	226.232	2.044	5	40	BEBB	
O=C(Nc1cccnc1)c1ccc([N+](=O)[O-])s1	13134319	IVMMYCGLUCFHEN-UHFFFAOYSA-N	249.251	2.304	5	40	BEBB	
Cc1cc(-c2csnn2)c(O)c([N+](=O)[O-])c1	35827647	PVDZCDJSMDQCBL-UHFFFAOYSA-N	237.240	2.127	5	40	BEBB	
O=C(O)Cc1ccc(C(F)(F)F)c([N+](=O)[O-])c1	84316921	JNYXIDXDESMHBW-UHFFFAOYSA-N	249.144	2.241	5	40	BEBB	
Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	1610679	FXMUNKFQIKDUBF-UHFFFAOYSA-N	216.580	2.465	5	40	BEBB	
Nc1csc(-c2ccc([N+](=O)[O-])cc2)n1	67321237	ZQPLBENNWXXDOG-UHFFFAOYSA-N	221.241	2.301	5	40	BEBB	
Cc1ccc(Cn2c([N+](=O)[O-])cnc2C)cc1	83972	UGCFQZBYJXGSJH-UHFFFAOYSA-N	231.255	2.456	5	40	BEBB	
CC[N+](C)(CC)C[C@H](O)c1ccccc1	1699465	JPLALEPWKJEDQD-ZDUSSCGKSA-N	208.325	2.206	5	40	BEBB	
O=[N+]([O-])c1ccc(OC[C@H]2CCCO2)c(F)c1	67800532	OISHSMPORQLPPV-SECBINFHSA-N	241.218	2.292	5	40	BEBB	
O=Cc1ccc2c(F)ccc([N+](=O)[O-])c2n1	85399757	QNHRXZCBSWIIND-UHFFFAOYSA-N	220.159	2.095	5	40	BEBB	
Cc1nnc2c3[nH]c4ccccc4c3ncn12	5753144	MBBZHHXWJLGSLP-UHFFFAOYSA-N	223.239	2.067	5	40	BEBB	
CCCOc1ccc([N+](=O)[O-])cc1C=O	20156211	MTIKNNVQGXCTFL-UHFFFAOYSA-N	209.201	2.196	5	40	BEBB	
O=[N+]([O-])c1ccccc1NCC1CCNCC1	44509167	ITELMSSLVQKCSZ-UHFFFAOYSA-N	235.287	2.006	5	40	BEBB	
COc1cc([N+](=O)[O-])cc(C=O)c1OC(F)F	78406255	AOGVNADPYSOARR-UHFFFAOYSA-N	247.153	2.017	5	40	BEBB	
CC[N+](C)(CC)CCC[N+]12CCC(CC1)CC2	1561532	ZCNUVTDIWFQWAQ-UHFFFAOYSA-N	240.435	2.493	5	40	BEBB	
C[N+]1(C)CC2=Cc3ccccc3C[C@H]2C1	1322467	TVBLXJWXSYHCKO-AWEZNQCLSA-N	200.305	2.332	5	40	BEBB	
CNCc1cccn1-c1ccc([N+](=O)[O-])cc1	3310823	YPHMEEVPZAKAHK-UHFFFAOYSA-N	231.255	2.105	5	40	BEBB	
O=[N+]([O-])c1c(F)cccc1OCC(F)F	130621750	OLGBFVSCARYFCT-UHFFFAOYSA-N	221.134	2.378	5	40	BEBB	
Cc1c(C(=O)O)[nH]c2c([N+](=O)[O-])cccc12	790614	JMTOUTBAWYYGQY-UHFFFAOYSA-N	220.184	2.083	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)S(C)(=O)=O	97047743	VTCJFPLKWHPYMM-MRVPVSSYSA-N	243.284	2.009	5	40	BEBB	
O=c1ccc2ncc(O)c3c4ccccc4n1c23	14445172	LWYFITNQEPSUDK-UHFFFAOYSA-N	236.230	2.144	5	40	BEBB	biogenic
Cc1noc(CNc2cccc([N+](=O)[O-])c2C)n1	24661933	CODMEEHLAUGBET-UHFFFAOYSA-N	248.242	2.207	5	40	BEBB	
CCOC(=O)c1ccc2c([N+](=O)[O-])cccc2n1	256053862	TXYIWNHMDOGEOI-UHFFFAOYSA-N	246.222	2.320	5	40	BEBB	
Cc1cccc(Oc2ncnc(N)c2[N+](=O)[O-])c1	4059603	GGPMICYEIDJINC-UHFFFAOYSA-N	246.226	2.068	5	40	BEBB	
CC1=CC[C@H]2C[N+](C)(CC[N+](C)(C)C)C[C@@H]2C1	4759034	FCTKSLGQPJQCMH-GIIGEWEBSA-N	238.419	2.125	5	40	BEBB	
Cc1nc([N+](=O)[O-])cn1Cc1ccccc1	225647	WAFSMRYZKYAZJQ-UHFFFAOYSA-N	217.228	2.148	5	40	BEBB	
Cc1cnn(CCOc2ccc([N+](=O)[O-])cc2)c1	96007421	LGFLLZFIAZFUFU-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
O=C1c2cc([N+](=O)[O-])ccc2-c2cccnc21	549200	RLKCKKBMTLJCKX-UHFFFAOYSA-N	226.191	2.201	5	40	BEBB	
COc1ccc([N+](=O)[O-])cc1-c1ccnn1C	59725909	RISMSHXUBAAEHH-UHFFFAOYSA-N	233.227	2.004	5	40	BEBB	
CNc1cc(Cl)nc(Cl)c1[N+](=O)[O-]	91301652	SEBJQUQXJJUVSL-UHFFFAOYSA-N	222.031	2.338	5	40	BEBB	
COc1cc(C)c([N+](=O)[O-])c2c(=O)ccoc12	381745	JVGNJEKEHCFATF-UHFFFAOYSA-N	235.195	2.018	5	40	BEBB	
Cc1ccccc1NC(=O)n1cc([N+](=O)[O-])cn1	2744571	JLFVQSHUXDNBDA-UHFFFAOYSA-N	246.226	2.180	5	40	BEBB	
Cn1cccc1C(=O)c1cccc([N+](=O)[O-])c1	3167397	DNYFQKUVLWRPEU-UHFFFAOYSA-N	230.223	2.164	5	40	BEBB	
Cc1cc(=O)oc2c1ccc1occc(=O)c12	1611264	MKJREJOQWDFPLZ-UHFFFAOYSA-N	228.203	2.208	5	40	BEBB	
O=C(O)/C=C/c1c(Cl)cccc1[N+](=O)[O-]	44201205	MCOQIYNNEZXDHF-SNAWJCMRSA-N	227.603	2.346	5	40	BEBB	
Cc1cc(C(=O)O)c2cc([N+](=O)[O-])ccc2n1	22221397	WNJYUNHLOBYDLG-UHFFFAOYSA-N	232.195	2.150	5	40	BEBB	
COc1ccc(-c2[nH]ncc2C)cc1[N+](=O)[O-]	85395307	XYFYXCDBRPZLMK-UHFFFAOYSA-N	233.227	2.302	5	40	BEBB	
C[C@@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1	1751730	FIPKCEKPLFDUTJ-FBHKUJJOSA-N	233.223	2.314	5	40	BEBB	
C[N+]1([C@@H]2CC[C@H]3CC[C@@H]2C3=O)CCCCC1	490773	JDBUIALORGDZRH-FRRDWIJNSA-N	222.352	2.375	5	40	BEBB	
O=C(O)c1cccc(-c2cccc([N+](=O)[O-])c2)n1	35630156	RZDPUNHNZGWZNV-UHFFFAOYSA-N	244.206	2.355	5	40	BEBB	
Cc1cc(F)c([N+](=O)[O-])c2ccc(C=O)nc12	85399790	DNOFRCDYUNNSCY-UHFFFAOYSA-N	234.186	2.403	5	40	BEBB	
C[C@@H]1Cc2cc([N+](=O)[O-])ccc2N1C(=O)C1CC1	71799872	PDEJYRXQSOIYTM-MRVPVSSYSA-N	246.266	2.282	5	40	BEBB	
CCOC(=O)Cc1c[nH]c2ccc([N+](=O)[O-])cc12	1690754	UAWYJXDSPWGNLZ-UHFFFAOYSA-N	248.238	2.182	5	40	BEBB	
CC(C)(C)OCc1cc([N+](=O)[O-])ccc1N	50832261	PVAFAGSCABFHEN-UHFFFAOYSA-N	224.260	2.492	5	40	BEBB	
O=C1CCCC[C@H]1[C@H](O)c1cccc([N+](=O)[O-])c1	3017196	OFFGBOIAXPIJKZ-DGCLKSJQSA-N	249.266	2.388	5	40	BEBB	biogenic
CC(=O)OCC1(C[N+](C)(C)C)CCCCC1	5064910	WUMAYYLYKPXJRD-UHFFFAOYSA-N	228.356	2.206	5	40	BEBB	
Cc1cc2nc3ccccc3cc2c(=O)n1C	6666803	IHZTXJHTCLWCFV-UHFFFAOYSA-N	224.263	2.395	5	40	BEBB	
COc1c([N+](=O)[O-])ccc(C=O)c1OC(F)F	38342456	GNZLMFMAYDNZQS-UHFFFAOYSA-N	247.153	2.017	5	40	BEBB	in-vitro
CCOc1c(C(=O)O)cc(Cl)cc1[N+](=O)[O-]	57332056	LPJNLKIYEVRHCF-UHFFFAOYSA-N	245.618	2.345	5	40	BEBB	
Cc1ccc(Cn2nc([N+](=O)[O-])cc2C)cc1	20367434	UUTHNVKYNNJEHI-UHFFFAOYSA-N	231.255	2.456	5	40	BEBB	
O=[N+]([O-])c1cccc(CNCc2cccnc2)c1	57362378	IOVMMBGWSSDLPC-UHFFFAOYSA-N	243.266	2.280	5	40	BEBB	
Cc1cccc(Cn2cc(C)c([N+](=O)[O-])n2)c1	281250780	USLPGBNVZUXHBI-UHFFFAOYSA-N	231.255	2.456	5	40	BEBB	
O=C(O)c1c[nH]cc1-c1ccccc1[N+](=O)[O-]	37245318	ZONKYJWPYYDWNJ-UHFFFAOYSA-N	232.195	2.288	5	40	BEBB	in-vitro
C[C@]1(CNc2ccccc2[N+](=O)[O-])CCOC1	79089932	JBZHQUCYIXFDMA-GFCCVEGCSA-N	236.271	2.433	5	40	BEBB	
Cc1c(Cl)ccc([N+](=O)[O-])c1C(=O)O	82046710	FHWPBBMYWHFORO-UHFFFAOYSA-N	215.592	2.255	5	40	BEBB	
O=C(O)c1ccc(Cc2ccccc2[N+](=O)[O-])o1	85393588	SVORWOJIPGVDNQ-UHFFFAOYSA-N	247.206	2.477	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cnco1	224062133	YRAGPTCGCPDANE-UHFFFAOYSA-N	247.210	2.144	5	40	BEBB	
Cc1cc(C)n([C@@H](C[N+](=O)[O-])c2ccccc2)n1	4275509	YPOXKJXJKIWPRT-ZDUSSCGKSA-N	245.282	2.366	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1/C=C\C(=O)O	16955087	ZMPFRGSODBBQCJ-HYXAFXHYSA-N	207.185	2.001	5	40	BEBB	
O=[N+]([O-])c1ccn(Cc2ccccc2)c1	1705046	HZDRORMSKAGKHF-UHFFFAOYSA-N	202.213	2.445	5	40	BEBB	
CS[C@@]1(C)C(=O)Nc2cccc([N+](=O)[O-])c21	1869950	VIEILYWATRTRRA-SNVBAGLBSA-N	238.268	2.125	5	40	BEBB	
COC(=O)c1c([N+](=O)[O-])cccc1C(F)(F)F	47202456	SKCORQBYLFFEPF-UHFFFAOYSA-N	249.144	2.400	5	40	BEBB	
C[C@H](CO)CSc1ccccc1[N+](=O)[O-]	75148754	OATCAYJTTMZARO-MRVPVSSYSA-N	227.285	2.315	5	40	BEBB	
OC12CCC[N+]1(Cc1ccccc1)CCC2	1662187	IJITUHQNLCPQIP-UHFFFAOYSA-N	218.320	2.280	5	40	BEBB	
CN(C)[C@H]1C=CC[C@@H](c2ccccc2)[C@@H]1[N+](=O)[O-]	31669892	XEFALROTPLJINF-IHRRRGAJSA-N	246.310	2.306	5	40	BEBB	
CCN(CC)C(=O)c1ccc([N+](=O)[O-])c(F)c1	38526370	UDJSYCJLYSNACA-UHFFFAOYSA-N	240.234	2.216	5	40	BEBB	
O=C(O)c1cc([N+](=O)[O-])c2ccccc2c1	59638756	QSKMHFGBHYAKRU-UHFFFAOYSA-N	217.180	2.446	5	40	BEBB	
Cc1nc(NC(=O)C(C)(C)C)sc1[N+](=O)[O-]	5664630	BAASIVMRXMOBQA-UHFFFAOYSA-N	243.288	2.344	5	40	BEBB	
O=C(O)Cc1c([N+](=O)[O-])sc2ccccc12	1561922	LPGVIKVTBPUNRD-UHFFFAOYSA-N	237.236	2.437	5	40	BEBB	
COc1ccc2nc3ccccc3nc2c1N	3886442	NXMHFOGBPMFZHN-UHFFFAOYSA-N	225.251	2.374	5	40	BEBB	in-vitro
O=[N+]([O-])c1cccnc1N1CCc2cnccc21	72313957	QQWRDXXIJBKTJT-UHFFFAOYSA-N	242.238	2.079	5	40	BEBB	
Cc1c(NC(=O)c2cnco2)cccc1[N+](=O)[O-]	224062206	ZCGFRWPHDNBORO-UHFFFAOYSA-N	247.210	2.144	5	40	BEBB	
Cc1ccc(C(=O)NC(C)C)cc1[N+](=O)[O-]	5547406	BRPLPZDEIGVTSI-UHFFFAOYSA-N	222.244	2.041	5	40	BEBB	
Cc1c(CNC(=O)C(C)C)cccc1[N+](=O)[O-]	225577077	VHLDSIHMYSELOC-UHFFFAOYSA-N	236.271	2.175	5	40	BEBB	
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C	91356218	YFPUDXLNZBCCMI-PHIMTYICSA-N	249.314	2.124	5	40	BEBB	
O=[N+]([O-])c1ccc(O)cc1OC(F)(F)F	199787722	FHIQKXYVUPGRLL-UHFFFAOYSA-N	223.106	2.199	5	40	BEBB	
CC(=O)Nc1c(C)ccc(C)c1[N+](=O)[O-]	96316038	BGJRFFYDQCNGBQ-UHFFFAOYSA-N	208.217	2.170	5	40	BEBB	
COc1cc(OC)cc(-c2n[nH]cc2[N+](=O)[O-])c1	96527457	WTWAIBWVBGCHRQ-UHFFFAOYSA-N	249.226	2.002	5	40	BEBB	
O=[N+]([O-])c1cc(F)c(O)cc1Br	307496241	CMEWGHLHSZUCDK-UHFFFAOYSA-N	235.996	2.202	5	40	BEBB	
CC1=N[C@H]1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	1670054	PYJODOKGZLMNFM-SECBINFHSA-N	221.172	2.019	5	40	BEBB	
Cc1nccc(Br)c1[N+](=O)[O-]	89157628	HLWBVEFKUQEPPM-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
CC1(C)Sc2cc([N+](=O)[O-])ccc2NC1=O	95644356	JRZZDQYDACTKAV-UHFFFAOYSA-N	238.268	2.418	5	40	BEBB	
CCC[C@H](O)CNc1ccc([N+](=O)[O-])cc1	71900410	KFIYPGWKQXWIJA-NSHDSACASA-N	224.260	2.168	5	40	BEBB	
O=[N+]([O-])c1ccccc1N1CCSCC1	59391784	NEKPVRYSVKNVMG-UHFFFAOYSA-N	224.285	2.148	5	40	BEBB	
Cc1cccc(Cn2cc([N+](=O)[O-])nc2C)c1	338676	HJCXLMDLGHLYGF-UHFFFAOYSA-N	231.255	2.456	5	40	BEBB	
Cc1ccc(NC(=O)C(C)C)c([N+](=O)[O-])c1	4286111	PKWUHSWNWGSPPG-UHFFFAOYSA-N	222.244	2.498	5	40	BEBB	
Cn1nc2cc([N+](=O)[O-])ccc2c1Cl	95215838	JLBKYTLFCUGBLD-UHFFFAOYSA-N	211.608	2.135	5	40	BEBB	
C=CC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	4029045	RTARZTYRNVRFPP-IKCIUXDWSA-N	238.351	2.125	5	40	BEBB	
CC(C)(C)Oc1ccc(C(=O)O)cc1[N+](=O)[O-]	20509181	UYGZCYQLFODHHT-UHFFFAOYSA-N	239.227	2.470	5	40	BEBB	
Cc1ccc(NC(=O)c2ccc[nH]2)cc1[N+](=O)[O-]	32743654	XNKWROUVOMYWNS-UHFFFAOYSA-N	245.238	2.484	5	40	BEBB	
Cc1c(Br)ccc(N)c1[N+](=O)[O-]	82046712	BFFARMFHNYJRGS-UHFFFAOYSA-N	231.049	2.248	5	40	BEBB	
COC(=O)/C=C/c1ccc(C)c([N+](=O)[O-])c1	40544627	CHYUPTPUZSWQEC-AATRIKPKSA-N	221.212	2.089	5	40	BEBB	
CCCCCNc1ccnc(O)c1[N+](=O)[O-]	585141622	DNNQNLJVPPLNBP-UHFFFAOYSA-N	225.248	2.298	5	40	BEBB	
COC(=O)CCc1c[nH]c2cccc([N+](=O)[O-])c12	1857793159	WFUQIIWMPLQADR-UHFFFAOYSA-N	248.238	2.182	5	40	BEBB	
O=C1CC(=O)CC(c2cccc([N+](=O)[O-])c2)C1	40448142	PEJXMVITLPCURR-UHFFFAOYSA-N	233.223	2.001	5	40	BEBB	
c1ccc2c(c1)[nH]c1c2nc2ncccn21	5479001	NZCNBDIYEPILFR-UHFFFAOYSA-N	208.224	2.364	5	40	BEBB	
SC1=NN=C(c2ccncc2)[N+]12CCCCC2	13537050	MHWYCMBDUDEVRO-UHFFFAOYSA-O	247.347	2.043	5	40	BEBB	
C[N+](C)(C)CCC[N+]1(C)C[C@@H]2CCCC[C@H]2C1	1673489	XUSAJVVXBPFOBY-GJZGRUSLSA-N	240.435	2.349	5	40	BEBB	
COC[C@H](C)Nc1ccccc1[N+](=O)[O-]	21802805	GHXNCUSBUCBOBU-QMMMGPOBSA-N	210.233	2.042	5	40	BEBB	
O=[N+]([O-])c1c[nH]nc1-c1ccccc1F	42415192	LBCPKWOGQZNRET-UHFFFAOYSA-N	207.164	2.124	5	40	BEBB	
C[N+]12CCC(CC1)[C@H](OC(=O)c1ccccc1)C2	550692	SQTGAIQVSVIALX-CXOJTPOUSA-N	246.330	2.082	5	40	BEBB	
CCOc1ccc(-c2n[nH]cc2[N+](=O)[O-])cc1	96527459	SYUBWZTXJYODKX-UHFFFAOYSA-N	233.227	2.384	5	40	BEBB	
C[C@@H]1C[N+](C)(C)[C@H](C)C[C@@]1(O)c1ccccc1	4729908	RDGIXPIEDMFNBB-NFAWXSAZSA-N	234.363	2.379	5	40	BEBB	
O=[N+]([O-])c1cc[n+]([O-])cc1Oc1ccccc1	98175454	NVUHQWKIIRKNTH-UHFFFAOYSA-N	232.195	2.021	5	40	BEBB	
CCCn1c(CC)nc(Cl)c1[N+](=O)[O-]	547629	BFKIPNNXPHHSFE-UHFFFAOYSA-N	217.656	2.417	5	40	BEBB	
COc1cc2c(cc1[N+](=O)[O-])C(=O)CCC2	39386056	KTIKLRGFDKNYST-UHFFFAOYSA-N	221.212	2.122	5	40	BEBB	in-vitro
Cc1cnc(Sc2ncccn2)c([N+](=O)[O-])c1	13207916	JESGOMWGKCFCCO-UHFFFAOYSA-N	248.267	2.239	5	40	BEBB	
COc1cc(/C=C(\C)C[N+](=O)[O-])ccc1O	16968789	STRXOYBCJWWVDJ-VMPITWQZSA-N	223.228	2.081	5	40	BEBB	
O=C(OC(F)(F)F)c1ccc([N+](=O)[O-])cc1	2539977	ADEMVRQYCYFNLU-UHFFFAOYSA-N	235.117	2.271	5	40	BEBB	
CCCCNC(=O)Cc1ccccc1[N+](=O)[O-]	4724997	LHDBJPCFQYIRRV-UHFFFAOYSA-N	236.271	2.054	5	40	BEBB	
CCC[C@]1([N+]2(C)CCCC2)C[S@@](=O)[C@@H]1CC	5179348	GNAHNCGQQCEKIG-WWGRRREGSA-N	244.424	2.307	5	40	BEBB	
O=[N+]([O-])c1cc(-n2cccc2)cc([N+](=O)[O-])c1	12846497	NXFBNYABTSUFNB-UHFFFAOYSA-N	233.183	2.294	5	40	BEBB	
COCCCOc1ccc(C)c([N+](=O)[O-])c1	97114992	SDJIHNQKYQMNNJ-UHFFFAOYSA-N	225.244	2.319	5	40	BEBB	
COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)no1	2310386	ZUJHRMSXVHBDOK-UHFFFAOYSA-N	248.194	2.036	5	40	BEBB	
Cc1cc(Cl)c([N+](=O)[O-])c(=O)n1C(C)C	242463784	DLGRXCKKXSJJJG-UHFFFAOYSA-N	230.651	2.299	5	40	BEBB	
O=[N+]([O-])c1cccc(Oc2cnns2)c1	1388242	IYIOOFRJCNYUQM-UHFFFAOYSA-N	223.213	2.239	5	40	BEBB	
CC(C)CNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	5384283	NQWRZTMIRWZVPP-VOTSOKGWSA-N	248.282	2.380	5	40	BEBB	
O=C(O)C1(c2ccccc2[N+](=O)[O-])CCCC1	20154425	CFFCJBIXTABNRS-UHFFFAOYSA-N	235.239	2.491	5	40	BEBB	
Cc1ccc2c(C(=O)O)ccnc2c1[N+](=O)[O-]	26475293	VEXOSPIBZSGSSI-UHFFFAOYSA-N	232.195	2.150	5	40	BEBB	
CCC[C@@H](O)CNc1ccc([N+](=O)[O-])cc1	71900411	KFIYPGWKQXWIJA-LLVKDONJSA-N	224.260	2.168	5	40	BEBB	
CCCn1cc(Nc2ccncc2[N+](=O)[O-])cn1	96429794	JNTZUAARFMTUPQ-UHFFFAOYSA-N	247.258	2.340	5	40	BEBB	
CCCCOc1ccc([N+](=O)[O-])cc1N	26840469	ZQTPOMUMEJTURV-UHFFFAOYSA-N	210.233	2.356	5	40	BEBB	
O=[N+]([O-])c1cnn(Cc2cc(F)cc(F)c2)c1	67800403	ZLUWTQNCULZBDM-UHFFFAOYSA-N	239.181	2.118	5	40	BEBB	
O=[N+]([O-])c1ccc(N[C@H]2CCCSC2)cn1	89794282	BNJRCYQCYRXUHB-VIFPVBQESA-N	239.300	2.297	5	40	BEBB	
CNC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1	12567332	IDQSWLHFFCFTRA-UHFFFAOYSA-N	246.222	2.214	5	40	BEBB	
O=[N+]([O-])c1cccc2c(CO)cccc12	26898948	LBTIMHFYCAGAIU-UHFFFAOYSA-N	203.197	2.240	5	40	BEBB	
CC(=O)Nc1ccc(OC(F)F)cc1[N+](=O)[O-]	34762683	QEQJDPGRNSQLFI-UHFFFAOYSA-N	246.169	2.155	5	40	BEBB	
O=[N+]([O-])c1cn[nH]c1NCc1ccccc1F	6829312	WVPJUXJGOWJIRI-UHFFFAOYSA-N	236.206	2.069	5	40	BEBB	
O=[N+]([O-])c1cc(OCC(F)(F)F)ccc1O	169800297	RRAPGVOELKFLIK-UHFFFAOYSA-N	237.133	2.242	5	40	BEBB	
CNC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	3369399	LVKHBTRMQSSKEP-UHFFFAOYSA-N	245.691	2.164	5	40	BEBB	
COC(=O)/C=C(\C)Nc1ccc([N+](=O)[O-])cc1	17423541	LXDHGUMALVAHEM-BQYQJAHWSA-N	236.227	2.084	5	40	BEBB	
Cc1cc([N+](=O)[O-])cnc1N1CC[C@@H](C)C1	78714171	KPASYOJINIGUKQ-MRVPVSSYSA-N	221.260	2.144	5	40	BEBB	
O=[N+]([O-])[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1ccco1	104282229	GJUPVGNLPWPQKP-UUTMEEIUSA-N	205.213	2.214	5	40	BEBB	
O=C(Cc1ccc([N+](=O)[O-])cc1)NC1CCCC1	2737069	MOUQAGCNTIGQFB-UHFFFAOYSA-N	248.282	2.196	5	40	BEBB	
O=C(Nc1ccccc1[N+](=O)[O-])C(F)(F)F	5514958	RDHSJZAEIBUROF-UHFFFAOYSA-N	234.133	2.096	5	40	BEBB	biogenic
CCN(CC)c1ccc([N+](=O)[O-])cc1N	53278358	UEPQRACIIYQDMH-UHFFFAOYSA-N	209.249	2.023	5	40	BEBB	
Nc1cccnc1Sc1ccc([N+](=O)[O-])cn1	481341	JVOKFXMOTGUTFQ-UHFFFAOYSA-N	248.267	2.118	5	40	BEBB	
O=C(COc1ccccc1[N+](=O)[O-])c1ccc[nH]1	5109227	UGJXLJBYDZCTCO-UHFFFAOYSA-N	246.222	2.185	5	40	BEBB	
CNc1c([N+](=O)[O-])c(C)nn1-c1ccccc1	4301182	ADKZUDDOUCTQDY-UHFFFAOYSA-N	232.243	2.131	5	40	BEBB	
CN(C)c1ncc(C(F)(F)F)cc1[N+](=O)[O-]	91695398	APCJOHPBHMWDDU-UHFFFAOYSA-N	235.165	2.075	5	40	BEBB	
O=[N+]([O-])c1ccc(/C=C/c2csnn2)nc1	95964517	UVMPWYZSUWOQDV-OWOJBTEDSA-N	234.240	2.012	5	40	BEBB	
CCOC(=N)c1ccc([N+](=O)[O-])c(C)c1	228955395	FXPOKCKVECZABU-UHFFFAOYSA-N	208.217	2.265	5	40	BEBB	
CCCCNCc1ccc([N+](=O)[O-])cc1	1577514	JDTNKBOSGXXCOP-UHFFFAOYSA-N	208.261	2.485	5	40	BEBB	
O=C(O)/C=C/c1ccc(Cl)cc1[N+](=O)[O-]	2504986	UFPCDBZSIBYWIW-DUXPYHPUSA-N	227.603	2.346	5	40	BEBB	
C[N+]1([C@H]2CC[C@H]3CC[C@@H]2C3=O)CCCCC1	4063593	JDBUIALORGDZRH-AGIUHOORSA-N	222.352	2.375	5	40	BEBB	
Cc1cc([N+](=O)[O-])c(N)cc1N1CCCC1	216863751	DWEFBSXRMAOPAL-UHFFFAOYSA-N	221.260	2.086	5	40	BEBB	
CCC[C@@H](C)C(=O)Nc1ncc([N+](=O)[O-])s1	4704362	PUUALUYQFODUBU-ZCFIWIBFSA-N	243.288	2.426	5	40	BEBB	
Nc1ccc2c(c1)C(=O)c1cc([N+](=O)[O-])ccc1-2	1580943	URAFCARZCGLOIL-UHFFFAOYSA-N	240.218	2.388	5	40	BEBB	
O=C1CCCC[C@H]1[C@H](C[N+](=O)[O-])C(F)(F)F	43464397	OIKQDKNGGZIECX-BQBZGAKWSA-N	239.193	2.201	5	40	BEBB	
O=[N+]([O-])c1ccc(CCn2cccn2)cc1	95116254	ORJXJCYKNWCFOH-UHFFFAOYSA-N	217.228	2.034	5	40	BEBB	
CCOc1ccc(/C=C\[N+](=O)[O-])cc1[N+](=O)[O-]	17315297	SVHACGISGKTTRQ-WAYWQWQTSA-N	238.199	2.241	5	40	BEBB	
Cc1nc2ccc([N+](=O)[O-])cc2c(O)c1C	309341012	XATSKZJSYGPCDX-UHFFFAOYSA-N	218.212	2.465	5	40	BEBB	
CC[C@H](C)NCc1cccc([N+](=O)[O-])c1	8326771	FIPOFFDFDJIKRV-VIFPVBQESA-N	208.261	2.483	5	40	BEBB	
O=[N+]([O-])c1cccc(O)c1-n1cccc1	95919690	YNONTWRGAREEJY-UHFFFAOYSA-N	204.185	2.091	5	40	BEBB	
C[C@@H](C1CC1)N(C)c1ccc([N+](=O)[O-])cn1	32906788	DUAINLLWZHJWAT-QMMMGPOBSA-N	221.260	2.225	5	40	BEBB	
O=[N+]([O-])/C=C/c1ccc(Cl)cc1[N+](=O)[O-]	1712625	ATWYJPVTSBKBHB-ONEGZZNKSA-N	228.591	2.496	5	40	BEBB	
Cc1ccc(NC(=O)OCCF)c([N+](=O)[O-])c1	6646003	ZGAGYDONECGUJE-UHFFFAOYSA-N	242.206	2.421	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2n[nH]c(Cl)n2)c1	64875223	AFMRRRJQANGAQH-UHFFFAOYSA-N	224.607	2.033	5	40	BEBB	
Cc1cc(CCC(=O)O)cc(C)c1[N+](=O)[O-]	68675221	PLTXHVQRCIWIBG-UHFFFAOYSA-N	223.228	2.229	5	40	BEBB	
Sc1nnc2c(ccc3ccccc32)n1	5731737	NUJYNMBONSUPCV-UHFFFAOYSA-N	213.265	2.467	5	40	BEBB	
O=C(O)CCCCc1ccc([N+](=O)[O-])cc1	1702346	ICWKCTNMYJHGIU-UHFFFAOYSA-N	223.228	2.392	5	40	BEBB	
CC1(C)CC(=O)Nc2ccc([N+](=O)[O-])cc21	34248723	OAITXUBYFORSJO-UHFFFAOYSA-N	220.228	2.215	5	40	BEBB	
Cc1cc([N+](=O)[O-])cnc1N1CC[C@H](C)C1	78714167	KPASYOJINIGUKQ-QMMMGPOBSA-N	221.260	2.144	5	40	BEBB	
Cc1cc(Cl)c([N+](=O)[O-])c(=O)n1C1CC1	242687883	UZEMFPYMOQQGDJ-UHFFFAOYSA-N	228.635	2.053	5	40	BEBB	
CCCNC(=O)Nc1cc([N+](=O)[O-])ccc1C	43466891	FIYGMDHHYVQSBA-UHFFFAOYSA-N	237.259	2.435	5	40	BEBB	
O=[N+]([O-])c1cc(F)ccc1OC(F)F	47203260	DTAHCVYYHHVFEU-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	
C1CC[N+]2(CC1)CC[N+]1(CCCCC1)CC2	1646392	GZWHJRLXCYTUHP-UHFFFAOYSA-N	224.392	2.001	5	40	BEBB	
COc1ccc2[nH]cc(/C=C\[N+](=O)[O-])c2c1	4901394	NAIAZIKEFZGLDL-PLNGDYQASA-N	218.212	2.424	5	40	BEBB	
O=C(Nc1ccccc1[N+](=O)[O-])C1CCC1	4905053	NIQLRDAKPBZKGC-UHFFFAOYSA-N	220.228	2.333	5	40	BEBB	
CCCOc1c(C)cc([N+](=O)[O-])cc1N	96316059	NEFJSSKQXYLURE-UHFFFAOYSA-N	210.233	2.274	5	40	BEBB	
Cc1cc([N+](=O)[O-])cc2sc(N)nc12	341550	AHSSHSODSGGVBG-UHFFFAOYSA-N	209.230	2.095	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(C=C2C=c3ccccc3=C2)cc1	1745161	BURPXQRBUZGTFN-UHFFFAOYSA-N	249.269	2.253	5	40	BEBB	
COc1ncnc(Nc2ccccc2)c1[N+](=O)[O-]	4826135	NXICVIHOQPHQFD-UHFFFAOYSA-N	246.226	2.137	5	40	BEBB	
O=[N+]([O-])c1ccc(OC[C@H]2CO2)c(Cl)c1	22222055	QVEGEDSWHHPLLK-SSDOTTSWSA-N	229.619	2.026	5	40	BEBB	
Cc1cc(COc2cccc([N+](=O)[O-])c2)no1	58077537	JEOOBNITTCAGLM-UHFFFAOYSA-N	234.211	2.470	5	40	BEBB	
CC(C)(O)CNc1ccc([N+](=O)[O-])cc1Cl	65534554	NGZXIFBARQVVOM-UHFFFAOYSA-N	244.678	2.431	5	40	BEBB	
C/N=c1/scc(-c2cccc([N+](=O)[O-])c2)n1C	105777416	UFIRYWAKRFHPGA-VAWYXSNFSA-N	249.295	2.192	5	40	BEBB	
COC(=O)c1ccc(SC)cc1[N+](=O)[O-]	34202986	XHPMTRIZNFHESE-UHFFFAOYSA-N	227.241	2.103	5	40	BEBB	in-vitro
O=[N+]([O-])[C@H]1CC=CC[C@H]1c1ccc2c(c1)OCO2	1599796	WFPHZRSWFPQSHM-QWRGUYRKSA-N	247.250	2.494	5	40	BEBB	
CC(C)(c1ccc([N+](=O)[O-])cc1)[N+](=O)[O-]	1715185	TVMFOXFWIMATIK-UHFFFAOYSA-N	210.189	2.107	5	40	BEBB	
CCOC(=O)c1[nH]c(C)c(/C=C/[N+](=O)[O-])c1C	2155784	XVKDRZOFGOTWJP-AATRIKPKSA-N	238.243	2.056	5	40	BEBB	
COc1ccc2cc([N+](=O)[O-])ccc2c1C(=O)O	3844677	ZSCCLARMONFQNY-UHFFFAOYSA-N	247.206	2.455	5	40	BEBB	biogenic
O=[N+]([O-])c1cc(F)cc(OCC(F)F)c1	123409547	CHEDAZJVCOQYHR-UHFFFAOYSA-N	221.134	2.378	5	40	BEBB	
O=[N+]([O-])c1c(O)cc(O)c2ccccc12	1703961	RCIIGVXRDWAHAQ-UHFFFAOYSA-N	205.169	2.159	5	40	BEBB	
Cc1cc([N+](=O)[O-])c(Br)cn1	72188035	MPZBNXOIDZWMKL-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
CCCOc1ccc(NC(C)=O)c([N+](=O)[O-])c1	5469267	SCCDPJHRMIEZGA-UHFFFAOYSA-N	238.243	2.342	5	40	BEBB	
Oc1cccc2nc3c(O)cccc3nc12	14651200	JOXNFMAXWAPITK-UHFFFAOYSA-N	212.208	2.194	5	40	BEBB	
Nc1cccc2c1[nH]c(=O)c1ccccc12	17020551	SWPBPTPKUYDBKQ-UHFFFAOYSA-N	210.236	2.264	5	40	BEBB	
O=[N+]([O-])c1cccc([S@@](=O)C(F)(F)F)c1	5428870	KKPDXRFCVNYZMS-HNNXBMFYSA-N	239.174	2.222	5	40	BEBB	
COc1ccc(CCn2cnc([N+](=O)[O-])c2)cc1	58158921	NSSKKEPTYYCNCQ-UHFFFAOYSA-N	247.254	2.043	5	40	BEBB	
Cc1cc(OCc2ccnn2C)ccc1[N+](=O)[O-]	95452321	AWFQATURLDHESM-UHFFFAOYSA-N	247.254	2.216	5	40	BEBB	
O=Nc1ccc(-[n+]2ccccc2)c([N+](=O)[O-])c1	5049091	AZGMLEYREKGVOY-UHFFFAOYSA-N	230.203	2.269	5	40	BEBB	
COc1c([N+](=O)[O-])cc(C=O)c(Cl)c1OC	38213084	PKUPDUIRTWLSQH-UHFFFAOYSA-N	245.618	2.078	5	40	BEBB	
CN(C)c1ccc([N+](=O)[O-])c2cnccc12	12558500	NLNZMACXCHOKIW-UHFFFAOYSA-N	217.228	2.209	5	40	BEBB	
Cc1c(Cl)c(C)c([N+](=O)[O-])c(O)c1C(=O)O	216778293	QNJFSTJXSWCHBJ-UHFFFAOYSA-N	245.618	2.269	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)nc1n2CCSC1	2358352	LVAWIRNGBXGGLK-UHFFFAOYSA-N	235.268	2.191	5	40	BEBB	
COCCCOc1cccc(F)c1[N+](=O)[O-]	54269003	OSOHSHFZMKVFJH-UHFFFAOYSA-N	229.207	2.149	5	40	BEBB	
CCN(CC)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1	5452768	NCRORLLVRPGZOZ-JXMROGBWSA-N	248.282	2.476	5	40	BEBB	
CCOC(=N)c1ccc(C)c([N+](=O)[O-])c1	145361214	HUNSWEFZDFJUIC-UHFFFAOYSA-N	208.217	2.265	5	40	BEBB	
COc1cc([N+](=O)[O-])c2ncsc2c1	367531	YHRYBRPGZGGMNR-UHFFFAOYSA-N	210.214	2.213	5	40	BEBB	
O=C(Cc1ccccc1[N+](=O)[O-])N1CCCCC1	5945939	KRHPZWFVWXIWEU-UHFFFAOYSA-N	248.282	2.150	5	40	BEBB	
Cc1c(F)c(F)c([N+](=O)[O-])c(C(=O)O)c1F	2540017	LXDITRBZRZATMT-UHFFFAOYSA-N	235.117	2.019	5	40	BEBB	in-vitro
Cc1cccc(C(=O)NCC2CC2)c1[N+](=O)[O-]	12737142	ZHBPDZSWALDFCU-UHFFFAOYSA-N	234.255	2.043	5	40	BEBB	
Cc1ccc(Cn2cc(C)c([N+](=O)[O-])n2)cc1	281262865	VNHJCCRLDBNRGB-UHFFFAOYSA-N	231.255	2.456	5	40	BEBB	
Cc1ncn(-c2c(Cl)cccc2[N+](=O)[O-])n1	2362803668	VNZLJZWTLHXNOH-UHFFFAOYSA-N	238.634	2.137	5	40	BEBB	
C[N+](C)(C)Cc1ccccc1C[N+](C)(C)C	1555460	IPKUBENXWFRUBN-UHFFFAOYSA-N	222.376	2.099	5	40	BEBB	
COC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	4156389	VGDOILYESSXJLN-UHFFFAOYSA-N	230.607	2.427	5	40	BEBB	
O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccccn1	19161061	VGNWOZHANVNVGF-UHFFFAOYSA-N	243.222	2.242	5	40	BEBB	
Cc1nc(C)c([N+](=O)[O-])c(Cl)c1[N+](=O)[O-]	71257010	LNJBJZWAVKSMCJ-UHFFFAOYSA-N	231.595	2.168	5	40	BEBB	
O=[N+]([O-])c1ccc2nc3ccccc3n2c1	347941	AQWHWIZVJXSSQM-UHFFFAOYSA-N	213.196	2.396	5	40	BEBB	
C/C(=C/C(=O)O)c1ccc([N+](=O)[O-])cc1	1749265	APEDXSVBRQSCED-SREVYHEPSA-N	207.185	2.083	5	40	BEBB	in-vitro
Oc1ccc(O)c2nc3ccccc3nc12	5664806	VAASABGZPGHBSZ-UHFFFAOYSA-N	212.208	2.194	5	40	BEBB	
O=CNc1c([N+](=O)[O-])cc2c3c(cccc13)CC2	5698991	SSBFIXRYTJPDGQ-UHFFFAOYSA-N	242.234	2.415	5	40	BEBB	
O=[N+]([O-])c1ccc(OCCCCCO)cc1	19075550	WKNCVISUSMZQLF-UHFFFAOYSA-N	225.244	2.136	5	40	BEBB	
CCCCNc1nn(CC)cc1[N+](=O)[O-]	95098507	NFFIGOMNHHJSCG-UHFFFAOYSA-N	212.253	2.023	5	40	BEBB	
O=[N+]([O-])CC(O)(c1ccccc1)c1ccccc1	500663	VFWPBQCWPLTKBX-UHFFFAOYSA-N	243.262	2.199	5	40	BEBB	
CC[N+](C)(CC)CC[N+]1(C)CCCCCC1	1646433	FPXSHYMGRVUPFX-UHFFFAOYSA-N	228.424	2.493	5	40	BEBB	
Cc1ccnn1-c1ccc([N+](=O)[O-])cc1	48218346	BKPVGIAXVCFLSN-UHFFFAOYSA-N	203.201	2.089	5	40	BEBB	
C[N+]1(C)CCC[C@@H](C[N+]2(C)CCCCCC2)C1	526051549	FCUBVWWNZUMCPI-OAHLLOKOSA-N	240.435	2.493	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2ccc(S)nn2)c1	41631077	ORIBLMLTYCKGLC-UHFFFAOYSA-N	233.252	2.341	5	40	BEBB	
O=C(O)/C=C/C=C/c1ccccc1[N+](=O)[O-]	1736968	IJXZQTLMGOOIAI-JHMJBTLWSA-N	219.196	2.249	5	40	BEBB	
CCCNC(=O)c1ccc([N+](=O)[O-])c(C)c1	2081062	VYPTYDHSTXQSOK-UHFFFAOYSA-N	222.244	2.043	5	40	BEBB	
O=C1CCCCc2scc([N+](=O)[O-])c2N1	5510856	ZVMCOQGWRBYQPI-UHFFFAOYSA-N	226.257	2.321	5	40	BEBB	
Cn1cnc([N+](=O)[O-])c1NC1CCCCCC1	6653473	JWYUYVBTZNFCEI-UHFFFAOYSA-N	238.291	2.463	5	40	BEBB	
Nc1cc(OC(F)(F)F)c(F)cc1[N+](=O)[O-]	98210994	ADZJQFLCJQHJEU-UHFFFAOYSA-N	240.112	2.215	5	40	BEBB	
O=[N+]([O-])c1ccc([S@](=O)C(F)(F)F)cc1	4387791	FEEZTKJJCSPLDF-OAHLLOKOSA-N	239.174	2.222	5	40	BEBB	
O=C(Nc1cc([N+](=O)[O-])ccc1O)c1ccoc1	89531478	GQFTWIOIDCRDAX-UHFFFAOYSA-N	248.194	2.146	5	40	BEBB	
Cc1ccc(C)n1Nc1ccc([N+](=O)[O-])cn1	20131511	RGEIIZWYZVGDHU-UHFFFAOYSA-N	232.243	2.283	5	40	BEBB	
Cc1cc([N+](=O)[O-])cc(C(=O)O)c1OC(C)C	225279481	JKMDOPMTPSIHHA-UHFFFAOYSA-N	239.227	2.389	5	40	BEBB	
C[C@H]1C[C@](O)(c2ccccc2)[C@H](C)C[N+]1(C)C	4729907	RDGIXPIEDMFNBB-VNHYZAJKSA-N	234.363	2.379	5	40	BEBB	
Nc1ccc2nc3ccc(O)cc3nc2c1	5421053	HXMGWECMEAEGBY-UHFFFAOYSA-N	211.224	2.071	5	40	BEBB	
Nc1nc2cc([N+](=O)[O-])c(Cl)cc2s1	20154420	RODATZYFYYDDNG-UHFFFAOYSA-N	229.648	2.440	5	40	BEBB	
O=[N+]([O-])c1cc(Cl)nc(Br)c1	83428679	SQUAJEKEHSHSSA-UHFFFAOYSA-N	237.440	2.406	5	40	BEBB	
CCC(=O)Oc1cc([N+](=O)[O-])c(F)cc1F	12336322	QUJZSZNNEUTLIE-UHFFFAOYSA-N	231.154	2.188	5	40	BEBB	
Cc1ccc(-c2ccc(C(N)=O)o2)c([N+](=O)[O-])c1	20136253	ZRGMUKXSWXEXHJ-UHFFFAOYSA-N	246.222	2.262	5	40	BEBB	
O=[N+]([O-])c1ccc(Br)c(F)c1O	238721450	WNWQZCLESUPFKN-UHFFFAOYSA-N	235.996	2.202	5	40	BEBB	
CCN(CC)c1ccc([N+](=O)[O-])cc1C=O	26514857	AOWLCPNJQDTHNN-UHFFFAOYSA-N	222.244	2.254	5	40	BEBB	
CC(=O)CSc1ccccc1[N+](=O)[O-]	340728	AGNNBHMFRWKZDG-UHFFFAOYSA-N	211.242	2.276	5	40	BEBB	
Cc1cc([N+](=O)[O-])cc(Br)c1O	60237549	AJMYXGRHDGEXOJ-UHFFFAOYSA-N	232.033	2.371	5	40	BEBB	
COCCSCc1ccc([N+](=O)[O-])cc1	78555696	RTNIRTAPYZATJF-UHFFFAOYSA-N	227.285	2.474	5	40	BEBB	
C[N+]1(C[C@H]2COC3(CCCCC3)O2)CCCC1	202475	JSKKYIIBEYAWBH-ZDUSSCGKSA-N	240.367	2.303	5	40	BEBB	
Cc1nc(N)sc1-c1ccc([N+](=O)[O-])o1	238925	RLSOYDNFLPSUCN-UHFFFAOYSA-N	225.229	2.202	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1/C=C/C(=O)O	1726445	ZMPFRGSODBBQCJ-HWKANZROSA-N	207.185	2.001	5	40	BEBB	
CC(C)COc1ccc(C=O)cc1[N+](=O)[O-]	20302567	DQEAMVPZFBKDBM-UHFFFAOYSA-N	223.228	2.442	5	40	BEBB	
O=C(O)C[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1	57534362	NHZKBFOIJRABMU-QMMMGPOBSA-N	243.646	2.175	5	40	BEBB	
O=[N+]([O-])c1cnn(CC2CCCCC2)c1	67800397	KTGCWCQBNZWEJT-UHFFFAOYSA-N	209.249	2.372	5	40	BEBB	
O=[N+]([O-])c1cccc(C(F)(F)F)c1CO	91252361	WTPSRYDIWDEXAQ-UHFFFAOYSA-N	221.134	2.106	5	40	BEBB	
NCCc1nc(-c2ccc([N+](=O)[O-])cc2)cs1	3708175	UXAMPJMRGARBKW-UHFFFAOYSA-N	249.295	2.220	5	40	BEBB	
CC[C@@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	5467716	KFLPZOGYWUJFMQ-SECBINFHSA-N	236.271	2.432	5	40	BEBB	
C[C@@H]1OC(c2cccc([N+](=O)[O-])c2)O[C@@H]1C	17311361	SJZKKJDKHOYPBP-OQJHAAMPSA-N	223.228	2.417	5	40	BEBB	
C[C@H](/C=C/c1ccc2c(c1)OCO2)[N+](=O)[O-]	1752883	CLPNZMJFDBSNRO-UFUPEUMYSA-N	221.212	2.094	5	40	BEBB	
CSCC(=O)Nc1c(C)cccc1[N+](=O)[O-]	47895678	ZWAGBIAAYDQTCC-UHFFFAOYSA-N	240.284	2.205	5	40	BEBB	
Cn1nc(C(F)(F)F)c([N+](=O)[O-])c1Cl	85018530	QXHBVZNPVARJAE-UHFFFAOYSA-N	229.545	2.001	5	40	BEBB	
CCOC(=O)Nc1cc([N+](=O)[O-])ccc1F	3851244	OJNUOJUPICJHIV-UHFFFAOYSA-N	228.179	2.302	5	40	BEBB	biogenic
Cc1ccn(CCOc2ccc([N+](=O)[O-])cc2)n1	72209613	SUTMITQIBFMDDE-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
O=C(O)c1cccc2cccc([N+](=O)[O-])c12	1600280	USMKVLABRYGBJX-UHFFFAOYSA-N	217.180	2.446	5	40	BEBB	in-vitro
CC(=O)c1ccc(C(C)=O)c([N+](=O)[O-])c1	3844852	KJUSPYIACRWQDP-UHFFFAOYSA-N	207.185	2.000	5	40	BEBB	biogenic
Cc1ccc([N+](=O)[O-])c(C)c1OCC(C)(C)O	95974915	SEBTYRRSPNTTTR-UHFFFAOYSA-N	239.271	2.361	5	40	BEBB	
CC(C)n1cc([N+](=O)[O-])c(Br)n1	200590100	ZJGIGXSCPAFDNS-UHFFFAOYSA-N	234.053	2.135	5	40	BEBB	
CC[n+]1c(C)sc2cc([N+](=O)[O-])ccc21	369941	SEAUVNCROKFVSE-UHFFFAOYSA-N	223.277	2.425	5	40	BEBB	
Cc1nc([N+](=O)[O-])c(N2CCCCCC2)n1C	58413231	ZELQGLGEBPSAOF-UHFFFAOYSA-N	238.291	2.017	5	40	BEBB	
COc1ccc2c(C)c([N+](=O)[O-])cnc2c1	256051969	LHZBECFCIWJARO-UHFFFAOYSA-N	218.212	2.460	5	40	BEBB	
CCCNCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	2565869	OASDJEWRVUUCPB-UHFFFAOYSA-N	239.231	2.003	5	40	BEBB	
C=CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]	5638949	ROLMGFUTGZGYHB-UHFFFAOYSA-N	226.619	2.373	5	40	BEBB	
C[C@]1(O)CCCN(c2sccc2[N+](=O)[O-])C1	95986700	QWEXDIKGLLCXAL-JTQLQIEISA-N	242.300	2.008	5	40	BEBB	
Cc1nc(CO)c(-c2ccc([N+](=O)[O-])cc2)o1	60961	IHQWIMUZZRPLTH-UHFFFAOYSA-N	234.211	2.051	5	40	BEBB	
O=[N+]([O-])c1ccccc1[C@H](O)c1cccnc1	90225686	ILBZRJIMVDYIQQ-GFCCVEGCSA-N	230.223	2.072	5	40	BEBB	in-vitro
O=Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1	71618741	ONBLATNTJYSAQO-UHFFFAOYSA-N	218.168	2.062	5	40	BEBB	
O=[N+]([O-])c1ccccc1OCC1CCOCC1	69778697	PDJZJMXACIZAAY-UHFFFAOYSA-N	237.255	2.400	5	40	BEBB	
O=c1[nH]c(-c2cccc([N+](=O)[O-])c2)cs1	34669830	OXCPEFDPGKSSFV-UHFFFAOYSA-N	222.225	2.012	5	40	BEBB	
CC1(C)CC(=O)c2ccc([N+](=O)[O-])cc2O1	199742751	WRZOIGKYNVMAGL-UHFFFAOYSA-N	221.212	2.339	5	40	BEBB	
Cc1cc2nc(N)sc2cc1[N+](=O)[O-]	911955	FLAOAQNZIYKJTF-UHFFFAOYSA-N	209.230	2.095	5	40	BEBB	
Cc1c(C(=O)NC(C)C)cccc1[N+](=O)[O-]	5537046	ISXVHRFZCBIHER-UHFFFAOYSA-N	222.244	2.041	5	40	BEBB	
C[C@@H](CO)Sc1ccccc1[N+](=O)[O-]	76065129	FEAASECKMRGLMU-ZETCQYMHSA-N	213.258	2.068	5	40	BEBB	
O=C1c2c(cc3c(c2[N+](=O)[O-])CCC3)C[C@H]1F	2049305478	YFQDXHODXTURHY-SECBINFHSA-N	235.214	2.160	5	40	BEBB	
C[N+](C)(C)CCCCCCC[N+](C)(C)C	1730254	FSXAETDSARHBGO-UHFFFAOYSA-N	216.413	2.349	5	40	BEBB	in-vitro
CN(c1ccc([N+](=O)[O-])cn1)C1CCCC1	13014485	ZZWBHRIFMLTVQQ-UHFFFAOYSA-N	221.260	2.369	5	40	BEBB	
Cc1cc(F)c2nc(C=O)ccc2c1[N+](=O)[O-]	85399802	NFAUXGMNFLRPIO-UHFFFAOYSA-N	234.186	2.403	5	40	BEBB	
O=[N+]([O-])c1cc(OC(F)F)ccc1F	47203271	JVKBWBGHIFTQBQ-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(-c2nc(C3CC3)n[nH]2)cc1	54363734	WKTOJWZUAZLSKS-UHFFFAOYSA-N	230.227	2.257	5	40	BEBB	
Cc1cc(COc2cccc([N+](=O)[O-])c2N)on1	69900661	QROOTFVECBCTCN-UHFFFAOYSA-N	249.226	2.052	5	40	BEBB	
Cc1cn(-c2ccc(F)cc2[N+](=O)[O-])cn1	685936622	LKQQPZQBJHHSCS-UHFFFAOYSA-N	221.191	2.228	5	40	BEBB	
O=[N+]([O-])c1cnn(CCCc2ccccc2)c1	67799944	ZXLHOOXPUUZYSI-UHFFFAOYSA-N	231.255	2.424	5	40	BEBB	
CCN1CC[N+](C)(CC)Cc2ccccc21	1566291	VDJORYMTZYKGRO-UHFFFAOYSA-N	219.352	2.493	5	40	BEBB	
CCC(=O)Oc1ccccc1/C=C/[N+](=O)[O-]	144943075	UJABHRWISVHJNU-BQYQJAHWSA-N	221.212	2.249	5	40	BEBB	
C[N+]1(Cc2ccccc2)[C@@H]2CC[C@@H]1CC(O)C2	100799311	BSGSJFKWCAYJRL-WXLSXGNJSA-N	232.347	2.319	5	40	BEBB	
COc1cc([N+](=O)[O-])c(Cl)cc1NC(C)=O	4277069	KQGNEXQCCNUZMT-UHFFFAOYSA-N	244.634	2.215	5	40	BEBB	
Nc1nc2c(Cl)cc([N+](=O)[O-])cc2s1	3676502	YNDYEBICGKGSLP-UHFFFAOYSA-N	229.648	2.440	5	40	BEBB	
CCOc1ccc2[nH]c3ncccc3c(=O)c2c1	6901757	MHRGJENFUVUTMN-UHFFFAOYSA-N	240.262	2.475	5	40	BEBB	
COc1ccc([N+](=O)[O-])c(Br)c1O	91297339	BAADLJBNKVHGKS-UHFFFAOYSA-N	248.032	2.072	5	40	BEBB	
CCC1([N+](=O)[O-])COC([C@@H]2CC=CCC2)OC1	4721920	GMZNSRWQVCUVEM-VOMCLLRMSA-N	241.287	2.141	5	40	BEBB	
CC[C@H](C)NC(=O)c1csc([N+](=O)[O-])c1	42565052	KSGPMLUMMLXSOF-LURJTMIESA-N	228.273	2.185	5	40	BEBB	
Cc1ccc(-n2cnc([N+](=O)[O-])c2)cc1	34406676	OZPWAWAPPOIVHQ-UHFFFAOYSA-N	203.201	2.089	5	40	BEBB	
Cc1nn(C)c(N2CCCCCC2)c1[N+](=O)[O-]	47330948	PKWCUSFJDWTXRZ-UHFFFAOYSA-N	238.291	2.017	5	40	BEBB	
C[C@H](CO)SCc1ccccc1[N+](=O)[O-]	96430353	MGASFQSPROSTNK-MRVPVSSYSA-N	227.285	2.209	5	40	BEBB	
Cc1cccc([N+](=O)[O-])c1NCCn1cccn1	108945312	OSWVHUIGTAKWOQ-UHFFFAOYSA-N	246.270	2.212	5	40	BEBB	
Cc1ccc([N+](=O)[O-])c(=O)n1-c1ccccc1	616567863	OSBCVQJXMUGWCR-UHFFFAOYSA-N	230.223	2.054	5	40	BEBB	
Cn1cnc([N+](=O)[O-])c1Oc1ccccc1	33508	VMLJJTZTMKBFPE-UHFFFAOYSA-N	219.200	2.121	5	40	BEBB	
CCOC(=O)/C=C\c1cccc([N+](=O)[O-])c1	16892135	QZEPRSLOWNHADS-SREVYHEPSA-N	221.212	2.171	5	40	BEBB	
NCCCCNc1ccc(Cl)cc1[N+](=O)[O-]	5568059	HWENWKDYQUAKSD-UHFFFAOYSA-N	243.694	2.399	5	40	BEBB	
COc1ccc2c(c(C=O)c(C)n2C)c1[N+](=O)[O-]	140652426	MDVXRSHCMGOGPX-UHFFFAOYSA-N	248.238	2.216	5	40	BEBB	
Cc1cncc([N+](=O)[O-])c1Br	95883922	OINRJXWIYCCBBD-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	in-vitro
CC(C)(C)OC(=O)Nc1cncc([N+](=O)[O-])c1	95931303	LGMWSJLUOKYYLH-UHFFFAOYSA-N	239.231	2.337	5	40	BEBB	
O=[N+]([O-])c1cc[n+]([O-])cc1/C=C/c1ccccc1	1684049	ZWJLRFXTAQXYCQ-VOTSOKGWSA-N	242.234	2.399	5	40	BEBB	
O=[N+]([O-])c1cccc(F)c1OCC(F)F	169800301	JWYNAYLULRMHAE-UHFFFAOYSA-N	221.134	2.378	5	40	BEBB	
C[C@H]1C[N+](C)(C)[C@@H](C)C[C@@]1(O)c1ccccc1	493121	RDGIXPIEDMFNBB-YDHLFZDLSA-N	234.363	2.379	5	40	BEBB	
CCN(CC)c1ccc([N+](=O)[O-])c(C(=O)O)c1	19844564	FVTCBHSFFXVRKV-UHFFFAOYSA-N	238.243	2.139	5	40	BEBB	
O=C(O)c1cc2c(F)ccc([N+](=O)[O-])c2o1	97463346	NENHFVKPNQXRSB-UHFFFAOYSA-N	225.131	2.178	5	40	BEBB	
CC[C@@H](C)NC(=O)Cc1ccccc1[N+](=O)[O-]	6596322	YEZILAHNFXTIFO-SECBINFHSA-N	236.271	2.052	5	40	BEBB	
Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])cn1	25150324	FIGZQCATSUVURU-UHFFFAOYSA-N	247.258	2.084	5	40	BEBB	
O=[N+]([O-])c1cc2cccc([N+](=O)[O-])c2o1	5665042	AUHLOLLFEHOCQJ-UHFFFAOYSA-N	208.129	2.249	5	40	BEBB	
Cc1c(F)cc([N+](=O)[O-])c2nc(C=O)ccc12	85399766	DRRZXZDEXCSYCB-UHFFFAOYSA-N	234.186	2.403	5	40	BEBB	
Cc1cnn(Cc2c(F)cccc2[N+](=O)[O-])c1	96428960	HEBGBNDWIGHRLW-UHFFFAOYSA-N	235.218	2.287	5	40	BEBB	
O=c1[nH]c2cc(O)ccc2c2ccccc12	16924796	ZSAFVBXMDKESOY-UHFFFAOYSA-N	211.220	2.387	5	40	BEBB	
Cn1c(=O)cnc2c3ccccc3ccc21	1627274	HSXYURLTNGSSPQ-UHFFFAOYSA-N	210.236	2.087	5	40	BEBB	
CN1CCc2ccc([N+](=O)[O-])c(Cl)c2CC1	29060907	ROKNURNBPSXKMO-UHFFFAOYSA-N	240.690	2.279	5	40	BEBB	
Cc1cc(C(=O)O)c(Cl)cc1[N+](=O)[O-]	39118892	OPXHWEVLBGQQRA-UHFFFAOYSA-N	215.592	2.255	5	40	BEBB	
O=[N+]([O-])c1ccc(SC=C=CCO)cc1	1863063	RTOZNZRMMOKIKD-UHFFFAOYSA-N	223.253	2.348	5	40	BEBB	
Cc1cccn2c1nc(=O)c1cc(F)ccc12	32922265	QTNYTTBASRXPOS-UHFFFAOYSA-N	228.226	2.295	5	40	BEBB	
CCc1nc2cc([N+](=O)[O-])ccc2n1C	29753771	FDSPVFOXTZKCNZ-UHFFFAOYSA-N	205.217	2.044	5	40	BEBB	
CCOC(=O)C[C@]1(C[N+](=O)[O-])CC[C@H](C)C1	95347579	RWQOCDVVKSXCMT-ONGXEEELSA-N	229.276	2.023	5	40	BEBB	in-vitro
O=C(O)C[C@H](C[N+](=O)[O-])c1ccc(Cl)cc1	34567502	KYJIWWFRFAYPGO-MRVPVSSYSA-N	243.646	2.175	5	40	BEBB	
Cc1cc([N+](=O)[O-])ccc1-c1ccc(C(N)=O)o1	40544999	WHVNQNVSTPQEQW-UHFFFAOYSA-N	246.222	2.262	5	40	BEBB	
Cc1ccn(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1	69974695	VBSXSVZUDIJDGG-UHFFFAOYSA-N	244.250	2.113	5	40	BEBB	
CN(C)CCOc1c(Cl)cccc1[N+](=O)[O-]	72233447	OGASHHCZEXWKTQ-UHFFFAOYSA-N	244.678	2.189	5	40	BEBB	
Cc1ccc(-c2ccc(C(N)=O)o2)cc1[N+](=O)[O-]	40544819	XWMUGYDZGJYBSF-UHFFFAOYSA-N	246.222	2.262	5	40	BEBB	
O=[N+]([O-])c1c(F)cccc1OC[C@H]1CCCO1	54268920	QTJAYXIQDJSCLT-MRVPVSSYSA-N	241.218	2.292	5	40	BEBB	
CCc1nccn1-c1ccc([N+](=O)[O-])cc1F	72334128	DVTCTEHRUARPAB-UHFFFAOYSA-N	235.218	2.482	5	40	BEBB	
CC(C)c1ccc(OCC(=O)O)c([N+](=O)[O-])c1	216908334	REMOYOFKHQQHBR-UHFFFAOYSA-N	239.227	2.182	5	40	BEBB	
Cc1nc(CNc2ncccc2[N+](=O)[O-])oc1C	48837341	UOVLPXLLPNYYHS-UHFFFAOYSA-N	248.242	2.207	5	40	BEBB	
O=[N+]([O-])c1ccc2c(c1)[C@@](O)(C(F)(F)F)CC2	1772715283	PBCMSSUIKXUHHC-SECBINFHSA-N	247.172	2.291	5	40	BEBB	
CC[N+]1(CC)CC[N+]2(CCC[C@@H](C)CC2)CC1	1646437	MRXFZACGNKESHF-OAHLLOKOSA-N	240.435	2.493	5	40	BEBB	
C[N+](C)(C)CCC[N+]1(C)Cc2ccccc2C1	1677239	JFHNOCCFHMDCJW-UHFFFAOYSA-N	234.387	2.243	5	40	BEBB	
O=C(O)C/C=C/c1cccc([N+](=O)[O-])c1	2526420	ODORNFZJPJSKAP-DUXPYHPUSA-N	207.185	2.083	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(F)cc1OC1CCOCC1	68675320	UBOPIEBCGHAULF-UHFFFAOYSA-N	241.218	2.292	5	40	BEBB	
COc1cc(Br)c(O)cc1[N+](=O)[O-]	97447148	FDPQBZXVKGFXGS-UHFFFAOYSA-N	248.032	2.072	5	40	BEBB	
COC(=O)CCc1c[nH]c2c([N+](=O)[O-])cccc12	1857793176	BNIRHTXCMKDKIM-UHFFFAOYSA-N	248.238	2.182	5	40	BEBB	
COc1cc2c(cc1OC)[C@@H](C)[N+](C)(C)CC2	265546	FCEQHORQQAMDBR-SNVBAGLBSA-N	236.335	2.397	5	40	BEBB	biogenic
CC1(C)COC(c2ccc([N+](=O)[O-])cc2)=N1	338789	XYFBYFUMLQSBIH-UHFFFAOYSA-N	220.228	2.150	5	40	BEBB	
CCc1noc(-c2ccc(NC)c([N+](=O)[O-])c2)n1	20897969	UIAGYAWJXHRPRW-UHFFFAOYSA-N	248.242	2.249	5	40	BEBB	
Cc1cc(=O)oc2cc3occc(=O)c3cc12	1611266	VIGAUTIKRZQRBV-UHFFFAOYSA-N	228.203	2.208	5	40	BEBB	
O=[N+]([O-])c1ccc(CO[C@@H]2CCCCO2)o1	162103	OHDHWVXJNNVQLR-SNVBAGLBSA-N	227.216	2.231	5	40	BEBB	
O=Cc1cc([N+](=O)[O-])ccc1OCC(F)F	37756024	SRFIHNZRFPVQQK-UHFFFAOYSA-N	231.154	2.051	5	40	BEBB	
Nc1c([N+](=O)[O-])cc(Cl)c2ccncc12	52508148	YAQAGXKRDZXHMD-UHFFFAOYSA-N	223.619	2.379	5	40	BEBB	
N=C(N)c1cc(Cl)c(Cl)cc1[N+](=O)[O-]	199559360	LMRITSDVGKXMFR-UHFFFAOYSA-N	234.042	2.186	5	40	BEBB	
Cc1cn(-c2ccc([N+](=O)[O-])cc2)cn1	34865786	BBTVYTDNOUZWNJ-UHFFFAOYSA-N	203.201	2.089	5	40	BEBB	
CCn1cc(/C=C/c2ccc([N+](=O)[O-])cn2)cn1	84503491	OPWLFIHIRMRBCW-ONEGZZNKSA-N	244.254	2.377	5	40	BEBB	
COC(=O)/C=C(/C)Nc1ccc([N+](=O)[O-])cc1	104085739	LXDHGUMALVAHEM-FPLPWBNLSA-N	236.227	2.084	5	40	BEBB	
O=[N+]([O-])C12CCCCC1([N+](=O)[O-])CCCC2	1733906	CQGVSBSSFFMSRC-UHFFFAOYSA-N	228.248	2.165	5	40	BEBB	
CSc1ccc(C(=O)O)c([N+](=O)[O-])c1	34202985	VDIKJTUGYIOQTP-UHFFFAOYSA-N	213.214	2.015	5	40	BEBB	
C[C@](O)(c1ccc([N+](=O)[O-])cc1)C(F)(F)F	43368155	VUESJESTGDDESM-QMMMGPOBSA-N	235.161	2.365	5	40	BEBB	
COc1nccc2c([N+](=O)[O-])cccc12	353580	CAXSRYRPMLQNHD-UHFFFAOYSA-N	204.185	2.152	5	40	BEBB	
O=c1c2ccccc2[nH]c2cc(O)cc(O)c12	5594105	RWJOWUMRFOUHTR-UHFFFAOYSA-N	227.219	2.093	5	40	BEBB	biogenic
O=[N+]([O-])c1ccccc1-c1cn2cccnc2n1	113331738	BYUJHPBMNWNYHR-UHFFFAOYSA-N	240.222	2.305	5	40	BEBB	
O=c1oc2c(O)cccc2c2ccc(O)cc12	2362797606	RQCIOPIDAACJPK-UHFFFAOYSA-N	228.203	2.357	5	40	BEBB	
CN(C)c1c(Cl)cc([N+](=O)[O-])cc1[N+](=O)[O-]	45886516	URIFBBRSIFGPLH-UHFFFAOYSA-N	245.622	2.222	5	40	BEBB	
CCOC(=O)c1cc([N+](=O)[O-])cc(F)c1F	54207621	NHEKHQXERSEBAK-UHFFFAOYSA-N	231.154	2.050	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(-n2cnc(Cl)c2)cc1	69949557	WKFASFILKPLHIS-UHFFFAOYSA-N	223.619	2.434	5	40	BEBB	
O=c1oc2ccccc2c(=O)c2ccccc12	1713880	YOKBSFKAGIUKJN-UHFFFAOYSA-N	224.215	2.306	5	40	BEBB	
COc1nsc2ccc([N+](=O)[O-])cc12	3643513	LMEVWYJONLGKSE-UHFFFAOYSA-N	210.214	2.213	5	40	BEBB	
O=C(O)Cc1cccn1-c1cccc([N+](=O)[O-])c1	20457263	GXMADVYEOMUJBZ-UHFFFAOYSA-N	246.222	2.013	5	40	BEBB	
COc1cc2oc(=O)cc(C)c2cc1[N+](=O)[O-]	1789748	WDTSLGKXQQQGGL-UHFFFAOYSA-N	235.195	2.018	5	40	BEBB	
Cn1cnc2cc([N+](=O)[O-])cc(Cl)c21	67802421	HGZVRISBIBYVNB-UHFFFAOYSA-N	211.608	2.135	5	40	BEBB	
CCN(CC)c1ccc(N)cc1[N+](=O)[O-]	71511462	SRGSWLWJNZMAOU-UHFFFAOYSA-N	209.249	2.023	5	40	BEBB	
Nc1ccc2c3c(ccc([N+](=O)[O-])c13)CC2	1727937	IYLGGBYTVZQMAU-UHFFFAOYSA-N	214.224	2.429	5	40	BEBB	
CCCNC(=O)c1cccc([N+](=O)[O-])c1C	5430975	WMRXUIIVMHABQH-UHFFFAOYSA-N	222.244	2.043	5	40	BEBB	
COc1cc(C)nc2ccc([N+](=O)[O-])cc12	37638086	BBNDMUBVXDYIRY-UHFFFAOYSA-N	218.212	2.460	5	40	BEBB	
Cc1ccccc1-c1n[nH]cc1[N+](=O)[O-]	42415207	LWKMIUTYKMZMMB-UHFFFAOYSA-N	203.201	2.293	5	40	BEBB	
C[C@](O)(c1ccccc1[N+](=O)[O-])C(F)(F)F	43368028	YXUUANHTOGDQKO-QMMMGPOBSA-N	235.161	2.365	5	40	BEBB	
CCN(CC)c1cc(N)c(C)cc1[N+](=O)[O-]	226262321	HTARIWWXBUKGOJ-UHFFFAOYSA-N	223.276	2.332	5	40	BEBB	
CC(=O)Nc1cc([N+](=O)[O-])c(C)cc1F	48513482	DQYIOKYCMDVCGA-UHFFFAOYSA-N	212.180	2.001	5	40	BEBB	
O=C(O)C1(c2cccc([N+](=O)[O-])c2)CCCC1	59673282	BVAOIPADLHCOAO-UHFFFAOYSA-N	235.239	2.491	5	40	BEBB	
C[N+]1(C)CCC[C@H](C[N+]2(C)CCCCCC2)C1	526051548	FCUBVWWNZUMCPI-HNNXBMFYSA-N	240.435	2.493	5	40	BEBB	
Cc1ccc(Cn2cnc([N+](=O)[O-])c2)cc1	12627809	FODVRWXXURQQGO-UHFFFAOYSA-N	217.228	2.148	5	40	BEBB	in-vitro
CC[C@H](C)NCc1ccc([N+](=O)[O-])cc1	8326752	TZTASTZZQIKQRG-VIFPVBQESA-N	208.261	2.483	5	40	BEBB	
Cc1cc([N+](=O)[O-])ncc1Br	67171994	OZAONQSRAXEGMW-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	in-vitro
CCOc1ccccc1-c1n[nH]cc1[N+](=O)[O-]	96527453	BNDDIYKPJRAORO-UHFFFAOYSA-N	233.227	2.384	5	40	BEBB	
Cc1[nH]c2cc([N+](=O)[O-])ccc2c1[N+](=O)[O-]	1719409	JEKLOMCNFGSKHY-UHFFFAOYSA-N	221.172	2.293	5	40	BEBB	
Cc1cnn(-c2ccc(F)cc2[N+](=O)[O-])c1	12396508	HPCKIWISQMRVFK-UHFFFAOYSA-N	221.191	2.228	5	40	BEBB	
CC(C)Oc1n[nH]c2ccc([N+](=O)[O-])cc12	72226530	WNOSEOFMALPYLU-UHFFFAOYSA-N	221.216	2.258	5	40	BEBB	
NCC1(c2ccccc2[N+](=O)[O-])CCCC1	260126167	PVBMVAGAPZTDQJ-UHFFFAOYSA-N	220.272	2.365	5	40	BEBB	
CC(=O)Nc1nc2cc([N+](=O)[O-])ccc2s1	328276	IZHZYVFQTCKCDH-UHFFFAOYSA-N	237.240	2.163	5	40	BEBB	
CC(C)c1noc(-c2ccc([N+](=O)[O-])c(O)c2)n1	97102715	NSIHMQKOBYOBQO-UHFFFAOYSA-N	249.226	2.474	5	40	BEBB	
CC(C)NC(=S)Nc1cccc([N+](=O)[O-])c1	6538633	XUXMGDLPOKBEDJ-UHFFFAOYSA-N	239.300	2.290	5	40	BEBB	
Nc1cc(N2CCCC2)c([N+](=O)[O-])cc1Cl	45891154	CHIXJWLGQOBCNH-UHFFFAOYSA-N	241.678	2.431	5	40	BEBB	
COc1cc([N+](=O)[O-])c(C(=O)O)cc1SC	57218606	GTAANEOXZIUSGB-UHFFFAOYSA-N	243.240	2.024	5	40	BEBB	in-vitro
COC(=O)c1c(C)c([N+](=O)[O-])cc(C)c1OC	57339733	ZLPANQBHODOOFZ-UHFFFAOYSA-N	239.227	2.007	5	40	BEBB	
CC(C)CNC(=O)c1ccc(F)c([N+](=O)[O-])c1	37248062	MHLQJMWBQLLWPY-UHFFFAOYSA-N	240.234	2.120	5	40	BEBB	
Cc1nc(Nc2cc(C)n(C)n2)ccc1[N+](=O)[O-]	91628621	VUKGNMHNXNSQPI-UHFFFAOYSA-N	247.258	2.084	5	40	BEBB	
O=Cc1cc(F)c([N+](=O)[O-])cc1Br	258818858	CUBMDKAXHKBIDN-UHFFFAOYSA-N	248.007	2.309	5	40	BEBB	
CC(C)(O)c1ccc(C[N+](C)(C)C)cc1	1662347	CBLJXIVOVBGINC-UHFFFAOYSA-N	208.325	2.120	5	40	BEBB	
N[C@H]1[C@H]2CC[C@@H]1Cc1ccc([N+](=O)[O-])cc1C2	95917826	FYKNRHVDYJBERM-GBIKHYSHSA-N	232.283	2.047	5	40	BEBB	
Oc1ccc2nc3c(O)cccc3nc2c1	76495098	OMRMYNFKUTXJCI-UHFFFAOYSA-N	212.208	2.194	5	40	BEBB	
c1cnc2c(c1)ccc1ccc(C3CNC3)nc12	1857794050	CIVYGRNTVAWBPV-UHFFFAOYSA-N	235.290	2.470	5	40	BEBB	
c1ccc2c(c1)oc1c2ncn2cnnc12	5604901	ORQLGQFMLZBAEZ-UHFFFAOYSA-N	210.196	2.024	5	40	BEBB	
O=[N+]([O-])c1ccn(CC2CCCCC2)n1	71791961	KELVAPLJNMWOBV-UHFFFAOYSA-N	209.249	2.372	5	40	BEBB	
O=[N+]([O-])c1cc2cn[nH]c2cc1OC(F)(F)F	1083099251	MMTUGTNVYDEETC-UHFFFAOYSA-N	247.132	2.370	5	40	BEBB	
O=C(c1ccccc1)c1ccncc1[N+](=O)[O-]	34117273	QUPMIVUMNSOULW-UHFFFAOYSA-N	228.207	2.221	5	40	BEBB	
Cc1ccc(Oc2ncccc2[N+](=O)[O-])cn1	49099864	UAFAAGJJZJZLHR-UHFFFAOYSA-N	231.211	2.486	5	40	BEBB	
CCOC(=O)C(C)(C)c1ccc([N+](=O)[O-])cc1	34580242	SEQTUSZKRDHNDC-UHFFFAOYSA-N	237.255	2.436	5	40	BEBB	
Cc1cnc(Sc2ncc[nH]2)c([N+](=O)[O-])c1	78670078	FAMPUFZQTIEWKF-UHFFFAOYSA-N	236.256	2.173	5	40	BEBB	
O=c1c2ccccc2c2ccccc2n1O	1724167	IDKSBAOQDSUATQ-UHFFFAOYSA-N	211.220	2.392	5	40	BEBB	
CCCSc1nc(C)[nH]c1[N+](=O)[O-]	5919271	VKMLNEUTMLASHC-UHFFFAOYSA-N	201.251	2.128	5	40	BEBB	
O=[N+]([O-])c1c(F)cccc1OC(F)F	47203262	WSPXZNIADKYBDH-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	
CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])cc1	5247760	NQWMXRNYYFMIIL-QMMMGPOBSA-N	222.244	2.123	5	40	BEBB	
O=C(CN1CCCCC1)c1cccc([N+](=O)[O-])c1	5944443	MUIQMOHFJOGFRN-UHFFFAOYSA-N	248.282	2.263	5	40	BEBB	
O=c1c2ccccc2[nH]c2c(O)cccc12	16525191	IHQWDTIWYJZZAJ-UHFFFAOYSA-N	211.220	2.387	5	40	BEBB	
O=C(O)c1cc(Cl)c(F)cc1[N+](=O)[O-]	148322195	SYQPHIBSUVTKAV-UHFFFAOYSA-N	219.555	2.086	5	40	BEBB	
O=[N+]([O-])c1cc2c(cc1Cl)OCCO2	4844067	CHSUFMWHKPBFBY-UHFFFAOYSA-N	215.592	2.019	5	40	BEBB	
CC(C)[C@H](C)NC(=O)c1cccc([N+](=O)[O-])c1	17055024	PKICZUUQWGXQGM-VIFPVBQESA-N	236.271	2.369	5	40	BEBB	
CCS(=O)(=O)/C=C/c1cccc([N+](=O)[O-])c1	96510041	RRLHQMGLOBCYJY-VOTSOKGWSA-N	241.268	2.000	5	40	BEBB	
O=c1[nH]cc(Cc2ccc(F)cc2)cc1[N+](=O)[O-]	144419255	CUYXBYKZNMCVND-UHFFFAOYSA-N	248.213	2.013	5	40	BEBB	
CCNc1sc(C(C)=O)cc1[N+](=O)[O-]	4258312	OWIAPOILUMPHHP-UHFFFAOYSA-N	214.246	2.291	5	40	BEBB	
CNc1ccc(Nc2ccc([N+](=O)[O-])cn2)cn1	42739435	NCUMVALQMQRFNX-UHFFFAOYSA-N	245.242	2.170	5	40	BEBB	
CCC(=O)Nc1cccc([N+](=O)[O-])c1C	38762	XRWOREYTADZPQQ-UHFFFAOYSA-N	208.217	2.252	5	40	BEBB	
CCNC(=S)Nc1ccc(C)c([N+](=O)[O-])c1	7522806	CALSBKZDXJSMND-UHFFFAOYSA-N	239.300	2.210	5	40	BEBB	
C[C@H]1Sc2ccc([N+](=O)[O-])cc2NC1=O	95644349	BKCNCIQMFHFQGI-RXMQYKEDSA-N	224.241	2.028	5	40	BEBB	
O=c1c2cc(O)ccc2oc2cc(O)cc(O)c12	6094144	JJUNZBRHHGLJQW-UHFFFAOYSA-N	244.202	2.063	5	40	BEBB	endogenous,in-man
Cc1ccc(C(=O)NCC2CC2)cc1[N+](=O)[O-]	24830650	WPOPDBPKXNUEGH-UHFFFAOYSA-N	234.255	2.043	5	40	BEBB	
O=C(O)/C=C\c1cc([N+](=O)[O-])ccc1Cl	32232095	IHTLKLSRRSWIGD-RJRFIUFISA-N	227.603	2.346	5	40	BEBB	
CCOCCCNCc1ccc([N+](=O)[O-])cc1	2923950	VDAWPTHFWAAZNB-UHFFFAOYSA-N	238.287	2.111	5	40	BEBB	
Cc1cnn(-c2ccccc2[N+](=O)[O-])c1	12397970	QWDVRUZPHGNQGI-UHFFFAOYSA-N	203.201	2.089	5	40	BEBB	
O=[N+]([O-])c1cccnc1Nc1ccc(O)cc1	20324471	JXFQQBURVUFYSH-UHFFFAOYSA-N	231.211	2.439	5	40	BEBB	
COc1cc(Cl)c([N+](=O)[O-])cc1OC	35186582	CPADFRBFGBIDQD-UHFFFAOYSA-N	217.608	2.265	5	40	BEBB	
O=C(O)c1cc2cccc([N+](=O)[O-])c2o1	91696103	ILIVDVZLSDYKJX-UHFFFAOYSA-N	207.141	2.039	5	40	BEBB	
COCCNc1ccc([N+](=O)[O-])c2cnccc12	15173571	BNDSBZDFOLAEFC-UHFFFAOYSA-N	247.254	2.201	5	40	BEBB	
CC(C)/C=C/[C@@H](O)[C@@H](Cc1ccccc1)[N+](=O)[O-]	68606198	LMZZDULMEREUDZ-SJXIGLKTSA-N	249.310	2.448	5	40	BEBB	
Nc1c([N+](=O)[O-])c(Cl)nc2ccccc12	71256333	UBPICIQNBFNDIQ-UHFFFAOYSA-N	223.619	2.379	5	40	BEBB	
Cc1cccc(OCCn2cccn2)c1[N+](=O)[O-]	89688890	DUPLAMRGBRGPEM-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
CC[N+](C)(C)Cc1cc(C(C)=O)ccc1OC	348691	SGDPBRDEVPDNEW-UHFFFAOYSA-N	236.335	2.494	5	40	BEBB	
CC[C@](C)(O)CNc1ccc([N+](=O)[O-])c(C)c1	71899555	LKILXSMLTQTUFL-LBPRGKRZSA-N	238.287	2.476	5	40	BEBB	
Cc1cn(Cc2ccc(F)cc2)nc1[N+](=O)[O-]	335710939	GZPZCKLBVBCZCZ-UHFFFAOYSA-N	235.218	2.287	5	40	BEBB	
CNC(=O)Oc1ccc2ccccc2c1[N+](=O)[O-]	1716472	TXISZDKEGXYQSE-UHFFFAOYSA-N	246.222	2.466	5	40	BEBB	
COc1cccc2c1nc1ccccc1[n+]2[O-]	4426042	BUGFXFMSRVRPNJ-UHFFFAOYSA-N	226.235	2.030	5	40	BEBB	
CNc1c([N+](=O)[O-])cc([N+](=O)[O-])c2cccnc12	4428017	MORYNZKYPVSMCF-UHFFFAOYSA-N	248.198	2.093	5	40	BEBB	
CCSc1ccc([N+](=O)[O-])cc1C(=O)O	19869579	IJTCOUXINTZYDS-UHFFFAOYSA-N	227.241	2.405	5	40	BEBB	in-vitro
O=c1oc2cc([N+](=O)[O-])cc(C(F)(F)F)c2o1	2540391	HUSBXTVEARGMKA-UHFFFAOYSA-N	249.100	2.313	5	40	BEBB	
O=C(O)c1ccc(Cc2ccc([N+](=O)[O-])cc2)o1	85393599	CZASJJPVZHMCNM-UHFFFAOYSA-N	247.206	2.477	5	40	BEBB	
O=C(Cc1ccccc1[N+](=O)[O-])C1CC1	38125892	JNRZUKPLNJZWNF-UHFFFAOYSA-N	205.213	2.116	5	40	BEBB	in-vitro
O=[N+]([O-])c1nc[nH]c1-c1ccc(F)cc1	12604482	GIIYFQFCQCAPKL-UHFFFAOYSA-N	207.164	2.124	5	40	BEBB	in-vitro
CSc1ccc(C(=O)N(C)C)cc1[N+](=O)[O-]	17395663	KCUOEHDPFHWMRW-UHFFFAOYSA-N	240.284	2.019	5	40	BEBB	
O=C(Nc1ccccc1[N+](=O)[O-])N1CCCC1	24233146	GVXZLOXHFCMWRT-UHFFFAOYSA-N	235.243	2.223	5	40	BEBB	in-vitro
Cc1ccnc(-n2cccc2)c1[N+](=O)[O-]	34252829	BSJDEUJISIOWPT-UHFFFAOYSA-N	203.201	2.089	5	40	BEBB	
CCC(=O)Oc1cc([N+](=O)[O-])cc2cccnc12	828290	AGBRYCICKMRADM-UHFFFAOYSA-N	246.222	2.458	5	40	BEBB	
O=[N+]([O-])c1cccc([N+](=O)[O-])c1C1CC1	5567579	BTNOTHNHJBVVTI-UHFFFAOYSA-N	208.173	2.380	5	40	BEBB	
CC(C)NC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12	95447680	VZNDHGQXASOHFU-UHFFFAOYSA-N	247.254	2.214	5	40	BEBB	
CN1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1	37247450	HYLCDKSKDUGEPS-UHFFFAOYSA-N	235.287	2.101	5	40	BEBB	
CN(C)[C@@H]1[C@H]2CC[C@@](C)([C@H]1[N+](C)(C)C)C2(C)C	245239291	HHDIWALGULTOCF-CXTNEJHOSA-N	239.427	2.448	5	40	BEBB	
C[N+]1(c2cccc(C(F)(F)F)c2)CCC(N)=N1	338574	IJIVCPNCBLHZJF-UHFFFAOYSA-N	244.240	2.318	5	40	BEBB	
COCCCOc1ccc(F)cc1[N+](=O)[O-]	67800516	IXSGKDOHZWMOTF-UHFFFAOYSA-N	229.207	2.149	5	40	BEBB	
CCS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1	1438333	VETAODCIKKRRTR-UHFFFAOYSA-N	249.675	2.042	5	40	BEBB	
O=[N+]([O-])c1cc(Cl)ccc1-n1cccn1	72336334	YYKUWVRHVIILNR-UHFFFAOYSA-N	223.619	2.434	5	40	BEBB	
COC(=O)c1ccc(C(F)F)c([N+](=O)[O-])c1	328578924	ZSBCNHLWLUYLAY-UHFFFAOYSA-N	231.154	2.319	5	40	BEBB	
O=[N+]([O-])c1ccc(OCc2ccco2)nc1	32627541	DQTSFYSTYVVZHJ-UHFFFAOYSA-N	220.184	2.162	5	40	BEBB	in-vitro
CC(C)Nc1ccc(C(=O)O)cc1[N+](=O)[O-]	13276572	NUPCSJZDHMGMBF-UHFFFAOYSA-N	224.216	2.113	5	40	BEBB	
Oc1nc2ccc3nc(O)c4ccc1c2c34	17419241	PJIPQAKXPYZBNO-UHFFFAOYSA-N	210.192	2.223	5	40	BEBB	
CN(CCOc1ccccc1[N+](=O)[O-])C1CC1	51902572	XDKLVQHVEPGVQQ-UHFFFAOYSA-N	236.271	2.068	5	40	BEBB	
NCCOc1ccc2nc3ccccc3nc2c1	85390727	VJQXYRIOGVUJTN-UHFFFAOYSA-N	239.278	2.121	5	40	BEBB	
Cc1cccc(Cn2cc([N+](=O)[O-])ccc2=O)c1	10023498	PHGZETGLHZIMGJ-UHFFFAOYSA-N	244.250	2.113	5	40	BEBB	
C[N+]1([C@@H]2CC[C@@H]3CCC[C@@H]2[C@@H]3O)CCCC1	100570904	XPLDIPBUNDHFNG-IGQOVBAYSA-N	224.368	2.166	5	40	BEBB	
CCOC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12	43874451	SLHPWWZFMQHSFY-UHFFFAOYSA-N	234.211	2.253	5	40	BEBB	
Nc1nc2c(Cl)cc([N+](=O)[O-])c(N)c2s1	45891401	MZFRPVQTUCKXAG-UHFFFAOYSA-N	244.663	2.022	5	40	BEBB	
O=[N+]([O-])c1cccc(OC(F)F)c1F	47203263	RGFJFSJXVNUFLP-UHFFFAOYSA-N	207.107	2.335	5	40	BEBB	in-vitro
COc1cc(F)c([N+](=O)[O-])c(Cl)c1	1857775566	RWAMTNLEGXWAPN-UHFFFAOYSA-N	205.572	2.396	5	40	BEBB	
CCOc1cc(/C=C(\C)[N+](=O)[O-])ccc1O	76539	PPZCVPJQPOPRLZ-SOFGYWHQSA-N	223.228	2.428	5	40	BEBB	
COc1ccc2c(=O)n3ccccc3cc2c1	3847869	IHUMESDQWZWQBP-UHFFFAOYSA-N	225.247	2.461	5	40	BEBB	biogenic
C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)O1	4361863	ZZBYVKYAISMKDR-UWVGGRQHSA-N	236.271	2.208	5	40	BEBB	
COc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1	2087055234	XHZVNFRWQABORW-UHFFFAOYSA-N	231.211	2.060	5	40	BEBB	
C[N+]1(CCC2CCCCC2)CCOCC1	1665290	WAEGPUDSQIZMEJ-UHFFFAOYSA-N	212.357	2.434	5	40	BEBB	
Cc1cc2c(Cl)c([N+](=O)[O-])cnc2[nH]1	238500970	JIEKBWYJEHZNGW-UHFFFAOYSA-N	211.608	2.433	5	40	BEBB	
Cc1c(C(=O)O)[nH]c2ccc([N+](=O)[O-])cc12	790611	BUWLROXHVDVDKY-UHFFFAOYSA-N	220.184	2.083	5	40	BEBB	
Cc1c([N+](=O)[O-])ccnc1Br	95837025	ZJAOQVPWZPIWQF-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
Cc1cc(Sc2ncco2)ncc1[N+](=O)[O-]	390835403	MSNZKWIMEMVHMU-UHFFFAOYSA-N	237.240	2.437	5	40	BEBB	
O=[N+]([O-])c1c2c(cc3c1[C@@H](CO)CC3)CCC2	2088617673	NUCRGDSOQYBTFV-SNVBAGLBSA-N	233.267	2.106	5	40	BEBB	
Cc1cc(COc2ccc([N+](=O)[O-])cc2)on1	9256564	LLGRRKOQUMSZGD-UHFFFAOYSA-N	234.211	2.470	5	40	BEBB	
Cc1cc2c(c(N)n1)c(=O)oc1ccccc12	13116032	IBYKUFVAOHGLRZ-UHFFFAOYSA-N	226.235	2.232	5	40	BEBB	
O=Cc1c([N+](=O)[O-])cccc1C(F)(F)F	2568749	FJSYVQQVFJMOGM-UHFFFAOYSA-N	219.118	2.426	5	40	BEBB	
CC(C)(C)[C@@H](O)CNc1ccc([N+](=O)[O-])cc1	71900429	XEWRCSYFEJUJTH-NSHDSACASA-N	238.287	2.414	5	40	BEBB	
O=C(NCC1CC1)Nc1cccc([N+](=O)[O-])c1	25237557	IENTVMPQALJJHW-UHFFFAOYSA-N	235.243	2.126	5	40	BEBB	
O=[N+]([O-])c1ccc(F)c(C(F)F)c1O	575629435	XACULPQTIFWAIC-UHFFFAOYSA-N	207.107	2.377	5	40	BEBB	
Cc1ncn(-c2ccc([N+](=O)[O-])cc2Cl)n1	2362803460	BQSPDRTUIPBMNG-UHFFFAOYSA-N	238.634	2.137	5	40	BEBB	
CC(=O)c1c([N+](=O)[O-])ccc(F)c1F	22009538	GBUSFKIIXDZISU-UHFFFAOYSA-N	201.128	2.076	5	40	BEBB	
O=[N+]([O-])c1ccc(CCNc2ncccn2)cc1	40676201	YVTXZQFMIHNTKX-UHFFFAOYSA-N	244.254	2.039	5	40	BEBB	
CNCc1cc(Br)ccc1[N+](=O)[O-]	88611679	IQWKACZNNODICN-UHFFFAOYSA-N	245.076	2.077	5	40	BEBB	in-vitro
Cc1cc(C)n(-c2ccccc2[N+](=O)[O-])n1	40370	QMZNMSDEDVOGRJ-UHFFFAOYSA-N	217.228	2.397	5	40	BEBB	
C[N+]1(C)[C@H]2C=C(c3ccccc3)C[C@@H]1COC2	1711490	QRSJXOCIDOERRB-LSDHHAIUSA-N	230.331	2.318	5	40	BEBB	
CCCCCOC(=O)CCCC[N+](=O)[O-]	104948622	KAYUASDVQVMAIL-UHFFFAOYSA-N	217.265	2.167	5	40	BEBB	
CCc1cc([N+](=O)[O-])cc2sc(N)nc12	226314782	WSZAUVJXMNIWFX-UHFFFAOYSA-N	223.257	2.349	5	40	BEBB	
O=C(O)c1cccn1-c1cccc([N+](=O)[O-])c1	268833	QMZRAQMJIYIJPV-UHFFFAOYSA-N	232.195	2.084	5	40	BEBB	
C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)O	1625473	AWWVCUPVXCDDHS-SREVYHEPSA-N	207.185	2.083	5	40	BEBB	in-vitro
C[C@@H](/C=C/c1ccc2c(c1)OCO2)[N+](=O)[O-]	1752881	CLPNZMJFDBSNRO-SGJFDWMWSA-N	221.212	2.094	5	40	BEBB	
CC[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(C)c1	5468594	KFLPZOGYWUJFMQ-VIFPVBQESA-N	236.271	2.432	5	40	BEBB	
Cc1cc(OC2CCNCC2)ccc1[N+](=O)[O-]	14631964	VVHPVUKDPMPWKE-UHFFFAOYSA-N	236.271	2.034	5	40	BEBB	
CCC1([N+](=O)[O-])COC(c2ccccc2)OC1	1566640	PJXSDTMXNJMFJD-UHFFFAOYSA-N	237.255	2.158	5	40	BEBB	
CC(C)(COC(=O)Nc1ccccc1)[N+](=O)[O-]	1676485	ILAKSNMRPQGCEK-UHFFFAOYSA-N	238.243	2.290	5	40	BEBB	
CCOC(=O)c1cc2c([N+](=O)[O-])cccc2[nH]1	1723128	LXUABEANNNKOLF-UHFFFAOYSA-N	234.211	2.253	5	40	BEBB	
O=[N+]([O-])c1ccc(NO)cc1C(F)(F)F	35644588	FEPOPFNZFBGHBA-UHFFFAOYSA-N	222.122	2.415	5	40	BEBB	in-vitro
Cc1cccc(C(=O)N2CCCC2)c1[N+](=O)[O-]	6524425	KZZHCAQPMLUGEK-UHFFFAOYSA-N	234.255	2.139	5	40	BEBB	
Cc1c(C)c2cc([N+](=O)[O-])ccc2[nH]c1=O	220050203	NSKFEGTYTUCAMM-UHFFFAOYSA-N	218.212	2.053	5	40	BEBB	
C[C@@H](C1CC1)N(C)C(=O)c1ccc([N+](=O)[O-])cc1	32906611	DHTAANNPXLXJIU-VIFPVBQESA-N	248.282	2.465	5	40	BEBB	
CCc1nc(COc2cccc([N+](=O)[O-])c2)no1	59962038	RWLRTPXQRQHSAR-UHFFFAOYSA-N	249.226	2.119	5	40	BEBB	
CC(C)CNc1nn(C(C)C)cc1[N+](=O)[O-]	95098520	XGXNEFUJJPGVGH-UHFFFAOYSA-N	226.280	2.440	5	40	BEBB	
O=[N+]([O-])c1c(N2CCCO2)ccc2ncccc12	97108360	ROFANXCRCIXERD-UHFFFAOYSA-N	245.238	2.285	5	40	BEBB	
CCOc1ccc([N+](=O)[O-])nc1Br	1670196	XUPDQAUCKKHVRY-UHFFFAOYSA-N	247.048	2.151	5	40	BEBB	
Cc1nc2ccc(N)c([N+](=O)[O-])c2s1	4050401	GHBQLTSYSFBFOO-UHFFFAOYSA-N	209.230	2.095	5	40	BEBB	
O=c1oc2cc([N+](=O)[O-])c(C(F)(F)F)cc2o1	2540390	KDMJRQYXSKZXIW-UHFFFAOYSA-N	249.100	2.313	5	40	BEBB	
O=C(O)CCNc1cc(Cl)ccc1[N+](=O)[O-]	5344225	SAXNGELAZMUKBW-UHFFFAOYSA-N	244.634	2.135	5	40	BEBB	
Nc1c([N+](=O)[O-])ccc(F)c1C(F)(F)F	94986226	RDUFEDDRKHIWQP-UHFFFAOYSA-N	224.113	2.335	5	40	BEBB	in-vitro
C[N+]1([C@@H]2CC[C@H]3CCC[C@H]2[C@H]3O)CCCC1	101261466	XPLDIPBUNDHFNG-SYQHCUMBSA-N	224.368	2.166	5	40	BEBB	
C[N+]1([C@H]2CC[C@H]3CC[C@@H]2[C@@H]3O)CCCCC1	4061617	YLUJMEVKOOGTDN-ZOBORPQBSA-N	224.368	2.166	5	40	BEBB	
Nc1ccc([N+](=O)[O-])c(Cl)c1Cl	21304566	BOHXXTUGYSFUHK-UHFFFAOYSA-N	207.016	2.484	5	40	BEBB	
CCO[C@@H]1CN=NN1c1ccc([N+](=O)[O-])cc1	34542933	JFUPSNOWOQKVOO-SNVBAGLBSA-N	236.231	2.145	5	40	BEBB	
CC(C)Oc1c(C(=O)O)cc(F)cc1[N+](=O)[O-]	225278383	DVBVQQKUWRTBTK-UHFFFAOYSA-N	243.190	2.219	5	40	BEBB	
CN(C)C(=S)Oc1ccc([N+](C)(C)C)cc1	5064815	SGBKDLIKZTYZJB-UHFFFAOYSA-N	239.364	2.109	5	40	BEBB	
CCOC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	16892208	PFBQVGXIMLXCQB-YVMONPNESA-N	221.212	2.171	5	40	BEBB	
CC(C)n1nc([N+](=O)[O-])cc1Br	953126668	DHBFRYNWYPSOQW-UHFFFAOYSA-N	234.053	2.135	5	40	BEBB	
COC(/C=C/c1ccc([N+](=O)[O-])cc1)OC	1646386	VDHKGYLYSYUPHZ-VMPITWQZSA-N	223.228	2.227	5	40	BEBB	
COC(=O)/C=C(/C)Nc1cccc([N+](=O)[O-])c1	104086138	OOVCADKBHRTSHC-VURMDHGXSA-N	236.227	2.084	5	40	BEBB	
NCCCCOc1ccc([N+](=O)[O-])cc1Cl	1722935	RQVJTJGSOHZXMV-UHFFFAOYSA-N	244.678	2.366	5	40	BEBB	
CCOC(=O)/C=C/Nc1ccc([N+](=O)[O-])cc1	6026515	GNMJVWYUKBEHCB-BQYQJAHWSA-N	236.227	2.084	5	40	BEBB	
O=C(O)Cc1cccc2nc3ccccc3nc12	27555481	NAFPKPVWDZARKW-UHFFFAOYSA-N	238.246	2.410	5	40	BEBB	in-vitro
Cc1cc(C)c([N+](=O)[O-])c(C)c1[N+](=O)[O-]	1693301	OFMLQCPPVSVIDD-UHFFFAOYSA-N	210.189	2.428	5	40	BEBB	in-vitro
O=C(O)/C=C\C=C/c1ccccc1[N+](=O)[O-]	17354623	IJXZQTLMGOOIAI-UIOOTCRHSA-N	219.196	2.249	5	40	BEBB	
O=C(Cc1cccnc1)c1ccc([N+](=O)[O-])cc1	216786711	XBTXSJTXCKUOGK-UHFFFAOYSA-N	242.234	2.415	5	40	BEBB	
O=[N+]([O-])c1ccccc1OC1CCOCC1	67800730	LMVJVEROXTWODY-UHFFFAOYSA-N	223.228	2.153	5	40	BEBB	
O=[N+]([O-])c1cnn(CCc2ccccc2)c1	71978632	PQVATOIJLDLEIE-UHFFFAOYSA-N	217.228	2.034	5	40	BEBB	
O=[N+]([O-])c1ccc2nc3ccccc3nc2c1O	76495073	LHMJNVFFAKJMHR-UHFFFAOYSA-N	241.206	2.397	5	40	BEBB	
Cc1ccnc([N+](=O)[O-])c1Br	83428716	XUHPAVOHTMBAKI-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
C[C@@H]1C[C@@H]1C(=O)N(C)c1cccc([N+](=O)[O-])c1	97021271	FQJXQCYXIHCFHX-KCJUWKMLSA-N	234.255	2.214	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1-c1ccc(C(N)=O)o1	57351213	PZSLTBBPLMTZEA-UHFFFAOYSA-N	246.222	2.262	5	40	BEBB	
O=[N+]([O-])c1ccc([C@@H](O)C(F)(F)F)cc1F	1536100567	NGTNOBHYSZBVAP-SSDOTTSWSA-N	239.124	2.330	5	40	BEBB	
COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1F	35333547	HZXZBFRZKGKBFX-UHFFFAOYSA-N	233.582	2.174	5	40	BEBB	in-vitro
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C(=O)O	44199093	LNUYETYFPCOWCW-UHFFFAOYSA-N	220.184	2.083	5	40	BEBB	
COC(=O)c1oc([N+](=O)[O-])c(Cl)c1Cl	1612999	AUKVSIJCWIMUMD-UHFFFAOYSA-N	239.998	2.281	5	40	BEBB	
O=[N+]([O-])c1ccc(C2CC2)c([N+](=O)[O-])c1	3163782	SBYYYABVYMWKDJ-UHFFFAOYSA-N	208.173	2.380	5	40	BEBB	
C[C@H]1C[C@@](O)(c2ccccc2)[C@H](C)C[N+]1(C)C	4729910	RDGIXPIEDMFNBB-IPYPFGDCSA-N	234.363	2.379	5	40	BEBB	
Cc1nccn1-c1ccc(F)cc1[N+](=O)[O-]	12399107	OERGHDZELCGWQD-UHFFFAOYSA-N	221.191	2.228	5	40	BEBB	
C[C@@H](C(=O)O)c1c(F)cc([N+](=O)[O-])cc1F	50888594	BLZPGURBRHOGGM-SCSAIBSYSA-N	231.154	2.061	5	40	BEBB	
COc1ccc([N+](=O)[O-])c(/C=C/N(C)C)c1	60004895	UXXFAOADJACLLR-VOTSOKGWSA-N	222.244	2.136	5	40	BEBB	
C[N+]1([C@H]2CC[C@@H]3CC[C@@H]2[C@@H]3O)CCCCC1	100549636	YLUJMEVKOOGTDN-XDQVBPFNSA-N	224.368	2.166	5	40	BEBB	
O=[N+]([O-])c1ccc(CNCc2cccnc2)cc1	57362376	WMDDJXADTDUZJA-UHFFFAOYSA-N	243.266	2.280	5	40	BEBB	
O=[N+]([O-])c1ccc(N2CCCCC2)cc1O	19851475	DDKAQSBPHIORAR-UHFFFAOYSA-N	222.244	2.291	5	40	BEBB	
COc1c(Cl)ccc([N+](=O)[O-])c1[N+](=O)[O-]	73634718	BOUQGDWBZVBGPL-UHFFFAOYSA-N	232.579	2.165	5	40	BEBB	
CCOc1ccc([N+](=O)[O-])cc1/C=C/C(=O)O	5953706	UMXNLKBDMNEXIT-ZZXKWVIFSA-N	237.211	2.091	5	40	BEBB	
CCOC(=N)Cc1ccc([N+](=O)[O-])cc1	39257763	XORSRRAYPWNEDR-UHFFFAOYSA-N	208.217	2.151	5	40	BEBB	
Cc1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O	69661967	IATIWPXEHDQWFA-UHFFFAOYSA-N	244.250	2.113	5	40	BEBB	
COc1cc(Cl)c([N+](=O)[O-])cc1C(C)=O	214728135	MLOJUSFSLLUESB-UHFFFAOYSA-N	229.619	2.459	5	40	BEBB	
Cc1cc([N+](=O)[O-])ccc1-c1cc(N)on1	44747818	WXDXNCWPORKAIU-UHFFFAOYSA-N	219.200	2.140	5	40	BEBB	
O=C(O)C1(c2ccccc2[N+](=O)[O-])CCC1	95760870	QHVGCSMSRCZUDC-UHFFFAOYSA-N	221.212	2.101	5	40	BEBB	
CC[C@H](C)NC(=O)c1cccc(C)c1[N+](=O)[O-]	6394624	GACKSXXLXANRQH-VIFPVBQESA-N	236.271	2.432	5	40	BEBB	
CC(=O)Nc1cc([N+](=O)[O-])c2occc2c1	36559214	MQVMQVWJQMICKH-UHFFFAOYSA-N	220.184	2.299	5	40	BEBB	
CC(C)(C)SCCn1cnc([N+](=O)[O-])c1	282651808	MPWREETYRJPGFC-UHFFFAOYSA-N	229.305	2.323	5	40	BEBB	
O=C1CCCC[C@H]1[C@@H](C[N+](=O)[O-])C(F)(F)F	43464393	OIKQDKNGGZIECX-NKWVEPMBSA-N	239.193	2.201	5	40	BEBB	
O=[N+]([O-])c1cnc2nc(Cl)sc2c1	79052164	ZAWXFDQGLNLZGS-UHFFFAOYSA-N	215.621	2.253	5	40	BEBB	
O=[N+]([O-])c1c(Cl)ncnc1N1CCCCC1	4243344	DUUANYMIZRXPBG-UHFFFAOYSA-N	242.666	2.029	5	40	BEBB	
COC(=O)c1ccc([N+](=O)[O-])c(C(F)F)c1	1857793808	ZXIWKBZCBGKPNU-UHFFFAOYSA-N	231.154	2.319	5	40	BEBB	
O=[N+]([O-])c1ccc(Cl)c(C2N3CCCN23)c1	19168729	CYGARIZDSGCDTF-UHFFFAOYSA-N	239.662	2.183	5	40	BEBB	
O=[N+]([O-])c1c(O)ccc2nc3ccccc3nc12	76495064	BZPWVQADSFFZHX-UHFFFAOYSA-N	241.206	2.397	5	40	BEBB	
CCOC(=O)C[C@]1(C[N+](=O)[O-])CC[C@@H](C)C1	95347581	RWQOCDVVKSXCMT-KOLCDFICSA-N	229.276	2.023	5	40	BEBB	in-vitro
NCCCCNc1ccc([N+](=O)[O-])cc1Cl	5344246	LCHVEXLDHGDWKD-UHFFFAOYSA-N	243.694	2.399	5	40	BEBB	
CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1	5500978	CYKKRGKGKZPLDK-UHFFFAOYSA-N	212.180	2.082	5	40	BEBB	
O=[N+]([O-])c1ccc(CC2CCNCC2)cc1	19726804	AVWJNEWPWOHGRY-UHFFFAOYSA-N	220.272	2.137	5	40	BEBB	in-vitro
O=[N+]([O-])c1c(-c2ccccc2)nc2n1CCC2	26507037	BSMWZFQLHNJWPN-UHFFFAOYSA-N	229.239	2.405	5	40	BEBB	
C[C@H](C(=O)O)c1c(F)cc([N+](=O)[O-])cc1F	50888593	BLZPGURBRHOGGM-BYPYZUCNSA-N	231.154	2.061	5	40	BEBB	
O=[N+]([O-])c1c(C(F)F)n[nH]c1C(F)F	63121433	OVBVROPTVDHBPQ-UHFFFAOYSA-N	213.090	2.193	5	40	BEBB	
CC(C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	12505827	XGVIFLDCYYMICD-UHFFFAOYSA-N	223.232	2.125	5	40	BEBB	in-vitro
C[N+]1([C@H]2CC[C@H]3CCC[C@@H]2[C@@H]3O)CCCC1	4856729	XPLDIPBUNDHFNG-ZOBORPQBSA-N	224.368	2.166	5	40	BEBB	
CCN(C)Cc1c(F)cccc1[N+](=O)[O-]	89960860	FLSSBODPPBCLIR-UHFFFAOYSA-N	212.224	2.186	5	40	BEBB	
O=[N+]([O-])c1cc(CO)ccc1C(F)(F)F	91297491	QHXWKXXIUPYXPZ-UHFFFAOYSA-N	221.134	2.106	5	40	BEBB	
Nc1ccc2[nH]c3ccccc3cc-2c1=O	113047774	PCWATJIJSWMYCI-UHFFFAOYSA-N	210.236	2.215	5	40	BEBB	in-vitro
CCCCOc1ccc(N)c([N+](=O)[O-])c1	4262489	BBELMWNCSCNWAO-UHFFFAOYSA-N	210.233	2.356	5	40	BEBB	
Cn1ccnc1Sc1ccccc1[N+](=O)[O-]	9090809	CGRSQJHPAIOJOD-UHFFFAOYSA-N	235.268	2.480	5	40	BEBB	
Cc1cc([N+](=O)[O-])c2ccc(C=O)nc2c1F	85399783	WSQSAYCSNQOLTK-UHFFFAOYSA-N	234.186	2.403	5	40	BEBB	
Cc1cc(N(C)C)c([N+](=O)[O-])c(Cl)n1	95751934	AGVQKMYYFYALCA-UHFFFAOYSA-N	215.640	2.018	5	40	BEBB	
COc1ccc(Nc2c([N+](=O)[O-])ncn2C)cc1	4587443	IPSAQCNTRFLHCK-UHFFFAOYSA-N	248.242	2.081	5	40	BEBB	
O=Cc1ccc(OCC2CC2)c([N+](=O)[O-])c1	26514777	OGJRCCGGHSWZSS-UHFFFAOYSA-N	221.212	2.196	5	40	BEBB	
C[C@@]1(c2ccccc2)CC[N+](C)(C)CO1	507755	QDSDUFDXEPOVDK-ZDUSSCGKSA-N	206.309	2.356	5	40	BEBB	
NC(=O)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1	37247687	GOSNMFXMAOELGY-UHFFFAOYSA-N	235.026	2.001	5	40	BEBB	
Cc1c(C(=O)NCC(C)C)cccc1[N+](=O)[O-]	5537060	YSQBSYJGEKGTMW-UHFFFAOYSA-N	236.271	2.289	5	40	BEBB	
Cc1cncn1Cc1ccc([N+](=O)[O-])cc1	13281796	ZRLPMTJOLYIVHH-UHFFFAOYSA-N	217.228	2.148	5	40	BEBB	
[O-][n+]1c2ccc(O)cc2nc2ccc(Cl)cc21	104252516	MRKDGWYWVHLCND-UHFFFAOYSA-N	246.653	2.380	5	40	BEBB	
O=[N+]([O-])c1ccc(OCC(F)F)c(F)c1	12397995	KGQYXVZILXZRBL-UHFFFAOYSA-N	221.134	2.378	5	40	BEBB	
Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)nc1	226556	HJBBAOQLJXFKRX-UHFFFAOYSA-N	247.210	2.144	5	40	BEBB	
O=C(O)CCc1c[nH]c2ccc([N+](=O)[O-])cc12	1691595	IFXFDUMTLUZXAA-UHFFFAOYSA-N	234.211	2.093	5	40	BEBB	
CC(C)(C)n1nc(N)c2cc([N+](=O)[O-])ccc21	5179978	WCRMRQYUTQBZMM-UHFFFAOYSA-N	234.259	2.282	5	40	BEBB	
Cc1cnc(OCC(F)(F)F)cc1[N+](=O)[O-]	616567884	RJULHKOGVFFTNU-UHFFFAOYSA-N	236.149	2.239	5	40	BEBB	
CC(C)c1cc(C(=O)O)c(O)c([N+](=O)[O-])c1	35166909	FFVVJQBQTBDLMK-UHFFFAOYSA-N	225.200	2.122	5	40	BEBB	
O=[N+]([O-])c1ccc(N2CC(F)(F)C2)c(F)c1	90557841	JYISOWSIMSVXSV-UHFFFAOYSA-N	232.161	2.189	5	40	BEBB	
O=[N+]([O-])c1ccc2nc(-c3ccccc3)nn2c1	1705756	NYVFPMTVCIZFAY-UHFFFAOYSA-N	240.222	2.305	5	40	BEBB	
O=[N+]([O-])c1cc([N+](=O)[O-])c2onc(Cl)c2c1	1857794914	VEGGXWDVZRMGMW-UHFFFAOYSA-N	243.562	2.298	5	40	BEBB	
Cc1cncc(Br)c1[N+](=O)[O-]	95930497	KUHYGUUDVQBULL-UHFFFAOYSA-N	217.022	2.061	5	40	BEBB	
Cc1ccc(C(=O)O)c([N+](=O)[O-])c1Cl	5542990	MCVLLWSPYPRDBY-UHFFFAOYSA-N	215.592	2.255	5	40	BEBB	
C[C@@H](c1ccccc1)n1ccc([N+](=O)[O-])n1	67799741	APIVRJCVEFESMW-VIFPVBQESA-N	217.228	2.401	5	40	BEBB	
CC(C)(C)CNC(=O)c1cccc([N+](=O)[O-])c1	1609950	HQGPEBOJQLYPHM-UHFFFAOYSA-N	236.271	2.371	5	40	BEBB	
C[C@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-]	4142201	NAHNGRSZAGFPTJ-LURJTMIESA-N	230.651	2.041	5	40	BEBB	
COC(=O)c1c(OC)cc(C)c([N+](=O)[O-])c1C	57339626	CENHBNCARATTMY-UHFFFAOYSA-N	239.227	2.007	5	40	BEBB	
Cc1ccc([N+](=O)[O-])c(-c2cc(N)on2)c1	83842836	NAUQTNXCDKKNCA-UHFFFAOYSA-N	219.200	2.140	5	40	BEBB	
CC(C)Cn1nc(Br)cc1[N+](=O)[O-]	953000028	MWCJXVZTMYJJFN-UHFFFAOYSA-N	248.080	2.210	5	40	BEBB	
Cc1c(-c2cc(N)on2)cccc1[N+](=O)[O-]	1857794380	UOJLTYGHDISGRN-UHFFFAOYSA-N	219.200	2.140	5	40	BEBB	
CCN(CC)C(=O)c1cccc([N+](=O)[O-])c1C	5452921	OXXDASZEJJTRPK-UHFFFAOYSA-N	236.271	2.385	5	40	BEBB	
CCOC(=O)/C(F)=C\c1ccc([N+](=O)[O-])cc1	8653342	SBTMSTNJVHJCKH-JXMROGBWSA-N	239.202	2.468	5	40	BEBB	
CC(C)c1ccc(C(=O)O)cc1[N+](=O)[O-]	39087142	MHMBAGATQNUECC-UHFFFAOYSA-N	209.201	2.416	5	40	BEBB	in-vitro
Cc1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1[N+](=O)[O-]	100170434	ZKPLTLWJBLZUSM-UHFFFAOYSA-N	241.159	2.028	5	40	BEBB	
C[N+]1([C@@H]2CC[C@@H]3CCC[C@@H]2C3=O)CCCC1	100751384	BTKLEOOUQVGGOK-RWMBFGLXSA-N	222.352	2.375	5	40	BEBB	
C[N+]12CCC(CC1)[C@@H](OC(=O)c1ccccc1)C2	550694	SQTGAIQVSVIALX-UGWHAMFMSA-N	246.330	2.082	5	40	BEBB	
O=C(c1ccc([N+](=O)[O-])cc1)C(F)(F)F	100077156	WUCSOOFBCSHTCS-UHFFFAOYSA-N	219.118	2.340	5	40	BEBB	in-vitro
O=[N+]([O-])c1ccc(CO[C@H]2CCCCO2)o1	162101	OHDHWVXJNNVQLR-JTQLQIEISA-N	227.216	2.231	5	40	BEBB	
C[N+]1(C[C@H](O)c2ccccc2)CCCCC1	6519737	IEADNMPFIZOXRF-AWEZNQCLSA-N	220.336	2.351	5	40	BEBB	
O=[N+]([O-])c1ccc(N2CCCO2)c2ncccc12	96502643	RAAVWTLTADSTQD-UHFFFAOYSA-N	245.238	2.285	5	40	BEBB	
CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1	65552062	MCVUOANESFJKPR-GFCCVEGCSA-N	236.271	2.210	5	40	BEBB	
CCc1ccc([N+](=O)[O-])cc1-n1cnc(C)n1	2362803611	PHLZVRQEUFFOST-UHFFFAOYSA-N	232.243	2.046	5	40	BEBB	
Cn1nc(Cl)c2cc([N+](=O)[O-])ccc21	39246634	ULWWRNXXKVIRTP-UHFFFAOYSA-N	211.608	2.135	5	40	BEBB	
CC(C)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	19400583	MHNZLVZHPKIHLO-UHFFFAOYSA-N	225.200	2.080	5	40	BEBB	in-vitro
O=[N+]([O-])c1cc2c(cc1-n1cccc1)OCO2	52537265	PFOJFBQHGFDFLO-UHFFFAOYSA-N	232.195	2.114	5	40	BEBB	
CC[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CCO1	65552064	MCVUOANESFJKPR-LBPRGKRZSA-N	236.271	2.210	5	40	BEBB	
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)N1C	91356222	YFPUDXLNZBCCMI-GHMZBOCLSA-N	249.314	2.124	5	40	BEBB	
Cn1cnc(-c2ccc(Cl)cc2[N+](=O)[O-])n1	2362801710	NXNMQYNGGITPRJ-UHFFFAOYSA-N	238.634	2.044	5	40	BEBB	
C[N+]1([C@@H]2CC[C@H]3CCC[C@@H]2[C@@H]3O)CCCC1	253009	XPLDIPBUNDHFNG-XJFOESAGSA-N	224.368	2.166	5	40	BEBB	
O=[N+]([O-])c1cccnc1Oc1cccnc1	13152221	KVDKJMUQUZICCH-UHFFFAOYSA-N	217.184	2.177	5	40	BEBB	
O=[N+]([O-])c1ccccc1CNC1CCC1	50015666	WMOZJATVANKOOB-UHFFFAOYSA-N	206.245	2.237	5	40	BEBB	
Cc1c(COc2ccc([N+](=O)[O-])cc2)cnn1C	72334143	KAONOTJWYGGXOE-UHFFFAOYSA-N	247.254	2.216	5	40	BEBB	
Cc1ccc(-n2cccc2CO)cc1[N+](=O)[O-]	223738982	BEKPSUWBFZGHRY-UHFFFAOYSA-N	232.239	2.186	5	40	BEBB	
Cc1cc2nc(C)n3c4ccccc4nc3n2n1	535211	MDOVTGYACZMLDF-UHFFFAOYSA-N	237.266	2.147	5	40	BEBB	
O=C(O)C[C@H](C[N+](=O)[O-])c1ccccc1Cl	57534361	LUBMHQFHRJJOJU-SSDOTTSWSA-N	243.646	2.175	5	40	BEBB	
COC(=O)c1cc2c(C)ccc([N+](=O)[O-])c2[nH]1	95830374	LYRMZXFSKCGQAD-UHFFFAOYSA-N	234.211	2.171	5	40	BEBB	
CSc1cccc(C(=O)O)c1[N+](=O)[O-]	95883741	QCGRWQKRLQGPSA-UHFFFAOYSA-N	213.214	2.015	5	40	BEBB	in-vitro
C[N+]1(C[C@@H]2COC3(CCCC3)O2)CCCCC1	185914	WGDWTWWFCVPYJK-CYBMUJFWSA-N	240.367	2.303	5	40	BEBB	
Cc1scc[n+]1Cc1ccccc1[N+](=O)[O-]	1703847	RGVLBGDEQVAKAH-UHFFFAOYSA-N	235.288	2.301	5	40	BEBB	
C[N+](C)(CCO)C12CC3CC(CC(C3)C1)C2	4844090	DGXQUKDQEMJNKG-UHFFFAOYSA-N	224.368	2.024	5	40	BEBB	
CN(C)[C@@H]1[C@@H]([N+](C)(C)C)[C@H]2CC[C@@]1(C)C2(C)C	245240684	RLYOCQKBFBQTAD-QVHKTLOISA-N	239.427	2.448	5	40	BEBB	
CC[C@@H]([C@H](O)c1ccc(Cl)cc1)[N+](=O)[O-]	1672915	UBUNZDNQICLZHE-VHSXEESVSA-N	229.663	2.429	5	40	BEBB	
O=C(Oc1cccc([N+](=O)[O-])c1)c1ccncc1	5635132	LBDLNJPNDCBTRK-UHFFFAOYSA-N	244.206	2.209	5	40	BEBB	
CC(C)(C)OC(=O)Nc1ncccc1[N+](=O)[O-]	38665650	YCPGHKYVWVVVGL-UHFFFAOYSA-N	239.231	2.337	5	40	BEBB	
C[C@@H](O)CNc1cc(Cl)ccc1[N+](=O)[O-]	4142202	NAHNGRSZAGFPTJ-ZCFIWIBFSA-N	230.651	2.041	5	40	BEBB	
CCCOc1n[nH]c2ccc([N+](=O)[O-])cc12	72226531	PJYBSPBJYIIJGH-UHFFFAOYSA-N	221.216	2.260	5	40	BEBB	
CC[C@@H]([C@@H](O)c1ccc(Cl)cc1)[N+](=O)[O-]	1672917	UBUNZDNQICLZHE-UWVGGRQHSA-N	229.663	2.429	5	40	BEBB	
O=c1[nH]c2ccccc2c2nc3ccccc3n12	12495494	FXLMBSXEKAGOTM-UHFFFAOYSA-N	235.246	2.329	5	40	BEBB	
O=[N+]([O-])c1cccnc1OCC1CCC1	42750112	IZGBFASYAQYMJW-UHFFFAOYSA-N	208.217	2.169	5	40	BEBB	
O=[N+]([O-])c1ccccc1[C@@H](O)c1cccnc1	90225687	ILBZRJIMVDYIQQ-LBPRGKRZSA-N	230.223	2.072	5	40	BEBB	in-vitro
COc1ccc(C(C)=O)cc1C[N+](C)(C)C	520248	MAPQGBJPNLGRQF-UHFFFAOYSA-N	222.308	2.104	5	40	BEBB	
O=C(CCN1CCCC1)c1ccc([N+](=O)[O-])cc1	1718682	JQALEHUXWPLHJW-UHFFFAOYSA-N	248.282	2.263	5	40	BEBB	
CCCOc1c(C=O)cc(OC)cc1[N+](=O)[O-]	225273975	OINCEQIFKAEBRI-UHFFFAOYSA-N	239.227	2.205	5	40	BEBB	
CC(C)CNc1ccc(C(=O)O)cc1[N+](=O)[O-]	3913765	DJQWTRGDTHEWOP-UHFFFAOYSA-N	238.243	2.361	5	40	BEBB	
O=Cc1cc([N+](=O)[O-])c(Br)s1	34499880	TWTNTCADPSCOHX-UHFFFAOYSA-N	236.046	2.231	5	40	BEBB	
CCOc1cc([N+](=O)[O-])cc2sc(N)nc12	73638444	MXGBOTWNTXPACG-UHFFFAOYSA-N	239.256	2.185	5	40	BEBB	
Cc1ccc(NC(=O)C(F)(F)F)cc1[N+](=O)[O-]	253689	YWYUESXZXYADAG-UHFFFAOYSA-N	248.160	2.404	5	40	BEBB	
COC[C@H]1Cc2cc3c(c([N+](=O)[O-])c2C1)CCC3	2113474310	VWSLCEIZIAEYDX-VIFPVBQESA-N	247.294	2.445	5	40	BEBB	
O=[N+]([O-])c1cccc(-c2cn3cccnc3n2)c1	1386148	ANQVNBDLIKNGOQ-UHFFFAOYSA-N	240.222	2.305	5	40	BEBB	
C[C@H]1CCCN(C(=O)c2ccc([N+](=O)[O-])cc2)C1	5533625	KOGIRDSTNGPWMG-JTQLQIEISA-N	248.282	2.467	5	40	BEBB	
Cc1ccc([N+](=O)[O-])cc1-c1cc(N)on1	41031492	QKTOVUTXAQGUQR-UHFFFAOYSA-N	219.200	2.140	5	40	BEBB	
O=[N+]([O-])c1c(F)cccc1OC[C@@H]1CCCO1	54268919	QTJAYXIQDJSCLT-QMMMGPOBSA-N	241.218	2.292	5	40	BEBB	
Cc1cnn(CCOc2cccc([N+](=O)[O-])c2)c1	97082536	OMWAHESEMTVYJX-UHFFFAOYSA-N	247.254	2.179	5	40	BEBB	
COc1cc([N+](=O)[O-])cc(Br)c1O	116172845	ZVPTYZWBPLCFSO-UHFFFAOYSA-N	248.032	2.072	5	40	BEBB	
CCc1cc([N+](=O)[O-])cc(C)c1NC(C)=O	45888163	ZJSAFNHJVWIIHO-UHFFFAOYSA-N	222.244	2.424	5	40	BEBB	
O=c1cc(O)c2c(ccc3ccccc32)[nH]1	8615448	MIYNYVVTPYZTTA-UHFFFAOYSA-N	211.220	2.387	5	40	BEBB	
O=[N+]([O-])c1cccnc1-c1ccccn1	36377977	WXKMAKAMUFSVLI-UHFFFAOYSA-N	201.185	2.052	5	40	BEBB	
Nc1cc(F)c(C(F)(F)F)cc1[N+](=O)[O-]	39170156	UTRVMCDXCUQEEJ-UHFFFAOYSA-N	224.113	2.335	5	40	BEBB	in-vitro
Cc1cnoc1-c1ccc(O)c([N+](=O)[O-])c1	85393636	FZVDXDXGUMGDOO-UHFFFAOYSA-N	220.184	2.264	5	40	BEBB	
O=[N+]([O-])[C@@H](F)Cc1ccc(Cl)cc1	306145889	UTKZPJCKTVUSGH-MRVPVSSYSA-N	203.600	2.455	5	40	BEBB	
CC[C@@H](C)Nc1nn(CC)cc1[N+](=O)[O-]	95098523	KXSBNBFVCKCIRJ-SSDOTTSWSA-N	212.253	2.022	5	40	BEBB	
Cc1n[nH]c(=O)c2cc3oc4ccccc4c3n12	1589428	XETMUEDGNYIKPB-UHFFFAOYSA-N	239.234	2.230	5	40	BEBB	
COC(=O)c1cc([N+](=O)[O-])ccc1NC(C)C	43827551	LQCMEDRULJWVFO-UHFFFAOYSA-N	238.243	2.202	5	40	BEBB	
CC/C=C/CCn1cc([N+](=O)[O-])c(C)cc1=O	186259115	VNRNHWOXIFIAOJ-SNAWJCMRSA-N	236.271	2.421	5	40	BEBB	
O=C(c1ccc([N+](=O)[O-])cc1)c1ccco1	4543051	XDXAWSNVLFTMEZ-UHFFFAOYSA-N	217.180	2.419	5	40	BEBB	
CCCCNC(=O)c1cccc(C)c1[N+](=O)[O-]	6310587	YVWTYVHTVDPGBB-UHFFFAOYSA-N	236.271	2.433	5	40	BEBB	
[C-]#[N+]c1cc(OC)c([N+](=O)[O-])cc1OC	95851710	OWSDYZPGAWTVIH-UHFFFAOYSA-N	208.173	2.163	5	40	BEBB	
Cc1cnc(Nc2c[nH]nc2C)c([N+](=O)[O-])c1	96429831	SVXFAIZZWVIPBM-UHFFFAOYSA-N	233.231	2.073	5	40	BEBB	
CC(C)Oc1cc2c(cc1[N+](=O)[O-])OCO2	217725193	UIKOXRXHLHQXJY-UHFFFAOYSA-N	225.200	2.111	5	40	BEBB	
CCCNc1ccc([N+](=O)[O-])cc1C(=O)O	19844544	KLNXLEVIRVYFOT-UHFFFAOYSA-N	224.216	2.115	5	40	BEBB	
CCOC(=O)c1cc(F)cc([N+](=O)[O-])c1F	35333399	WRYSDPSFQVAXCM-UHFFFAOYSA-N	231.154	2.050	5	40	BEBB	
C[C@H]1C/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O1	17354641	FIPKCEKPLFDUTJ-VKHJRQFRSA-N	233.223	2.314	5	40	BEBB	
CCCOc1ccc([N+](=O)[O-])c(NC(C)=O)c1	22002102	MPWBJJGYQAFDNT-UHFFFAOYSA-N	238.243	2.342	5	40	BEBB	
O=[N+]([O-])c1ccccc1OC[C@H]1CCOC1	70013376	PIVJRWPMJGIUKB-VIFPVBQESA-N	223.228	2.010	5	40	BEBB	
CCn1nccc1COc1ccccc1[N+](=O)[O-]	72209523	BHOIUVNQEKPVEP-UHFFFAOYSA-N	247.254	2.390	5	40	BEBB	
CCC(=O)NCCCC[C@@H]1CCCC[N+]1(C)C	1646536	SVXMMCMDUYTGFU-CYBMUJFWSA-O	241.399	2.312	5	40	BEBB	
NC(=S)c1ccc(-c2ccccc2[N+](=O)[O-])o1	49836103	WHTSRVHJZOVKLI-UHFFFAOYSA-N	248.263	2.489	5	40	BEBB	
C[C@@H]1Sc2ccc([N+](=O)[O-])cc2NC1=O	95644350	BKCNCIQMFHFQGI-YFKPBYRVSA-N	224.241	2.028	5	40	BEBB	
C[C@H]1CCCN(C(=O)c2cccc([N+](=O)[O-])c2)C1	2741766	FODWPAJNDQBOLX-JTQLQIEISA-N	248.282	2.467	5	40	BEBB	
C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)O	3327263	ACSMBGHECSLDPA-ZCFIWIBFSA-N	227.241	2.160	5	40	BEBB	in-vitro
Nc1ccc([C@H](O)c2ccccc2)cc1[N+](=O)[O-]	21951247	GBDIHFMPEGTCBK-CYBMUJFWSA-N	244.250	2.259	5	40	BEBB	in-vitro
C[C@H]1C/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)O1	1751726	FIPKCEKPLFDUTJ-LRUQUBRESA-N	233.223	2.314	5	40	BEBB	
Cn1c2ccccc2c(=O)c2c(O)cc(O)cc21	5161554	GDALETGZDYOOGB-UHFFFAOYSA-N	241.246	2.103	5	40	BEBB	biogenic,in-vitro
O=[N+]([O-])c1ccccc1[C@@H](O)Cc1ccccn1	15865882	UVXFYWFBIYUTGZ-ZDUSSCGKSA-N	244.250	2.266	5	40	BEBB	
Cc1cc([N+](=O)[O-])c(Cl)cc1C(=O)O	95835599	DBONDNSCEDDWDL-UHFFFAOYSA-N	215.592	2.255	5	40	BEBB	in-vitro
Cc1nn(C(C)C)c2ncc([N+](=O)[O-])cc12	12396160	FOEJCOYOXRZYDO-UHFFFAOYSA-N	220.232	2.229	5	40	BEBB	
CNCc1nc(-c2cccc([N+](=O)[O-])c2)c(C)[nH]1	36877208	IINAFRPXRRVLDN-UHFFFAOYSA-N	246.270	2.013	5	40	BEBB	
C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)C1CC1	44345872	LCLHRJYTGFVQAX-LURJTMIESA-N	240.284	2.185	5	40	BEBB	
O=C1CCC[C@@H]1c1ccc([N+](=O)[O-])cc1	169800177	CNTWWEYDXOXZDB-SNVBAGLBSA-N	205.213	2.431	5	40	BEBB	
Cc1noc(/C=C\c2ccc[nH]2)c1[N+](=O)[O-]	4811214	JBLGCZUINOGJHB-PLNGDYQASA-N	219.200	2.390	5	40	BEBB	
O=[N+]([O-])CCc1c(O)ccc2ccccc12	96031824	KPBFKBMFARSVIH-UHFFFAOYSA-N	217.224	2.365	5	40	BEBB	in-vitro
Cc1ccc([N+](=O)[O-])c(OCc2noc(C)n2)c1	30508969	QQXJRLQFXZWIQD-UHFFFAOYSA-N	249.226	2.174	5	40	BEBB	
CC(=O)Nc1nc(C(C)(C)C)c([N+](=O)[O-])s1	5663723	LIUSMXCGBQJICW-UHFFFAOYSA-N	243.288	2.307	5	40	BEBB	
O=[N+]([O-])c1ccc(Nc2cnns2)cc1	6276595	QSKHUUROOGBPBB-UHFFFAOYSA-N	222.229	2.190	5	40	BEBB	
Cc1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	347896	CLRMRWORHCRNLO-UHFFFAOYSA-N	229.259	2.239	5	40	BEBB	
O=[N+]([O-])c1c(NCC2CC2)nc2sccn12	22157627	FRMWLIBRIWMUCH-UHFFFAOYSA-N	238.272	2.126	5	40	BEBB	
Cc1cc([N+](=O)[O-])c2nc(N)sc2c1	5042461	RCBABQGURHXXTH-UHFFFAOYSA-N	209.230	2.095	5	40	BEBB	in-vitro
O=[N+]([O-])Cc1cccc(Br)c1	84915940	YYJPIUFWOYEUMV-UHFFFAOYSA-N	216.034	2.226	5	40	BEBB	
CN(C)c1ccc2cc([N+](=O)[O-])ccc2n1	95348116	DBNZYROHZKZEIK-UHFFFAOYSA-N	217.228	2.209	5	40	BEBB	
Cc1c(/C=C/c2ccc([N+](=O)[O-])cn2)cnn1C	97021610	KKQHAKXRRHRHRI-ONEGZZNKSA-N	244.254	2.202	5	40	BEBB	
CCOC(=O)c1ccc(OCC)c([N+](=O)[O-])c1	25336343	OFGXEABLPOGFPA-UHFFFAOYSA-N	239.227	2.170	5	40	BEBB	
C[C@H](c1ccccc1)n1ccc([N+](=O)[O-])n1	67799743	APIVRJCVEFESMW-SECBINFHSA-N	217.228	2.401	5	40	BEBB	
Cc1cnn(Cc2ccccc2[N+](=O)[O-])c1	96428953	HZACKWZUPLEWHW-UHFFFAOYSA-N	217.228	2.148	5	40	BEBB	
CC(C)C(=O)Nc1ccccc1[N+](=O)[O-]	4429475	OBFKXTLYUKUWKH-UHFFFAOYSA-N	208.217	2.189	5	40	BEBB	
CN1C(=O)CC(C)(C)c2cc([N+](=O)[O-])ccc21	98181503	UOVNZZNSWCUTTL-UHFFFAOYSA-N	234.255	2.239	5	40	BEBB	in-vitro
Cc1ccc2c([N+](=O)[O-])cc([N+](=O)[O-])c(O)c2n1	28712992	ADHKESAPGWSTIF-UHFFFAOYSA-N	249.182	2.065	5	40	BEBB	
COc1cc(/C=C/[N+](=O)[O-])c2c(c1)CCCO2	4136050	XJEDKUDCOCOTSY-SNAWJCMRSA-N	235.239	2.268	5	40	BEBB	
C[C@@H]1C[N+](C)(C)[C@H](C)C[C@]1(O)c1ccccc1	4729905	RDGIXPIEDMFNBB-UMVBOHGHSA-N	234.363	2.379	5	40	BEBB	
O=C1c2c(cc3c(c2[N+](=O)[O-])CCC3)C[C@@H]1F	2049305479	YFQDXHODXTURHY-VIFPVBQESA-N	235.214	2.160	5	40	BEBB	
COc1c([N+](=O)[O-])cc(Cl)cc1[N+](=O)[O-]	1672521	RJKDSQQOZYXNMJ-UHFFFAOYSA-N	232.579	2.165	5	40	BEBB