smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cn(-c3ccc(OC(F)(F)F)cc3)nn1)C2	45245587	SZSAXYJHYNGXBR-ZDUSSCGKSA-N	426.311	2.248	5	1	IEBF	
CC1=C(C(N)=O)[C@@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1	13782503	QWRDGJNWAMEFDT-OAQYLSRUSA-N	441.532	2.307	5	1	IEBF	
CC(=O)NCCNC(=O)c1cnc(NCc2ccc(C)o2)nc1-c1cccc([N+](=O)[O-])c1	82135921	DBSCPWGLLDNUNL-UHFFFAOYSA-N	438.444	2.431	5	1	IEBF	
COC(=O)CN1CCC(n2c(=O)cnc3cnc4ccc(-c5ccc(N)nc5)cc4c32)CC1	1772620816	GJOIRBLQYFMCGM-UHFFFAOYSA-N	444.495	2.399	5	1	IEBF	
O=C(NC[C@H]1CC[C@H]2[C@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1	95866977	PYMRECNIFNWJGI-RYRKJORJSA-N	446.485	2.337	5	1	IEBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(F)c(Br)c2[nH]1	587274091	YNJMVJZRRKCVSN-KBPBESRZSA-N	439.197	2.406	5	1	IEBF	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1C[C@@H]2CCCN3CCC[C@@H]([C@H]23)[C@H]1/C=C\CCO	299851696	IQPLHCXMZYVXCX-UUFPAMKDSA-N	435.546	2.397	5	1	IEBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587265720	HEDABQWKDRPAIM-FVMDXXJSSA-N	435.418	2.317	5	1	IEBF	
COC(=O)[C@]1([C@@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O	473126411	SSDLHBSHMPPCEQ-RYSNXRDVSA-N	438.480	2.271	5	1	IEBF	
CN(CC(=O)NCCCN1CCCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1	82085738	FLDUXQSGZPZIBA-UHFFFAOYSA-N	431.518	2.392	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@@]4(O)C[N@@+](C)(CF)CCO4)cc3)cc2)C1	253676292	ODXWPFAJOKGMHJ-XFAFFCHDSA-N	432.536	2.154	5	1	IEBF	
Cc1nc([N+](=O)[O-])cn1C[C@H](O)CSC(=S)N1CCN(C(=O)OC(C)(C)C)CC1	1772623032	SVHSUNHZXDLZEU-ZDUSSCGKSA-N	445.567	2.031	5	1	IEBF	
O=c1[nH]c(=O)n(COCCO)c2c1[C@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2	13741659	USIOQWPEAUAXIY-KRWDZBQOSA-N	442.453	2.077	5	1	IEBF	
O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054938	LPXURTHJPNJZGE-FUHWJXTLSA-N	433.804	2.177	5	1	IEBF	
CN(Cc1ccccc1)C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602644	FPHOQYXEXAKCGG-UHFFFAOYSA-N	433.486	2.167	5	1	IEBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3	587265073	CENGULITOCGRRC-RBHXEPJQSA-N	428.361	2.244	5	1	IEBF	
COc1c(CC(=O)O)c(CC(=O)O)c(OC)n1-c1cccc(Br)c1[N+](=O)[O-]	587937767	XSJSBLGEEVPNQR-UHFFFAOYSA-N	443.206	2.419	5	1	IEBF	
O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205886	FUGHVZYOCKPTFO-SJLPKXTDSA-N	433.804	2.177	5	1	IEBF	
CC(C)N(C(=O)C1CCN(C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1)C(C)C	95603611	GWEOERHVBOXBKF-UHFFFAOYSA-N	439.534	2.496	5	1	IEBF	
CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82134537	MOKZNUTXMGPUOE-HNNXBMFYSA-N	426.477	2.283	5	1	IEBF	
Cc1cc2[nH]c(Cn3cc(I)c(C(=O)O)n3)nc2cc1[N+](=O)[O-]	587186466	XNPWUGGQGHVNQT-UHFFFAOYSA-N	427.158	2.327	5	1	IEBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3	587265069	CENGULITOCGRRC-CQLKUDPESA-N	428.361	2.244	5	1	IEBF	
N[C@@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O	587220964	OYQHUXCXTRKCOY-DLBZAZTESA-N	434.452	2.173	5	1	IEBF	
O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C(=O)N2CCNCC2)C1	82081434	FQLLHJOCQRNRHU-AWEZNQCLSA-N	429.502	2.002	5	1	IEBF	
CN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(O)c3cc([N+](=O)[O-])ccc3nc12	13652294	ATXBBSDCCRGIDB-UHFFFAOYSA-N	440.504	2.267	5	1	IEBF	
COc1cc(OC)c2c(=O)c3cc(N)c(N4CCN(c5ncccn5)CC4)cc3n(C)c2c1	40951536	JISRNHGAFNGJLU-UHFFFAOYSA-N	446.511	2.408	5	1	IEBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587262225	GLLWIGWWZPIRGG-SNVBAGLBSA-N	434.430	2.470	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C[18F])CCO4)cc3)cc2)C1	101420020	ODXWPFAJOKGMHJ-MDSJKIHVSA-N	431.539	2.154	5	1	IEBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C(C)C)cc1	586936028	GTIMQMFQFMXIOX-QGZVFWFLSA-N	446.489	2.178	5	1	IEBF	
CCCCn1c(=O)c2c(ncn2S(=O)(=O)c2cccc([N+](=O)[O-])c2)n(CCCC)c1=O	28233276	PLKQOVPUGHYTLF-UHFFFAOYSA-N	449.489	2.105	5	1	IEBF	
O=C(NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)Nc1ccc(OC(F)(F)F)cc1	27553831	ZMQOMEQMJDTFNC-UHFFFAOYSA-N	439.306	2.345	5	1	IEBF	
COC(=O)N1c2ccccc2[C@@]23CC[N+]4([O-])CCC[C@]5(CC[C@]12[C@](O)(C(=O)OC)C5)[C@@H]34	238776259	XVNMIIYPINSVIW-UTVZAVLMSA-N	428.485	2.218	5	1	IEBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccccc3Cl)CC2)s1	40919020	BGGUMINSJKHHGN-UHFFFAOYSA-N	433.881	2.463	5	1	IEBF	
CCS(=O)(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587272351	NOSLZYSLOYVKLW-HNNXBMFYSA-N	431.474	2.163	5	1	IEBF	
CCC(CC)O[C@@H]1C=C(C(=O)O)C[C@H](Nc2nc(OC)ccc2[N+](=O)[O-])[C@H]1NC(C)=O	1857572019	TZIDYCIRFUVZBW-YXJHDRRASA-N	436.465	2.272	5	1	IEBF	
CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)OCCOC)[C@H]1c1cccc([N+](=O)[O-])c1	1772627618	CKRGPBMTWHQHKP-SFHVURJKSA-N	435.433	2.078	5	1	IEBF	
COc1cc(-c2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c(OC)c([N+](=O)[O-])c1	587260754	CHIXDOAJYPGMIK-UHFFFAOYSA-N	448.457	2.176	5	1	IEBF	
COc1cc(O)c2c(=O)cc(C(=O)N3CCN(Cc4ccc([N+](=O)[O-])cc4)CC3)oc2c1	653795137	LGBWAUIWHROVPX-UHFFFAOYSA-N	439.424	2.373	5	1	IEBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1	587264016	QDCDHIUAEGIYLL-SNVBAGLBSA-N	434.430	2.470	5	1	IEBF	
CN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC12CC2	1857768774	ZJDUQKPBAGGECL-INIZCTEOSA-N	428.474	2.156	5	1	IEBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O	299829185	UBRHQGXNJNYDTP-RIYNODKNSA-N	425.393	2.336	5	1	IEBF	
CC1=C(c2ccc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)NNC(=O)C1	587271629	HYRRMAMJOACLFA-INIZCTEOSA-N	449.471	2.125	5	1	IEBF	
O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1	95866667	PYMRECNIFNWJGI-LZLYRXPVSA-N	446.485	2.337	5	1	IEBF	
Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1cc([N+](=O)[O-])ccc1O)C1=C(O)c3ccccc3C1=N2	104001808	KYTUORHZOINXCC-HNNXBMFYSA-N	432.392	2.247	5	1	IEBF	
CS(=O)(=O)NC(=O)c1cccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)c1	621476445	YOVMLBFLGZEGOZ-UHFFFAOYSA-N	439.405	2.238	5	1	IEBF	
Cc1cccc2cc([C@H]3SCC(=O)N3NC(=O)c3ccc([N+](=O)[O-])cc3)c3nnnn3c12	1772575403	VEASHDLGSRUQEQ-HXUWFJFHSA-N	449.452	2.413	5	1	IEBF	
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CN(C(CO)CO)C3	28761950	CSLGBKIUJJGMCJ-UHFFFAOYSA-N	440.459	2.370	5	1	IEBF	
C[C@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602468	NBQGWRXADUZSSE-ZDUSSCGKSA-N	431.470	2.096	5	1	IEBF	
C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1	82083205	POVWXHZMEGUGAW-CQSZACIVSA-N	431.518	2.439	5	1	IEBF	
O=C(NC[C@@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CCCCC1	95869358	MNZRMUQVORKGCX-LZLYRXPVSA-N	437.518	2.212	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21	299823348	UURHLTVSXPOJGT-JTQLQIEISA-N	441.227	2.481	5	1	IEBF	
Cc1ccc2c(c1)cc([C@H]1SCC(=O)N1NC(=O)c1ccc([N+](=O)[O-])cc1)c1nnnn12	1772571947	KPOZTLALPNEHOA-HXUWFJFHSA-N	449.452	2.413	5	1	IEBF	
C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)[C@@H]1[C@@H](O)C=C1C(=O)OC[C@]12O	2356864957	SXOSXJVAEAFKDC-RNPPMORTSA-N	431.441	2.153	5	1	IEBF	
Cc1ncc(Cn2cc(CSc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)nn2)c(N)n1	653730847	LEQMVKUCZKDJST-UHFFFAOYSA-N	425.434	2.258	5	1	IEBF	
NS(=O)(=O)c1ccc2nc(-n3cc(C(=O)O)c(-c4ccc([N+](=O)[O-])cc4)n3)sc2c1	299837339	OJDFHJWIWFJZGZ-UHFFFAOYSA-N	445.438	2.403	5	1	IEBF	
COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CN1CCOCC1)CC2	35034017	OKXGBATUMBFANT-HSZRJFAPSA-N	441.484	2.418	5	1	IEBF	
O=C([C@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	201443107	IMXFGIVXPLFMBC-LJQANCHMSA-N	444.513	2.097	5	3	IEBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149606	BCMWTJJJASWURK-INIZCTEOSA-N	438.488	2.380	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3cnc(C(F)(F)F)[nH]c-3n2)cc1[N+](=O)[O-]	586942017	ZNYOFYXNHVDNQL-UHFFFAOYSA-N	448.408	2.432	5	1	IEBF	
O=C(NCCNCCO)c1ccc2c3c1nc1ccccc1c3[nH]n2CCN1CCCCC1	26989140	DNHBVOJCWMPPOV-UHFFFAOYSA-N	448.571	2.468	5	1	IEBF	
COc1cc(N)c(Cl)cc1C(=O)NC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1	27704496	WUOOFQMSVMOHJL-OAHLLOKOSA-N	434.880	2.470	5	1	IEBF	
Cc1nc([N+](=O)[O-])cn1C[C@@H](O)CSC(=S)N1CCN(C(=O)OC(C)(C)C)CC1	1772623031	SVHSUNHZXDLZEU-CYBMUJFWSA-N	445.567	2.031	5	1	IEBF	
O=C1NC(=O)N(c2ccccc2)C(=O)[C@H]1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	1772575919	BOHZMNVSLFVZLB-ZDUSSCGKSA-N	425.382	2.042	5	1	IEBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4205900	PLVZGOXNWTXKOY-IEBWSBKVSA-N	449.847	2.466	5	1	IEBF	
CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCNCC1	82082256	YGDXBTFFIPJKDS-KRWDZBQOSA-N	431.518	2.295	5	1	IEBF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82136006	YROBHQOAYDACLX-GASCZTMLSA-N	440.504	2.400	5	1	IEBF	
C[C@H]1Cc2ccccc2N1C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602146	APLQVCRIHFLBPX-AWEZNQCLSA-N	445.497	2.486	5	1	IEBF	
CC(=O)c1ccc(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)c(C)c1O	169337598	ZLCBDNBMEORBPN-LBPRGKRZSA-N	445.380	2.442	5	1	IEBF	
O=C1O[C@](CO)(COC(=O)c2ccc([N+](=O)[O-])cc2)C/C1=C\c1ccc([N+](=O)[O-])cc1	42888564	CTDIJZYVAGFCLC-YWMGUWEJSA-N	428.353	2.421	5	1	IEBF	
Cn1nc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c(I)c1C(=O)O	587179570	BQJVYMXDRHHQBE-UHFFFAOYSA-N	431.121	2.314	5	1	IEBF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586940235	XVCOSCKDMDLCJA-SSDOTTSWSA-N	429.256	2.007	5	1	IEBF	
O=C(c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1O[C@@H]2C=C[C@H]1C2	61943171	BQCCRLZFPAUVAT-WCQYABFASA-N	446.397	2.388	5	3	IEBF	
CCOC(=O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O	299821383	LMXHGMBLBPTLEY-SNVBAGLBSA-N	438.799	2.137	5	1	IEBF	
CC(=O)NCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2cccc([N+](=O)[O-])c2)n1	82135839	PUNXJKQHKYFJLF-UHFFFAOYSA-N	426.477	2.472	5	1	IEBF	
O=C([C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1	4051354	AYZIAQYFOIVGSD-UYAOXDASSA-N	425.397	2.274	5	1	IEBF	
COc1cc(C2=NN(C(N)=S)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1OCC(=O)O	28713513	VBBBGRHNOSLDLS-OAHLLOKOSA-N	430.442	2.462	5	1	IEBF	
COc1cc(C2=NN(C(N)=S)[C@H](c3ccc([N+](=O)[O-])cc3)C2)ccc1OCC(=O)O	28713514	VBBBGRHNOSLDLS-HNNXBMFYSA-N	430.442	2.462	5	1	IEBF	
O=C1N[C@H](CN2CCN(c3ccccc3)CC2)[C@@H](COC(=O)c2ccc([N+](=O)[O-])cc2)O1	72106439	FJZIGQLRLCODPA-WOJBJXKFSA-N	440.456	2.051	5	1	IEBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Br)c(F)c2[nH]1	587272156	KZUMKFHDBUJHRY-KBPBESRZSA-N	439.197	2.406	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCN(C(=O)OC(C)(C)C)CC1	1772580092	XHFVISDCPYIRQR-ZDUSSCGKSA-N	445.567	2.031	5	1	IEBF	
O=C(C[C@@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-]	40913590	VWCNMIPBFKVPLE-GBRDNMKLSA-N	437.437	2.139	5	1	IEBF	
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1cccc([N+](=O)[O-])c1	64527638	XWKVMAJFOFFXML-GOSISDBHSA-N	442.413	2.158	5	1	IEBF	
CC[C@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049056	PUJIBYVKIORYGB-VIZZQPHQSA-N	427.413	2.302	5	1	IEBF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135644	ZCMQCODKAOVYLV-UHFFFAOYSA-N	438.488	2.346	5	1	IEBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1	587117792	LLCAQFVMHILSMW-UHFFFAOYSA-N	432.384	2.293	5	1	IEBF	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3cccc([N+](=O)[O-])c3[nH]2)cc1	586940462	SKSMOKAQJHKPHM-KRWDZBQOSA-N	443.485	2.422	5	1	IEBF	
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1	1857612522	XDJYHTKWIYCAIT-UHFFFAOYSA-N	440.481	2.219	5	1	IEBF	
COc1cc(C2=NN(C(N)=S)[C@H](c3cccc([N+](=O)[O-])c3)C2)ccc1OCC(=O)O	28713530	MCXJUCXYAPOTLA-HNNXBMFYSA-N	430.442	2.462	5	1	IEBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)cc1N1CCOCC1)C2	72180366	JGHSRSTTXIOUBQ-ZDUSSCGKSA-N	443.382	2.077	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc4nc(O)[nH]c4cc3[nH]2)cc1[N+](=O)[O-]	586940654	BPRHJHUEGAPZMQ-UHFFFAOYSA-N	434.459	2.253	5	1	IEBF	
COc1cc([C@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4205904	PLVZGOXNWTXKOY-PKOBYXMFSA-N	449.847	2.466	5	1	IEBF	
CCOC(=O)C1=C(C)NC(COC(C)=O)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1	39632358	ZMPJLUJGNJLQPX-GOSISDBHSA-N	432.429	2.499	5	1	IEBF	
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1[N+](=O)[O-]	13758478	LYQUGAHOKASXJK-UHFFFAOYSA-N	425.397	2.132	5	1	IEBF	
O=C1C(=O)N(Cc2ccccc2[N+](=O)[O-])c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21	103298999	ABCKZNSVBLCRMS-AWEZNQCLSA-N	447.444	2.447	5	1	IEBF	
COc1cc(CN=c2nn[nH][nH]2)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	473151294	PGHJIUFLOFWJIS-UHFFFAOYSA-N	435.784	2.291	5	1	IEBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1	587265754	WWYGNKUVVPXIPC-UPONEAKYSA-N	438.198	2.417	5	1	IEBF	
CCN1C(N2CCN(Cc3ccc([N+](=O)[O-])s3)CC2)=NS(=O)(=O)c2ccccc21	64409752	BNVVBQPJDSXVHY-UHFFFAOYSA-N	435.531	2.359	5	1	IEBF	
COc1ccc([C@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1	64527601	ZFBMCYCIMNCHEE-LJQANCHMSA-N	427.442	2.259	5	1	IEBF	
C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCCC1	82083461	OQUHVROYFGTRNY-AWEZNQCLSA-N	431.518	2.439	5	1	IEBF	
O=C([C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCCNCC1	82085379	HRGPYTSMARYFBK-KRWDZBQOSA-N	429.502	2.145	5	1	IEBF	
CC(=O)NCCNc1ncc(C(=O)N2CCC(C)CC2)c(-c2ccc([N+](=O)[O-])cc2)n1	82150020	YWHFDGOFKQAUNA-UHFFFAOYSA-N	426.477	2.472	5	1	IEBF	
COc1ccc(CCC[N@@+]2(C)CCC[C@H](NC(=O)c3nc(Cl)c(N)[nH]c3=N)C2)cc1	473136200	ZDMFDBRQDKHJDG-HBIPHATFSA-O	433.964	2.105	5	1	IEBF	
C[C@H]1COC2(CCN(C3=NC(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4[S@]3=O)CC2)O1	299869248	UJFVBUUVNCGPRL-OYGDWDNZSA-N	447.391	2.458	5	1	IEBF	
CN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC12CC2	1857765641	BKGKPMLTBUNMAR-INIZCTEOSA-N	428.474	2.156	5	1	IEBF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3c4cccnc4c4ncccc4c3[nH]2)c1	586936736	URLLJJHLPLBGRQ-UHFFFAOYSA-N	432.465	2.090	5	1	IEBF	
O=C1NC(=O)N(c2ccccc2)C(=O)[C@@H]1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1	1772575917	BOHZMNVSLFVZLB-CYBMUJFWSA-N	425.382	2.042	5	1	IEBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4054942	VKLDNJAWVYUGFI-PKOBYXMFSA-N	449.847	2.466	5	1	IEBF	
O=C(N[C@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)O)OCc1ccccc1	587206789	ODLYUUOUUUXWBQ-CYBMUJFWSA-N	429.345	2.301	5	1	IEBF	
CCOC(=O)[C@]1(CC(=O)c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962896207	AWIDDABTMQAKQS-LAUBAEHRSA-N	430.388	2.364	5	1	IEBF	
O=C(NC(=O)c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)c2ncccn2)cc1	35879346	HYJOFDMVPUFGGJ-UHFFFAOYSA-N	427.398	2.180	5	1	IEBF	
O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(Cl)cc(Cl)cc2c1=O	299823322	URMABNRRHGBIKR-SECBINFHSA-N	427.200	2.172	5	1	IEBF	
C[C@@H]1COc2c(N3CCC4(CC3)OCCO4)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29126944	JARDWABFOAXMLV-SNVBAGLBSA-N	449.391	2.044	5	1	IEBF	
CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1	82134529	SPFVMBZQTVBWNV-UHFFFAOYSA-N	426.477	2.250	5	1	IEBF	
N[C@@H](Cc1cc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1CCC(=O)O)C(=O)O	299818960	AWEDKCIEYYFOQJ-HNNXBMFYSA-N	435.820	2.472	5	1	IEBF	
CN(Cc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1	586928547	FHKMSWBCXPPBET-UHFFFAOYSA-N	426.252	2.449	5	1	IEBF	
Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1	587118553	RHLNMZBYNJFDBW-UHFFFAOYSA-N	432.384	2.293	5	1	IEBF	
O=C1O[C@@](CO)(COC(=O)c2ccc([N+](=O)[O-])cc2)C/C1=C\c1ccc([N+](=O)[O-])cc1	42888568	CTDIJZYVAGFCLC-ULXKQSRTSA-N	428.353	2.421	5	1	IEBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)nc(O)nc2[nH]1	586949531	XYCJGKBTLGZOHK-UHFFFAOYSA-N	442.413	2.449	5	1	IEBF	
Cc1nn(Cn2ccc(C(=O)n3ncc4ccc(Cl)cc4c3=O)n2)c(C)c1[N+](=O)[O-]	587653247	ULJYXEPWMRWDCY-UHFFFAOYSA-N	427.808	2.162	5	1	IEBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@H](O)c1ccccc1	299828356	QZAIHVTWWVAFEO-DBTKADIDSA-N	425.393	2.336	5	1	IEBF	
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c(-c3cccnc3)nc12	71329123	DRCKQYVNKHTBQT-UYAOXDASSA-N	433.424	2.357	5	1	IEBF	
O=[N+]([O-])c1ccc(Cn2cc(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)cc1	84617383	WUIMIUNAUVMSSQ-HXUWFJFHSA-N	441.398	2.235	5	1	IEBF	
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1cc([N+](=O)[O-])ccc1O)C1=C(O)c3ccccc3C1=N2	104001802	KYTUORHZOINXCC-OAHLLOKOSA-N	432.392	2.247	5	1	IEBF	
CN(C)CCn1c(=O)n(CCN(C)C)c2c3cc(O)ccc3nc3c([N+](=O)[O-])ccc1c32	5847469	MZSNQZLDEPAPTH-UHFFFAOYSA-N	438.488	2.241	5	1	IEBF	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)ccc1OCC[C@H](N)C(=O)O	587943295	UTYZTGDVIQOJMM-VIFPVBQESA-N	432.202	2.482	5	1	IEBF	
COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2N2CCN(C)CC2)cc1OC	653913918	SPVBEEBVLVDAMB-UHFFFAOYSA-N	436.490	2.165	5	1	IEBF	
O=C(NC[C@@H]1CC[C@H]2[C@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1	95866971	PYMRECNIFNWJGI-BQFCYCMXSA-N	446.485	2.337	5	1	IEBF	
O=c1cc(OC[C@H](O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2o1	299836215	MIKWVFMHEMFLTJ-GOSISDBHSA-N	425.441	2.263	5	1	IEBF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586938045	IIUKYTHVGQQIGH-ZETCQYMHSA-N	429.256	2.007	5	1	IEBF	
O=C([C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCCNCC1	82085378	HRGPYTSMARYFBK-QGZVFWFLSA-N	429.502	2.145	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@@]4(O)C[N@+](C)(CF)CCO4)cc3)cc2)C1	253676275	ODXWPFAJOKGMHJ-CLCZQPDDSA-N	432.536	2.154	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc([C@@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-]	586941687	VGFKBKFAPOOLSW-INIZCTEOSA-N	436.475	2.395	5	1	IEBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(C[18F])CCO4)cc3)cc2)C1	101420022	ODXWPFAJOKGMHJ-OGMTYTIJSA-N	431.539	2.154	5	1	IEBF	
O=C1Nc2ccccc2[C@@]12N[C@H](Cc1cnc[nH]1)[C@@H]([N+](=O)[O-])[C@@H]2c1cccc([N+](=O)[O-])c1	1857543233	MCHLQUUIHOIZHR-HDAAZOAOSA-N	434.412	2.109	5	1	IEBF	
Cc1cccc(CN2CCN([C@H]3CN(Cc4ccc([N+](=O)[O-])cc4)S(=O)(=O)C3)CC2)c1	72104782	UAYLATLMYMPIGP-QFIPXVFZSA-N	444.557	2.235	5	3	IEBF	
C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)NCCCN1CCCC1	82083466	OQUHVROYFGTRNY-CQSZACIVSA-N	431.518	2.439	5	1	IEBF	
Cn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCN(c4ccccn4)CC3)c(F)c21	28396315	XDERXVKUOOCEPL-UHFFFAOYSA-N	427.392	2.006	5	1	IEBF	
COC(=O)c1ccc(Cn2c(C)c(C(=O)NCc3ccc([N+](=O)[O-])cc3)sc2=O)o1	61904132	QUGSFAPKHMKORL-UHFFFAOYSA-N	431.426	2.484	5	3	IEBF	
CO[C@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1	95595849	WMRIYHSPDSIWMA-IJLGJDIWSA-N	444.532	2.217	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@]4(O)C[N@@+](C)(CF)CCO4)cc3)cc2)C1	253676285	ODXWPFAJOKGMHJ-DPZBCOQUSA-N	432.536	2.154	5	1	IEBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@@H](NS(=O)(=O)c1ccccc1)CCO2	1857592449	KGLWDDFXFZQVBC-HNNXBMFYSA-N	449.485	2.320	5	1	IEBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCO[N+](=O)[O-])[C@@H]1c1cccc([N+](=O)[O-])c1	38907260	VZJWYZJNEIMSFY-QGZVFWFLSA-N	435.389	2.144	5	1	IEBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3	587265072	CENGULITOCGRRC-QPFGOUBPSA-N	428.361	2.244	5	1	IEBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4054943	VKLDNJAWVYUGFI-HKUYNNGSSA-N	449.847	2.466	5	1	IEBF	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2cccc3cnccc23)CC1	1857548963	DRMWUBAIUNPOBH-UHFFFAOYSA-N	426.454	2.290	5	1	IEBF	
O=C1C(=O)N(Cc2cccc([N+](=O)[O-])c2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21	103299002	ZSLCIFACVMMVCF-HNNXBMFYSA-N	447.444	2.447	5	1	IEBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1	587265746	WWYGNKUVVPXIPC-KBUNVGBDSA-N	438.198	2.417	5	1	IEBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@H](c1ccccc1)[C@H]1O[C@@H]2CC(=O)O[C@@H]2[C@H]1O	299829184	UBRHQGXNJNYDTP-HRBFATHRSA-N	425.393	2.336	5	1	IEBF	
CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3ccc([N+](=O)[O-])cc3)n2)CC1	82148085	RPNDMCYSEGCPOV-UHFFFAOYSA-N	440.504	2.448	5	1	IEBF	
Cc1ncc(Cn2cc(CSc3nnc(-c4ccccc4[N+](=O)[O-])o3)nn2)c(N)n1	653730834	IVQNJDLHBIMHPQ-UHFFFAOYSA-N	425.434	2.258	5	1	IEBF	
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])s4)CC3)cc2)C(=O)O1	28861912	BHGNFONCMPNQPZ-KRWDZBQOSA-N	445.501	2.444	5	1	IEBF	
CC(=O)c1ccc(OC[C@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)c(C)c1O	169337600	ZLCBDNBMEORBPN-GFCCVEGCSA-N	445.380	2.442	5	1	IEBF	
COc1ccccc1[C@H]1SCC(=O)N1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21	64527683	WNSGTBZXYVWCHX-LJQANCHMSA-N	427.442	2.259	5	1	IEBF	
CCc1nc(N)nc(N)c1-c1ccc(NCc2ccc(S(N)(=O)=O)cc2)c([N+](=O)[O-])c1	13765346	WZYKLQAQVKMEFW-UHFFFAOYSA-N	443.489	2.038	5	1	IEBF	
Cc1cc2nc(-c3c(I)c(C(=O)O)nn3C)[nH]c2cc1[N+](=O)[O-]	587181578	VVYLBSZTEWFJBN-UHFFFAOYSA-N	427.158	2.483	5	1	IEBF	
O=C(O)c1cn2c3ccc([N+](=O)[O-])cc3oc3c(N4CCNCC4)c(F)cc(c1=O)c32	1772574969	HXLWFRAVXNLMFV-UHFFFAOYSA-N	426.360	2.354	5	1	IEBF	
NC(=O)c1cc(N2CCC(c3nc4nc(Br)c[nH]c-4n3)CC2)ccc1[N+](=O)[O-]	587263453	UQWZUGLBYAKVFZ-UHFFFAOYSA-N	446.265	2.458	5	1	IEBF	
O=C(O)CC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN1CCC2(CCCC2)CC1	27209334	NDHCIVDQMADVBJ-QGZVFWFLSA-N	432.477	2.245	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc([C@H](N)N=O)cc3[nH]2)cc1[N+](=O)[O-]	586941695	VGFKBKFAPOOLSW-MRXNPFEDSA-N	436.475	2.395	5	1	IEBF	
CC(C)CN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82134681	FGWRGDLOHSOICI-MRXNPFEDSA-N	440.504	2.482	5	1	IEBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587265708	HEDABQWKDRPAIM-ABKXIKBNSA-N	435.418	2.317	5	1	IEBF	
O=C1COCCN1c1ccc(-n2cnc3onc(-c4ccc([N+](=O)[O-])cc4)c3c2=O)cc1	299856117	CBTZZTMWRWKWKI-UHFFFAOYSA-N	433.380	2.312	5	1	IEBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(C[18F])CCO4)cc3)cc2)C1	101420028	ODXWPFAJOKGMHJ-HLMZUILESA-N	431.539	2.154	5	1	IEBF	
CC(=O)NC[C@H]1CN(c2ccc(N3CCN(c4ccc([N+](=O)[O-])o4)CC3)c(F)c2)C(=O)O1	28861900	JMUYLWKUOFMODF-HNNXBMFYSA-N	447.423	2.115	5	1	IEBF	
CN(Cc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1)S(=O)(=O)c1cccnc1	586929242	USNJHUXJBANPRE-UHFFFAOYSA-N	426.252	2.449	5	1	IEBF	
COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(C(=O)CN1CCOCC1)CC2	35034015	OKXGBATUMBFANT-QHCPKHFHSA-N	441.484	2.418	5	1	IEBF	
CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82134539	MOKZNUTXMGPUOE-OAHLLOKOSA-N	426.477	2.283	5	1	IEBF	
CO[C@@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1	95595850	WMRIYHSPDSIWMA-KKLOIMHHSA-N	444.532	2.217	5	1	IEBF	
Nn1c(SCCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2sccc2c1=O	26024340	MMMYZINUMDYGEG-UHFFFAOYSA-N	446.558	2.384	5	1	IEBF	
Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)Nc4ccc([N+](=O)[O-])cc4)cc3)cc2n(C)c1=O	13678785	VCPSPVGCIBZGCA-UHFFFAOYSA-N	449.423	2.158	5	1	IEBF	
COC(=O)C1=CO[C@H](C)[C@H]2C[N+]3([O-])CC[C@@]4(C(=O)Nc5cc(OC)c(OC)cc54)[C@@H]3C[C@H]12	13383247	YKKORDRKTQJPTD-ABBCMHNASA-N	444.484	2.092	5	1	IEBF	
C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)C3=C(C(=O)OC3)[C@H](O)[C@@H](O)[C@@H]12	34751135	FUQHSLBVVLYMCI-PEVTXAFISA-N	431.441	2.153	5	1	IEBF	biogenic
O=C(O)c1cn(-c2ccc([N+](=O)[O-])cc2F)c2cc(N3CCNCC3)c(F)cc2c1=O	26468853	XDQLNOGSJMKHKM-UHFFFAOYSA-N	430.367	2.285	5	1	IEBF	
COc1ccc(-c2noc(-c3cc4c(cc3[N+](=O)[O-])OCO4)c2C(=O)NCCO)cc1	2480931	ZAPVAEHJZSPRCO-UHFFFAOYSA-N	427.369	2.376	5	1	IEBF	
C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)NCCCN1CCCC1	82083202	POVWXHZMEGUGAW-AWEZNQCLSA-N	431.518	2.439	5	1	IEBF	
O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205898	FUGHVZYOCKPTFO-WMZOPIPTSA-N	433.804	2.177	5	1	IEBF	
O=C(O)CC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NN1CCC2(CCCC2)CC1	27209338	NDHCIVDQMADVBJ-KRWDZBQOSA-N	432.477	2.245	5	1	IEBF	
COc1cc(C2=NN(C(N)=S)[C@@H](c3cccc([N+](=O)[O-])c3)C2)ccc1OCC(=O)O	28713529	MCXJUCXYAPOTLA-OAHLLOKOSA-N	430.442	2.462	5	1	IEBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135663	HCYBLOUHFIKAGA-MRXNPFEDSA-N	438.488	2.380	5	1	IEBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1	587266281	KKHIAYOSAHCQLT-VXJOIVPMSA-N	437.390	2.160	5	1	IEBF	
O=C(c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1	1857633297	HKRQTZGJZQTRSV-UHFFFAOYSA-N	434.372	2.014	5	1	IEBF	
COc1cc(CN=c2nn[nH][nH]2)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1	473154073	DVJRZMUUOCHLRP-UHFFFAOYSA-N	435.238	2.492	5	1	IEBF	
CO[C@@H]1COCC[C@@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1	95595848	WMRIYHSPDSIWMA-QSDFQCNWSA-N	444.532	2.217	5	1	IEBF	
COc1cc([C@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4054940	VKLDNJAWVYUGFI-IEBWSBKVSA-N	449.847	2.466	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)Cn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21	299822313	PPDOSGWGQULLTQ-NSHDSACASA-N	440.334	2.193	5	1	IEBF	
N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5ccc([N+](=O)[O-])cc5oc2c34)C1	1772570854	MDXFAQWIWGBZRL-VIFPVBQESA-N	426.360	2.482	5	1	IEBF	
CS(=O)(=O)c1ccc(C(=O)NCCC(=O)N2CCCc3ccccc32)cc1[N+](=O)[O-]	95603493	XMJOPOZJESZHAF-UHFFFAOYSA-N	431.470	2.098	5	1	IEBF	
CC[C@@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049055	PUJIBYVKIORYGB-MJWYBRSISA-N	427.413	2.302	5	1	IEBF	
N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O	587223540	WOBXFNHSEOTTMX-IAGOWNOFSA-N	434.452	2.173	5	1	IEBF	
O=C([C@@H]1CCCN1S(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1	201443074	IMXFGIVXPLFMBC-IBGZPJMESA-N	444.513	2.097	5	3	IEBF	
O=[N+]([O-])c1ccccc1Cn1cc(C[C@](O)(Cn2cncn2)c2ccc(F)cc2F)nn1	84588088	TXHZXEIZURXQSB-FQEVSTJZSA-N	441.398	2.235	5	1	IEBF	
O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049477	KXWXHKZCNKQFDE-PKOBYXMFSA-N	433.848	2.465	5	1	IEBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cc(Br)c2[nH]1	587271196	ADTCQSHOXCGVSQ-KBPBESRZSA-N	439.197	2.406	5	1	IEBF	
CC(C)CN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148183	RSXAYGQTBJBUTQ-INIZCTEOSA-N	440.504	2.482	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCCO4)cc1[N+](=O)[O-]	586940628	BJUWFUDAKIRHPS-UHFFFAOYSA-N	436.471	2.443	5	1	IEBF	
CC(=O)NCCNC(=O)c1cnc(N2CCC(C)CC2)nc1-c1cccc([N+](=O)[O-])c1	82136009	FCEZFRXYIGNEJH-UHFFFAOYSA-N	426.477	2.154	5	1	IEBF	
COc1ccc(Cc2nc3cccc([N+](=O)[O-])c3[nH]2)cc1S(=O)(=O)N1CCOCC1	586957233	SRIRGPCCDLXYBU-UHFFFAOYSA-N	432.458	2.091	5	1	IEBF	
O=C(O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccccc1[N+](=O)[O-])[C@@H]23	299867303	QCVYHCYRSSKVPD-RRCMGGIGSA-N	449.529	2.489	5	1	IEBF	
OC[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cc2ccccc2c2ccccc12	299825005	ULWVXKHMHFFLQL-QEGGNFSNSA-N	439.552	2.439	5	1	IEBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1	587265749	WWYGNKUVVPXIPC-KGFZYKRKSA-N	438.198	2.417	5	1	IEBF	
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccc([N+](=O)[O-])cc3)CO[C@H]12	45259184	WKHIVWYTXPAZBT-FCGDIQPGSA-N	428.397	2.213	5	1	IEBF	
O=c1c(N2CCN(c3cnccn3)CC2)nc2ccccc2n1Cc1ccc([N+](=O)[O-])cc1	169342594	SPIFORQPSNBCER-UHFFFAOYSA-N	443.467	2.470	5	1	IEBF	
COc1ccc(Cc2nc3cc([N+](=O)[O-])c(C)cc3[nH]2)cc1S(=O)(=O)N1CCOCC1	586956954	MBXLHLYGVTUCPZ-UHFFFAOYSA-N	446.485	2.400	5	1	IEBF	
CS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-]	95602109	KLVSEGKGOPHXBX-UHFFFAOYSA-N	445.497	2.134	5	1	IEBF	
Cc1c(C(F)(F)F)cc2nc(C(=O)N[C@@H](CO)C(=O)N3CCCC3)sc2c1[N+](=O)[O-]	653786053	DPAIMPVCNRXFFA-NSHDSACASA-N	446.407	2.245	5	1	IEBF	
C[n+]1c2ccccc2c(C(=O)Nc2ccc(S(=O)(=O)NC(=N)N)cc2)c2ccccc21	5923225	UECYSHSVHXKOKM-UHFFFAOYSA-O	434.501	2.242	5	1	IEBF	
O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1	73222066	LEZQBKGECDFMOL-IPMKNSEASA-N	444.447	2.027	5	1	IEBF	
NC(=O)[C@@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3ccc([N+](=O)[O-])cc3)n2)C1	82149609	BCMWTJJJASWURK-MRXNPFEDSA-N	438.488	2.380	5	1	IEBF	
O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049476	KXWXHKZCNKQFDE-MJGOQNOKSA-N	433.848	2.465	5	1	IEBF	
CC(C)NC(=O)c1ccc(N2CCN(C(=O)n3nnc4ccccc43)CC2)c([N+](=O)[O-])c1	95574947	CNDXLYXHWHHBSP-UHFFFAOYSA-N	437.460	2.268	5	1	IEBF	
O=[N+]([O-])c1ccc(F)cc1OCc1nc2ccc(S(=O)(=O)N3CCOCC3)cc2[nH]1	587159517	QCFGSYJUIAFGSQ-UHFFFAOYSA-N	436.421	2.210	5	1	IEBF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cc(F)c([N+](=O)[O-])cc4[nH]3)cc2)CC1	586956795	IVMNWHJVFKDRCC-UHFFFAOYSA-N	447.448	2.130	5	1	IEBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc(OC(F)(F)F)c2[nH]1	587273285	RGMOEBGJTGNTNF-KBPBESRZSA-N	426.307	2.403	5	1	IEBF	
OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCOCc1cc2ccccc2c2ccccc12	299825006	ULWVXKHMHFFLQL-XDZVQPMWSA-N	439.552	2.439	5	1	IEBF	
C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@@]2(C)[C@H]1[C@H](O)C=C1C(=O)OC[C@@]12O	473135719	SXOSXJVAEAFKDC-PNBTUHDLSA-N	431.441	2.153	5	1	IEBF	
Cc1ccc2nc3[nH]c(=NCc4ccc(CN5CCN(C)CC5)cc4)nc(O)c3nc2c1	1857635016	KAGJCQFRUYJQCW-UHFFFAOYSA-N	429.528	2.368	5	1	IEBF	
C[C@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049015	WNHTWVDMIWLOMA-XFPJRNFQSA-N	440.456	2.482	5	1	IEBF	
O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](C(=O)N2CCNCC2)C1	82081334	RDGPHZOFYPRTGI-HNNXBMFYSA-N	429.502	2.002	5	1	IEBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cc([N+](=O)[O-])cnc3[nH]2)C(C)C)cc1	586936026	GTIMQMFQFMXIOX-KRWDZBQOSA-N	446.489	2.178	5	1	IEBF	
CCCCNC(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148108	UAGWZXYKAHEIGE-OAHLLOKOSA-N	426.477	2.283	5	1	IEBF	
N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5cc([N+](=O)[O-])ccc5oc2c34)C1	101802583	JNCVCCLCPIPZFR-VIFPVBQESA-N	426.360	2.482	5	1	IEBF	
CC(=O)N1CCN(S(=O)(=O)c2ccc(-c3nc4cc(C)c([N+](=O)[O-])cc4[nH]3)cc2)CC1	586956974	NCYDTEMASGFBHV-UHFFFAOYSA-N	443.485	2.299	5	1	IEBF	
COc1ccc([C@@H]2SCC(=O)N2NC(=O)Cn2ncc3cc([N+](=O)[O-])ccc32)cc1	64527603	ZFBMCYCIMNCHEE-IBGZPJMESA-N	427.442	2.259	5	1	IEBF	
CS(=O)(=O)c1cc(-c2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc([N+](=O)[O-])c1Cl	586928145	YGIYHLNXHDCIPG-UHFFFAOYSA-N	431.835	2.442	5	1	IEBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(C)C)cc1	586935119	CDWUADJJMMRTFC-QGZVFWFLSA-N	446.489	2.178	5	1	IEBF	
Cc1ccc([N+](=O)[O-])c(OCCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)c1	587263279	PXACSQWDSFNADF-UHFFFAOYSA-N	446.485	2.422	5	1	IEBF	
N=C(N)NCCCCNc1ccnc2c1ccc1c(NCCCCNC(=N)N)ccnc12	45348866	RYHRSBCRKRDZMM-UHFFFAOYSA-N	436.568	2.133	5	1	IEBF	
CCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc21	66114426	OTWARXKEWMODBL-UHFFFAOYSA-N	444.513	2.405	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3ccc(C(=O)N(C)C)cc3[nH]2)cc1[N+](=O)[O-]	586940832	HKEHKEWGLMPAIB-UHFFFAOYSA-N	449.514	2.373	5	1	IEBF	
Nc1ccc(-c2ccc3nc([C@@H](O)[C@H](O)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)cc1N	587273404	SPSFKRCJYXWGOZ-PMACEKPBSA-N	448.439	2.336	5	1	IEBF	
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OCC(=O)c1ccc([N+](=O)[O-])cc1	1772599203	OSAZVQTVZMTHGL-UHFFFAOYSA-N	439.428	2.419	5	1	IEBF	
COC(=O)[C@@]1([C@@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O	473126409	SSDLHBSHMPPCEQ-FOZDKVSISA-N	438.480	2.271	5	1	IEBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cc3c(cc2[nH]1)OCC(=O)N3	587265074	CENGULITOCGRRC-WNWIJWBNSA-N	428.361	2.244	5	1	IEBF	
CC(=O)NCc1ccc(S(=O)(=O)N[C@H](c2nc3cncc([N+](=O)[O-])c3[nH]2)C(C)C)cc1	586935105	CDWUADJJMMRTFC-KRWDZBQOSA-N	446.489	2.178	5	1	IEBF	
NS(=O)(=O)c1ccc(CCNc2ncnc(NCc3ccccc3)c2[N+](=O)[O-])cc1	64512874	NCRCFODDLVKZOH-UHFFFAOYSA-N	428.474	2.299	5	1	IEBF	
COc1cc(CC(=O)N2CCC(n3c(=O)nc4cccc[c-]43)CC2)c([N+](=O)[O-])cc1OC	169717089	VUCZYLZQJIEGKX-UHFFFAOYSA-N	439.448	2.447	5	1	IEBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1	587266271	KKHIAYOSAHCQLT-ANRSDYALSA-N	437.390	2.160	5	1	IEBF	
NS(=O)(=O)c1ccc(CCN2C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C2=O)cc1	1772586120	IFAAOQOFTFMOMY-UHFFFAOYSA-N	425.422	2.234	5	1	IEBF	
O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)Nc1ccccc1	95797222	PYMRECNIFNWJGI-JFIYKMOQSA-N	446.485	2.337	5	1	IEBF	
CN1CCN(/C=C2\N=C3CN=C(c4ccccc4F)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1	143788565	JYMHWJZLSYFHJD-RGEXLXHISA-N	448.458	2.419	5	1	IEBF	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)O[C@@H]1[C@H]2OC(=O)C[C@H]2O[C@@H]1[C@@H](O)c1ccccc1	299828359	QZAIHVTWWVAFEO-USVIMINCSA-N	425.393	2.336	5	1	IEBF	
N[C@H](CC(=O)O)C(=O)N[C@H](CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O	587220974	OYQHUXCXTRKCOY-IAGOWNOFSA-N	434.452	2.173	5	1	IEBF	
COc1c(OCc2ccc([N+](=O)[O-])cc2)c(Cl)cc(CN=c2nn[nH][nH]2)c1[N+](=O)[O-]	473152879	WOQMIGAQPUUALC-UHFFFAOYSA-N	435.784	2.291	5	1	IEBF	
CN1CCN(c2ccc3nc(CC[C@H](N)C(=O)Nc4ccc([N+](=O)[O-])cc4)[nH]c3c2)CC1	587272782	PYLIBBTVJGJPQE-SFHVURJKSA-N	437.504	2.122	5	1	IEBF	
CCCCNS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1	587265007	REEJIBHROLAUJO-AWEZNQCLSA-N	433.490	2.498	5	1	IEBF	
COc1cc([C@@H](C)OC(=O)[C@@H](N)[C@H](OCc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC	28099123	QPWKLGAYALYTQA-HQOQDVMHSA-N	448.428	2.214	5	1	IEBF	
C[C@H]1COc2c(N3CCC4(CC3)OCCO4)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23	29126945	JARDWABFOAXMLV-JTQLQIEISA-N	449.391	2.044	5	1	IEBF	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCCOC)/c1=N/C(=O)C(C)(C)C	12465836	TUESRXUNLAYQJP-NCELDCMTSA-N	440.500	2.336	5	1	IEBF	
COCCc1noc(C[C@H]2CCOC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)n1	1857585777	LEPHQDSTCMHQJF-CQSZACIVSA-N	434.449	2.404	5	1	IEBF	
Cn1cc(N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1C(=O)N1C[C@H](O)[C@@H](O)C1	40933229	XZCZELYCEDKRRD-VXKWHMMOSA-N	436.468	2.449	5	1	IEBF	
N[C@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	587223544	WOBXFNHSEOTTMX-SJORKVTESA-N	434.452	2.173	5	1	IEBF	
CC[C@@H](O)CNC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049057	PUJIBYVKIORYGB-YHBQJITHSA-N	427.413	2.302	5	1	IEBF	
O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1	82081336	VSXZTIWDBVSOAP-INIZCTEOSA-N	443.529	2.392	5	1	IEBF	
Cc1cn(CO[C@@H]2CO[P@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(O)nc1=O	253691692	VFMWJZPDATTZBK-YNMHVIMOSA-N	445.296	2.080	5	1	IEBF	
O=[N+]([O-])c1cc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c2cc1[N+](=O)[O-]	587135529	FYZYIOVDJYBSEM-UHFFFAOYSA-N	431.308	2.275	5	1	IEBF	
CN(C)C1=N[C@@H](c2cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2-c2ccccc2)NC(=N)N1	1857565325	ZXNWPTVSNWDNCA-SFHVURJKSA-N	449.431	2.399	5	1	IEBF	
CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(Cc4ccc([N+](=O)[O-])o4)CC3)nc21	103171612	QEFHHXYPOAXRJJ-UHFFFAOYSA-N	445.407	2.077	5	1	IEBF	
Cc1ccc2cc([C@@H]3SCC(=O)N3NC(=O)c3ccc([N+](=O)[O-])cc3)c3nnnn3c2c1	1772651772	XFXRZJIFNIJBBQ-FQEVSTJZSA-N	449.452	2.413	5	1	IEBF	
CCOC(=O)CN1CCc2cc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)ccc2C1	1857651107	QKUBGKRAGUTKMV-UHFFFAOYSA-N	442.428	2.354	5	1	IEBF	
CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCc3ccccc3C2)cc1[N+](=O)[O-]	95604752	UESVPGZSDOBVGM-UHFFFAOYSA-N	445.497	2.093	5	1	IEBF	
O=C([C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1	767134	AYZIAQYFOIVGSD-ICSRJNTNSA-N	425.397	2.274	5	1	IEBF	
CCN(CC)CCn1c2cc(N3CCN(C)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21	26182396	YNPFMEHHSZIQQG-UHFFFAOYSA-N	439.560	2.242	5	1	IEBF	
O=[N+]([O-])c1ncn(CCNS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1	84689412	IWORGYSVDFCXQY-UHFFFAOYSA-N	433.290	2.202	5	1	IEBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(-c3nc[nH]c3N)c(N)c2c1	587620220	ASQUWAANNCOWOT-UHFFFAOYSA-N	443.445	2.440	5	1	IEBF	
C[C@@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049016	WNHTWVDMIWLOMA-NQZBTDCJSA-N	440.456	2.482	5	1	IEBF	
COC(=O)[C@]1([C@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O	473126410	SSDLHBSHMPPCEQ-LTLLVOOCSA-N	438.480	2.271	5	1	IEBF	
CS(=O)(=O)n1c(COCCN2COc3ccccc3C2=O)cc2cc([N+](=O)[O-])ccc21	103266608	CWVCFJFLNPQTFV-UHFFFAOYSA-N	445.453	2.366	5	1	IEBF	
O=[N+]([O-])c1ccc(C=c2nc(O)c(=Cc3ccc(OCc4ccccc4)cn3)nc2O)cc1	299814669	RSACHGINDYIKER-UHFFFAOYSA-N	442.431	2.428	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(Cl)cc(Cl)c21	299823351	UURHLTVSXPOJGT-SNVBAGLBSA-N	441.227	2.481	5	1	IEBF	
NS(=O)(=O)c1cccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c12	587270070	JNMOYMMCCNSBPU-UHFFFAOYSA-N	429.458	2.138	5	1	IEBF	
C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1	587266276	KKHIAYOSAHCQLT-AYVTZFPOSA-N	437.390	2.160	5	1	IEBF	
CCCCNC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148105	UAGWZXYKAHEIGE-HNNXBMFYSA-N	426.477	2.283	5	1	IEBF	
CCOC(=O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2cc(Cl)c(F)cc2c1=O	299821381	LMXHGMBLBPTLEY-JTQLQIEISA-N	438.799	2.137	5	1	IEBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587265723	HEDABQWKDRPAIM-JDNHERCYSA-N	435.418	2.317	5	1	IEBF	
CCOC(=O)Cc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587270805	PXUWRJOZZJTKLB-INIZCTEOSA-N	425.445	2.475	5	1	IEBF	
C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(C)(=O)=O)cc2[nH]1	587265725	HEDABQWKDRPAIM-XXFAHNHDSA-N	435.418	2.317	5	1	IEBF	
COC(=O)c1cccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c12	586940725	DMJPJSCQQLWYKV-UHFFFAOYSA-N	436.471	2.458	5	1	IEBF	
Cc1ncc(Cn2cc(CSc3nnc(-c4cccc([N+](=O)[O-])c4)o3)nn2)c(N)n1	653720550	SYONYQIFGOSFSJ-UHFFFAOYSA-N	425.434	2.258	5	1	IEBF	
N[C@@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O	587220976	OYQHUXCXTRKCOY-IRXDYDNUSA-N	434.452	2.173	5	1	IEBF	
CCOC(=O)C1CCN(c2ncnc(Nc3ccc(-n4cncn4)cc3)c2[N+](=O)[O-])CC1	40845183	DZBNWHGYBOGICD-UHFFFAOYSA-N	438.448	2.489	5	1	IEBF	
O=C(N[C@@H](Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)O)OCc1ccccc1	587206798	ODLYUUOUUUXWBQ-ZDUSSCGKSA-N	429.345	2.301	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3cc4c(cc3[nH]2)OCC(=O)N4)cc1[N+](=O)[O-]	586941073	DKJUPZSFZFHGBK-UHFFFAOYSA-N	449.470	2.002	5	1	IEBF	
CS(=O)(=O)NC(=O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1	621476422	SVNNVGBOIABALC-UHFFFAOYSA-N	439.405	2.238	5	1	IEBF	
CC(C)CN(C)C(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82134680	FGWRGDLOHSOICI-INIZCTEOSA-N	440.504	2.482	5	1	IEBF	
NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc4nc5ccccc5nc4cc3[nH]2)c1	586935198	GCGKTIPVNPXBNZ-UHFFFAOYSA-N	432.465	2.090	5	1	IEBF	
CN(c1ncnc2[nH]ccc12)[C@H]1CN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC12CC2	1857652446	JZLDVKHEWADZAR-INIZCTEOSA-N	428.474	2.156	5	1	IEBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](NCc1ccc(OC(F)(F)F)c(N3CCOCC3)c1)C2	72179293	HYRMRTDMEPMIOU-ZDUSSCGKSA-N	443.382	2.077	5	1	IEBF	
C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586940236	XVCOSCKDMDLCJA-ZETCQYMHSA-N	429.256	2.007	5	1	IEBF	
O=C1C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3CF)cc21	103299004	XKFNXVGANVXVEU-HNNXBMFYSA-N	447.444	2.447	5	1	IEBF	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586938040	IIUKYTHVGQQIGH-SSDOTTSWSA-N	429.256	2.007	5	1	IEBF	
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3cccc([N+](=O)[O-])c3)CO[C@H]12	45259721	QPYAYFHGPCRUDB-FCGDIQPGSA-N	428.397	2.213	5	1	IEBF	
CC(=O)N1CCN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82135659	UYPIBRWSDWAINQ-UHFFFAOYSA-N	438.488	2.346	5	1	IEBF	
CN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3-c2ccc([N+](=O)[O-])cc2)CC1	1914411	YTLBGLWWLYMYAX-UHFFFAOYSA-N	426.404	2.488	5	1	IEBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4205901	PLVZGOXNWTXKOY-MJGOQNOKSA-N	449.847	2.466	5	1	IEBF	
COc1cc(N)c(Cl)cc1C(=O)NC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CCO1	27704500	WUOOFQMSVMOHJL-HNNXBMFYSA-N	434.880	2.470	5	1	IEBF	
COCCOCO[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12	73400168	IUQWHGMVZPNAGK-PUECVXPYSA-N	438.458	2.036	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(CF)CCO4)cc3)cc2)C1	28706989	ODXWPFAJOKGMHJ-RWIDKHAYSA-N	432.536	2.154	5	1	IEBF	
C[C@]1(CO)CCC[C@@]2(C)[C@H]1[C@H](OC(=O)c1ccc([N+](=O)[O-])cc1)C=C1C(=O)OC[C@@]12O	38799813	ISKLVGANHNNXLD-PNBTUHDLSA-N	431.441	2.153	5	1	IEBF	
O=C([C@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1	201443009	IKJTUHUWXZNUDF-HXUWFJFHSA-N	444.513	2.097	5	3	IEBF	
COc1ccc2nc3[nH]c(=NCc4ccc(CN5CCN(C)CC5)cc4)nc(O)c3nc2c1	1857745994	JKYLGYCOFASWOK-UHFFFAOYSA-N	445.527	2.069	5	1	IEBF	
COc1cc(-n2nnnc2OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc(OC)c1OC	169331787	YNSKEQZECGOZTO-UHFFFAOYSA-N	432.349	2.084	5	1	IEBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(OC(F)(F)F)cc2[nH]1	587271451	CYVYYRMOWUPYPE-KBPBESRZSA-N	426.307	2.403	5	1	IEBF	
O=C([C@@H]1CCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccccc2)CC1	201442968	IKJTUHUWXZNUDF-FQEVSTJZSA-N	444.513	2.097	5	3	IEBF	
CC(=O)N1CCN(c2ncc(C(=O)N(C)CC(C)C)c(-c3cccc([N+](=O)[O-])c3)n2)CC1	82134674	IRJFRLQNXBWPFJ-UHFFFAOYSA-N	440.504	2.448	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ccncn1)C(Cl)(Cl)Cl	1857592048	YMRSKMOSVNGTBP-NSHDSACASA-N	438.659	2.424	5	1	IEBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2cc(I)cnc2[nH]1	587265172	LNCBQPLUHRUHBF-VIFPVBQESA-N	425.186	2.419	5	1	IEBF	
O=[N+]([O-])c1cccc(Cn2cc(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)c1	84617380	ZIZJJCKYDLKKND-FQEVSTJZSA-N	441.398	2.235	5	1	IEBF	
COc1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])c2[nH]c(CCC(=O)O)c(N)c2c1	587621192	PXQWHOISTWWCDN-UHFFFAOYSA-N	434.430	2.485	5	1	IEBF	
O=C(c1cccnc1Nc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN(CCO)CC1	103286221	MFJKDOSOUFTRPF-UHFFFAOYSA-N	428.474	2.093	5	1	IEBF	
O=[N+]([O-])c1ccc(Nc2nccc(-c3ccc(S(=O)(=O)N4CCNCC4)cc3)n2)cc1	13588916	POBJRIPOMSIISZ-UHFFFAOYSA-N	440.485	2.389	5	1	IEBF	
CN(C)CCNC(=O)c1ccc2c3c1nc1ccc([N+](=O)[O-])cc1c3[nH]n2CCN(C)C	26982158	OMDODBOTEVUESM-UHFFFAOYSA-N	437.504	2.432	5	1	IEBF	
O=C(NCCO)[C@@H]1C(c2cccc(Cl)c2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205891	FUGHVZYOCKPTFO-AEFFLSMTSA-N	433.804	2.177	5	1	IEBF	
O=c1[nH]c(=O)n(COCCO)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)Nc1ccccc1S2	13741660	USIOQWPEAUAXIY-QGZVFWFLSA-N	442.453	2.077	5	1	IEBF	
O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1	82081437	VHNACAOOMFDDKB-OAHLLOKOSA-N	443.529	2.392	5	1	IEBF	
CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)OCCOC)[C@@H]1c1cccc([N+](=O)[O-])c1	1772627616	CKRGPBMTWHQHKP-GOSISDBHSA-N	435.433	2.078	5	1	IEBF	
C[C@H]1COC2(CCN(C3=NC(=O)c4cc(C(F)(F)F)cc([N+](=O)[O-])c4[S@@]3=O)CC2)O1	299869247	UJFVBUUVNCGPRL-WGRJPIRYSA-N	447.391	2.458	5	1	IEBF	
C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2nc(Br)c[nH]c-2n1	587265751	WWYGNKUVVPXIPC-KSBSHMNSSA-N	438.198	2.417	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@]4(O)C[N@+](C)(CF)CCO4)cc3)cc2)C1	253676287	ODXWPFAJOKGMHJ-NLJOTIRTSA-N	432.536	2.154	5	1	IEBF	
CC1=C(C(N)=O)[C@H](c2ccc([N+](=O)[O-])cc2)C(C(=O)NCCCN2CCCCC2)=C(C)N1	13782504	QWRDGJNWAMEFDT-NRFANRHFSA-N	441.532	2.307	5	1	IEBF	
N[C@@H](CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587273313	SQGWXYZHUWQPGS-NSHDSACASA-N	429.349	2.186	5	1	IEBF	
CC(C)[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1	82082412	VHBVOBMJCCZAOL-QGZVFWFLSA-N	431.518	2.295	5	1	IEBF	
O=C(O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)[C@@H]23	299865619	NZJFTWKALBPKGO-KXMFFLDDSA-N	449.529	2.489	5	1	IEBF	
N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@H](CCC(=O)O)C(=O)O	587223537	WOBXFNHSEOTTMX-DLBZAZTESA-N	434.452	2.173	5	1	IEBF	
CC[C@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1	82135738	RPESJYQHEOCTOF-AWEZNQCLSA-N	426.477	2.249	5	1	IEBF	
O=[N+]([O-])c1ccc(Cn2cc(C[C@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)cc1	84617385	WUIMIUNAUVMSSQ-FQEVSTJZSA-N	441.398	2.235	5	1	IEBF	
COc1cc(-c2onc(C(C)(C)C)c2C(=O)NCCOCCO)c([N+](=O)[O-])cc1OC	2483844	JUOXGYKCDHNQQD-UHFFFAOYSA-N	437.449	2.303	5	1	IEBF	
CN(CC(=O)NCCCN1CCCC1)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1	82085694	UKFMZQXYUSILNP-UHFFFAOYSA-N	431.518	2.392	5	1	IEBF	
O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@H](NS(=O)(=O)c1ccccc1)CCO2	1857592450	KGLWDDFXFZQVBC-OAHLLOKOSA-N	449.485	2.320	5	1	IEBF	
C[C@H]1Cc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95601153	VTKXKEJTLSWXOV-ZDUSSCGKSA-N	431.470	2.048	5	1	IEBF	
COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)CN1CCOCC1)CC2	35034013	ZTHLKVFSDFDVIS-HSZRJFAPSA-N	441.484	2.418	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(CF)CCO4)cc3)cc2)C1	28706993	ODXWPFAJOKGMHJ-HFKGTQBBSA-N	432.536	2.154	5	1	IEBF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@H](C)C(N)=O)[nH]c3ccc([N+](=O)[O-])cc23)c1	40394951	SOEJGQNHUGVVLE-GFCCVEGCSA-N	444.469	2.129	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCN(C(=O)OC(C)(C)C)CC1	1772580091	XHFVISDCPYIRQR-CYBMUJFWSA-N	445.567	2.031	5	1	IEBF	
O=C(c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cn(Cc2cccc([N+](=O)[O-])c2)nn1	1857637798	IVWFBKYWNMSIHC-UHFFFAOYSA-N	434.372	2.014	5	1	IEBF	
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1cccc([N+](=O)[O-])c1	64527640	XWKVMAJFOFFXML-SFHVURJKSA-N	442.413	2.158	5	1	IEBF	
COC(=O)C1=C(C(=O)OC)N(c2cccc([N+](=O)[O-])c2)CN(c2cccc([N+](=O)[O-])c2)C1	96927599	MHEVULXOSVFUGS-UHFFFAOYSA-N	442.384	2.387	5	1	IEBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@]4(O)C[N+](C)(CF)CCO4)cc3)cc2)C1	28706990	ODXWPFAJOKGMHJ-AVPLEESXSA-N	432.536	2.154	5	1	IEBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)c(F)cc2[nH]1	587274300	ZDAJHUMGTQTYTB-KBPBESRZSA-N	439.197	2.406	5	1	IEBF	
O=C(NCCOCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049478	KXWXHKZCNKQFDE-HKUYNNGSSA-N	433.848	2.465	5	1	IEBF	
CC[C@@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82135743	LPLAQDJSDHYUND-HIFRSBDPSA-N	426.477	2.282	5	1	IEBF	
COc1cccc2c1c(=O)c1c(NCCN(C)C)ccc3c(CNCCN(C)C)nn2c31	100754732	OJBIPQUIAQFFSH-UHFFFAOYSA-N	436.560	2.072	5	1	IEBF	
CC[C@@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82149785	ANOQYIROSRQUTD-CQSZACIVSA-N	426.477	2.249	5	1	IEBF	
CN1CCN(/C=C2\N=C3CN=C(c4ccccc4)c4cc([N+](=O)[O-])ccc4N3C2=O)CC1	169319687	XLARXRWJGXBUCM-CYVLTUHYSA-N	430.468	2.280	5	1	IEBF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@H](C)C[C@@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82136008	YROBHQOAYDACLX-HUUCEWRRSA-N	440.504	2.400	5	1	IEBF	
O=C(O)C1CCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC(C(=O)O)CC2)CC1	72141555	KKBSIBMOIYFEIL-UHFFFAOYSA-N	429.433	2.140	5	1	IEBF	
CC[C@@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1cccc([N+](=O)[O-])c1	82135737	RPESJYQHEOCTOF-CQSZACIVSA-N	426.477	2.249	5	1	IEBF	
CC1=C(c2ccc3nc(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)[nH]c3c2)NNC(=O)C1	586920316	IANRYRJWHBVCOT-UHFFFAOYSA-N	427.442	2.201	5	1	IEBF	
NCCNC(=O)c1c2c(c3c(O)c4ccccc4c4ncnc1c34)=N[C@H]1CCCC[C@H]1N2	27872534	WDYQSAPKHJAPBL-LSDHHAIUSA-N	428.496	2.406	5	1	IEBF	
O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C(=O)N2CCCNCC2)C1	82081337	VSXZTIWDBVSOAP-MRXNPFEDSA-N	443.529	2.392	5	1	IEBF	
CC(=O)NCCNC(=O)c1cnc(N2C[C@@H](C)C[C@H](C)C2)nc1-c1cccc([N+](=O)[O-])c1	82136007	YROBHQOAYDACLX-GJZGRUSLSA-N	440.504	2.400	5	1	IEBF	
COC(=O)[C@@]1([C@H](C[N+](=O)[O-])c2ccccc2)C[C@]2(C)c3ccccc3C[C@@H](CO)N2C1=O	473126412	SSDLHBSHMPPCEQ-VKFKNLQPSA-N	438.480	2.271	5	1	IEBF	
Cc1onc(-c2nc3cc(-n4cnnn4)ccc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1	587080254	SMFOYDLQRONHMD-UHFFFAOYSA-N	426.784	2.308	5	1	IEBF	
C[C@H](CN(C)C)NC(=O)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049017	WNHTWVDMIWLOMA-DYHNYNMBSA-N	440.456	2.482	5	1	IEBF	
CSc1ccc(S(=O)(=O)NCc2nc3c(S)nc(S)nc3[nH]2)cc1[N+](=O)[O-]	586941873	OZYRRKJBNQVUPS-UHFFFAOYSA-N	444.545	2.039	5	1	IEBF	
O=[N+]([O-])c1ccc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)cc1F	587149877	VKCUDJIHZUKADG-UHFFFAOYSA-N	436.421	2.210	5	1	IEBF	
CCCCNC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82147991	UDTPPCDWXHZGLX-UHFFFAOYSA-N	426.477	2.250	5	1	IEBF	
O=C(O)[C@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@@H](C(=O)O)C2)C1	169308222	WAERPIMXGQHJEY-QWHCGFSZSA-N	429.433	2.140	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCN(c2ccccc2F)CC1	1772646436	OYSVLKFPAXDCJD-CQSZACIVSA-N	439.538	2.440	5	1	IEBF	
Cc1cn(CO[C@@H]2CO[P@@](=O)(Oc3ccc([N+](=O)[O-])cc3)O[C@H]2CF)c(O)nc1=O	253691688	VFMWJZPDATTZBK-PFBVRONTSA-N	445.296	2.080	5	1	IEBF	
CC(C)=CCc1cccc2nc3c(C(=O)O[C@@H]4O[C@@H](C)[C@@H](O)[C@@H](O)[C@H]4O)cccc3nc12	33894821	YYAZCIFRQFQQRH-PQILALKLSA-N	438.480	2.276	5	1	IEBF	in-vitro
O=C([C@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCNCC1	82085272	MGWVJCDULTUDEN-QGZVFWFLSA-N	429.502	2.145	5	1	IEBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2/C=C\CCO)cc1	299852067	MTHWYRGQGUTJBD-CCEODWNASA-N	435.546	2.397	5	1	IEBF	
C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)[C@@H]1[C@H](O)C=C1C(=O)OC[C@]12O	2356864956	SXOSXJVAEAFKDC-QFOSDGOKSA-N	431.441	2.153	5	1	IEBF	
COc1cc(OCc2nc3ccc(S(=O)(=O)N4CCOCC4)cc3[nH]2)ccc1[N+](=O)[O-]	587261787	IWXXFFQUBQLXKI-UHFFFAOYSA-N	448.457	2.080	5	1	IEBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c[nH]c(=N)[nH]c-2n1	586948563	KJMKOCGGIYHQBO-UHFFFAOYSA-N	425.430	2.401	5	1	IEBF	
C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)[C@@H]1[C@@H](O)C=C1C(=O)OC[C@@]12O	2356864954	SXOSXJVAEAFKDC-CDMCTNBCSA-N	431.441	2.153	5	1	IEBF	
COc1ccc(-c2n[nH]cc2C(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)cc1	2356814401	HQYQVRSASIOHDY-HIFRSBDPSA-N	435.440	2.415	5	1	IEBF	
O=C(c1cccnc1Nc1nc2cc([N+](=O)[O-])ccc2s1)N1CCN(CCO)CC1	103289089	NWADIGDWMPLOQE-UHFFFAOYSA-N	428.474	2.093	5	1	IEBF	
N[C@H](CC(=O)O)C(=O)N[C@@H](CCc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)O	587220977	OYQHUXCXTRKCOY-SJORKVTESA-N	434.452	2.173	5	1	IEBF	
NC(=O)c1cc(N2CCC(c3nc4ccc(S(=O)(=O)O)cc4[nH]3)CC2)ccc1[N+](=O)[O-]	587263104	LTPCAAHVIUPQLY-UHFFFAOYSA-N	445.457	2.201	5	1	IEBF	
O=C(NCCO)[C@H]1C(c2cccc(Cl)c2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4205894	FUGHVZYOCKPTFO-FUHWJXTLSA-N	433.804	2.177	5	1	IEBF	
Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1	586940546	XJPAFDSJGHIVLK-SFHVURJKSA-N	443.485	2.422	5	1	IEBF	
CC(=O)N1CCN(C(=O)c2cnc(N(C)CC(C)C)nc2-c2cccc([N+](=O)[O-])c2)CC1	82135518	SJFJFKCXUZFPNR-UHFFFAOYSA-N	440.504	2.448	5	1	IEBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)s1	40940464	HFWKABDPKWCDGT-UHFFFAOYSA-N	433.881	2.463	5	1	IEBF	
CS(=O)(=O)Nc1ccc2ccc3ncc(N4CCC5(CC4)OCCO5)cc3c(=O)c2c1	101425541	XPOKTAOPEQLJEW-UHFFFAOYSA-N	441.509	2.463	5	1	IEBF	
COc1ccccc1-n1c(-c2ccc([N+](=O)[O-])cc2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12	45291713	CVECIYWHVUKPBR-UHFFFAOYSA-N	432.396	2.249	5	1	IEBF	
O=C(NCc1ccccc1)O[C@H]1CO[C@@H]2[C@H](OC(=O)c3ccccc3[N+](=O)[O-])CO[C@H]12	45317764	IXCZMWQATLZRCH-FCGDIQPGSA-N	428.397	2.213	5	1	IEBF	
CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCCNCC1	82082410	VHBVOBMJCCZAOL-KRWDZBQOSA-N	431.518	2.295	5	1	IEBF	
CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCCNCC1	82082257	YGDXBTFFIPJKDS-QGZVFWFLSA-N	431.518	2.295	5	1	IEBF	
Cc1cccc(CN2CCN([C@@H]3CN(Cc4ccc([N+](=O)[O-])cc4)S(=O)(=O)C3)CC2)c1	72104781	UAYLATLMYMPIGP-JOCHJYFZSA-N	444.557	2.235	5	3	IEBF	
CC[C@H](O)CNC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049054	PUJIBYVKIORYGB-GMVOTWDCSA-N	427.413	2.302	5	1	IEBF	
NS(=O)(=O)c1ccc2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2c1	587270499	KVJIFTZAKVFUPE-UHFFFAOYSA-N	429.458	2.138	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ccncn1)C(Cl)(Cl)Cl	1857592047	YMRSKMOSVNGTBP-LLVKDONJSA-N	438.659	2.424	5	1	IEBF	
N[C@@H](Cc1cc(Cl)c(NC(=O)c2cccc([N+](=O)[O-])c2)cc1CCC(=O)O)C(=O)O	299831830	ZPNIWXWAMNGDAU-HNNXBMFYSA-N	435.820	2.472	5	1	IEBF	
COc1ccc(CNC(=N)NC(=O)Cc2cc(OC)c(OC)cc2[N+](=O)[O-])cc1OC	299829348	LWWHRGDXGTXOHS-UHFFFAOYSA-N	432.433	2.012	5	1	IEBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccc(OC(F)(F)F)cc3)n1)C2	45253259	UPHMXUZJZXFZMB-ZDUSSCGKSA-N	426.311	2.248	5	1	IEBF	
Nc1ccc2c(c1)oc1c(NCCN3CCOCC3)c(F)cc3c(=O)c(C(=O)O)cn2c13	1772611756	WDPWOICOTFAKFR-UHFFFAOYSA-N	440.431	2.363	5	1	IEBF	
COc1ccc2nc3c(C(=O)NCCN(C)C)ccc(NCCN(C)C)c3c(O)c2c1	13652295	CKMROKZCLFVFRW-UHFFFAOYSA-N	425.533	2.367	5	1	IEBF	
CC(C)CN(C)C(=O)c1cnc(N2CCC[C@@H](C(N)=O)C2)nc1-c1ccc([N+](=O)[O-])cc1	82148185	RSXAYGQTBJBUTQ-MRXNPFEDSA-N	440.504	2.482	5	1	IEBF	
O=C(O)C/C=C\[C@@H]1[C@H]2CCCN3CCC[C@@H](CN1S(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]23	299859272	FRXBAHJZOLSDMY-WZKQLLQYSA-N	449.529	2.489	5	1	IEBF	
O=C(O)Cn1cc(I)c(-c2nc3cc(F)c([N+](=O)[O-])cc3[nH]2)n1	587184875	FSQSBBWMOQRNCX-UHFFFAOYSA-N	431.121	2.163	5	1	IEBF	
CCN(CC)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1	587265633	WHYBLLUSCMZRBS-AWEZNQCLSA-N	433.490	2.450	5	1	IEBF	
Cc1ccc2cc([C@H]3SCC(=O)N3NC(=O)c3ccc([N+](=O)[O-])cc3)c3nnnn3c2c1	1772651773	XFXRZJIFNIJBBQ-HXUWFJFHSA-N	449.452	2.413	5	1	IEBF	
Cn1cc(-c2cnc3ccc4ccc(NS(=O)(=O)N5CC(F)C5)cc4c(=O)c3c2)cn1	72110268	WZDLFQBBDQTFJF-UHFFFAOYSA-N	439.472	2.459	5	1	IEBF	
O=C(C[C@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1	40915143	QBWSBOVNKNZNDF-BQHWHHKNSA-N	437.437	2.139	5	1	IEBF	
O=C([C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1	4051356	AYZIAQYFOIVGSD-QUCCMNQESA-N	425.397	2.274	5	1	IEBF	
COc1cc([C@@H]2ON=C(c3cccc(Cl)c3)[C@@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4205907	PLVZGOXNWTXKOY-HKUYNNGSSA-N	449.847	2.466	5	1	IEBF	
O=C(N[C@@H]1N=C(c2ccccc2)c2cc([N+](=O)[O-])cc3c2N(CC3)C1=O)c1cccnc1	13835627	NIOKUDYXQCLMCD-NRFANRHFSA-N	427.420	2.486	5	1	IEBF	
C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2ccc(S(=O)(=O)O)cc2[nH]1	587266279	KKHIAYOSAHCQLT-GLEZIHRCSA-N	437.390	2.160	5	1	IEBF	
CCn1cc(-c2nc3ccc([N+](=O)[O-])cc3[nH]2)c(=O)c2cc(F)c(N3CCNCC3)nc21	43015878	HDRYWULMHFWYMC-UHFFFAOYSA-N	437.435	2.417	5	1	IEBF	
NC(=O)c1cc(N2CCC(c3nc4cc5c(cc4[nH]3)OCC(=O)N5)CC2)ccc1[N+](=O)[O-]	587263697	ZGNGWHBCTZAWPX-UHFFFAOYSA-N	436.428	2.285	5	1	IEBF	
Cc1ccc2c(c1)cc([C@@H]1SCC(=O)N1NC(=O)c1ccc([N+](=O)[O-])cc1)c1nnnn12	1772571943	KPOZTLALPNEHOA-FQEVSTJZSA-N	449.452	2.413	5	1	IEBF	
NC(=O)[C@H]1CCCN(c2ncc(C(=O)N3CCCCC3)c(-c3cccc([N+](=O)[O-])c3)n2)C1	82135662	HCYBLOUHFIKAGA-INIZCTEOSA-N	438.488	2.380	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCN(c2ccccc2F)CC1	1772646435	OYSVLKFPAXDCJD-AWEZNQCLSA-N	439.538	2.440	5	1	IEBF	
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c(-c3ccccn3)nc12	71330333	NUBXZQRKWBFRNL-UYAOXDASSA-N	433.424	2.357	5	1	IEBF	
COc1cc([C@H](C)OC(=O)[C@@H](N)[C@H](OCc2ccccc2)C(=O)O)c([N+](=O)[O-])cc1OC	28099129	QPWKLGAYALYTQA-NXXSPTCGSA-N	448.428	2.214	5	1	IEBF	
O=C(Cn1c(=O)c(O)nc2cc([N+](=O)[O-])c(-n3cccc3)cc21)NCCc1ccccc1	26733850	AUJCSLSQHFBKON-UHFFFAOYSA-N	433.424	2.160	5	1	IEBF	
COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)CN1CCOCC1)CC2	35034011	ZTHLKVFSDFDVIS-QHCPKHFHSA-N	441.484	2.418	5	1	IEBF	
NCCNCCCn1c(=O)c2cc([N+](=O)[O-])ccc2c2cnc3cc4c(cc3c21)OCO4	96932824	DVPVAUIERLLZCK-UHFFFAOYSA-N	435.440	2.278	5	1	IEBF	
O=C(c1cccnc1Nc1nc2c([N+](=O)[O-])cccc2s1)N1CCN(CCO)CC1	103289086	UCZFERIVZGEGCW-UHFFFAOYSA-N	428.474	2.093	5	1	IEBF	
O=c1cc(OC[C@@H](O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2o1	299836217	MIKWVFMHEMFLTJ-SFHVURJKSA-N	425.441	2.263	5	1	IEBF	
O=C(NCCOCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1	4049475	KXWXHKZCNKQFDE-IEBWSBKVSA-N	433.848	2.465	5	1	IEBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2ccc(C(F)(F)F)cc21	299822310	PPDOSGWGQULLTQ-LLVKDONJSA-N	440.334	2.193	5	1	IEBF	
CS(=O)(=O)c1ccc2nc(C3CCN(c4ccc([N+](=O)[O-])c(C(N)=O)c4)CC3)[nH]c2c1	587262621	DJZGXIJTYATEDM-UHFFFAOYSA-N	443.485	2.358	5	1	IEBF	
CC(=O)c1ccc(OC[C@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1O	169337596	BSGLEUBUVJIJGA-NSHDSACASA-N	431.353	2.134	5	1	IEBF	
C[C@H](Cn1cccn1)n1cnc2cc3c(=O)n([C@H](C)Cn4cccn4)cnc3cc2c1=O	73161521	VWMOCFHWXVFHCG-HZPDHXFCSA-N	430.472	2.022	5	1	IEBF	
NCCNC(=O)c1c2c(c3c(O)c4ccccc4c4ncnc1c34)=N[C@@H]1CCCC[C@H]1N2	27871014	WDYQSAPKHJAPBL-HUUCEWRRSA-N	428.496	2.406	5	1	IEBF	
CN(C)C1=N[C@H](c2cn(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nc2-c2ccccc2)NC(=N)N1	1857565324	ZXNWPTVSNWDNCA-GOSISDBHSA-N	449.431	2.399	5	1	IEBF	
COC(=O)c1cc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc2cc1OC	587269369	BNXGOVTUFGSCMO-AWEZNQCLSA-N	427.417	2.165	5	1	IEBF	
O=C(NN1C(=O)CS[C@H]1c1cc2ccccc2n2nnnc12)c1ccc([N+](=O)[O-])cc1	1772652855	XMIZWNGVNSZRLE-IBGZPJMESA-N	435.425	2.105	5	1	IEBF	
CCOC(=O)CCCn1c(C(=O)OCC)nc2nc3cc(OC)c(OC)cc3cc2c1=O	26580096	LWIASNOHGNIRSZ-UHFFFAOYSA-N	443.456	2.482	5	1	IEBF	
O=C(NCCO)[C@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054939	LPXURTHJPNJZGE-WMZOPIPTSA-N	433.804	2.177	5	1	IEBF	
CCOC(=O)C1CCN(c2ncnc(Nc3ccc(S(C)(=O)=O)cc3)c2[N+](=O)[O-])CC1	40846104	NMFLPNKHJXTHLM-UHFFFAOYSA-N	449.489	2.311	5	1	IEBF	
O=C([C@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2)N1CCOCC1	767136	AYZIAQYFOIVGSD-AZUAARDMSA-N	425.397	2.274	5	1	IEBF	
O=C(O)[C@@H]1CCCN(c2nc3ccc([N+](=O)[O-])cc3nc2N2CCC[C@@H](C(=O)O)C2)C1	169308220	WAERPIMXGQHJEY-CHWSQXEVSA-N	429.433	2.140	5	1	IEBF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)N[C@@H](C)C(N)=O)[nH]c3ccc([N+](=O)[O-])cc23)c1	40394950	SOEJGQNHUGVVLE-LBPRGKRZSA-N	444.469	2.129	5	1	IEBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cc(I)cnc3[nH]2)cc1	586920264	OIEXGHGQFNEKCY-UHFFFAOYSA-N	444.210	2.445	5	1	IEBF	
O=C(C[C@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-]	40913588	VWCNMIPBFKVPLE-KMXQQXAYSA-N	437.437	2.139	5	1	IEBF	
CCOC(=O)[C@@]1(CC(=O)c2cccc([N+](=O)[O-])c2)N[C@H](C(=O)O)Cc2cc(F)ccc21	962896211	AWIDDABTMQAKQS-UWJYYQICSA-N	430.388	2.364	5	1	IEBF	
Cc1cc2[nH]c(-c3nn(C)c(C(=O)O)c3I)nc2cc1[N+](=O)[O-]	587179818	AHPXJQVDHUPPHN-UHFFFAOYSA-N	427.158	2.483	5	1	IEBF	
Cc1cccc2cc([C@@H]3SCC(=O)N3NC(=O)c3ccc([N+](=O)[O-])cc3)c3nnnn3c12	1772575401	VEASHDLGSRUQEQ-FQEVSTJZSA-N	449.452	2.413	5	1	IEBF	
NC(=O)c1cc(N2CCC(c3nc4c(S)nc(S)nc4[nH]3)CC2)ccc1[N+](=O)[O-]	587262937	JEOYHFOVGJSAQX-UHFFFAOYSA-N	431.503	2.321	5	1	IEBF	
CO[C@H]1COCC[C@H]1N[C@@H]1C[C@H]2CCC[C@@]2(C(=O)N2CCc3ncc([N+](=O)[O-])cc3C2)C1	95595851	WMRIYHSPDSIWMA-ABZCRWFKSA-N	444.532	2.217	5	1	IEBF	
CCCCO[C@H](COCn1nnc2ccccc21)CO[P@@](=O)(O)OCC[N+](C)(C)C	40878968	AXOPJLHHZCBHNN-QGZVFWFLSA-O	445.477	2.431	5	1	IEBF	
CS(=O)(=O)c1ccc(C(=O)NCCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-]	95601478	UMPFZEIIFBTWPW-UHFFFAOYSA-N	449.529	2.203	5	1	IEBF	
CC[C@H](C)NC(=O)c1cnc(N2CCC[C@H](C(N)=O)C2)nc1-c1cccc([N+](=O)[O-])c1	82135744	LPLAQDJSDHYUND-ZFWWWQNUSA-N	426.477	2.282	5	1	IEBF	
O=C(O)c1nn(Cc2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)cc1I	587184879	GBXCFEDCICTOPA-UHFFFAOYSA-N	431.121	2.158	5	1	IEBF	
CC(=O)c1ccc(OC[C@@H](O)COc2ccc3c(O)c([N+](=O)[O-])c(=O)oc3c2)cc1O	169337595	BSGLEUBUVJIJGA-LLVKDONJSA-N	431.353	2.134	5	1	IEBF	
O=[N+]([O-])c1cc(-c2nnn(CSc3nnnn3C3CCCCC3)n2)cc([N+](=O)[O-])c1	1772588137	SESIVZCJCZXANV-UHFFFAOYSA-N	432.426	2.398	5	1	IEBF	
COc1ccc(S(=O)(=O)NCCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	40957422	XGUBAZOFXNMZNE-UHFFFAOYSA-N	434.518	2.094	5	1	IEBF	
O=C(c1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cn(Cc2ccccc2[N+](=O)[O-])nn1	1857747722	SUHUMRMWVRKMPL-UHFFFAOYSA-N	434.372	2.014	5	1	IEBF	
C[N+]1(C)CCO[C@@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(CF)CCO4)cc3)cc2)C1	28706986	ODXWPFAJOKGMHJ-OPMJYIBYSA-N	432.536	2.154	5	1	IEBF	
O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@H](C(=O)N2CCCNCC2)C1	82081436	VHNACAOOMFDDKB-HNNXBMFYSA-N	443.529	2.392	5	1	IEBF	
Cc1c(F)c(Br)cc([N+](=O)[O-])c1-n1c(O)c(CC(=O)O)c(CC(=O)O)c1O	587943498	FONGCCUXYFNIFF-UHFFFAOYSA-N	447.169	2.261	5	1	IEBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2ccc(S(N)(=O)=O)cc2[nH]1	587262224	GLLWIGWWZPIRGG-JTQLQIEISA-N	434.430	2.470	5	1	IEBF	
COc1cccc(NC(=O)c2cnc(N3CCN(c4ncccn4)CC3)c([N+](=O)[O-])c2)c1	299859018	VINMZQLVMMKDNW-UHFFFAOYSA-N	435.444	2.367	5	1	IEBF	
COc1ccc(Cc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1S(=O)(=O)N1CCOCC1	586956797	IWVQONCSBYRUEJ-UHFFFAOYSA-N	432.458	2.091	5	1	IEBF	
C[C@]1(CO)CCC[C@]2(C)C3=C(C(=O)OC3)[C@H](O)[C@@H](OC(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]12	34751133	UQNYLSVKARJQKB-PEVTXAFISA-N	431.441	2.153	5	1	IEBF	biogenic
C[C@@H]1Cc2ccccc2N1C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602467	NBQGWRXADUZSSE-CYBMUJFWSA-N	431.470	2.096	5	1	IEBF	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1-c1nc2c(O)nc(N)nc2[nH]1	586948132	FCIAMOXIFDLZCT-UHFFFAOYSA-N	441.429	2.325	5	1	IEBF	
CC(=O)N1CCN(C(=O)c2cnc(N3CCCCC3)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149495	FZDZHAZBFFHIHK-UHFFFAOYSA-N	438.488	2.346	5	1	IEBF	
C[C@]1(COC(=O)c2ccc([N+](=O)[O-])cc2)CCC[C@]2(C)[C@@H]1[C@H](O)C=C1C(=O)OC[C@@]12O	2356864955	SXOSXJVAEAFKDC-FXJJGOGXSA-N	431.441	2.153	5	1	IEBF	
COC(=O)c1ccc(Cn2c(C)c(C(=O)NCc3cccc([N+](=O)[O-])c3)sc2=O)o1	61903562	MROSTJNNBUMTHL-UHFFFAOYSA-N	431.426	2.484	5	3	IEBF	
O=[N+]([O-])c1ccccc1Cn1cc(C[C@@](O)(Cn2cncn2)c2ccc(F)cc2F)nn1	84588085	TXHZXEIZURXQSB-HXUWFJFHSA-N	441.398	2.235	5	1	IEBF	
Cc1cc2nc(-c3nn(CC(=O)O)cc3I)[nH]c2cc1[N+](=O)[O-]	587185255	IZDVTIKZXIPLHS-UHFFFAOYSA-N	427.158	2.332	5	1	IEBF	
COCCc1noc(C[C@@H]2CCOC3(CCN(C(=O)c4ccc([N+](=O)[O-])o4)CC3)C2)n1	1857585776	LEPHQDSTCMHQJF-AWEZNQCLSA-N	434.449	2.404	5	1	IEBF	
COc1cc([C@@H]2ON=C(c3ccc(Cl)cc3)[C@H]2C(=O)NCCO)c([N+](=O)[O-])cc1OC	4054941	VKLDNJAWVYUGFI-MJGOQNOKSA-N	449.847	2.466	5	1	IEBF	
O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054937	LPXURTHJPNJZGE-AEFFLSMTSA-N	433.804	2.177	5	1	IEBF	
O=C(NCCN1CCN(c2ccccc2)CC1)c1cccn2c(=O)c3ccccc3nc12	58013919	YGPXUOAEFAHVNX-UHFFFAOYSA-N	427.508	2.400	5	3	IEBF	
COC(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1OC	587271000	VZEUYYIZIPPRFZ-AWEZNQCLSA-N	427.417	2.165	5	1	IEBF	
C[C@@H](CN(C)C)NC(=O)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4049014	WNHTWVDMIWLOMA-LPLGYCIKSA-N	440.456	2.482	5	1	IEBF	
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCO[N+](=O)[O-])[C@H]1c1cccc([N+](=O)[O-])c1	38732491	VZJWYZJNEIMSFY-KRWDZBQOSA-N	435.389	2.144	5	1	IEBF	
COc1ccc(-c2nnc(N3CCN(S(=O)(=O)c4ccccc4[N+](=O)[O-])CC3)o2)cc1	96923039	CVUQKODKHJYMAA-UHFFFAOYSA-N	445.457	2.164	5	1	IEBF	
COc1cc(O)c2c(=O)cc(C(=O)N3CCN(Cc4ccccc4[N+](=O)[O-])CC3)oc2c1	653795160	RDJNTAODAGIONH-UHFFFAOYSA-N	439.424	2.373	5	1	IEBF	
O=C(NCCO)[C@@H]1C(c2ccc(Cl)cc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2	4054936	LPXURTHJPNJZGE-SJLPKXTDSA-N	433.804	2.177	5	1	IEBF	
O=C(/N=c1\scc(-c2ccccc2)n1-c1ccccc1[N+](=O)[O-])c1cc(=O)[nH]c(=O)[nH]1	40403454	GWSJZQUOVQWIBL-ATJXCDBQSA-N	435.421	2.232	5	1	IEBF	
CCN(CC)CCn1c2cc(N3CCC(O)CC3)c(N)cc2c(=O)c2c(O)cc(O)cc21	26247802	QWNSUBZLCSUFHB-UHFFFAOYSA-N	440.544	2.451	5	1	IEBF	
C[N+]1(C)CCO[C@](O)(c2ccc(-c3ccc([C@@]4(O)C[N+](C)(C[18F])CCO4)cc3)cc2)C1	101420025	ODXWPFAJOKGMHJ-QKIVRNFPSA-N	431.539	2.154	5	1	IEBF	
C[C@@H]1Cc2ccccc2N1C(=O)CN(C)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95601152	VTKXKEJTLSWXOV-CYBMUJFWSA-N	431.470	2.048	5	1	IEBF	
O=C(C[C@@H]1NC(=O)NC1=O)/N=c1\scc(-c2ccccc2)n1-c1ccc([N+](=O)[O-])cc1	40915145	QBWSBOVNKNZNDF-FOVZNYCQSA-N	437.437	2.139	5	1	IEBF	
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@H]1c1ccccc1[N+](=O)[O-]	64527714	CLGINEXJLMRDSY-SFHVURJKSA-N	442.413	2.158	5	1	IEBF	
CC(C)NC(=O)c1cc(N2CCN(C(=O)n3nnc4ccccc43)CC2)ccc1[N+](=O)[O-]	95578391	ZTEJGTHQORYOFA-UHFFFAOYSA-N	437.460	2.268	5	1	IEBF	
O=C(NCCNCCO)c1ccc2c3c1nc1ccccc1c3[nH]n2CCN1CCCC1	26994232	JETOGRHQRHXCGI-UHFFFAOYSA-N	434.544	2.078	5	1	IEBF	
CC(C)(C)n1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCC4(CC3)OCCO4)nc21	28868257	MIGJQVNYONBXEZ-UHFFFAOYSA-N	432.433	2.101	5	1	IEBF	
CC(C)=CCc1cccc2nc3c(C(=O)O[C@@H]4O[C@H](C)[C@H](O)[C@H](O)[C@@H]4O)cccc3nc12	40720872	YYAZCIFRQFQQRH-XLZZSWKISA-N	438.480	2.276	5	1	IEBF	biogenic
CNC(=O)NCCOCCNC(=O)c1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccccc12	1772634875	BRVLLWWMIYSVHK-UHFFFAOYSA-O	434.520	2.283	5	1	IEBF	
O=C(Cn1ncc2cc([N+](=O)[O-])ccc21)NN1C(=O)CS[C@@H]1c1ccccc1[N+](=O)[O-]	64527712	CLGINEXJLMRDSY-GOSISDBHSA-N	442.413	2.158	5	1	IEBF	
CN(C)CCOc1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1	587270085	JWUDNQQFMPITID-KRWDZBQOSA-N	426.477	2.310	5	1	IEBF	
O=C(NN1C(=O)CS[C@@H]1c1cc2ccccc2n2nnnc12)c1ccc([N+](=O)[O-])cc1	1772652856	XMIZWNGVNSZRLE-LJQANCHMSA-N	435.425	2.105	5	1	IEBF	
CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2cccc(S(N)(=O)=O)c2[nH]1	587264015	QDCDHIUAEGIYLL-JTQLQIEISA-N	434.430	2.470	5	1	IEBF	
COc1ccccc1[C@@H]1SCC(=O)N1NC(=O)Cn1ncc2cc([N+](=O)[O-])ccc21	64527685	WNSGTBZXYVWCHX-IBGZPJMESA-N	427.442	2.259	5	1	IEBF	
COc1cc2oc3c(S(=O)(=O)NC4CC4)c(OC)cc(OC)c3c(=O)c2cc1OC	49115869	BDXLMUCFEZMYHH-UHFFFAOYSA-N	435.454	2.421	5	1	IEBF	
CC(=O)N1CCN(C(=O)c2cnc(N(C)CC(C)C)nc2-c2ccc([N+](=O)[O-])cc2)CC1	82149036	ODSCRFLYXQBALD-UHFFFAOYSA-N	440.504	2.448	5	1	IEBF	
CCC(=O)N(c1ccccc1)C1(C(=O)OC)CCN(CCn2cncc2[N+](=O)[O-])CC1	27988092	MCMMLVACMKYCLB-UHFFFAOYSA-N	429.477	2.242	5	1	IEBF	
O=C(NCc1ccc(CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccnc1	1857615436	GQWNEIHTTJYCQH-UHFFFAOYSA-N	426.454	2.398	5	1	IEBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)s1	40940462	TYJAEQOSJXOCCG-UHFFFAOYSA-N	433.881	2.463	5	1	IEBF	
N[C@@H](Cc1nc2c3ccccc3c3ccccc3c2[nH]1)C(=O)N[C@@H](CCC(=O)O)C(=O)O	587223542	WOBXFNHSEOTTMX-IRXDYDNUSA-N	434.452	2.173	5	1	IEBF	
Cn1nc(C(=O)O)c(I)c1-c1nc2cc(F)c([N+](=O)[O-])cc2[nH]1	587179898	IREUBCJCSRYXRD-UHFFFAOYSA-N	431.121	2.314	5	1	IEBF	
COc1nn(CC(=O)n2nc(-c3ccc(C(F)(F)F)nc3)cc2OC)cc1[N+](=O)[O-]	587868164	HHYRPINCOFZDIE-UHFFFAOYSA-N	426.311	2.426	5	1	IEBF	
O=C([C@@H]1CCCN1C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCCNCC1	82085273	MGWVJCDULTUDEN-KRWDZBQOSA-N	429.502	2.145	5	1	IEBF	
O=[N+]([O-])c1cccc(Cn2cc(C[C@@](O)(Cn3cncn3)c3ccc(F)cc3F)nn2)c1	84617378	ZIZJJCKYDLKKND-HXUWFJFHSA-N	441.398	2.235	5	1	IEBF	
O=C(c1csc(-c2ccccc2[N+](=O)[O-])n1)N1CCC[C@@H](C(=O)N2CCNCC2)C1	82081435	FQLLHJOCQRNRHU-CQSZACIVSA-N	429.502	2.002	5	1	IEBF	
O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(Cl)cc(Cl)cc2c1=O	299823327	URMABNRRHGBIKR-VIFPVBQESA-N	427.200	2.172	5	1	IEBF	
O=C(N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccc2[nH]c(-c3ccncc3)nc12	71317690	AZSJIONVAHHNDB-UYAOXDASSA-N	433.424	2.357	5	1	IEBF	
C[C@@H]1Cc2ccccc2N1C(=O)CCCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95602145	APLQVCRIHFLBPX-CQSZACIVSA-N	445.497	2.486	5	1	IEBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Br)cc(F)c2[nH]1	587273937	WTUSDGXVPIJKMP-KBPBESRZSA-N	439.197	2.406	5	1	IEBF	
CCOC(=O)C1=C(C)NC(COC(C)=O)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1	39632360	ZMPJLUJGNJLQPX-SFHVURJKSA-N	432.429	2.499	5	1	IEBF	
COC(=O)c1ccc2nc(CNS(=O)(=O)c3ccc(SC)c([N+](=O)[O-])c3)[nH]c2c1	586941400	SQCQRVYDZKTETO-UHFFFAOYSA-N	436.471	2.458	5	1	IEBF	
Cc1cc(C)cc(S(=O)(=O)c2c(C(=O)NCCC(N)=O)[nH]c3ccc([N+](=O)[O-])cc23)c1	40405207	YWGLKPMNDYPLCU-UHFFFAOYSA-N	444.469	2.131	5	1	IEBF	
CC[C@H](C)NC(=O)c1cnc(N2CCN(C(C)=O)CC2)nc1-c1ccc([N+](=O)[O-])cc1	82149786	ANOQYIROSRQUTD-AWEZNQCLSA-N	426.477	2.249	5	1	IEBF	
O=C(NC(=S)Nc1ccccc1)c1cn(CCO)c2c(cc(O)c3ncccc32)c1=O	103284854	HISPBTYQZKQSSC-UHFFFAOYSA-N	434.477	2.374	5	1	IEBF	
NS(=O)(=O)c1cc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)c(O)c([N+](=O)[O-])c1	1857649919	HCPYHOLWPIUIBJ-UHFFFAOYSA-N	442.278	2.287	5	1	IEBF	
CCCCO[C@@H](COCn1nnc2ccccc21)CO[P@@](=O)(O)OCC[N+](C)(C)C	40878964	AXOPJLHHZCBHNN-KRWDZBQOSA-O	445.477	2.431	5	1	IEBF	
O=C(c1csc(-c2cccc([N+](=O)[O-])c2)n1)N1CCC[C@@H](C(=O)N2CCNCC2)C1	82081335	RDGPHZOFYPRTGI-OAHLLOKOSA-N	429.502	2.002	5	1	IEBF	
CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1	95603504	CJDHADWSDOFIRJ-UHFFFAOYSA-N	449.529	2.155	5	1	IEBF	
O=[N+]([O-])c1ccc(-c2nnc(N3CCN(c4ccc(C5=NCCN5)cc4)CC3)s2)o1	71295187	XUIKMDLSAGVQGS-UHFFFAOYSA-N	425.474	2.383	5	1	IEBF	
N[C@@H](CCc1nc2ccc(CN3CCOCC3)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1	587271328	FFNZUDBTXYEFIC-SFHVURJKSA-N	438.488	2.202	5	1	IEBF