smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCN1C=C(C(=O)OC)C(c2ccc(Cl)c([N+](=O)[O-])c2)C(C(=O)OC)=C1	2805701	RSGAAPZMZPNREY-UHFFFAOYSA-N	410.810	2.408	5	50	HEBA	
Cc1c([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)nn1C	2777754	FAWNHVAFKLRFMB-MRVPVSSYSA-N	416.463	2.225	5	50	HEBA	
CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)n1	2779143	NUMAIKJAPJAEAB-VIFPVBQESA-N	416.463	2.400	5	50	HEBA	
Cc1nn(CC(=O)n2nc(C)c([N+](=O)[O-])c2C)c(C)c1I	6668608	PCHADVLBFKODGW-UHFFFAOYSA-N	403.180	2.166	5	50	HEBA	
CN1C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1cccc(C(=O)O)c1)C2=O	4753693	LHHZWKFKFBTFDQ-KRWDZBQOSA-N	408.370	2.290	5	50	HEBA	
O=C(O[C@H]1OCCO[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	3123029	PBHVUVQOCMWGCF-QZTJIDSGSA-N	418.314	2.216	5	50	HEBA	
CCSc1n[nH]c(-n2ccc3nc4ccn(-c5ccccn5)c(=O)c4cc3c2=O)n1	40398942	WKZXFCOVIMCZMA-UHFFFAOYSA-N	417.454	2.315	5	50	HEBA	
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1	1138640	HJDACOXAESUMJA-UHFFFAOYSA-N	409.420	2.017	5	50	HEBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1	952892424	HFUZRIWRUHDTFO-OAHLLOKOSA-N	423.311	2.109	5	50	HEBA	
CC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	5940691	UJEMJWCUXDKDDW-GFCCVEGCSA-N	413.477	2.472	5	50	HEBA	
COc1ccccc1NC(=O)c1ccc(NCCN2C(=O)CCC2=O)c([N+](=O)[O-])c1	5064529	SQIXIOVNTOJLDH-UHFFFAOYSA-N	412.402	2.417	5	50	HEBA	
COCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21	100627929	LOCGOXYYGAUFBX-HNNXBMFYSA-N	417.469	2.266	5	50	HEBA	
CC[C@H](C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	229901411	FTULSNBLRBFGCO-SLSDUTBNSA-N	400.435	2.373	5	50	HEBA	
COCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3cccc(C)c3nc21	100628030	HBKZNSMIRXWMIZ-UHFFFAOYSA-N	409.490	2.146	5	50	HEBA	
Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1CNC(=O)c1cc2c(c([N+](=O)[O-])c1)OCO2	472658459	DZBQXEQAYDIXIT-KBPBESRZSA-N	420.397	2.271	5	50	HEBA	
Cc1ccc(N(C)C(=O)N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	5013989	SCGVCIHBQIHKJJ-UHFFFAOYSA-N	418.475	2.466	5	50	HEBA	
Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(C)c1	2830523	AAEKMAFOOUIJBL-UHFFFAOYSA-N	403.460	2.358	5	50	HEBA	
O=C(c1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	1175065	BNNNQSHGBIMTQX-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
Cc1cc(=O)oc2ccc(OC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc12	1056245	HYOAJBBEDIIISN-UHFFFAOYSA-N	408.322	2.211	5	50	HEBA	
O=C(CN1CCN(Cc2ccccc2)CC1)NCCCNc1ccc([N+](=O)[O-])cc1	5041242	YHPKKOMGUHXZPV-UHFFFAOYSA-N	411.506	2.331	5	50	HEBA	
O=C(O)CCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1	13857221	JMSHPCVXJAPSEN-UHFFFAOYSA-N	400.343	2.438	5	50	HEBA	
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@H]32)C(=O)N(C)C1=S	230030475	BOBBKTLZLUOETE-QROBEVECSA-N	416.503	2.348	5	50	HEBA	
CCC[C@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl	225835020	WRYNFKMSXFJEON-QMMMGPOBSA-N	401.666	2.450	5	50	HEBA	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1	1124318	WLIBYWZOCYMCHG-UHFFFAOYSA-N	411.370	2.396	5	50	HEBA	
COc1ccc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)c([N+](=O)[O-])c1	20607632	JILMCPQYCRZNDD-UHFFFAOYSA-N	420.385	2.138	5	50	HEBA	
COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1O	12416510	YTYRLCRDULRQOT-LRDDRELGSA-N	421.406	2.001	5	50	HEBA	
CC(C)[C@@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O	5092098	LZVIJZUOIDCKJX-HFQYIWAZSA-N	401.375	2.184	5	50	HEBA	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@@H]3[C@@H]2C1=O	253487601	MLVLTNRIXBWLPR-QZWWFDLISA-N	410.430	2.232	5	50	HEBA	
O=C(O)CNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Cl	5104200	MXCOMGZGIAVOKA-DHDCSXOGSA-N	403.778	2.220	5	50	HEBA	
Cc1cc(=O)oc2cc(OC(=O)CN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)ccc12	1195716	VZCLSGFYINCQHU-UHFFFAOYSA-N	408.322	2.211	5	50	HEBA	
O=C(OCCCCNC1=NS(=O)(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1	2826539	OTENBFAFBBLNLI-UHFFFAOYSA-N	403.416	2.271	5	50	HEBA	
Cc1cccc(N2CCN(c3cc4c(cc3[N+](=O)[O-])n(C)c(=O)c(=O)n4C)CC2)c1C	4857044	CBXNCWGLQSHPFK-UHFFFAOYSA-N	423.473	2.089	5	50	HEBA	
COc1ccccc1N1CCN(S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)CC1	4263284	DMYCYVBZQQJFFD-UHFFFAOYSA-N	407.448	2.123	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@@H]3[C@@H]2C1=O	253487785	QDGKZHNFOUFZDW-IWCQGFGOSA-N	410.430	2.232	5	50	HEBA	
CNC(=O)[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(C)C	225606097	AFOZALJXWBHXTI-KRWDZBQOSA-N	412.512	2.342	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	3878790	FOFJKKJTKSMXQU-UHFFFAOYSA-N	404.448	2.064	5	50	HEBA	
Cc1ccc(C(=O)Nc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1	4755602	SXLSHFPSIRMNKJ-UHFFFAOYSA-N	405.432	2.176	5	50	HEBA	
O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1CCc1ccccc1	96562009	BQAZEMVQVGJNLA-HXUWFJFHSA-N	408.458	2.087	5	50	HEBA	
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)cc1	789821	YESCJUUHMHKYOW-UHFFFAOYSA-N	411.461	2.180	5	50	HEBA	
COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc1I	9235025	HVCUPHYMYGZRIO-HWKANZROSA-N	415.143	2.167	5	50	HEBA	
COc1ccc(CNC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc1OC	1432157	KPLHQEMDMAIABO-UHFFFAOYSA-N	413.228	2.196	5	50	HEBA	
O=C(C[C@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	1071009	RYCXXOQTPDYMGW-INIZCTEOSA-N	416.821	2.218	5	50	HEBA	
COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c2)sc(C(N)=O)c1C	2102198	NRZKHGVCFJROQO-UHFFFAOYSA-N	422.375	2.319	5	50	HEBA	
COc1ccc(NC(=O)CSc2nnc(Cn3nccc3C)o2)c([N+](=O)[O-])c1	13960192	KZTPYFAEEUHVRX-UHFFFAOYSA-N	404.408	2.270	5	50	HEBA	
CCOC(=O)c1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O	1137307	GEWKQQUVPGCXNS-UHFFFAOYSA-N	421.431	2.176	5	50	HEBA	
COC(=O)c1cccc([N+](=O)[O-])c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O	2982342	IFLKAQFUNFHFOW-UHFFFAOYSA-N	410.386	2.432	5	50	HEBA	
CCOC(=O)C(Cc1ccc([N+](=O)[O-])cc1)(Cc1ccc([N+](=O)[O-])cc1)C(N)=O	3618293	RWHYUWWYFIQSOK-UHFFFAOYSA-N	401.375	2.323	5	50	HEBA	
COCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(Br)c([N+](=O)[O-])c1	4863497	IMIXVACKWLASLO-ZDUSSCGKSA-N	414.212	2.175	5	50	HEBA	
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1[N+](=O)[O-]	1173612	STFCGFPRCAHUKS-UHFFFAOYSA-N	405.432	2.176	5	50	HEBA	
O=C(NCCCn1cc(Br)cn1)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1	2778142	VRFNZHQZBRUGSK-UHFFFAOYSA-N	423.227	2.212	5	50	HEBA	
O=C([C@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4748882	CFEXYPFSZPVBLU-INIZCTEOSA-N	400.479	2.425	5	50	HEBA	
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@H]32)C1=O	230038719	SCIVFTCMBZHOHJ-ADYAMRHXSA-N	400.435	2.231	5	50	HEBA	
CC(C)(C)NC(=O)c1cccc(NC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1	1175057	UYMRPOOQKYDXOW-UHFFFAOYSA-N	424.413	2.358	5	50	HEBA	
O=C(OC[C@@H]1CCCN1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	725373367	VFARHEVKNGCTGF-HNNXBMFYSA-N	405.432	2.304	5	50	HEBA	
O=C(CCS(=O)(=O)Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4740547	VNTFOIJZJKFZIM-UHFFFAOYSA-N	417.487	2.249	5	50	HEBA	
CCCOc1ccc(N2C(=O)C[C@@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	4679134	NIYHZSGVFYRQFH-QGZVFWFLSA-N	413.434	2.112	5	50	HEBA	
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H]2O[C@H]3[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]23)cc1	245247874	YNTRSSRUMSYCTL-OTCXFQBHSA-N	419.393	2.209	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(C(C)=O)c1)S(C)(=O)=O	2877888	IOJACFWKIFKTPW-UHFFFAOYSA-N	421.431	2.211	5	50	HEBA	
CCOC(=O)c1ccccc1NC(=O)CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O	850471	CWGGCRMULMECPF-UHFFFAOYSA-N	411.370	2.396	5	50	HEBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCN(CCOC(C)C)CC1	464024283	BGEMSLOQCAWMTM-UHFFFAOYSA-N	406.483	2.156	5	50	HEBA	
Cn1nccc1N1CCC[C@@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	225566265	YBJGEFVJLWZRQF-QGZVFWFLSA-N	412.494	2.330	5	50	HEBA	
Cc1ccc([N+](=O)[O-])c(C)c1NC(=O)C(=O)NC1CCN(Cc2ccccn2)CC1	464045600	IPSNUZVRSIYOFL-UHFFFAOYSA-N	411.462	2.326	5	50	HEBA	
Brc1ccc(OC[C@H]2C[N+]34CCO[B-]3(OCC4)O2)c(Br)c1	195815902	RGUGXDGXVYQLHG-ACCOQDJYSA-N	420.894	2.302	5	50	HEBA	
C[C@@H](C[S@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	225734078	LENFCZIZRLCRFD-KLVQOETNSA-N	406.302	2.431	5	50	HEBA	
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@H]32)cc1	4302957	VJNDFLGKHMYKJZ-IAGOWNOFSA-N	403.416	2.216	5	50	HEBA	
CN1C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)C2=C1CN(c1cccc(C(=O)O)c1)C2=O	4753694	LHHZWKFKFBTFDQ-QGZVFWFLSA-N	408.370	2.290	5	50	HEBA	
COC(=O)c1cn([C@H]2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)nn1	445164842	WVTDWPQXVANDDM-ZDUSSCGKSA-N	417.425	2.147	5	50	HEBA	
COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@]12c1ccc(Cl)cc1	100745397	ONOCEVUARQLKJH-DOXZYTNZSA-N	400.774	2.478	5	50	HEBA	
COc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc1OC	4703639	DDBJSPIVHBNPLN-UHFFFAOYSA-N	421.475	2.431	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@H]3[C@@H]2C1=O	253487784	QDGKZHNFOUFZDW-HJWJTTGWSA-N	410.430	2.232	5	50	HEBA	
COc1ccc(S(=O)(=O)N[C@@H](C[C@@H]2C=Nc3ccccc32)C(=O)O)cc1[N+](=O)[O-]	101172368	RCGXQVFSMIOYAO-ABAIWWIYSA-N	419.415	2.225	5	50	HEBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1nnc(-c2ccccc2)s1	2975284	BSLKFANYIABCTO-UHFFFAOYSA-N	409.383	2.348	5	50	HEBA	
Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCC4)c(C)c1[N+](=O)[O-]	2777546	KORRQXOIAHGZCJ-UHFFFAOYSA-N	416.463	2.137	5	50	HEBA	
N=c1c(C(=O)NC[C@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCC1	100622919	JQEAVWONIQJLNL-OAHLLOKOSA-N	407.474	2.153	5	50	HEBA	
Cn1nc(-c2ccc(NCCN3CCOCC3)c([N+](=O)[O-])c2)c2ccccc2c1=O	19928837	SUBYEDDRMAWUID-UHFFFAOYSA-N	409.446	2.253	5	50	HEBA	
COc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)c1	1141843	ADJPCXAISUNMEZ-UHFFFAOYSA-N	409.420	2.017	5	50	HEBA	
NC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc2c1CCC2	4982165	ZZTCFSYTYVEXAF-UHFFFAOYSA-N	416.459	2.333	5	50	HEBA	
COc1ccc(C(=O)COC(=O)[C@@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	1138059	HCCTUMVTDMCJOJ-LLVKDONJSA-N	412.354	2.014	5	50	HEBA	
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@@H]3CS(=O)(=O)C[C@@H]32)cc1	4302960	VJNDFLGKHMYKJZ-SJORKVTESA-N	403.416	2.216	5	50	HEBA	
O=C(O[C@@H]1OCCO[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	3123030	PBHVUVQOCMWGCF-ROUUACIJSA-N	418.314	2.216	5	50	HEBA	
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@@H]32)C(=O)N(C)C1=S	248004789	BOBBKTLZLUOETE-KRYHZZBUSA-N	416.503	2.348	5	50	HEBA	
CCCc1cc2c(=O)n(NC(=O)CCn3cc([N+](=O)[O-])c(C)n3)c(C)nc2s1	2782150	OVARWLVWMXGZQC-UHFFFAOYSA-N	404.452	2.292	5	50	HEBA	
Cc1nn(Cc2cccc(-c3nc4c5cnn(C)c5ncn4n3)c2)c(C)c1[N+](=O)[O-]	2800378	ZXQNQUZYHGMGDP-UHFFFAOYSA-N	403.406	2.448	5	50	HEBA	
O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	16320105	MRUPWXIQVONASA-UHFFFAOYSA-N	422.441	2.320	5	50	HEBA	
CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)N1N=Cc3ccccc3[C@@H]21	43191178	AYYWAUVPDVVMLV-RDGPPVDQSA-N	418.409	2.172	5	50	HEBA	
COc1ccccc1N1C(=O)C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O	3878542	SGJXIYTUANEXGE-GOSISDBHSA-N	410.430	2.058	5	50	HEBA	
O=C(CCn1ccc([N+](=O)[O-])n1)NCCCn1nc(C(F)(F)F)cc1C1CC1	2778193	MFBDGXXZJQBCCX-UHFFFAOYSA-N	400.361	2.481	5	50	HEBA	
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC(Cl)=CC[C@H]3C2=O)ccc1[N+](=O)[O-]	100274384	BCWBMOADFUDQBC-BIMULSAOSA-N	407.810	2.448	5	50	HEBA	
Cn1c(CNC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)cc(=O)n1-c1ccccc1	1303886108	OMRJRXIVMBNBRX-UHFFFAOYSA-N	405.414	2.355	5	50	HEBA	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-]	100786054	RWBCCWNGHNUCIL-LSOMNZGLSA-N	414.414	2.050	5	50	HEBA	
CCOC(=O)c1cc(C(=O)Nc2ccc(-n3c(O)nnc3O)cc2)cc([N+](=O)[O-])c1	328591949	HAUYZVXAXDKPMS-UHFFFAOYSA-N	413.346	2.016	5	50	HEBA	
CCOC(=O)C1=C(N)N=C(OCC)[C@@H](C(=O)OCC)[C@H]1c1ccccc1[N+](=O)[O-]	101358217	ZLVUZXAWMQKQHC-ZFWWWQNUSA-N	405.407	2.040	5	50	HEBA	
Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)c1[N+](=O)[O-]	2777776	AAZLYGAUTRLAPL-MRVPVSSYSA-N	416.463	2.225	5	50	HEBA	
Cc1nn(CCCNC(=O)CCn2ncc([N+](=O)[O-])c2C)c(C)c1Br	2793941	KPJWYRRRJZIOSP-UHFFFAOYSA-N	413.276	2.272	5	50	HEBA	
Cc1nn(Cc2ccccc2-c2nc3c4cnn(C)c4ncn3n2)c(C)c1[N+](=O)[O-]	2802445	DRDGCDOHBLCZIK-UHFFFAOYSA-N	403.406	2.448	5	50	HEBA	
CCCN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@@H]32)C1=O	245329045	XFCKPAHRJYWKFD-NABQRDIGSA-N	416.434	2.448	5	50	HEBA	
CCn1ncc(Br)c1CN(C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	20608168	KWCAVVLKQDBZIC-UHFFFAOYSA-N	403.258	2.394	5	50	HEBA	
COc1ccc(/C=C(/NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N2CCOCC2)cc1	825113	GURGVJOHIGYMIH-XMHGGMMESA-N	411.414	2.233	5	50	HEBA	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])c1	1190336	YSSWYIBYCKRRFA-UHFFFAOYSA-N	418.358	2.438	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O	2881088	OCXCJXYPVWPUOP-UHFFFAOYSA-N	401.485	2.166	5	50	HEBA	
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	4594382	WHOQXNBDZSLJMB-OXQOHEQNSA-N	400.435	2.375	5	50	HEBA	
CCOC(=O)C1CCN(C(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	4949594	WEIMUQZUAGTJPN-UHFFFAOYSA-N	417.462	2.249	5	50	HEBA	
COCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3ccccc3nc21	100627932	LOCGOXYYGAUFBX-OAHLLOKOSA-N	417.469	2.266	5	50	HEBA	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	100786048	RWBCCWNGHNUCIL-KODHJQJWSA-N	414.414	2.050	5	50	HEBA	
Cn1nccc1N1CCC[C@H](NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)C1	225566296	YBJGEFVJLWZRQF-KRWDZBQOSA-N	412.494	2.330	5	50	HEBA	
C[C@H](C[S@@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	225734105	LENFCZIZRLCRFD-XQHREBAHSA-N	406.302	2.431	5	50	HEBA	
COc1ccc(OC)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	1137351	OIRUSGATRYXRPZ-UHFFFAOYSA-N	409.420	2.017	5	50	HEBA	
COc1ccccc1C(=O)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2C)CC1	20472723	VQNLCJMBWMYDFJ-UHFFFAOYSA-N	409.446	2.448	5	50	HEBA	
N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1C[C@H]1CCCO1	100515188	LAVWELHESAWYDA-MRXNPFEDSA-N	421.501	2.370	5	50	HEBA	
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@H]32)cc1	4302953	VJNDFLGKHMYKJZ-DLBZAZTESA-N	403.416	2.216	5	50	HEBA	
C[C@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1I)c1ccco1	170595098	YAHHONFCYLPKKO-AWEZNQCLSA-N	416.171	2.430	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2[C@H](CCC(=O)N2C2CC2)C1	252517709	PHCUCRZMSHHYEJ-IYOUNJFTSA-N	416.478	2.406	5	50	HEBA	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC[C@@H]1CCCO1	839677	DPSXYTNWPKASEJ-KRWDZBQOSA-N	419.459	2.085	5	50	HEBA	
COc1ccc(S(=O)(=O)N(C)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C	2859419	DHCXMFNBNGSLQM-UHFFFAOYSA-N	407.448	2.479	5	50	HEBA	
Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)NCCSC(F)(F)F	241515586	OGJLFRZGTJAIAS-UHFFFAOYSA-N	408.387	2.252	5	50	HEBA	
CCNC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1	4313647	PYSCGYHCAYHZCJ-UHFFFAOYSA-N	407.448	2.243	5	50	HEBA	
O=C1NCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1Cc1nc2ccccc2o1	170600538	KEHAVXUXGVMHRX-OAGJVSPASA-N	406.398	2.319	5	50	HEBA	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSc2ccc([N+](=O)[O-])cn2)c1	13081287	ZBYAFKTZMOCSJZ-UHFFFAOYSA-N	405.388	2.294	5	50	HEBA	
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	840813	PIYLZWXHRIZHDC-XCVCLJGOSA-N	417.443	2.268	5	50	HEBA	
CCOC(=O)C1=C(N)N=C(OCC)[C@H](C(=O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-]	101358229	ZLVUZXAWMQKQHC-UKRRQHHQSA-N	405.407	2.040	5	50	HEBA	
COc1ccc(S(=O)(=O)N[C@@H](C[C@H]2C=Nc3ccccc32)C(=O)O)cc1[N+](=O)[O-]	16391705	RCGXQVFSMIOYAO-NHYWBVRUSA-N	419.415	2.225	5	50	HEBA	
CC(C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	3612889	RFMPWFWZVBCNTQ-UHFFFAOYSA-N	422.488	2.408	5	50	HEBA	
COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)c([N+](=O)[O-])c1	4863498	IMIXVACKWLASLO-CYBMUJFWSA-N	414.212	2.175	5	50	HEBA	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1	1107023	IBNOOPHBGJGULH-ZROIWOOFSA-N	401.400	2.428	5	50	HEBA	
O=C1C[C@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	2202233	LXIDWEYMBLLXEF-AWEZNQCLSA-N	414.378	2.134	5	50	HEBA	
CCOC(=O)c1ccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	850469	NMDWRZNKQSARCY-UHFFFAOYSA-N	411.370	2.396	5	50	HEBA	
C[C@@H](C[S@@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	225734131	LENFCZIZRLCRFD-YGWIHHTISA-N	406.302	2.431	5	50	HEBA	
COc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1NCCN1C(=O)CCC1=O	5065308	WYNOIUMYNKPVDD-UHFFFAOYSA-N	412.402	2.417	5	50	HEBA	
CCOC(=O)c1sc(NC(=O)Cn2ccc([N+](=O)[O-])n2)c(C(=O)OCC)c1C	2890876	BCIKEWQHDBVTLK-UHFFFAOYSA-N	410.408	2.153	5	50	HEBA	
Cc1ccc(NS(=O)(=O)c2ccsc2[N+](=O)[O-])cc1S(=O)(=O)N(C)C	170617716	IKJVEOLBJPCZRE-UHFFFAOYSA-N	405.479	2.016	5	50	HEBA	
C[C@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1151590	FGGKOIVZGWEJDS-SNVBAGLBSA-N	400.318	2.145	5	50	HEBA	
COc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	19851557	TZRJJGZKBGFTGB-UHFFFAOYSA-N	421.475	2.119	5	50	HEBA	
Cc1cccn2c(=O)c3cc(C(=O)N4CCCCC4)c(=N)n(C[C@@H]4CCCO4)c3nc12	100627393	RXUKCZLZYJAIKS-INIZCTEOSA-N	421.501	2.242	5	50	HEBA	
COCCn1c(=S)[nH]c(=O)c2c(C(=O)OC)cc(-c3cccc([N+](=O)[O-])c3)nc21	20605697	HNNQHPGJBIXHTG-UHFFFAOYSA-N	416.415	2.462	5	50	HEBA	
Cc1nc(CN(C)Cc2nc(O)c3cnn(C)c3n2)[nH]c1-c1cccc([N+](=O)[O-])c1	2325748860	BDZKDMSJBWSDBT-UHFFFAOYSA-N	408.422	2.308	5	50	HEBA	
CN1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2cccs2)CC1	19781913	DRTOPHXEQDSUSO-SSZFMOIBSA-N	400.460	2.201	5	50	HEBA	
CCOc1cccc(C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	4750131	HYOUOFQXNMJNPB-UHFFFAOYSA-N	419.459	2.140	5	50	HEBA	
COc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(OC)c1	2844543	KBWXSRQEFQZRHF-UHFFFAOYSA-N	423.447	2.325	5	50	HEBA	
COCCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3ccccc3nc21	100627999	FZQZXILZTWISQD-UHFFFAOYSA-N	417.469	2.095	5	50	HEBA	
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@]21c1ccc(Cl)cc1	107044382	ONOCEVUARQLKJH-ZRGWGRIASA-N	400.774	2.478	5	50	HEBA	
CCOC(=O)[C@H](Cc1ccc(O)cc1)Nc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	22779886	RUORLWCSUKIQFD-AWEZNQCLSA-N	419.346	2.493	5	50	HEBA	
Cc1ccc(C(=O)COC(=O)CCN2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-]	101669845	RWBCCWNGHNUCIL-YXUGBTPSSA-N	414.414	2.050	5	50	HEBA	
O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	100079880	RRYPLOWULZMVOB-UHFFFAOYSA-N	401.335	2.374	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)N(C)Cc1ccccc1)S(C)(=O)=O	1111007	HEZVCVXDPLGHBE-UHFFFAOYSA-N	407.448	2.028	5	50	HEBA	
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC	1115910	XMRHKMMLARHVKX-UHFFFAOYSA-N	409.420	2.017	5	50	HEBA	
COC[C@@](C)(CCO)Nc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1[N+](=O)[O-]	229877443	IHEFLJSVFKVKHE-RDTXWAMCSA-N	415.512	2.215	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C	253487783	QDGKZHNFOUFZDW-BSWAZPDLSA-N	410.430	2.232	5	50	HEBA	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@H](CO)Cc1ccccn1	170610818	JTNVESZHZUGNBA-NSHDSACASA-N	405.354	2.299	5	50	HEBA	
Cc1c([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)nn1C	2777753	FAWNHVAFKLRFMB-QMMMGPOBSA-N	416.463	2.225	5	50	HEBA	
CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	12412650	JJBLPZWZTWPQNH-OAHLLOKOSA-N	417.447	2.292	5	50	HEBA	
O=C(c1cc([N+](=O)[O-])ccc1N1CCN(CCO)CC1)N1CCCc2ccccc21	20638757	KWUMKTBLYJTVCO-UHFFFAOYSA-N	410.474	2.302	5	50	HEBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	4594358	VNWBFPSBFQSRSG-UZLBHIALSA-N	400.435	2.327	5	50	HEBA	
CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	1118443	BNTFMLADCBGHGT-UHFFFAOYSA-N	423.447	2.407	5	50	HEBA	
O=C([C@@H]1CC(=O)N(C2CCCCC2)C1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	4748879	CFEXYPFSZPVBLU-MRXNPFEDSA-N	400.479	2.425	5	50	HEBA	
Cc1nn(CCc2nc3c4cnn(-c5ccccc5)c4ncn3n2)c(C)c1[N+](=O)[O-]	2800179	GBCBXDUEIWGFKG-UHFFFAOYSA-N	403.406	2.427	5	50	HEBA	
COC(=O)C1=C(C(=O)O)NC(C)=C(C(=O)OC(C)C)[C@H]1c1cccc([N+](=O)[O-])c1	25759208	GETMHKKRBXPTJZ-CQSZACIVSA-N	404.375	2.019	5	50	HEBA	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N3CCCN23)cc1	138547583	HNHULONBMOKPMS-IPMKNSEASA-N	408.414	2.139	5	50	HEBA	
NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)sc2c1CCC2	4811241	WBXBRJSLQSKXDW-UHFFFAOYSA-N	416.459	2.333	5	50	HEBA	
O=C1Nc2ccc(S(=O)(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c3cccc1c23	2685055	BGCNJTLPTXKOGS-MRXNPFEDSA-N	413.411	2.326	5	50	HEBA	
CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2cccnc2)c1=N	100622532	YBKQOWQTXAYIGN-UHFFFAOYSA-N	416.485	2.410	5	50	HEBA	aggregator
O=C(c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	1175308	ZENVVTVGNGYPLE-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
COc1ccc(NC(=O)c2ccc(NCCN3C(=O)CCC3=O)c([N+](=O)[O-])c2)cc1	5065329	UPPMLZFTRRXMJB-UHFFFAOYSA-N	412.402	2.417	5	50	HEBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1	11859178	DITNEJNVBANGNY-XJKCOSOUSA-N	410.308	2.094	5	50	HEBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1ccc(C(=S)N2CCOCC2)cc1	2987633	USTFBUJNJJKDMM-UHFFFAOYSA-N	408.457	2.370	5	50	HEBA	
O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CCN2CCC[C@@H]2C1	2798651	ZRBWGSFWOMJACR-CQSZACIVSA-N	405.842	2.401	5	50	HEBA	
O=C(OC1CCNCC1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1	725373486	WCQLSXUJSPGAGY-UHFFFAOYSA-N	405.432	2.304	5	50	HEBA	
O=c1nc2ccc(Cl)cn2c2cc(Cl)c(S(=O)(=O)N3CCOCC3)cc12	12375253	SUFUPWXQYFJWKA-UHFFFAOYSA-N	414.270	2.175	5	50	HEBA	
CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	43191176	OUFAZERCQOPLKE-MANSERQUSA-N	418.409	2.172	5	50	HEBA	
CCC[C@@H](O)CNS(=O)(=O)c1cc([N+](=O)[O-])cc(Br)c1Cl	225835039	WRYNFKMSXFJEON-MRVPVSSYSA-N	401.666	2.450	5	50	HEBA	
O=[N+]([O-])c1ccc(N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)cc1	67800022	OJPTYHAHMUFDIC-UHFFFAOYSA-N	402.250	2.100	5	50	HEBA	
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C(N)=O)C1	2092752	XSBMUSBPPPNFRA-VIFPVBQESA-N	406.468	2.136	5	50	HEBA	
COc1cc(NC(=O)Cn2cnc3c(cnn3-c3ccccc3)c2=O)cc([N+](=O)[O-])c1	20607370	VDEZQKDBERGEQL-UHFFFAOYSA-N	420.385	2.138	5	50	HEBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1	834831	IZRWNBGAFFIRJZ-QGZVFWFLSA-N	420.443	2.409	5	50	HEBA	
CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@@H]1c1cccc([N+](=O)[O-])c1	55226446	BVCQXFMQEMJISI-GOSISDBHSA-N	402.451	2.498	5	50	HEBA	
Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCOCC1	847734	YCBSWTXDSCMTRM-UHFFFAOYSA-N	405.432	2.176	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1	19890032	VSUGWKAUGOKQOF-UHFFFAOYSA-N	418.475	2.060	5	50	HEBA	
CCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)n1	4531437	WXBAONYSNMUJLA-UHFFFAOYSA-N	420.447	2.246	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@H]2CC=C(Cl)C[C@H]2C1=O	239309805	HWDKDHPEMRUKBZ-TVYUQYBPSA-N	407.810	2.448	5	50	HEBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1	1155320	DITNEJNVBANGNY-ZENOOKHLSA-N	410.308	2.094	5	50	HEBA	
COC(=O)C[C@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCOC1	170598010	ANWSPFARMSHMMM-MRXNPFEDSA-N	415.240	2.128	5	50	HEBA	
CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2ccc([N+](=O)[O-])cc2)CN=3)cc1	4754465	YCQMJXMKVBTZMF-WQRHYEAKSA-N	410.455	2.100	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1N(C[C@@H](O)CN(C)C)S(=O)(=O)c1ccc(C)cc1	2290777	TVZQWOGCZGYREG-INIZCTEOSA-N	423.491	2.030	5	50	HEBA	
COc1ccc(CCNC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC	4881500	ZVQPFHFDUZTWCT-UHFFFAOYSA-N	415.446	2.421	5	50	HEBA	
CC[C@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	5940735	UJEMJWCUXDKDDW-LBPRGKRZSA-N	413.477	2.472	5	50	HEBA	
O=C(NN1C(=O)c2ccc(C(=O)c3cccc([N+](=O)[O-])c3)cc2C1=O)c1ccncc1	1051586	YPRVVLZCFPCKSZ-UHFFFAOYSA-N	416.349	2.162	5	50	HEBA	
COC(=O)[C@@H]1[C@@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@]21c1ccc(Cl)cc1	33838100	ONOCEVUARQLKJH-VCBZYWHSSA-N	400.774	2.478	5	50	HEBA	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3N3CCCN23)cc1	101664970	HNHULONBMOKPMS-GUDVDZBRSA-N	408.414	2.139	5	50	HEBA	
COCCCn1c(=N)c(C(=O)N2CCCCC2)cc2c(=O)n3cccc(C)c3nc21	100662500	JNXFCDWUWISHKC-UHFFFAOYSA-N	409.490	2.100	5	50	HEBA	
C[C@H](N)C(=O)N1CCN(c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)CC1	797575	PJLDDCPFYCBMJO-AWEZNQCLSA-N	406.446	2.201	5	50	HEBA	
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)Cn3cnc([N+](=O)[O-])n3)c2C(N)=O)C1	2092754	XSBMUSBPPPNFRA-SECBINFHSA-N	406.468	2.136	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc2c(c1)OCO2)S(C)(=O)=O	1059850	DHTNFEARFNSHMT-UHFFFAOYSA-N	407.404	2.037	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1	229979139	PHCUCRZMSHHYEJ-SUNYJGFJSA-N	416.478	2.406	5	50	HEBA	
Cc1nn(Cc2ccc(-c3nc4c5cnn(C)c5ncn4n3)cc2)c(C)c1[N+](=O)[O-]	2800267	LSRUGDWZMXIDJX-UHFFFAOYSA-N	403.406	2.448	5	50	HEBA	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3N3CCCN23)cc1	138550253	LFJYIJPHPSWGEJ-IPMKNSEASA-N	408.414	2.139	5	50	HEBA	
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	230038701	WHOQXNBDZSLJMB-OXJNMPFZSA-N	400.435	2.375	5	50	HEBA	
O=C(c1cc(-c2ccccc2)[nH]n1)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	409413571	NXCGWIHSFLVTSL-DZGCQCFKSA-N	405.414	2.406	5	50	HEBA	biogenic
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=CC=NN1[C@H]2C(=O)C(C)(C)C	253487599	MLVLTNRIXBWLPR-LTIDMASMSA-N	410.430	2.232	5	50	HEBA	
Cc1ccc2nc(NC(=N)NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc(C)c2c1	2308224	UJYCWQCCAMAXKR-UHFFFAOYSA-N	400.420	2.480	5	50	HEBA	aggregator
COc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	4044459	OIGOFFWCLDWCNA-LJQANCHMSA-N	410.430	2.058	5	50	HEBA	
COc1ccc(N(CC(=O)N(C)C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	4313639	KZFAZWWWTXQZAM-UHFFFAOYSA-N	407.448	2.195	5	50	HEBA	
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cccc1[N+](=O)[O-]	1171450	VGLOXRFNLDGQEL-UHFFFAOYSA-N	405.432	2.176	5	50	HEBA	
CCCN1C(=O)N(C)C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	230038624	VNWBFPSBFQSRSG-JXFKEZNVSA-N	400.435	2.327	5	50	HEBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N=c2nc[nH]n2-c2ccccc2)cc1Br	328594113	QTESXBWWBNSALP-UHFFFAOYSA-N	424.236	2.161	5	50	HEBA	
COc1cc(CN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1O	19549407	ZGJGMVFRKZQSAO-UHFFFAOYSA-N	401.419	2.276	5	50	HEBA	
CN(CCCC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1	2862972	OMIKAEKFWKDIOE-UHFFFAOYSA-N	405.476	2.354	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	19852628	YYUAYTBLFHRDJI-UHFFFAOYSA-N	418.475	2.060	5	50	HEBA	
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@H](c2ccncc2)C1	252492378	MKGWDVNABCTRPF-HNNXBMFYSA-N	416.438	2.007	5	50	HEBA	
COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1	19853594	ZQTHBHVBMLOMHK-UHFFFAOYSA-N	421.475	2.119	5	50	HEBA	
COc1cccc(-n2ccc3nc4ccn(-n5c(C)nnc5C)c(=O)c4cc3c2=O)c1	38829286	WUZYOLJIUUUDOF-UHFFFAOYSA-N	414.425	2.229	5	50	HEBA	
CCOc1ccc(/C=c2\sc3n(c2=O)CN(c2cccc([N+](=O)[O-])c2)CN=3)cc1	13810160	XXPHGJNZOBSZQL-ZDLGFXPLSA-N	410.455	2.100	5	50	HEBA	
COCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O	104208484	GVFOXQVYDVUZTL-UHFFFAOYSA-N	417.286	2.426	5	50	HEBA	
NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1	5028008	PFRGMECZHBLANE-UHFFFAOYSA-N	404.448	2.485	5	50	HEBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)NC3CCCCC3)CC2)cc1	7638682	NCDPBHPZFCJECC-UHFFFAOYSA-N	412.537	2.108	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C[C@H]2C)cc1	4703741	BVUYFAQFKAWAHJ-CQSZACIVSA-N	418.475	2.453	5	50	HEBA	
O=[N+]([O-])c1ccc(NC(=S)N2CCN(S(=O)(=O)c3ccccc3)CC2)cc1	13784451	XCSXCEUGCMDZLM-UHFFFAOYSA-N	406.489	2.298	5	50	HEBA	
COC(=O)C1=CN(C[C@@H]2CCCO2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1	1077354	FWIURTSHBGQIJS-HNNXBMFYSA-N	402.403	2.287	5	50	HEBA	
CCOCCCn1c(=N)c(C(=O)Nc2cc(C)on2)cc2c(=O)n3ccccc3nc21	100956293	URCGZLHLMCOMSH-UHFFFAOYSA-N	422.445	2.104	5	50	HEBA	
C[C@@H](C(=O)OCC(=O)c1ccc(F)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O	1151589	FGGKOIVZGWEJDS-JTQLQIEISA-N	400.318	2.145	5	50	HEBA	
Cc1ccc(NCCCNC(=O)[C@H]2COCCN2CC(F)(F)F)c([N+](=O)[O-])c1	253404164	GJLMFXYMVZJRRJ-OAHLLOKOSA-N	404.389	2.085	5	50	HEBA	
O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCC(c2cc(C3CCNCC3)[nH]n2)CC1	725374917	VEQRAOGODANMEM-UHFFFAOYSA-N	419.507	2.353	5	50	HEBA	
O=c1c2cc3c(=O)n(Cc4ccccc4)ccc3nc2ccn1CCN1CCOCC1	30903277	BIJOGGFXUJLRRG-UHFFFAOYSA-N	416.481	2.092	5	50	HEBA	
CC(C)(C)OC(=O)C[S@@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	952011	IYFAAQBULKGOSS-VWLOTQADSA-N	417.383	2.338	5	50	HEBA	
O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N[C@@H](CO)Cc1ccccn1	170610819	JTNVESZHZUGNBA-LLVKDONJSA-N	405.354	2.299	5	50	HEBA	
COC(=O)c1ccc(S(=O)(=O)Nc2cccc3c2CCN3C(C)=O)cc1[N+](=O)[O-]	2325822379	UDRAXQDAZAOEMT-UHFFFAOYSA-N	419.415	2.091	5	50	HEBA	
O=[N+]([O-])c1cc([N+](=O)[O-])c2c(c1)S(=O)(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1N2	33355556	VPZVHMFYDGAXEW-UHFFFAOYSA-N	411.264	2.209	5	50	HEBA	
COc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1OC	4703622	GWOXUHAJOLTASY-UHFFFAOYSA-N	407.448	2.123	5	50	HEBA	
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1OC	1120219	FLYHQZCSCPHIJO-UHFFFAOYSA-N	423.447	2.325	5	50	HEBA	
CC1(C)NC(=O)N(CCCOc2cc(Br)cc([N+](=O)[O-])c2N)C1=O	241926497	UGPOOMWKCHDEIS-UHFFFAOYSA-N	401.217	2.039	5	50	HEBA	
COc1ncnc(N(C)C)c1NC(=O)Cc1ccc([N+](=O)[O-])cc1Br	170677332	FFTLJKSYNXPWQE-UHFFFAOYSA-N	410.228	2.403	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1c(F)cccc1F)S(C)(=O)=O	2871981	FYOKFQTVCYCPJA-UHFFFAOYSA-N	415.374	2.286	5	50	HEBA	
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c1	15919328	ZOKSSRBFZKVTEV-UHFFFAOYSA-N	411.461	2.180	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N[C@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1	3623281	RNNZLYJYMFRCDJ-MRXNPFEDSA-N	407.404	2.048	5	50	HEBA	
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@H]32)C(=O)N(C)C1=S	248004777	BOBBKTLZLUOETE-APXLUKDGSA-N	416.503	2.348	5	50	HEBA	
CCOC(=O)c1ccccc1NC(=O)CCNS(=O)(=O)c1ccccc1[N+](=O)[O-]	1893972	APOVPRMVPZNINR-UHFFFAOYSA-N	421.431	2.079	5	50	HEBA	
COc1ccc(S(=O)(=O)N(C)CCCNC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	736345214	MHWVUEXAEPOYNG-UHFFFAOYSA-N	403.457	2.139	5	50	HEBA	
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@@H]32)C1=O	4594385	WHOQXNBDZSLJMB-UZLBHIALSA-N	400.435	2.375	5	50	HEBA	
Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)N3N=CC=C[C@H]3[C@@H]2C1=O	253487600	MLVLTNRIXBWLPR-QAETUUGQSA-N	410.430	2.232	5	50	HEBA	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(Cn2cc(Br)cn2)cc1	651325	VNMOIKYYKKDZGB-UHFFFAOYSA-N	405.212	2.437	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1N(C[C@H](O)CN(C)C)S(=O)(=O)c1ccc(C)cc1	2290776	TVZQWOGCZGYREG-MRXNPFEDSA-N	423.491	2.030	5	50	HEBA	
CC(C)N1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	229887141	XTCLYUDAUYPXRY-OXJNMPFZSA-N	400.435	2.373	5	50	HEBA	
COC(=O)CNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)c([N+](=O)[O-])c1	1133314	QIDHFGGEEARYLF-UHFFFAOYSA-N	410.386	2.359	5	50	HEBA	
COc1ccc(N([C@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1153722	YJAWIONOQBXXPC-HNNXBMFYSA-N	424.456	2.109	5	50	HEBA	
O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc([C@@H]3COc4ccccc4O3)nn12	13031127	DTFDUCAYCHDZSA-HVVQPJKBSA-N	408.395	2.119	5	50	HEBA	
O=C(O[C@@H]1OCCO[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1	13464265	PBHVUVQOCMWGCF-HDICACEKSA-N	418.314	2.216	5	50	HEBA	
Cc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-]	1055909	GLIXCPPZGMCSFB-UHFFFAOYSA-N	407.423	2.189	5	50	HEBA	
O=[N+]([O-])c1cccc(N(C[C@@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)c1	4819818	QLMULAKCGDECQS-SFHVURJKSA-N	405.476	2.247	5	50	HEBA	
COc1ccc(OCCNc2cc(N3CCN(CCO)CC3)ccc2[N+](=O)[O-])cc1	19593903	YOLCICPSKSXSQS-UHFFFAOYSA-N	416.478	2.209	5	50	HEBA	
COC(=O)c1cc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc([N+](=O)[O-])c1	8426435	CSSHGFGYIUALFZ-UHFFFAOYSA-N	414.374	2.252	5	50	HEBA	
CN1CCN(S(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)CC1	2325703141	NOJAWTRSIKFCHW-UHFFFAOYSA-N	419.463	2.175	5	50	HEBA	
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)ccc1[N+](=O)[O-]	239275047	BCWBMOADFUDQBC-ZWKOPEQDSA-N	407.810	2.448	5	50	HEBA	
C[C@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1	170603338	MJHLPMTUHQPWJV-JTQLQIEISA-N	410.418	2.317	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1	466655825	NXGZEZNLJVCXCH-ZBFHGGJFSA-N	412.446	2.321	5	50	HEBA	
Cc1ccc(NCCCNC(=O)[C@@H]2COCCN2CC(F)(F)F)c([N+](=O)[O-])c1	253404161	GJLMFXYMVZJRRJ-HNNXBMFYSA-N	404.389	2.085	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1	19858249	SYDQBDZGFMRTOY-UHFFFAOYSA-N	419.459	2.138	5	50	HEBA	
CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O	249694287	OUFAZERCQOPLKE-WJFTUGDTSA-N	418.409	2.172	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](Nc2ccc(N3CCOCC3)cc2)C1=O	1164842	UPKRCPQJGUXDNC-GOSISDBHSA-N	410.430	2.484	5	50	HEBA	
O=C(c1ccc(F)cc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(F)cc2[N+](=O)[O-])CC1	2899074	VHZIIIYHWVLIPI-UHFFFAOYSA-N	420.328	2.379	5	50	HEBA	
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C)/c1=N/C(=O)c1cccs1	101317878	IMMOEYYKMPKDAV-OQKWZONESA-N	408.439	2.166	5	50	HEBA	
COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nn2cnnc2)cc1[N+](=O)[O-]	1109633	FLAIHVZFTXAQFR-UHFFFAOYSA-N	405.374	2.432	5	50	HEBA	
O=C(c1ccn(COc2ccc([N+](=O)[O-])cc2Cl)n1)N1CCN2CCC[C@H]2C1	2798650	ZRBWGSFWOMJACR-AWEZNQCLSA-N	405.842	2.401	5	50	HEBA	
O=C(Nc1cccc([N+](=O)[O-])c1)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1	2858509	NYRXBHXWMVTJCD-UHFFFAOYSA-N	408.411	2.272	5	50	HEBA	
O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1	834833	IZRWNBGAFFIRJZ-KRWDZBQOSA-N	420.443	2.409	5	50	HEBA	
O=C1Nc2ccc(S(=O)(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c3cccc1c23	2685054	BGCNJTLPTXKOGS-INIZCTEOSA-N	413.411	2.326	5	50	HEBA	
COCCSc1nnc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])s1	9971395	HHTHVECAWCHRTK-UHFFFAOYSA-N	400.438	2.454	5	50	HEBA	
CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	43191180	AYYWAUVPDVVMLV-MANSERQUSA-N	418.409	2.172	5	50	HEBA	
O=[N+]([O-])c1ccc(OCCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1	2320472	HUSOYSJSIPABOJ-UHFFFAOYSA-N	408.432	2.074	5	50	HEBA	
O=C(OC[C@H]1CCCN1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1	725373468	VFARHEVKNGCTGF-OAHLLOKOSA-N	405.432	2.304	5	50	HEBA	
O=[N+]([O-])c1cccc(NC(=S)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1	16346738	VAMBXTCUGSMPBV-UHFFFAOYSA-N	422.488	2.425	5	50	HEBA	
O=C(NC(=S)Nc1ccc(C(=O)N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1	870310	MITCJQMHLRVRDH-UHFFFAOYSA-N	414.443	2.194	5	50	HEBA	
COCCn1cc([C@H]2[C@H](CNc3ccc([N+](=O)[O-])cn3)CC(=O)N2C(C)(C)C)cn1	328603546	GKRBSXXEPHOQLV-IFXJQAMLSA-N	416.482	2.633	5	50	HEBA	
O=C(c1ccccc1[N+](=O)[O-])N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	1178239	IUNZMFVEFYDOPK-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
Cc1cccc([C@H](CO)N2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1	1875253794	SBQZSHFOFWBOMG-IBGZPJMESA-N	409.446	2.271	5	50	HEBA	
COc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	1144011	SUSMOPPKNPNYOL-GFCCVEGCSA-N	423.447	2.405	5	50	HEBA	
Cc1cccc([C@@H](CO)N2CCN(C(=O)c3n[nH]c4ccc([N+](=O)[O-])cc34)CC2)c1	1875253795	SBQZSHFOFWBOMG-LJQANCHMSA-N	409.446	2.271	5	50	HEBA	
COc1ccc(OC)c(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	4193014	KGKMLHHUPFUXSG-UHFFFAOYSA-N	407.448	2.123	5	50	HEBA	
CCCN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@@H]32)C1=O	245329044	XFCKPAHRJYWKFD-CGVCYLSUSA-N	416.434	2.448	5	50	HEBA	
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@@H](C)C[C@@H]32)C1=O	4594387	SCIVFTCMBZHOHJ-CBLJQSSYSA-N	400.435	2.231	5	50	HEBA	
COC(=O)C1=CN(C[C@H]2CCCO2)C=C(C(=O)OC)C1c1ccc([N+](=O)[O-])cc1	1077353	FWIURTSHBGQIJS-OAHLLOKOSA-N	402.403	2.287	5	50	HEBA	
CC(=O)Oc1ccc(/C=c2/sc3nc(-c4cccc([N+](=O)[O-])c4)nn3c2=O)cc1	1087559	XVAAFBVYVBWNPD-CXUHLZMHSA-N	408.395	2.199	5	50	HEBA	
Cc1nc(CO[C@@H]2CCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)cs1	170619741	LUAKNBSKKGPZAC-CQSZACIVSA-N	401.441	2.479	5	50	HEBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl	4774804	KDPFVXLMKQUYHT-SECBINFHSA-N	401.659	2.332	5	50	HEBA	
CCCN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@H](C)[C@H]32)C1=O	245329047	XFCKPAHRJYWKFD-YINZYUKRSA-N	416.434	2.448	5	50	HEBA	
Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NCCc1nc2ccccc2[nH]1	4625436	KOKGXLRSGRDBOR-UHFFFAOYSA-N	407.228	2.097	5	50	HEBA	
COC(=O)c1ccc(OCC(=O)NCc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1	1140744	MTEBFSRMBGUJGS-UHFFFAOYSA-N	404.375	2.094	5	50	HEBA	
CCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1N=Cc3ccccc3[C@@H]21	43191173	OUFAZERCQOPLKE-RDGPPVDQSA-N	418.409	2.172	5	50	HEBA	
COC(=O)c1cn([C@@H]2CCN(C(=O)c3cccc4c(=O)c5ccccc5[nH]c34)C2)nn1	445164840	WVTDWPQXVANDDM-CYBMUJFWSA-N	417.425	2.147	5	50	HEBA	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@@H]2C=CC=NN21	103521067	JOOSAWWFWJAWFC-MANSERQUSA-N	416.393	2.192	5	50	HEBA	
COC(=O)c1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1	2845105	QUMYRPYPCYOMLX-UHFFFAOYSA-N	421.431	2.095	5	50	HEBA	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])o1	16382742	ROIYMDZJJLRBEP-HNNXBMFYSA-N	400.347	2.241	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](Nc2ccc(N3CCOCC3)cc2)C1=O	100865779	UPKRCPQJGUXDNC-SFHVURJKSA-N	410.430	2.484	5	50	HEBA	
CCN(CC)C[C@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	2988704	IZTXFBBDRDTHOO-SFHVURJKSA-N	407.492	2.493	5	50	HEBA	
CCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cc(C)ccc3nc21	100627795	ADQUPDSNWGAJFP-UHFFFAOYSA-N	402.458	2.172	5	50	HEBA	
Cn1c(=O)c2c(nc3n(-c4ccccc4)c(-c4cccc([N+](=O)[O-])c4)cn23)n(C)c1=O	1313643	VXOGYGJVRNUNOB-UHFFFAOYSA-N	416.397	2.251	5	50	HEBA	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@H]([C@H]3C2=O)[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]42)cc1	245247879	YNTRSSRUMSYCTL-SHAPNJEPSA-N	419.393	2.209	5	50	HEBA	
CCOC(=O)c1sc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c(C(=O)OCC)c1C	12413661	QWTBVGBYHQOFLQ-UHFFFAOYSA-N	410.408	2.153	5	50	HEBA	
O=C(c1c[nH]nc1[C@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCOCC1	328606950	UETHRYUNYXZNAL-AWEZNQCLSA-N	417.441	2.309	5	50	HEBA	
O=C(c1ccc(Cl)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	2784004	KZQRXGSBHSHTFU-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
CCN1C(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N(C)C1=S	230030467	BPKPJHLOCGKLCP-HNAYVOBHSA-N	402.476	2.102	5	50	HEBA	
O=c1cc(N2CC[C@H](O)C2)cnn1[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1	328604637	KMERVPIAGYZXMB-HOCLYGCPSA-N	419.869	2.217	5	50	HEBA	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1	4406375	IXBKKSMQRGIQIY-UHFFFAOYSA-N	404.492	2.331	5	50	HEBA	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@H]2C=CC=NN12	9318532	JOOSAWWFWJAWFC-HCXYKTFWSA-N	416.393	2.192	5	50	HEBA	
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@H]32)C1=O	229904724	IGIWMSQJNVGVPB-FXCLAUTBSA-N	420.425	2.208	5	50	HEBA	
CCOC(=O)c1ncn(C2CCN(c3nc4sccn4c3[N+](=O)[O-])CC2)c1N	429328699	DYAWYPKGLKBQRI-UHFFFAOYSA-N	405.440	2.101	5	50	HEBA	
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@H]2CCCO2)cc([N+](=O)[O-])c1O	12416517	YTYRLCRDULRQOT-MLGOLLRUSA-N	421.406	2.001	5	50	HEBA	
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)ccc1[N+](=O)[O-]	5041860	BCWBMOADFUDQBC-XDTLVQLUSA-N	407.810	2.448	5	50	HEBA	
O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1CCc1ccccc1	19797514	BQAZEMVQVGJNLA-FQEVSTJZSA-N	408.458	2.087	5	50	HEBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1	952893890	OKAWOPHHHCTTTR-HNNXBMFYSA-N	423.311	2.109	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O	5060317	HWDKDHPEMRUKBZ-XDTLVQLUSA-N	407.810	2.448	5	50	HEBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1	4263341	DITNEJNVBANGNY-IOASZLSFSA-N	410.308	2.094	5	50	HEBA	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@](O)(C(F)(F)F)N1	229541585	TUVHGKFBTZZXMO-ZENOOKHLSA-N	410.308	2.094	5	50	HEBA	
O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NC[C@@H]1CCCO1	1314795	WQOQJXYZMCEQFL-INIZCTEOSA-N	408.414	2.267	5	50	HEBA	
CN(CCN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])CC(F)F	170619635	VXCCBQJJTKJGMK-UHFFFAOYSA-N	420.482	2.403	5	50	HEBA	
COc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	17730150	OIGOFFWCLDWCNA-IBGZPJMESA-N	410.430	2.058	5	50	HEBA	
O=C(c1c[nH]nc1[C@@H]1CCCN(Cc2c(F)cccc2[N+](=O)[O-])C1)N1CCOCC1	328606951	UETHRYUNYXZNAL-CQSZACIVSA-N	417.441	2.309	5	50	HEBA	
O=C(O[C@@H]1OCCO[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	13301119	HPFUZJJKDBHOCR-HDICACEKSA-N	418.314	2.216	5	50	HEBA	
O=c1/c(=C/c2cccc(Cl)c2)sc2n1CN(c1cccc([N+](=O)[O-])c1)CN=2	13712045	NPXYPCMQYMHOQI-PXNMLYILSA-N	400.847	2.355	5	50	HEBA	
O=C(OC1CCNCC1)c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	725374711	NNHYTEYPHJLCKM-UHFFFAOYSA-N	405.432	2.304	5	50	HEBA	
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	1176036	ZFUDMPWGJXLBIZ-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
CC(C)(C)OC(=O)N1CCN(C(=O)Cn2ccc([N+](=O)[O-])n2)[C@@H](c2ccncc2)C1	252492379	MKGWDVNABCTRPF-OAHLLOKOSA-N	416.438	2.007	5	50	HEBA	
CCOC(=O)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])sc2c1CCNC2	725374169	JFSSZFQSRUQABD-UHFFFAOYSA-N	411.461	2.280	5	50	HEBA	
COC(=O)c1sc(NC(=O)CCCn2nc([N+](=O)[O-])cc2C)c(C(=O)OC)c1C	2887481	SVARCIYNSXXTSW-UHFFFAOYSA-N	424.435	2.462	5	50	HEBA	
COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@H]2CCCO2)cc([N+](=O)[O-])c1O	12416515	YTYRLCRDULRQOT-WBMJQRKESA-N	421.406	2.001	5	50	HEBA	
CC[C@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O	225749720	NGVPVQUEOBCOKZ-MRXNPFEDSA-N	422.239	2.448	5	50	HEBA	
CC(=O)c1ccc(S(=O)(=O)N2CCN(Cc3cc(O)ccc3[N+](=O)[O-])CC2)cc1	225532945	GDTMJEVTCASGFL-UHFFFAOYSA-N	419.459	2.010	5	50	HEBA	
O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(N2CCOCC2)cc1	850449	BELYQRFNAMWGSS-UHFFFAOYSA-N	424.413	2.056	5	50	HEBA	
COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1OC	1132150	IVZMSPLESPRJFH-UHFFFAOYSA-N	409.420	2.017	5	50	HEBA	
Cc1noc(NS(=O)(=O)c2ccc(Nc3ncnc(N)c3[N+](=O)[O-])cc2)c1C	9391660	UORZLVYMRXRWLI-UHFFFAOYSA-N	405.396	2.116	5	50	HEBA	
COC(=O)c1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])o1	16382738	ROIYMDZJJLRBEP-OAHLLOKOSA-N	400.347	2.241	5	50	HEBA	
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@@H](c4ccccc4)C[C@H]32)C1=O	245325959	IGIWMSQJNVGVPB-LZFQIVBZSA-N	420.425	2.208	5	50	HEBA	
CS(=O)(=O)c1ccc([S@@](=O)CC(=O)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	6274891	URAUTQXEKHNNHE-RUZDIDTESA-N	417.848	2.365	5	50	HEBA	
O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccccc1Cl	1118459	ZKNIWXLVDJRIET-UHFFFAOYSA-N	402.746	2.270	5	50	HEBA	
CCOC(=O)c1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCNC2	725373749	VXJMLASXNPLJNA-UHFFFAOYSA-N	411.461	2.280	5	50	HEBA	
COc1cccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1OC	19567986	PGHGYXNRPVEPSW-UHFFFAOYSA-N	421.475	2.119	5	50	HEBA	
COc1ccc(S(=O)(=O)N[C@H](C[C@@H]2C=Nc3ccccc32)C(=O)O)cc1[N+](=O)[O-]	101172371	RCGXQVFSMIOYAO-IAQYHMDHSA-N	419.415	2.225	5	50	HEBA	
N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1C[C@@H]1CCCO1	100515184	LAVWELHESAWYDA-INIZCTEOSA-N	421.501	2.370	5	50	HEBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1	952892713	JBFHJYUCRLIRHV-HNNXBMFYSA-N	423.311	2.109	5	50	HEBA	
CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)n1	2779144	NUMAIKJAPJAEAB-SECBINFHSA-N	416.463	2.400	5	50	HEBA	
C[C@H](C[S@](C)=O)NC(=O)C(C)(C)Nc1ccc(Br)cc1[N+](=O)[O-]	225734052	LENFCZIZRLCRFD-WBNWAKSLSA-N	406.302	2.431	5	50	HEBA	
COc1cc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)cc([N+](=O)[O-])c1	2807339	CKRGDNGXLJXIEB-UHFFFAOYSA-N	414.172	2.418	5	50	HEBA	
Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)ccc1[N+](=O)[O-]	1150338	NNTXTHVPVPQVHI-UHFFFAOYSA-N	405.432	2.176	5	50	HEBA	
COCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cccc(C)c3nc21	100678162	GSNZSGYCDXSNSL-UHFFFAOYSA-N	409.490	2.146	5	50	HEBA	
CCOC(=O)c1sc2ncn3nc(Cn4cc([N+](=O)[O-])c(C)n4)nc3c2c1C	2791625	IEALLBHQWGMEKS-UHFFFAOYSA-N	401.408	2.286	5	50	HEBA	
CCn1c(=N)c(C(=O)NCCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21	100627752	GUPVSGWVLKRRLX-UHFFFAOYSA-N	401.470	2.429	5	50	HEBA	
COc1ccccc1N1CCN(C(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1	1220270	ZZTVFCQRBLVQTE-UHFFFAOYSA-N	400.460	2.440	5	50	HEBA	
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4834254	AZDHOUQNFNDTTM-MRXNPFEDSA-N	403.416	2.222	5	50	HEBA	
Cc1cccn2c(=O)c3cc(C(=O)NCc4cccnc4)c(=N)n(C(C)C)c3nc12	100630629	RVUVLSKEQDZRHQ-UHFFFAOYSA-N	402.458	2.343	5	50	HEBA	
Cc1cc2c(=O)n(NC(=O)c3ccc(Cn4cc([N+](=O)[O-])cn4)o3)c(C)nc2s1	2778671	CYJZZXSACMQNQY-UHFFFAOYSA-N	414.403	2.205	5	50	HEBA	
CCOC(=O)C1=C(N)N=C(OCC)[C@@H](C(=O)OCC)[C@@H]1c1ccccc1[N+](=O)[O-]	101358227	ZLVUZXAWMQKQHC-HIFRSBDPSA-N	405.407	2.040	5	50	HEBA	
COc1ccc(N2C(=O)N(c3ccc([N+](=O)[O-])cc3)[C@H]3CS(=O)(=O)C[C@@H]32)cc1	4302955	VJNDFLGKHMYKJZ-IRXDYDNUSA-N	403.416	2.216	5	50	HEBA	
O=C(O)c1cc(C(=O)O)cc(S(=O)(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	3129716	GGGNPWOMFMUJSO-UHFFFAOYSA-N	400.752	2.445	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@H]2CC(Cl)=CC[C@H]2C1=O	100275623	HWDKDHPEMRUKBZ-BIMULSAOSA-N	407.810	2.448	5	50	HEBA	
COc1ccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c(OC)c1	19852358	HCTGEQIFWQSWIL-UHFFFAOYSA-N	421.475	2.119	5	50	HEBA	
Cc1nscc1C(=O)NS(=O)(=O)c1cc(Br)c(F)cc1[N+](=O)[O-]	225690932	REFCCKHHVDQEOL-UHFFFAOYSA-N	424.229	2.380	5	50	HEBA	
Cc1cccc(NC(=O)COc2ccc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])cc2)c1	9234629	DRERXXIFEGSVDR-JXMROGBWSA-N	422.397	2.468	5	50	HEBA	
C[C@@H](N)C(=O)N1CCN(c2nc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)CC1	797576	PJLDDCPFYCBMJO-CQSZACIVSA-N	406.446	2.201	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)C[C@@H]2C)cc1	4703742	BVUYFAQFKAWAHJ-AWEZNQCLSA-N	418.475	2.453	5	50	HEBA	
O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)[n+]([O-])c1NCc1ccccc1Cl	4831871	KNBRAQWSXCMPBS-UHFFFAOYSA-N	403.782	2.451	5	50	HEBA	aggregator
CC(=O)Nc1ccc(NC(=O)CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	12379656	PTADJUAOFMTJSA-UHFFFAOYSA-N	406.420	2.007	5	50	HEBA	
N=c1c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	100662615	PBXIRFQPBGQPOK-UHFFFAOYSA-N	403.442	2.442	5	50	HEBA	
O=C(C[C@@H]1C(=O)NCCN1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1cccc(Cl)c1	1071011	RYCXXOQTPDYMGW-MRXNPFEDSA-N	416.821	2.218	5	50	HEBA	
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	1174939	DGMDVUXGXCJHBY-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
Cc1cc([N+](=O)[O-])nn1Cc1noc(C(=O)NCC23CC4CC(CC(C4)C2)C3)n1	4753331	QELBIOLSLBCDTE-UHFFFAOYSA-N	400.439	2.477	5	50	HEBA	
COc1ccc(S(=O)(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1[N+](=O)[O-]	8660857	LDLRKHZQZCJUDC-UHFFFAOYSA-N	418.431	2.202	5	50	HEBA	
COC(=O)[C@@H]1[C@H]2C(=O)N(c3ccc([N+](=O)[O-])cc3)C(=O)[C@@]12c1ccc(Cl)cc1	22228818	ONOCEVUARQLKJH-YZVOILCLSA-N	400.774	2.478	5	50	HEBA	
COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1	1137174	DJHHTOIJTPNNKL-UHFFFAOYSA-N	409.420	2.017	5	50	HEBA	
O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(NC(=O)c1ccco1)C2=O	1201369	ZDGKBSJNCPOQEI-UHFFFAOYSA-N	405.322	2.360	5	50	HEBA	
CC(C)(C)OC(=O)C[S@](=O)c1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-]	8741890	IYFAAQBULKGOSS-RUZDIDTESA-N	417.383	2.338	5	50	HEBA	
COC(=O)c1cc(NC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc(C(=O)OC)c1	1190024	BCGWRLKKIYTFEV-UHFFFAOYSA-N	418.358	2.438	5	50	HEBA	
COC(=O)c1ccc(C(=O)OC)c(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)c1	1761784	DCVBLGSWYCBYLQ-UHFFFAOYSA-N	400.343	2.380	5	50	HEBA	
Cc1ccccc1OCC(=O)NCC(=O)OCC(=O)c1ccc(C)c([N+](=O)[O-])c1	4865479	HNPOREASTNJWEU-UHFFFAOYSA-N	400.387	2.133	5	50	HEBA	
CCOC(=O)c1sc(NC(=O)c2cc([N+](=O)[O-])nn2C)c(C(=O)OCC)c1C	12413669	QXVDIHLKEKNYSW-UHFFFAOYSA-N	410.408	2.304	5	50	HEBA	
Cc1ccc(S(=O)(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1[N+](=O)[O-]	19782285	ZITFFZDDDZEYQW-UHFFFAOYSA-N	419.459	2.138	5	50	HEBA	
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C[C@@H]4CCCO4)c3nc12	100627416	GEUSROTXRJRQRV-INIZCTEOSA-N	421.501	2.288	5	50	HEBA	
CCN1C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C(=O)N(C)C1=S	230030464	BPKPJHLOCGKLCP-KXBFYZLASA-N	402.476	2.102	5	50	HEBA	
Cc1cc(C)cc(OC(=O)C[S@](=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1	6709296	CNCFYHUKDKJDPK-AREMUKBSSA-N	411.457	2.328	5	50	HEBA	
O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C/c1ccccc1[N+](=O)[O-]	22109228	JPMGEJFFKQDDCW-HMMYKYKNSA-N	419.441	2.491	5	50	HEBA	
COC(=O)C[C@@]1(NC(=O)Cc2ccc([N+](=O)[O-])cc2Br)CCCOC1	170598011	ANWSPFARMSHMMM-INIZCTEOSA-N	415.240	2.128	5	50	HEBA	
COc1cc(CN2CCN(Cc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1O	19537323	GUNRCEWNIGVFKX-UHFFFAOYSA-N	401.419	2.356	5	50	HEBA	
CCn1cc([N+](=O)[O-])c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)n1	2780533	DZGPOBZIOPQVGV-UHFFFAOYSA-N	402.436	2.154	5	50	HEBA	
O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)Nc1cccc([N+](=O)[O-])c1	2854605	ZFOAVRVXIIQVMH-UHFFFAOYSA-N	406.420	2.260	5	50	HEBA	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@@H]5C(c6ccc([N+](=O)[O-])cc6)=NO[C@@H]54)[C@@H]3C2=O)cc1	245247877	YNTRSSRUMSYCTL-PCMNTEJDSA-N	419.393	2.209	5	50	HEBA	
NC(=O)c1cccc(CNS(=O)(=O)c2c(Cl)ccc([N+](=O)[O-])c2Cl)c1	241316675	LTYSARJBHVAUNV-UHFFFAOYSA-N	404.231	2.479	5	50	HEBA	
COC(=O)c1cc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	2563275	YHEJTPZMBSLNGW-UHFFFAOYSA-N	400.343	2.380	5	50	HEBA	
O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	102199312	FBMKALUASCQAJZ-UHFFFAOYSA-N	401.335	2.374	5	50	HEBA	
COc1cccc2c1ccn2CC(=O)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O	1772491419	ONHLVODYGJVFBR-CABCVRRESA-N	422.441	2.366	5	50	HEBA	
Cc1c(NC(=O)CN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cccc1[N+](=O)[O-]	2887146	OWFWANRXIMMKJT-UHFFFAOYSA-N	407.404	2.037	5	50	HEBA	
Cc1cccn2c(=O)c3cc(C(=O)N4CCCCC4)c(=N)n(C[C@H]4CCCO4)c3nc12	100627396	RXUKCZLZYJAIKS-MRXNPFEDSA-N	421.501	2.242	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1	4688173	QVUBEUGIQCEZAV-UHFFFAOYSA-N	404.448	2.064	5	50	HEBA	
CC[C@@H](C)n1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21	100628117	XMHMNTODNCVQMP-CQSZACIVSA-N	402.458	2.425	5	50	HEBA	
CC(C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	229887134	XTCLYUDAUYPXRY-JXFKEZNVSA-N	400.435	2.373	5	50	HEBA	
CC(C)[C@H](NC(=O)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccco1)C(=O)O	5092095	LZVIJZUOIDCKJX-DKGMDFAASA-N	401.375	2.184	5	50	HEBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@](c2nc(-c3cccnc3)no2)(C(F)(F)F)C1	952893891	OKAWOPHHHCTTTR-OAHLLOKOSA-N	423.311	2.109	5	50	HEBA	
CCOC(=O)c1cccc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1	850470	IMRPIMATGBYCOQ-UHFFFAOYSA-N	411.370	2.396	5	50	HEBA	
CN(C)S(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3ccccc3)c2)CC1	4687441	JETQGISRNSCSPH-UHFFFAOYSA-N	419.507	2.135	5	50	HEBA	
CCOC(=O)C1=C(CSc2nccn2C)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	12412651	JJBLPZWZTWPQNH-HNNXBMFYSA-N	417.447	2.292	5	50	HEBA	
O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1cc(Cl)ccc1C(=O)O	2939583	SEEYOZGXKZREBQ-UHFFFAOYSA-N	403.734	2.181	5	50	HEBA	
COCCOC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1	8398413	AXPHJROUDHHVDC-ZDUSSCGKSA-N	418.431	2.362	5	50	HEBA	
Cc1sc(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)c(C(N)=O)c1C	2084485	CBKNQYBFDULCOC-UHFFFAOYSA-N	416.257	2.278	5	50	HEBA	
O=C(c1ccccc1Cl)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	4993690	SNXWWIQKDIMHLW-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
COc1ccc(OC)c(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	19851736	OJIGQOQOPHLFTG-UHFFFAOYSA-N	421.475	2.119	5	50	HEBA	
CCOC(=O)C1=C(CN2CCC(C)CC2)NC(=O)N[C@H]1c1cccc([N+](=O)[O-])c1	55226450	BVCQXFMQEMJISI-SFHVURJKSA-N	402.451	2.498	5	50	HEBA	
COc1c([N+](=O)[O-])cc(S(=O)(=O)C(F)(F)F)cc1S(=O)(=O)C(F)(F)F	1170373	XRXKRMHXLVHHGL-UHFFFAOYSA-N	417.261	2.190	5	50	HEBA	
Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(N3CCN(C(=O)CCc4ccccc4)CC3)cc21	4478345	GMCSKLIQIOKDTI-UHFFFAOYSA-N	423.473	2.067	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@H](C)N(Cc2ccccc2)C1	466655823	NXGZEZNLJVCXCH-GOEBONIOSA-N	412.446	2.321	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C(C)=O)c1)S(C)(=O)=O	3017740	SOEIHTSEKSPAIG-UHFFFAOYSA-N	421.431	2.211	5	50	HEBA	
COc1ccc(S(=O)(=O)N[C@H](C[C@H]2C=Nc3ccccc32)C(=O)O)cc1[N+](=O)[O-]	16391708	RCGXQVFSMIOYAO-XHDPSFHLSA-N	419.415	2.225	5	50	HEBA	
Cc1nn(C)c(C(=O)Nn2c(C)nc3sc4c(c3c2=O)CC[C@H](C)C4)c1[N+](=O)[O-]	2777775	AAZLYGAUTRLAPL-QMMMGPOBSA-N	416.463	2.225	5	50	HEBA	
Cc1nn(CCC(=O)Nn2c(C)nc3sc4c(c3c2=O)CCCC4)cc1[N+](=O)[O-]	2781615	UBJGNEXJVZGFPW-UHFFFAOYSA-N	416.463	2.219	5	50	HEBA	
CNC(=O)CN1CCC(Nc2cc(C(F)(F)C(F)(F)F)ncc2[N+](=O)[O-])CC1	447685495	LTADEUPMHUEJHW-UHFFFAOYSA-N	411.331	2.266	5	50	HEBA	
COC(=O)c1cc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1	2064356	IYIPQSZIIWZOQW-UHFFFAOYSA-N	417.399	2.295	5	50	HEBA	
CCCn1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3cccc(C)c3nc21	100627794	RXPWKZVPNGKRRT-UHFFFAOYSA-N	402.458	2.172	5	50	HEBA	
N=c1c(C(=O)NCc2ccco2)cc2c(=O)n3ccccc3nc2n1Cc1ccco1	100627251	DAPZYIALJVDJRQ-UHFFFAOYSA-N	415.409	2.293	5	50	HEBA	
COc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2N2CCCN12	138553221	RGTVNUYCFJBVFN-IPMKNSEASA-N	408.414	2.139	5	50	HEBA	
O=C(O[C@@H]1OCCO[C@H]1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	2901973	HPFUZJJKDBHOCR-ROUUACIJSA-N	418.314	2.216	5	50	HEBA	
N=c1n(CCN2CCOCC2)c2ccccc2n1CC(=O)c1cccc([N+](=O)[O-])c1	5073366	GZBPEQGVDXSFPD-UHFFFAOYSA-N	409.446	2.046	5	50	HEBA	
O=C(c1ccc(N2CCN(CCO)CC2)c([N+](=O)[O-])c1)N1CCCc2ccccc21	20638688	UFQTUFAPZHGCTB-UHFFFAOYSA-N	410.474	2.302	5	50	HEBA	
CCCOc1ccc(N2C(=O)C[C@H](NCCNc3ccc([N+](=O)[O-])cn3)C2=O)cc1	100823484	NIYHZSGVFYRQFH-KRWDZBQOSA-N	413.434	2.112	5	50	HEBA	
Cc1nc(Nc2ccc(C(N)=O)cc2)nc(Nc2ccc(C(N)=O)cc2)c1[N+](=O)[O-]	8398748	ZLQJPGIYKYBPDG-UHFFFAOYSA-N	407.390	2.378	5	50	HEBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@](c2nc(-c3ccncc3)no2)(C(F)(F)F)C1	952892414	HFUZRIWRUHDTFO-HNNXBMFYSA-N	423.311	2.109	5	50	HEBA	
O=C(CN1CCOCC1)Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1F	20272198	WEGIBENCHBHKKD-UHFFFAOYSA-N	402.382	2.257	5	50	HEBA	
O=C(OC[C@@H]1CCCN1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	725375235	SMFWWJZJWCDTQC-HNNXBMFYSA-N	405.432	2.304	5	50	HEBA	
COc1cc(NC(=O)[C@H](C)N2C(=O)[C@H]3CC=C(Cl)C[C@H]3C2=O)ccc1[N+](=O)[O-]	239275046	BCWBMOADFUDQBC-TVYUQYBPSA-N	407.810	2.448	5	50	HEBA	
C[C@H]1CCC[C@@H](C)[C@]12NC(=O)N(CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)C2=O	241316781	LUVOCZNXJAZVEN-JIPZTSHUSA-N	415.494	2.421	5	50	HEBA	
CCn1ncc(Br)c1CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	20608124	WQLPRXJIRLJIHR-UHFFFAOYSA-N	403.258	2.394	5	50	HEBA	
O=C(O[C@H]1OCCO[C@@H]1OC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]	2901972	HPFUZJJKDBHOCR-QZTJIDSGSA-N	418.314	2.216	5	50	HEBA	
COc1ccc(C)cc1S(=O)(=O)N(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C	2886065	SSMMEOCTQVCHBA-UHFFFAOYSA-N	407.448	2.479	5	50	HEBA	
CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)Cn2ccc([N+](=O)[O-])n2)C[C@H]1c1ccccc1	225742490	DKPPLRXARONROZ-JKSUJKDBSA-N	415.450	2.311	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@H]1C[C@H](C)N(Cc2ccccc2)C1	466655824	NXGZEZNLJVCXCH-HOCLYGCPSA-N	412.446	2.321	5	50	HEBA	
O=c1cc(N2CC[C@H](O)C2)cnn1[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1	328604638	KMERVPIAGYZXMB-ZBFHGGJFSA-N	419.869	2.217	5	50	HEBA	
COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC[C@@H]2CCCO2)cc([N+](=O)[O-])c1O	12416512	YTYRLCRDULRQOT-BLLLJJGKSA-N	421.406	2.001	5	50	HEBA	
COc1cccc(CN2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1OC	19851080	NTAKALTVPWHVQG-UHFFFAOYSA-N	421.475	2.119	5	50	HEBA	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=CC=NN21	9318526	JOOSAWWFWJAWFC-OKYOBFRVSA-N	416.393	2.192	5	50	HEBA	
CC[C@H](OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1	5007901	HUDFQTBOJDIANM-INIZCTEOSA-N	411.370	2.085	5	50	HEBA	
Cc1cc(C)cc(OC(=O)C[S@@](=O)c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c1	1113210	CNCFYHUKDKJDPK-SANMLTNESA-N	411.457	2.328	5	50	HEBA	
O=C1C[C@@H](Sc2nnnn2-c2ccccc2)C(=O)N1c1ccc(F)c([N+](=O)[O-])c1	100937560	LXIDWEYMBLLXEF-CQSZACIVSA-N	414.378	2.134	5	50	HEBA	
Cn1cc(C(=N)O)c([C@@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1	328602981	DOTOAGBWQXXDJD-GFCCVEGCSA-N	401.423	2.458	5	50	HEBA	
CCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	19313448	WGDVSPVOMOHVNG-FQEVSTJZSA-N	424.457	2.448	5	50	HEBA	
COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1	4663680	DFDVNCBXJODJAV-UHFFFAOYSA-N	400.460	2.440	5	50	HEBA	
COC(=O)C1=C(C)NC(=O)[C@@]1(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F	101153456	AVWUQUDANLSUBE-CQSZACIVSA-N	416.337	2.494	5	50	HEBA	
CCN(CC)C(=O)CSc1nnc(SCc2ccc([N+](=O)[O-])c(F)c2)n1N	170605542	IQMUSGJYSNMPFH-UHFFFAOYSA-N	414.488	2.292	5	50	HEBA	
CC(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(C)c4ccccc4c3=O)c2)CC1	4687947	NINCBHAFKIRAIA-UHFFFAOYSA-N	407.430	2.271	5	50	HEBA	
CCOc1cccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	18284923	JDIFBWIOEDFCGI-FQEVSTJZSA-N	424.457	2.448	5	50	HEBA	
CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)N1N=Cc3ccccc3[C@@H]21	249680934	AYYWAUVPDVVMLV-ZSYWTGECSA-N	418.409	2.172	5	50	HEBA	
COc1ccc(COC(=O)c2nonc2NCn2nc(C)cc2C)cc1[N+](=O)[O-]	1068040	JDAZLXLCEBJTRK-UHFFFAOYSA-N	402.367	2.226	5	50	HEBA	
O=C(Cn1nc(C(F)(F)F)c(Cl)c1C1CC1)NCCn1cc([N+](=O)[O-])cn1	2776634	BKTLQTCRNLMRIJ-UHFFFAOYSA-N	406.752	2.354	5	50	HEBA	
CC[C@H](C)n1c(=N)c(C(=O)NCc2cccnc2)cc2c(=O)n3ccccc3nc21	100628119	XMHMNTODNCVQMP-AWEZNQCLSA-N	402.458	2.425	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1	851600	XXYYPNVOALDOIH-UHFFFAOYSA-N	405.432	2.176	5	50	HEBA	
COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1	100090994	HNHULONBMOKPMS-QRVBRYPASA-N	408.414	2.139	5	50	HEBA	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1Cc1ccccc1	229904919	DWEUHKZXUGFAPK-AVRDEDQJSA-N	420.425	2.385	5	50	HEBA	
C[C@@H](Nc1cccc(S(N)(=O)=O)c1[N+](=O)[O-])C1CCN(CC(F)(F)F)CC1	170603339	MJHLPMTUHQPWJV-SNVBAGLBSA-N	410.418	2.317	5	50	HEBA	
O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])cc1	32603810	CMRUCMMQIBGYDO-HKWRFOASSA-N	419.441	2.491	5	50	HEBA	
N=c1c(C(=O)NC[C@@H]2CCCO2)cc2c(=O)n3ccccc3nc2n1C1CCCC1	100622915	JQEAVWONIQJLNL-HNNXBMFYSA-N	407.474	2.153	5	50	HEBA	
CCN1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccc([N+](=O)[O-])cc1)N1N=Cc3ccccc3[C@@H]21	249694288	OUFAZERCQOPLKE-ZSYWTGECSA-N	418.409	2.172	5	50	HEBA	
Cn1ncc2c1ncn1nc(-c3cccc(Cn4cc(Cl)c([N+](=O)[O-])n4)c3)nc21	2802425	KNQHECSQSVYRAA-UHFFFAOYSA-N	409.797	2.484	5	50	HEBA	
O=C(c1cc(-c2ccccc2)[nH]n1)N1C[C@@H]2C[C@@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	1772492928	NXCGWIHSFLVTSL-ZFWWWQNUSA-N	405.414	2.406	5	50	HEBA	
COc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(OC)c1	1137621	ODCFVOTVGXRGFI-UHFFFAOYSA-N	409.420	2.017	5	50	HEBA	
Cc1nn(CC(=O)Nc2ncc([N+](=O)[O-])s2)c(C)c1I	4745452	PBZVRNLLGRZCTQ-UHFFFAOYSA-N	407.193	2.108	5	50	HEBA	
CSc1n[nH]c(-n2ccc3nc4ccn(Cc5ccco5)c(=O)c4cc3c2=O)n1	40398884	UNNNDARFCIEZKO-UHFFFAOYSA-N	406.427	2.182	5	50	HEBA	
COc1ccc(NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1	4774801	QGVBHJFCMHLXPH-VIFPVBQESA-N	401.659	2.332	5	50	HEBA	
COc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(C)(=O)=O)cc1	1144009	SUSMOPPKNPNYOL-LBPRGKRZSA-N	423.447	2.405	5	50	HEBA	
COCc1n[nH]c(-n2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)n1	40399004	FGDKSTGSMYPLLD-UHFFFAOYSA-N	414.425	2.013	5	50	HEBA	
O=[N+]([O-])c1cccc(N(C[C@H](O)CN2CCCC2)S(=O)(=O)c2ccccc2)c1	4819817	QLMULAKCGDECQS-GOSISDBHSA-N	405.476	2.247	5	50	HEBA	
CCOCCCn1c(=N)c(C(=O)NC2CCCC2)cc2c(=O)n3ccccc3nc21	100677354	PIGIPGJBDSSBGA-UHFFFAOYSA-N	409.490	2.228	5	50	HEBA	
O=c1c2cc3c(=O)n(-c4ccccc4)ccc3nc2ccn1CCCN1CCOCC1	38829191	BMYUDOBUYTXZLB-UHFFFAOYSA-N	416.481	2.423	5	50	HEBA	
CCOc1cccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)c1	95528635	JDIFBWIOEDFCGI-HXUWFJFHSA-N	424.457	2.448	5	50	HEBA	
O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1	674393	SNSQKUDWSQXXNK-UHFFFAOYSA-N	405.432	2.397	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1	19851196	UJRSELYEFANRFK-UHFFFAOYSA-N	418.475	2.060	5	50	HEBA	
CCOC(=O)C1=C(N)N=C(OCC)[C@H](C(=O)OCC)[C@H]1c1ccccc1[N+](=O)[O-]	101358222	ZLVUZXAWMQKQHC-DZGCQCFKSA-N	405.407	2.040	5	50	HEBA	
CCOC(=O)[C@@H](Cc1ccc(O)cc1)Nc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-]	22779880	RUORLWCSUKIQFD-CQSZACIVSA-N	419.346	2.493	5	50	HEBA	
O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccccc1N1CCOCC1	1113129	YVWZAQYDUBAGHQ-UHFFFAOYSA-N	416.459	2.323	5	50	HEBA	
COc1ccc(N(CC(=O)NC2CC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1	5017636	ZHDYIRCITLVZCG-UHFFFAOYSA-N	419.459	2.386	5	50	HEBA	
COc1ccc2c(ccn2CC(=O)N2C[C@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c1	409414011	ZMOMVYVQXWCOSC-GDBMZVCRSA-N	422.441	2.366	5	50	HEBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	230038631	VNWBFPSBFQSRSG-OXJNMPFZSA-N	400.435	2.327	5	50	HEBA	
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)N1CCOCC1	4412747	CESQTZJGZLEXEM-UHFFFAOYSA-N	405.432	2.176	5	50	HEBA	
O=c1/c(=C/c2ccccc2[N+](=O)[O-])sc2nc([C@H]3COc4ccccc4O3)nn12	13031130	DTFDUCAYCHDZSA-AVIKPIRVSA-N	408.395	2.119	5	50	HEBA	
CN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](c4ccccc4)C[C@@H]32)C1=O	245325961	IGIWMSQJNVGVPB-YBOAYWMSSA-N	420.425	2.208	5	50	HEBA	
COc1ccc(NC(=S)N[C@@H](NC=O)C(Cl)(Cl)Cl)c([N+](=O)[O-])c1	4774802	QGVBHJFCMHLXPH-SECBINFHSA-N	401.659	2.332	5	50	HEBA	
COCOc1cc([N+](=O)[O-])c(C(=O)NCc2cccnc2-n2cccn2)cc1OC	170595781	VNIDHUXNQHAECE-UHFFFAOYSA-N	413.390	2.097	5	50	HEBA	
COC(=O)C1=C(C(=O)O)NC(C)=C(C(=O)OC(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1	25759205	GETMHKKRBXPTJZ-AWEZNQCLSA-N	404.375	2.019	5	50	HEBA	
Cc1nc2sc(Cc3ccccc3)cc2c(=O)n1NC(=O)c1nn(C)cc1[N+](=O)[O-]	2786202	VDWKAXIEGGVLOG-UHFFFAOYSA-N	424.442	2.383	5	50	HEBA	
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)O)c2cccc([N+](=O)[O-])c2)cc1	3623279	RNNZLYJYMFRCDJ-INIZCTEOSA-N	407.404	2.048	5	50	HEBA	
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O	8861258	QWVLTYHZGVVMPD-JTQLQIEISA-N	402.388	2.079	5	50	HEBA	
COc1ccc2c(ccn2CC(=O)N2C[C@@H]3C[C@@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c1	1772492932	ZMOMVYVQXWCOSC-HOCLYGCPSA-N	422.441	2.366	5	50	HEBA	
COCCCn1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc21	100628028	VEQNNVQWCPXZSE-UHFFFAOYSA-N	409.490	2.228	5	50	HEBA	aggregator
COc1ccc([N+](=O)[O-])cc1N(CC(=O)NCCC1=CCCCC1)S(C)(=O)=O	5051112	WOSKGQULRMJSLG-UHFFFAOYSA-N	411.480	2.376	5	50	HEBA	
CCCN1C(=O)N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3C[C@H](C)O[C@@H](C)[C@H]32)C1=O	245329046	XFCKPAHRJYWKFD-PUDLSGOKSA-N	416.434	2.448	5	50	HEBA	
CCN1C(=O)[C@@H]2[C@H]3c4ccccc4C=NN3[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)[C@@H]2C1=O	249680932	AYYWAUVPDVVMLV-WJFTUGDTSA-N	418.409	2.172	5	50	HEBA	
COc1ccc(NC(=O)CN2CCN(c3ccccc3OC)CC2)c([N+](=O)[O-])c1	55556952	OTHSIHAXDWSHER-UHFFFAOYSA-N	400.435	2.373	5	50	HEBA	
O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1	893229	YCNWWRBGZNKTHN-UHFFFAOYSA-N	409.851	2.395	5	50	HEBA	
COCCOC(=O)C1=C(C)Nc2[nH]c(=S)[nH]c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1	8398416	AXPHJROUDHHVDC-CYBMUJFWSA-N	418.431	2.362	5	50	HEBA	
CCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CCc2ccccc2)c1=N	100642168	UHMGUMDYSUGSAD-UHFFFAOYSA-N	401.470	2.429	5	50	HEBA	
COC1(c2nc(CC(F)(F)F)no2)CCN(c2c([N+](=O)[O-])c(C)nn2C)CC1	225838583	VFPRYQDIUXJCTD-UHFFFAOYSA-N	404.349	2.267	5	50	HEBA	
Cc1nn(C(=O)CCCn2cc([N+](=O)[O-])cn2)c(C)c1I	1423958	LBSIWJDTJGFYOO-UHFFFAOYSA-N	403.180	2.330	5	50	HEBA	
O=C(/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	1133033	HMQWLRFVIBWSJZ-BJMVGYQFSA-N	417.443	2.268	5	50	HEBA	
COc1ccc(N([C@@H]2C=CS(=O)(=O)C2)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1153720	YJAWIONOQBXXPC-OAHLLOKOSA-N	424.456	2.109	5	50	HEBA	
COc1cccc2c1ccn2CC(=O)N1C[C@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	409413621	ONHLVODYGJVFBR-HUUCEWRRSA-N	422.441	2.366	5	50	HEBA	
CCCN1C(=O)N(C)C(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C1=O	4594356	VNWBFPSBFQSRSG-OXQOHEQNSA-N	400.435	2.327	5	50	HEBA	
CC[C@@H](OC(=O)CN1C(=O)C(=O)c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1	5007907	HUDFQTBOJDIANM-MRXNPFEDSA-N	411.370	2.085	5	50	HEBA	
Cc1nc(CO[C@H]2CCN(S(=O)(=O)c3cc(F)cc([N+](=O)[O-])c3)C2)cs1	170619742	LUAKNBSKKGPZAC-AWEZNQCLSA-N	401.441	2.479	5	50	HEBA	
Cc1ccc(N2C(=O)[C@@H]3[C@H]4O[C@@H]([C@H]5ON=C(c6ccc([N+](=O)[O-])cc6)[C@@H]45)[C@H]3C2=O)cc1	245247871	YNTRSSRUMSYCTL-CNFQODSWSA-N	419.393	2.209	5	50	HEBA	
Cc1ccc(C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)cc2)cc1[N+](=O)[O-]	1109020	IKGDRHQKEIEFAB-UHFFFAOYSA-N	418.475	2.237	5	50	HEBA	
CC(C)(C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	8916559	WPRDMTXBXZQICJ-UHFFFAOYSA-N	413.477	2.472	5	50	HEBA	
Cc1ccc(S(=O)(=O)N2C(=O)CC[C@H]2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1	4834252	AZDHOUQNFNDTTM-INIZCTEOSA-N	403.416	2.222	5	50	HEBA	
C[C@@](O)(CNC(=O)c1cccc([N+](=O)[O-])c1I)c1ccco1	170595097	YAHHONFCYLPKKO-CQSZACIVSA-N	416.171	2.430	5	50	HEBA	
CCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1	3878563	WGDVSPVOMOHVNG-HXUWFJFHSA-N	424.457	2.448	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H]2[C@@H](CCC(=O)N2C2CC2)C1	252517708	PHCUCRZMSHHYEJ-DEYYWGMASA-N	416.478	2.406	5	50	HEBA	
COC(=O)c1cc(NC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)cc(C(=O)OC)c1	2932610	OSHXJKHRFBVUOE-UHFFFAOYSA-N	416.342	2.207	5	50	HEBA	
COCCn1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cccc(C)c3nc21	100627910	OBWJIJMITBQPHF-UHFFFAOYSA-N	417.469	2.013	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O	239309806	HWDKDHPEMRUKBZ-ZWKOPEQDSA-N	407.810	2.448	5	50	HEBA	
Cc1cccn2c(=O)c3cc(C(=O)NC[C@H]4CCCO4)c(=N)n(C4CCCC4)c3nc12	100627865	GGMIFFPFTQSWTL-MRXNPFEDSA-N	421.501	2.461	5	50	HEBA	
CCCN1C(=O)NC(=O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CC[C@H](C)C[C@H]32)C1=O	247845777	SCIVFTCMBZHOHJ-SLSDUTBNSA-N	400.435	2.231	5	50	HEBA	
CCS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1	4162505	FZQUZQSRWWLKFF-UHFFFAOYSA-N	405.480	2.074	5	50	HEBA	
O=c1c2cc3c(=O)n(-c4ccccc4)ccc3nc2ccn1CCN1CCOCC1	36358145	SKOSYDOMJBEKOD-UHFFFAOYSA-N	402.454	2.033	5	50	HEBA	
O=C1N[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@@](O)(C(F)(F)F)N1	101882277	DITNEJNVBANGNY-WOSRLPQWSA-N	410.308	2.094	5	50	HEBA	
CC[C@@]1(c2cnn(C)c2)NC(=O)N(Cc2ccc(Br)c([N+](=O)[O-])c2)C1=O	225749748	NGVPVQUEOBCOKZ-INIZCTEOSA-N	422.239	2.448	5	50	HEBA	
CS(=O)(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1	4143456	OMWDEYGKDFOQSV-UHFFFAOYSA-N	416.503	2.239	5	50	HEBA	
O=C(c1cccs1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1	4144151	GIWNJCDDIJLUFM-UHFFFAOYSA-N	402.476	2.455	5	50	HEBA	
COCCCN1C(=O)c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3OC)cc2C1=O	4524285	CSWQQAHDJOXKIW-UHFFFAOYSA-N	413.386	2.488	5	50	HEBA	
CC(C)(C)OC(=O)N[C@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)C(=O)O	2384951	KPGVUOQMOHGHEW-GFCCVEGCSA-N	421.366	2.209	5	50	HEBA	biogenic,in-vitro
COC(=O)c1cc(C(=O)Nc2cc(C(=O)OC)ccc2C(=O)OC)cc([N+](=O)[O-])c1	2930997	GOZBHEJRVBDRMY-UHFFFAOYSA-N	416.342	2.207	5	50	HEBA	
O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NC[C@H]1CCCO1	839674	DPSXYTNWPKASEJ-QGZVFWFLSA-N	419.459	2.085	5	50	HEBA	
O=C(c1ccco1)N1CCN(c2cc(N3CCOCC3)c(F)cc2[N+](=O)[O-])CC1	4998263	ZKCORNCEFWDJNR-UHFFFAOYSA-N	404.398	2.126	5	50	HEBA	
O=C1NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1	229901215	FPTLILCQASKCBJ-UWJYYQICSA-N	406.398	2.389	5	50	HEBA	
Cc1cccn2c(=O)c3cc(C(=O)NC[C@@H]4CCCO4)c(=N)n(C4CCCC4)c3nc12	100627862	GGMIFFPFTQSWTL-INIZCTEOSA-N	421.501	2.461	5	50	HEBA	
COc1ccc(CN2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC	19561102	SFHALPZPWDHMOM-UHFFFAOYSA-N	421.475	2.119	5	50	HEBA	
COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1OC	2851378	QFEFWTWYDCYTOO-UHFFFAOYSA-N	423.447	2.325	5	50	HEBA	
COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3N3CCCN23)cc1	19169318	HNHULONBMOKPMS-OTWHNJEPSA-N	408.414	2.139	5	50	HEBA	
CC[C@H](C)N1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@H]32)C1=O	229901397	FTULSNBLRBFGCO-APXLUKDGSA-N	400.435	2.373	5	50	HEBA	
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	1129077	UCDVVSCJPRNUIV-UHFFFAOYSA-N	413.477	2.426	5	50	HEBA	
COc1ccc(C(=O)COC(=O)[C@H](C)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	1138057	HCCTUMVTDMCJOJ-NSHDSACASA-N	412.354	2.014	5	50	HEBA	
O=C(c1ccccc1)N1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=O)CC1	887162	SLFCFTLJYYQYHG-UHFFFAOYSA-N	407.382	2.299	5	50	HEBA	
CC(C)NC(=O)c1ccc(N(C)[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)c([N+](=O)[O-])c1	253430220	KCKGKCKCUZQALD-IRXDYDNUSA-N	422.482	2.149	5	50	HEBA	
COC(=O)C1=C(C)NC(=O)[C@]1(Nc1nc2ccc([N+](=O)[O-])cc2s1)C(F)(F)F	101153457	AVWUQUDANLSUBE-AWEZNQCLSA-N	416.337	2.494	5	50	HEBA	
CS(=O)(=O)CCOc1cccc(NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)c1	253630010	VCKJNPYRAREKNG-UHFFFAOYSA-N	404.404	2.147	5	50	HEBA	
COc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1	4663132	SKXSFSXFYGDBQH-UHFFFAOYSA-N	400.460	2.440	5	50	HEBA	
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(C(=S)Nc3cccc(F)c3)CC2)cc1	17093896	TXGXDDPXTSZLRK-UHFFFAOYSA-N	424.479	2.437	5	50	HEBA	
Brc1ccc(OC[C@@H]2C[N+]34CCO[B-]3(OCC4)O2)c(Br)c1	195815903	RGUGXDGXVYQLHG-HUZSNBGSSA-N	420.894	2.302	5	50	HEBA	
Cc1ccc(OCCN2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1	23754366	ODZNNILVYDQISJ-UHFFFAOYSA-N	405.476	2.289	5	50	HEBA	
O=C1N[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@](O)(C(F)(F)F)N1	226355665	JVUOXXNQZWNLDX-ZENOOKHLSA-N	410.308	2.094	5	50	HEBA	
O=[N+]([O-])c1ccc(S(=O)(=O)NNC(=S)NCc2ccc(Cl)cc2)cc1	2857566	AFRCNJIXNZXNSV-UHFFFAOYSA-N	400.869	2.106	5	50	HEBA	
O=C1NCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])[C@H]1Cc1nc2ccccc2o1	170600537	KEHAVXUXGVMHRX-FVNWOWOISA-N	406.398	2.319	5	50	HEBA	
COCCCNC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=N	100627836	KLUDJBBEYHGJDW-UHFFFAOYSA-N	409.490	2.400	5	50	HEBA	
CCCN1C(=O)NC(=O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCCC[C@H]32)C1=O	230038694	WHOQXNBDZSLJMB-JXFKEZNVSA-N	400.435	2.375	5	50	HEBA	
O=C(c1c[nH]nc1[N+](=O)[O-])N1CC[C@@](c2nc(-c3ccccn3)no2)(C(F)(F)F)C1	952892715	JBFHJYUCRLIRHV-OAHLLOKOSA-N	423.311	2.109	5	50	HEBA	
O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccn(Cc2c(F)c(F)c(F)c(F)c2F)n1	2112500	PFNHAIWKESGGGR-UHFFFAOYSA-N	416.266	2.370	5	50	HEBA	
O=C1N=C2N(CCN3CCOCC3)c3ccccc3N2/C1=C\c1ccc([N+](=O)[O-])o1	32124810	HSYHNALSDMEJIV-LGMDPLHJSA-N	409.402	2.084	5	50	HEBA	
CCN(CC)C[C@@H](O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1	2988705	IZTXFBBDRDTHOO-GOSISDBHSA-N	407.492	2.493	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(OCC(=O)N2CCOCC2)cc1	1154023	MSPPVASSRHGLHL-UHFFFAOYSA-N	415.402	2.093	5	50	HEBA	
COC(=O)CN1C(=S)N(C)C(=O)/C1=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	1107025	RXHOHSRGXFHEMQ-ZROIWOOFSA-N	401.400	2.428	5	50	HEBA	
O=C(OC[C@H]1CCCN1)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1	725375238	SMFWWJZJWCDTQC-OAHLLOKOSA-N	405.432	2.304	5	50	HEBA	
CS(=O)(=O)c1ccc([S@](=O)CC(=O)Oc2ccc(Cl)cc2)c([N+](=O)[O-])c1	6274892	URAUTQXEKHNNHE-VWLOTQADSA-N	417.848	2.365	5	50	HEBA	
O=C(Nc1ncc([N+](=O)[O-])s1)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O	8861259	QWVLTYHZGVVMPD-SNVBAGLBSA-N	402.388	2.079	5	50	HEBA	
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1	1174754	LMJNLXWCCNXTSP-RUDMXATFSA-N	417.443	2.268	5	50	HEBA	
Cc1cc([N+](=O)[O-])ccc1C(=O)Nc1c(N(C)C)cccc1S(=O)(=O)N(C)C	253433436	WWFZAOMFDDVMJD-UHFFFAOYSA-N	406.464	2.472	5	50	HEBA	
Cn1cc(C(=N)O)c([C@H]2CCCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2)n1	328602982	DOTOAGBWQXXDJD-LBPRGKRZSA-N	401.423	2.458	5	50	HEBA	
O=C(CCc1ccc2c(c1)CCO2)N1C[C@@H]2C[C@H](C1)c1ccc([N+](=O)[O-])c(=O)n1C2	409413966	XQXPJPTYVMHVAZ-DOTOQJQBSA-N	409.442	2.270	5	50	HEBA	biogenic
O=[N+]([O-])c1cccc(-c2nnc(-c3cccc(S(=O)(=O)N4CCOCC4)c3)o2)c1	990268	RXNCAVOPQARRDE-UHFFFAOYSA-N	416.415	2.333	5	50	HEBA	
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)N2CCOCC2)c1	797270	CLVJKEOCFRTWBJ-UHFFFAOYSA-N	419.459	2.485	5	50	HEBA	
O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2C=CC=NN12	103521070	JOOSAWWFWJAWFC-MKXGPGLRSA-N	416.393	2.192	5	50	HEBA	
Cc1nn(CCCNC(=O)CCn2cc(Cl)c([N+](=O)[O-])n2)cc1Br	2731041	FGMFTUIKRAKHMP-UHFFFAOYSA-N	419.667	2.309	5	50	HEBA	
COc1cc([N+](=O)[O-])ccc1NC(=S)N[C@H](NC=O)C(Cl)(Cl)Cl	4774803	KDPFVXLMKQUYHT-VIFPVBQESA-N	401.659	2.332	5	50	HEBA	
O=C(Cn1nc(-c2cccc([N+](=O)[O-])c2)c2ccccc2c1=O)NC[C@H]1CCCO1	1314794	WQOQJXYZMCEQFL-MRXNPFEDSA-N	408.414	2.267	5	50	HEBA	
COc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1	466655821	NXGZEZNLJVCXCH-GDBMZVCRSA-N	412.446	2.321	5	50	HEBA	
CS(=O)(=O)c1ccc2nc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])sc2c1	2209832	PNPOBRMXGJWRLW-UHFFFAOYSA-N	413.458	2.409	5	50	HEBA	
CC(C)(C)OC(=O)N[C@@H](Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cn1)C(=O)O	2539568	KPGVUOQMOHGHEW-LBPRGKRZSA-N	421.366	2.209	5	50	HEBA	biogenic,in-vitro
Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C[C@H]4CCCO4)c3nc12	100627420	GEUSROTXRJRQRV-MRXNPFEDSA-N	421.501	2.288	5	50	HEBA	
COc1ccccc1N1C(=O)C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O	18093519	SGJXIYTUANEXGE-SFHVURJKSA-N	410.430	2.058	5	50	HEBA	
O=C(CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)OCc1c(F)cccc1Cl	2850360	IKLBSFNRDTVMHB-UHFFFAOYSA-N	402.787	2.409	5	50	HEBA