smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])c1c(Br)ccc2nc([C@@H](O)[C@H](O)CO)[nH]c12	586889539	METQFCAFUKQVBH-MUWHJKNJSA-N	332.110	0.620	5	1	ECBF	
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@H]12)C(C)C	5442717	QSTHEUSPIBEICI-ZYMKNTQZSA-N	329.393	0.339	5	1	ECBF	
CO[C@@H]1[C@@H](O)[C@H]2c3cc4c(cc3C[N+]3([O-])CC=C([C@H]23)[C@H]1O)OCO4	238771414	XCWJDLNWWYNJGP-KRTQVOFJSA-N	333.340	0.386	5	1	ECBF	
CN1C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2[C@@]12NC(=O)NC2=O	13456005	IYCRWFVECZGJNO-LLVKDONJSA-N	325.668	0.718	5	1	ECBF	
CC(C)C[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	14724071	DRJLBGBNAVDWDI-AVOODALSSA-N	329.393	0.075	5	1	ECBF	
O=C(NCCCn1cnc([N+](=O)[O-])n1)c1cnc2ccccc2n1	84671990	WUVTWXOKSPFZLK-UHFFFAOYSA-N	327.304	0.950	5	1	ECBF	
CC(=O)NC[C@@H]1CN(c2ccc([S@@](C)=O)c([N+](=O)[O-])c2)C(=O)O1	40631464	IAGIPBQEKYOJDD-WYVULQQZSA-N	341.345	0.794	5	1	ECBF	
O=[N+]([O-])c1ccc(Nc2nc(NCCO)nc(NCCO)n2)cc1	28341874	BAINSNDEVCXGTC-UHFFFAOYSA-N	335.324	0.332	5	1	ECBF	
CC(=O)OC[C@@H]1OC=C[C@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O	26404755	DEVANSAYZNWCDM-SRVKXCTJSA-N	325.277	0.740	5	1	ECBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@@H](O)[C@@H](O)CO)[nH]c12	586889541	METQFCAFUKQVBH-RCOVLWMOSA-N	332.110	0.620	5	1	ECBF	
COCCOCCOCCOCCOC(=O)N1CC[N+](C)(C)CC1	71295599	OCJDUJAXNGTWSQ-UHFFFAOYSA-N	349.448	0.211	5	1	ECBF	
CNS(=O)(=O)c1cc(-c2nc3ncc([N+](=O)[O-])cc3[nH]2)n(C)c1	586947683	ZZVGXOPMNVYWJL-UHFFFAOYSA-N	336.333	0.780	5	1	ECBF	
CCOC(=O)CN1C(=O)C(=O)N(Cc2cccc([N+](=O)[O-])c2)C1=O	29558513	OHHUJRWGANFPIH-UHFFFAOYSA-N	335.272	0.449	5	1	ECBF	
CCOC(=O)CC[C@H](NC(=O)c1[nH]cnc1[N+](=O)[O-])C(=O)OCC	17217892	LQPKBADOUWEJPO-QMMMGPOBSA-N	342.308	0.323	5	1	ECBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccnc2[nH]1	587271882	IYUHOSIQKFNDPA-RYUDHWBXSA-N	343.299	0.899	5	1	ECBF	
Nc1nc(O)c2nc(Cc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n1	587263822	FPJIIUOZZPTBMS-UHFFFAOYSA-N	331.248	1.048	5	1	ECBF	
COc1ncnc(NCc2ccc(S(N)(=O)=O)cc2)c1[N+](=O)[O-]	58638498	OZWJHSDFZMDTAH-UHFFFAOYSA-N	339.333	0.653	5	1	ECBF	in-vitro
O=C(O)[C@@H](O)[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586893156	UXGYXOIZFFKLQT-YUMQZZPRSA-N	346.093	0.713	5	1	ECBF	
CC(=O)OC[C@H]1O[C@@H](n2ccnc2[N+](=O)[O-])C=C[C@@H]1OC(C)=O	26485929	VTVBDACELZOJQM-QJPTWQEYSA-N	325.277	0.740	5	1	ECBF	
CCOc1ccc(N[C@@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	13154718	JZIXSJLUBHNHOB-ONAGADSBSA-N	328.321	0.233	5	1	ECBF	
NS(=O)(=O)c1ccc(-n2nnnc2-c2ccc([N+](=O)[O-])cc2)cc1	73311331	SXCBTQDADLVWED-UHFFFAOYSA-N	346.328	0.885	5	1	ECBF	
Cc1nc2c([N+](=O)[O-])csc2c(=O)n1CC(=O)N1CCOCC1	1857591463	OJAYWDHHCLNENC-UHFFFAOYSA-N	338.345	0.533	5	1	ECBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)[C@H](O)CO)[nH]c12	586889536	METQFCAFUKQVBH-HZGVNTEJSA-N	332.110	0.620	5	1	ECBF	
CNC(=C[N+](=O)[O-])NCC[S@](=O)Cc1ccc(CN(C)C)o1	2356831686	SKHXRNHSZTXSLP-QFIPXVFZSA-N	330.410	0.475	5	1	ECBF	
O=C1N=c2ccc([N+](=O)[O-])cc2=C1c1[nH]c2ccc(O)cc2c1NO	140004146	AEJGMTBUVYUSKF-UHFFFAOYSA-N	338.279	0.942	5	1	ECBF	in-vivo
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N+](C)(C[C@@H]2O)[C@H]3C1)OCO5	95558485	SCXMPMHAJNIXOW-JIPQXYHZSA-N	332.376	0.822	5	1	ECBF	
O=c1[nH]c2cc(CN3CCC[C@@H](CO)C3)c([N+](=O)[O-])cc2[nH]c1=O	27762096	VKOYGLMLELEOPV-SECBINFHSA-N	334.332	0.329	5	1	ECBF	
CN1c2nc(-c3cccc([N+](=O)[O-])c3)cnc2C(N)=NS1(=O)=O	26968264	NZLNPHKFQWKAPL-UHFFFAOYSA-N	334.317	0.452	5	1	ECBF	
C[C@H]1[C@@H](C)N1C[C@@H](O)CNC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1	26568183	LMWPMGIOTDWJDR-MRMAMECOSA-N	325.321	0.197	5	1	ECBF	
Cc1cc2nc3c(=O)[nH]c(=O)nc-3n(CCCNC(=O)O)c2cc1C	95921115	SDVCPFDZIJESAH-UHFFFAOYSA-N	343.343	0.859	5	1	ECBF	in-vitro
CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc([N+](=O)[O-])cc1	27307523	PMVMUICNPVSACZ-UHFFFAOYSA-N	336.352	0.976	5	1	ECBF	
C[C@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277224	QZIKTOGPYMKUIV-SSDOTTSWSA-N	336.333	0.924	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1CC(=O)NS(=O)(=O)c1ccc(F)cc1	72116810	AWTAJVRCTGKUAG-UHFFFAOYSA-N	342.308	0.744	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[N@]2C[C@H](O)Cn1ccnc1[N+](=O)[O-]	1857621975	OVOMSZUNGGNMRM-QXIMGHOESA-N	338.364	0.568	5	1	ECBF	
CC(=O)OC[C@H]1OC=C[C@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O	26404758	DEVANSAYZNWCDM-TUAOUCFPSA-N	325.277	0.740	5	1	ECBF	
CN1C(=O)Nc2cc(Cl)c([N+](=O)[O-])cc2[C@]12NC(=O)NC2=O	13456008	IYCRWFVECZGJNO-NSHDSACASA-N	325.668	0.718	5	1	ECBF	
C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)[C@@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1	26568187	LMWPMGIOTDWJDR-OFTYQJFSSA-N	325.321	0.197	5	1	ECBF	
CCOC(=O)[C@H]1CC[C@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	13885726	OVOMSZUNGGNMRM-GSXWEEBESA-N	338.364	0.568	5	1	ECBF	
CC(C)C[C@H](NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)O	62146774	KBZMBDHZRRQVFT-XQQFMLRXSA-N	339.348	0.571	5	1	ECBF	
COC(=O)CCNC(=O)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	66104736	WDGIKDKAVWKAJM-UHFFFAOYSA-N	338.276	0.616	5	1	ECBF	
C[C@@](O)(C(=O)N1CCN(c2cc([N+](=O)[O-])ccn2)CC1)C(F)(F)F	26501910	LBMGZNMRHIRTRX-GFCCVEGCSA-N	348.281	0.952	5	1	ECBF	
COC[C@@H](O)Cn1cnc(I)c1[N+](=O)[O-]	28114728	ONRURMYBGPWDPS-YFKPBYRVSA-N	327.078	0.403	5	1	ECBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCS(=O)CC2)s1	40836676	SBHUAHIIUUSHEN-UHFFFAOYSA-N	328.379	0.416	5	1	ECBF	
CN1C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2[C@@]12NC(=O)NC2=O	13455980	PBJWOZLKMABXIV-LLVKDONJSA-N	325.668	0.718	5	1	ECBF	
O=c1ccc(=O)c2c1c1[nH]c3ccc(O)cc3c1c1c(=O)[nH]c(=O)c21	28710882	DCKZKNXQWSTPNW-UHFFFAOYSA-N	332.271	0.978	5	1	ECBF	
CCN1CCN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2C)CC1	200874887	ZZBVMVGNGIFCRZ-UHFFFAOYSA-N	331.376	0.979	5	1	ECBF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N@+](C)(C[C@@H]2O)[C@H]3C1)OCO5	254133063	SCXMPMHAJNIXOW-ZFLPSXFESA-N	332.376	0.822	5	1	ECBF	
CCOC(=O)N1CCN(C[C@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772647808	SBBOVNDINYZFIF-LBPRGKRZSA-N	341.368	0.235	5	1	ECBF	
O=C(O)C(=O)N[C@@H](CSCc1cccc([N+](=O)[O-])c1)C(=O)O	84653793	OBSYIMVMIJBTMQ-VIFPVBQESA-N	328.302	0.482	5	1	ECBF	in-vitro
O=C1C[C@H](OCc2cn(-c3ccc([N+](=O)[O-])cc3)nn2)[C@H]2CO[C@@H]1O2	1911576996	PJOMMKZRABQQNO-RRFJBIMHSA-N	346.299	0.775	5	1	ECBF	
C[C@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277103	PFCABVQMXQZFRV-SSDOTTSWSA-N	336.333	0.924	5	1	ECBF	
C[C@@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N(C)C	13863118	VXWMZNJXSNDLQK-VIFPVBQESA-N	331.350	0.676	5	1	ECBF	
N[C@@H](CC[P@](=O)(O)[C@@H](O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)O	1772644256	FVKWKGFWNCNANR-WRWORJQWSA-N	334.221	0.364	5	1	ECBF	
COC[C@H](O)Cn1cnc([N+](=O)[O-])c1I	28089274	GKXTXCVPQAQANT-RXMQYKEDSA-N	327.078	0.403	5	1	ECBF	
O=[N+]([O-])c1ccc(-c2nnc3nnc(N4CCOCC4)n3n2)cc1	1772612944	NBSPXUGXALSPEC-UHFFFAOYSA-N	328.292	0.326	5	1	ECBF	
CC(C)C[C@@](O)(C(=O)OC[C@H]1CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	35906181	KNPVEHMFXOGZAL-HJIUQIPCSA-N	331.409	0.155	5	1	ECBF	
Nc1ncc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1[N+](=O)[O-]	587268085	LCHOCTZRRUWZHJ-UHFFFAOYSA-N	334.317	0.763	5	1	ECBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)[C@H](O)CO)[nH]c12	586887150	HVLSYSDNTRNUMT-VXNVDRBHSA-N	332.110	0.620	5	1	ECBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1NC1=NCCN1	73313126	WMRNTLXXDVRKAM-UHFFFAOYSA-N	325.284	0.808	5	1	ECBF	
C/C=C1/C[N+]2(C)CC[C@]3(O)c4ccccc4N4[C@@H](CO)[C@H]1C[C@H]2[C@@]43O	13310813	CCFNQFGWBKGYLQ-RKQNVJMUSA-N	343.447	0.942	5	1	ECBF	biogenic,in-vitro
CN1CCN(c2ccc3c(c2)n2ncc([N+](=O)[O-])c2n[n+]3[O-])CC1	40943612	ZFHNGEAXMXWKHV-UHFFFAOYSA-N	329.320	0.176	5	1	ECBF	
CCOc1ccc(N[C@H]2O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c([N+](=O)[O-])c1	13154719	JZIXSJLUBHNHOB-QXVRGBBPSA-N	328.321	0.233	5	1	ECBF	
Cc1ccc(S(=O)(=O)NCCCn2cnc([N+](=O)[O-])n2)cc1	84689584	AHMXZHIYDRJXEX-UHFFFAOYSA-N	325.350	0.863	5	1	ECBF	
Cc1c(Sc2cccc([N+](=O)[O-])c2)n(OCCO)c(=O)[nH]c1=O	98084586	MRMUTTUDIDYYNY-UHFFFAOYSA-N	339.329	0.325	5	1	ECBF	
C[N+]1(C)CCN(C(=O)CCCCC(=O)N2CC[N+](C)(C)CC2)CC1	29464974	GUGOPIKONLZVBJ-UHFFFAOYSA-N	340.512	0.384	5	1	ECBF	
NC(=O)c1cc([N+](=O)[O-])c(NCCO)cc1NCc1cnc(N)nc1	95920641	STRAQIMXXYJKPS-UHFFFAOYSA-N	347.335	0.082	5	1	ECBF	in-vitro
O=[N+]([O-])c1ccc2c(c1)CCCO[C@]21O[C@H](CCO)C[C@H](O)[C@H]1O	199354683	IOVHUASIDTZIEY-BVUBDWEXSA-N	339.344	0.604	5	3	ECBF	
N=C(N)c1ccc(Nc2ncnc(NCC(N)=O)c2[N+](=O)[O-])cc1	473151897	SFNZGTGTCIBFGW-UHFFFAOYSA-N	330.308	0.310	5	1	ECBF	
C[C@H]1O[C@@](C)(Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O	15205778	PBTAQWCXTKDEJL-LDEZANTKSA-N	333.724	0.845	5	1	ECBF	
CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cncc([N+](=O)[O-])c2[nH]1	587202385	DIYCHLXCUMBAGV-QMMMGPOBSA-N	334.336	0.945	5	1	ECBF	
NC1=NC(=O)/C(=C2\CCNC(=O)c3[nH]c4c([N+](=O)[O-])cccc4c32)N1	70460186	ISYFANQBAGVSNZ-XFFZJAGNSA-N	340.299	0.365	5	1	ECBF	
CCOC(=O)[C@H]1CC[C@@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	169359330	OVOMSZUNGGNMRM-ISWQFJDLSA-N	338.364	0.568	5	1	ECBF	
Nc1nc(O)c2nc(COc3ccc([N+](=O)[O-])cc3C=O)[nH]c2n1	587269381	MIQQUGYIZGZXGG-UHFFFAOYSA-N	330.260	0.940	5	1	ECBF	
Nc1nc(O)c2nc(-c3cc([N+](=O)[O-])n(CC(F)(F)F)n3)[nH]c2n1	587093278	ZKUJTTJEAYOSJK-UHFFFAOYSA-N	344.213	0.975	5	1	ECBF	
CN(C)CCn1c(=O)c2cccc3c(=O)c4ccncc4n(c1=O)c32	27707061	NEXBKGZAKFJODN-UHFFFAOYSA-N	336.351	0.522	5	1	ECBF	
O=C(O)c1nc2cc(-n3cnc(CO)c3)c([N+](=O)[O-])cc2nc1O	13553638	DRLUXBUSKPFNHM-UHFFFAOYSA-N	331.244	0.620	5	1	ECBF	
O=C(NCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cnccn1	34809482	QPHXSESUBPTLRU-UHFFFAOYSA-N	342.359	0.894	5	1	ECBF	
OC[C@@H]1O[C@H](Oc2cccc3nc4c(O)cccc4nc23)[C@@H](O)[C@H]1O	2356722381	FVOWQABXUMZLHH-STECZYCISA-N	344.323	0.306	5	1	ECBF	
O=[N+]([O-])c1ccc2c(c1)CCO[C@@]21O[C@H](CCO)C[C@H](O)[C@H]1O	199354599	DIDPCCHMOSHRGR-FAAHXZRKSA-N	325.317	0.213	5	3	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	253853620	OVOMSZUNGGNMRM-XTSHZQFRSA-N	338.364	0.568	5	1	ECBF	
NCCNc1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCN)C2=O	40833989	NTBAUICMVSVDEZ-UHFFFAOYSA-N	343.343	0.673	5	1	ECBF	
CN1C(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2[C@]12NC(=O)NC2=O	13455983	PBJWOZLKMABXIV-NSHDSACASA-N	325.668	0.718	5	1	ECBF	
CC(=O)OCCn1c(Cc2ccc([N+](=O)[O-])cc2)nn(C(C)=O)c1=O	1650277	BMCZPRFRPXMGKV-UHFFFAOYSA-N	348.315	0.767	5	1	ECBF	
O=C1NC(=O)C(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)C(=O)N1	1772575409	WSUTVSGLXCRRNK-UHFFFAOYSA-N	349.284	0.125	5	1	ECBF	
CCCC(=O)O[C@H](CO)CO[P@@](=O)(O)OCC[N+](C)(C)C	38791434	AXIALKQETDKBNO-LLVKDONJSA-O	328.322	0.530	5	1	ECBF	
CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cncc([N+](=O)[O-])c2[nH]1	587202383	DIYCHLXCUMBAGV-MRVPVSSYSA-N	334.336	0.945	5	1	ECBF	
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CCC[C@@H]12)C(C)(C)O	15211068	HBLMREVMAXBIKQ-DYLCFMGLSA-N	329.393	0.484	5	1	ECBF	
CO[C@H]1O[C@@H]2CCN3C(=O)[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@H]1[C@@H]23	6002034	SUBQCFNTFGFEFN-MXOJCPGVSA-N	348.311	0.722	5	1	ECBF	
C[C@H](C(=O)O)N(Cc1ccccc1[N+](=O)[O-])S(=O)(=O)N(C)C	26378872	VXWMZNJXSNDLQK-SECBINFHSA-N	331.350	0.676	5	1	ECBF	
CN1c2nc(-c3ccc([N+](=O)[O-])cc3)cnc2C(N)=NS1(=O)=O	26978629	GAFMTFPVEMCLCT-UHFFFAOYSA-N	334.317	0.452	5	1	ECBF	
O=C(NCc1cn(Cc2ccc([N+](=O)[O-])cc2)nn1)c1cnccn1	1911578530	KGGRTPVLHFEWSM-UHFFFAOYSA-N	339.315	0.955	5	1	ECBF	
C[C@@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)N(C)C	13839998	GCHUGBRBONFHAI-VIFPVBQESA-N	331.350	0.676	5	1	ECBF	
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1ccnc1[N+](=O)[O-]	17216648	AEBYPBAGOZEPBI-UHFFFAOYSA-N	337.296	0.493	5	1	ECBF	
CO[C@H]1O[C@@H]2CCN3C(=O)[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]23	6002031	SUBQCFNTFGFEFN-WSGDXGOYSA-N	348.311	0.722	5	1	ECBF	
O=C(O)[C@@H](O)[C@@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586885256	BRKROGNOGFJGHW-SFYZADRCSA-N	346.093	0.713	5	1	ECBF	
O=C(O)CNCCNCc1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1	587229221	SFHDBQFJMGTFEY-UHFFFAOYSA-N	327.728	0.888	5	1	ECBF	
CC(C)[C@H](NC(=O)[C@H](N)[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(=O)O	62146779	GXFUKQPZYVQTRD-WOPDTQHZSA-N	325.321	0.181	5	1	ECBF	
CO[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)C	145373887	QSTHEUSPIBEICI-WRHXGLHUSA-N	329.393	0.339	5	1	ECBF	
NS(=O)(=O)c1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1	653861845	XGAOILXUBFKZJF-UHFFFAOYSA-N	329.319	0.346	5	1	ECBF	
NS(=O)(=O)c1cccc(NC(=O)Cn2ccnc2[N+](=O)[O-])c1	103290176	QXMCVZVPPBSJEO-UHFFFAOYSA-N	325.306	0.077	5	1	ECBF	
O=[N+]([O-])c1ccc(CNS(=O)(=O)CCN2CCOCC2)cc1	103249038	GKIQWIZORBWJDS-UHFFFAOYSA-N	329.378	0.346	5	1	ECBF	
O=c1[nH]c2cc(CN3CCC[C@H](CO)C3)c([N+](=O)[O-])cc2[nH]c1=O	27762103	VKOYGLMLELEOPV-VIFPVBQESA-N	334.332	0.329	5	1	ECBF	
CC(=O)OC[C@H]1OC=C[C@@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O	26404753	DEVANSAYZNWCDM-UTUOFQBUSA-N	325.277	0.740	5	1	ECBF	
O=[N+]([O-])c1cccc(CC(O)(P(=O)(O)O)P(=O)(O)O)c1	13643236	LEOJDEIONFJDDO-UHFFFAOYSA-N	327.122	0.139	5	1	ECBF	
O=c1[nH]c2cc([N+](=O)[O-])cc(CNCc3ccncc3)c2[nH]c1=O	27857146	XSKRZMVYVPICBP-UHFFFAOYSA-N	327.300	0.809	5	1	ECBF	
COC[C@@H](O)Cn1cnc([N+](=O)[O-])c1I	28089267	GKXTXCVPQAQANT-YFKPBYRVSA-N	327.078	0.403	5	1	ECBF	
O=C(Cn1cnc([N+](=O)[O-])n1)n1ncc2ccc(Cl)cc2c1=O	587653234	STPLQOIETOFETK-UHFFFAOYSA-N	334.679	0.890	5	1	ECBF	
CCn1cc(C(=O)O)c(=O)c2cc([N+](=O)[O-])c(N3CCNCC3)nc21	26823713	WBLCEOYUZQGYFA-UHFFFAOYSA-N	347.331	0.432	5	1	ECBF	
O=C(O)[C@@H](O)[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586885258	BRKROGNOGFJGHW-YUMQZZPRSA-N	346.093	0.713	5	1	ECBF	
CC(=O)OC[C@@H]1OC=C[C@@H](n2ccnc2[N+](=O)[O-])[C@H]1OC(C)=O	40685251	DEVANSAYZNWCDM-GRYCIOLGSA-N	325.277	0.740	5	1	ECBF	
Cn1cc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1C(=O)NCCC(=N)N	29413199	JIHDZAANWKAGFW-UHFFFAOYSA-N	348.319	0.834	5	1	ECBF	
CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccccc1[N+](=O)[O-]	169353648	FYEDQCOZVODQFT-NEPJUHHUSA-N	348.315	0.437	5	1	ECBF	
CN1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377815173	UHECAIIMTHMCCG-UHFFFAOYSA-N	327.277	0.243	5	1	ECBF	
O=C(O)C1CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])CC1	27747262	QWVJPVQYHMVDBA-UHFFFAOYSA-N	348.315	0.421	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)N2C[C@H](O)Cn1ccnc1[N+](=O)[O-]	102194017	OVOMSZUNGGNMRM-NTRZWRMASA-N	338.364	0.568	5	1	ECBF	
O=C(O)CN1C(=O)C(=O)N(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1=O	1891350	OKAMCOXTUSQTGW-UHFFFAOYSA-N	341.663	0.624	5	1	ECBF	
CCOC(=O)Cn1cnc(I)c1[N+](=O)[O-]	28099774	ORPVCWOIHYMEIB-UHFFFAOYSA-N	325.062	0.959	5	1	ECBF	
CNS(=O)(=O)N1CCC(c2nc3cncc([N+](=O)[O-])c3[nH]2)CC1	586955873	OPVMHRJWRUIMKM-UHFFFAOYSA-N	340.365	0.510	5	1	ECBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(O)ncnc3[nH]2)cc1	586920473	KUMAPTNLRFCECS-UHFFFAOYSA-N	335.301	0.941	5	1	ECBF	
O=[N+]([O-])c1c(Br)ccc2nc([C@H](O)[C@@H](O)CO)[nH]c12	586889537	METQFCAFUKQVBH-IMTBSYHQSA-N	332.110	0.620	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCN(c2ccco2)CC1	1772586978	ZMRNEVDHFQTQAW-CYBMUJFWSA-N	335.364	0.876	5	1	ECBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H](O)[C@H](O)CO)[nH]c12	586887147	HVLSYSDNTRNUMT-APPZFPTMSA-N	332.110	0.620	5	1	ECBF	
Nc1nc(O)c2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2n1	587270674	YFBXADWIFNJBOS-UHFFFAOYSA-N	339.275	0.797	5	1	ECBF	
NS(=O)(=O)c1nnc(N[S@@](=O)c2ccc([N+](=O)[O-])cc2)s1	28524727	BEULGLCETLDRNQ-HXUWFJFHSA-N	349.375	0.228	5	1	ECBF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N@+](C)(C[C@@H]2O)[C@H]3C1)OCO5	254133053	SCXMPMHAJNIXOW-HIOMWOBMSA-N	332.376	0.822	5	1	ECBF	
CC(=O)OC[C@@H]1OC=C[C@H](n2ccnc2[N+](=O)[O-])[C@H]1OC(C)=O	253695862	DEVANSAYZNWCDM-SDDRHHMPSA-N	325.277	0.740	5	1	ECBF	
N[C@@H](CCCCNC(=O)COc1ccc([N+](=O)[O-])cc1)C(=O)O	103272319	CQASVBGBLNBGFN-LBPRGKRZSA-N	325.321	0.672	5	1	ECBF	
O=C(O)c1cc(=O)c2c(cc(C(=O)O)c3c(=O)cc(C(=O)O)[nH]c32)[nH]1	169336978	PVUPDISMXIJZJV-UHFFFAOYSA-N	344.235	0.464	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2ncccn2)CC1	1772598178	GUMRTGKKXHHNAD-ZDUSSCGKSA-N	347.379	0.073	5	1	ECBF	
CN(C)CCC/N=c1\c2ccccc2n(C)c2[nH]c(=O)n(C)c(=O)c12	103939903	ACSJNMXHJOVJON-XDJHFCHBSA-N	341.415	0.571	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2ccccn2)CC1	1772619489	MZHRMWOGQFEWHT-AWEZNQCLSA-N	346.391	0.678	5	1	ECBF	
COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@@H]3O[C@@]34CC[N+]([O-])(C2)[C@@H]14	238786283	RXUCKNDISMIWQP-ZWWYESPZSA-N	349.383	0.915	5	1	ECBF	
COc1c2[nH]c(C(=O)O)cc(=O)c2cc2c(=O)cc(C(=O)O)[nH]c12	39221290	ZCDBYCSAARQFDF-UHFFFAOYSA-N	330.252	0.775	5	1	ECBF	
CC(=O)OC[C@H]1O[C@H](n2ccnc2[N+](=O)[O-])C=C[C@@H]1OC(C)=O	26485943	VTVBDACELZOJQM-TUAOUCFPSA-N	325.277	0.740	5	1	ECBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cnncc2[nH]1	587272119	KHNVLBLCKZNNLC-RYUDHWBXSA-N	344.287	0.294	5	1	ECBF	
COC(=O)c1ccc(=O)c2nc3c(=CO)c(O)c(C)c(=O)c3[nH]c12	2356818005	DPMHKBMRFUGOOD-UHFFFAOYSA-N	328.280	0.252	5	1	ECBF	
NS(=O)(=O)c1cn(CC(=O)c2ccc([N+](=O)[O-])cc2)ccc1=O	64553420	OVGUCXKVHNMXDX-UHFFFAOYSA-N	337.313	0.287	5	1	ECBF	
NS(=O)(=O)c1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1=O	64564369	GEDYQQXTTMSJSG-UHFFFAOYSA-N	340.273	0.301	5	1	ECBF	
O=c1[nH]/c(=C\c2ccccc2[N+](=O)[O-])c(=O)[nH]/c1=C\c1ccccc1	13904906	WWGGRJLUANNLHJ-HYQBVQLESA-N	335.319	0.629	5	1	ECBF	
CN1C(=O)Nc2c([N+](=O)[O-])cc(Cl)cc2[C@@]12NC(=O)NC2=O	13456028	SFABNCUJDPLZGV-LLVKDONJSA-N	325.668	0.718	5	1	ECBF	
COc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@H]2C(=O)O)c1	2502356	YRDIMIFQUOLUMO-JTQLQIEISA-N	330.318	0.841	5	1	ECBF	
O=[N+]([O-])c1cccc(-n2cc(-c3nc4c(O)nc(O)nc4[nH]3)nn2)c1	587270633	XHEMSUUHEAVBJY-UHFFFAOYSA-N	340.259	0.920	5	1	ECBF	
O=c1[nH]/c(=C\c2ccc([N+](=O)[O-])cc2)c(=O)[nH]/c1=C\c1ccccc1	13904904	RIXVFQQXDHZVMS-XCMCHEKJSA-N	335.319	0.629	5	1	ECBF	
O=[N+]([O-])c1ccc(CS[C@@H]2C[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1	95921647	GOFNWCLPLYAYCM-CYDRSHDDSA-N	329.374	0.292	5	1	ECBF	
NS(=O)(=O)c1ccc(NC(=O)Cn2ccnc2[N+](=O)[O-])cc1	103290169	HUFRGRVXHRXCPC-UHFFFAOYSA-N	325.306	0.077	5	1	ECBF	
CCCCC(=O)O[C@H](CO)CO[P@@](=O)(O)OCC[N+](C)(C)C	38791436	FUNVSMBQMVEBQX-GFCCVEGCSA-O	342.349	0.921	5	1	ECBF	
CC[N+]12CC[C@H](COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@H]1[C@H](O)CC2	238761084	LZVGZPQOSMEHKD-JSZMDIEQSA-N	330.445	0.287	5	1	ECBF	
CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1	169353652	UMLUHJGTEWXVLG-NEPJUHHUSA-N	348.315	0.437	5	1	ECBF	
O=[N+]([O-])c1ccc(ON[N+](=O)N2CCCNCC2)c([N+](=O)[O-])c1	138193863	MMZLLLPDYUBTSX-UHFFFAOYSA-N	327.277	0.291	5	1	ECBF	
N=c1[nH]cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc-2[nH]1	586920573	MYBSQTFTKJPYPK-UHFFFAOYSA-N	334.317	0.599	5	1	ECBF	
O=c1c2cc(O)ccc2n2nnc3ccc(NCCNCCO)c1c32	5732888	DMWBKWZMHBLROH-UHFFFAOYSA-N	339.355	0.533	5	1	ECBF	
O=C(O)c1nc2cc(N3CCC(O)CC3)c([N+](=O)[O-])cc2nc1O	13553633	ZQFPONXEYKXVBL-UHFFFAOYSA-N	334.288	0.903	5	1	ECBF	
COC(=O)C(C)(C)NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12	26569809	HKAJYMQIHJMPTP-UHFFFAOYSA-N	336.304	0.166	5	1	ECBF	
CC1=CC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)O1	653686884	AYFURZQJXAYOBF-UHFFFAOYSA-N	326.286	0.785	5	1	ECBF	
Cc1nc([N+](=O)[O-])cn1C[C@H](O)CN1CCN(c2ccccn2)CC1	1772622897	AREHRSUPCNVYTG-CQSZACIVSA-N	346.391	0.678	5	1	ECBF	
O=C(O)[C@H](O)[C@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586885255	BRKROGNOGFJGHW-JGVFFNPUSA-N	346.093	0.713	5	1	ECBF	
Cn1c(=O)c2nc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])[nH]c2n(C)c1=O	100913822	LRJOJEXAXGXRBD-UHFFFAOYSA-N	346.259	0.444	5	1	ECBF	
Cc1nc(N)[nH]c(=O)c1N1CCN(c2ccc([N+](=O)[O-])cc2)CC1	29555376	KSNDIDUJRNPZHM-UHFFFAOYSA-N	330.348	0.895	5	1	ECBF	
CO[C@@H]1O[C@@H]2CCN3C(=O)[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@H]1[C@H]23	6483316	SUBQCFNTFGFEFN-XRMRDTNMSA-N	348.311	0.722	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2ccc(S(N)(=O)=O)cc2[nH]1	587274913	WIDKAOZVPQIPMZ-UHFFFAOYSA-N	336.333	0.672	5	1	ECBF	
O=C(O)[C@H]1CCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	378655027	UGSHMDKNJUVIAX-MRVPVSSYSA-O	342.244	0.544	5	1	ECBF	
CC1(C)OC[C@H](CNc2nc3scnn3c(=O)c2[N+](=O)[O-])O1	1857605460	SHXUGKTWJDUUFV-LURJTMIESA-N	327.322	0.623	5	1	ECBF	
O=C(O)[C@H](O)[C@@H](O)c1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1	586885224	BRKROGNOGFJGHW-HTQZYQBOSA-N	346.093	0.713	5	1	ECBF	
CC(C)C[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	14724073	DRJLBGBNAVDWDI-GVOYHRGRSA-N	329.393	0.075	5	1	ECBF	biogenic,in-vitro
CC(=O)OC[C@@H]1OC=C[C@@H](n2ccnc2[N+](=O)[O-])[C@@H]1OC(C)=O	26404750	DEVANSAYZNWCDM-WOPDTQHZSA-N	325.277	0.740	5	1	ECBF	
COC(=O)[C@@H]1C(=O)[C@@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1C2[N+](=O)[O-]	2356820202	MVWKQIKDWOGLCO-WYUUTHIRSA-N	333.296	0.674	5	1	ECBF	
O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1CCNCCO	28228205	OKFPGMZIJXMKNP-UHFFFAOYSA-N	329.312	0.926	5	1	ECBF	
CCOC(=O)Cn1c(SC)nc2nc3ccccc3[n+]([O-])c2c1=O	101160707	ZONOUGFGLZCCGD-UHFFFAOYSA-N	346.368	0.863	5	1	ECBF	
Nc1ncc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1[N+](=O)[O-]	587267588	APZOZWDMGMNNMR-UHFFFAOYSA-N	334.317	0.763	5	1	ECBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ncc[nH]c-2n1	587273793	UZMQVNSVBAKYNR-UWVGGRQHSA-N	344.287	0.246	5	1	ECBF	
O=C(NCCn1ccnc1)c1cc(N2CC2)c([N+](=O)[O-])cc1[N+](=O)[O-]	26974677	KWBKISWHNHAIRB-UHFFFAOYSA-N	346.303	0.950	5	1	ECBF	
CN1CCN(c2ccc3c(c2)n2ncc([N+](=O)[O-])c2[nH][n+]3=O)CC1	377811503	URCPCMLAGSSIKY-UHFFFAOYSA-N	330.328	0.390	5	1	ECBF	
N[C@@H](C(=O)NCCCCCC(=O)O)[C@@H](O)c1ccc([N+](=O)[O-])cc1	40975986	SARUKRLNZDWYGW-KGLIPLIRSA-N	339.348	0.717	5	1	ECBF	
O=C(O)CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21	13445045	DRXNDLSRCBVINN-UHFFFAOYSA-N	344.283	0.863	5	1	ECBF	
CO[C@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440458	GJWASRCPTSMKSF-JTQLQIEISA-N	331.177	0.772	5	1	ECBF	
NS(=O)(=O)c1cn(CC(=O)c2cccc([N+](=O)[O-])c2)ccc1=O	64553934	NZLDMRQEQJHXDI-UHFFFAOYSA-N	337.313	0.287	5	1	ECBF	
O=[N+]([O-])c1ccc(S(=O)(=O)N2N=Cc3c(F)cccc3B2O)cc1	195048511	FUCJSVYINZIBKZ-UHFFFAOYSA-N	349.108	0.460	5	1	ECBF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N@@+](C)(C[C@@H]2O)[C@H]3C1)OCO5	254133057	SCXMPMHAJNIXOW-LJNMQGLUSA-N	332.376	0.822	5	1	ECBF	
OC[C@@H]1O[C@H](Oc2cccc3nc4c(O)cccc4nc23)[C@H](O)[C@H]1O	2356722380	FVOWQABXUMZLHH-SJWGOKEGSA-N	344.323	0.306	5	1	ECBF	
CCOC(=O)Cn1cnc([N+](=O)[O-])c1I	28017201	FTSQUJAQLMNFPO-UHFFFAOYSA-N	325.062	0.959	5	1	ECBF	
OC[C@@H]1O[C@H](Oc2cccc3nc4c(O)cccc4nc23)[C@@H](O)[C@@H]1O	2356722379	FVOWQABXUMZLHH-IEAZIUSSSA-N	344.323	0.306	5	1	ECBF	
O=C(O)[C@H]1C(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@@H]1C(=O)O	587970982	PXFXUXPYCZVUJF-IUCAKERBSA-N	336.216	0.878	5	1	ECBF	
CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccc([N+](=O)[O-])cc1	169353651	UMLUHJGTEWXVLG-RYUDHWBXSA-N	348.315	0.437	5	1	ECBF	
CO[C@H](C)[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@@H]12)C(C)C	4768940	QSTHEUSPIBEICI-MCAMCBDESA-N	329.393	0.339	5	1	ECBF	
O=c1c2ccccc2oc2cc(OC[C@@H](O)CNCCO)cc(O)c12	71295230	ABSQTCXZAMXHDN-NSHDSACASA-N	345.351	0.973	5	1	ECBF	
CCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2)CC1	377814557	SEKDLFFLXJREBU-UHFFFAOYSA-N	340.316	0.861	5	1	ECBF	
C[C@H](C(=O)O)N(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)N(C)C	27555113	GCHUGBRBONFHAI-SECBINFHSA-N	331.350	0.676	5	1	ECBF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)[N@@+](C)(C[C@@H]2O)[C@H]3C1)OCO5	254133060	SCXMPMHAJNIXOW-UZNKZKJOSA-N	332.376	0.822	5	1	ECBF	
COC(=O)[C@@H]1C[C@@H](O)CN1C(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	5848926	OZONEKRLBNENJU-KCJUWKMLSA-N	339.260	0.251	5	1	ECBF	
O=c1c(NC[C@@H](O)Cn2ccnc2[N+](=O)[O-])cnc2ccccn12	29562910	NXTVMCFFIXUZJO-SNVBAGLBSA-N	330.304	0.272	5	1	ECBF	
O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1nnn(-c3ccccc3)n1)C2	45299346	XUQAAWFFZUJHKW-NSHDSACASA-N	343.303	0.745	5	1	ECBF	
Nc1nc(O)c2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2n1	587263719	CSKIGBZLDLMVRD-LURJTMIESA-N	331.292	0.497	5	1	ECBF	
COC(=O)[C@H]1C(=O)[C@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1C2[N+](=O)[O-]	2356820200	MVWKQIKDWOGLCO-DDHJBXDOSA-N	333.296	0.674	5	1	ECBF	
C[n+]1c2cc(N)ccc2nc2c(C(=O)O)cc(S(=O)(=O)O)cc21	13308589	NBUSANFLZHRAMZ-UHFFFAOYSA-O	334.333	0.740	5	1	ECBF	
COC(=O)[C@@H]1C(=O)[C@H](C(=O)OC)[C@H]2c3ccccc3[C@H]1[C@H]2[N+](=O)[O-]	2356820201	MVWKQIKDWOGLCO-KVSVUVNWSA-N	333.296	0.674	5	1	ECBF	
C[C@@H]1O[C@@](C)(Oc2ccc([N+](=O)[O-])cc2Cl)[C@@H](O)[C@@H](O)[C@@H]1O	15205773	PBTAQWCXTKDEJL-AJCWKENBSA-N	333.724	0.845	5	1	ECBF	
CC(C)C[C@H](NC(=O)Cc1cc2c(cc1[N+](=O)[O-])OCO2)C(N)=O	28708919	DXIGNJWPGZGXNB-JTQLQIEISA-N	337.332	0.882	5	1	ECBF	
CN1C(=O)C(=O)N(C)[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C1=O	15120143	IBSHSLOEKHTIDM-NSHDSACASA-N	330.300	0.444	5	1	ECBF	
CCC(=O)n1c(=O)n(-c2ccc([N+](=O)[O-])cc2)c(=O)n1C(=O)CC	1648829	FLPMPZQQJFMRBL-UHFFFAOYSA-N	334.288	0.809	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCn1ccnc1[N+](=O)[O-]	49031218	AZCHRUXHCCULJI-UHFFFAOYSA-N	338.280	0.838	5	1	ECBF	
CC1(C)NC(=O)N(CCC[N+](C)(C)CCCS(=O)(=O)O)C1=O	1857581142	BXDRZNVNYZPHAM-UHFFFAOYSA-O	336.434	0.061	5	1	ECBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cnccc2[nH]1	587271292	BNUMINUGVGOCNW-STQMWFEESA-N	343.299	0.899	5	1	ECBF	
C[C@H]1[C@@H](C)N1C[C@@H](O)CNC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1	26568191	LMWPMGIOTDWJDR-LPXLHUPPSA-N	325.321	0.197	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2ccco2)CC1	1772586980	ZMRNEVDHFQTQAW-ZDUSSCGKSA-N	335.364	0.876	5	1	ECBF	
COC(=O)[C@@H]1C[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)CN1C(C)=O	40899455	GWMUMTFKARYGPQ-AAEUAGOBSA-N	335.316	0.487	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	169359329	OVOMSZUNGGNMRM-NDBYPRBKSA-N	338.364	0.568	5	1	ECBF	
O=[N+]([O-])c1ccc2c(c1)c(O)nn2CCOCCN1CCOCC1	40410976	UADASQHDTBSWDK-UHFFFAOYSA-N	336.348	0.999	5	1	ECBF	
CC(C)C[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@H](C)O	14724075	DRJLBGBNAVDWDI-XLRYDDMQSA-N	329.393	0.075	5	1	ECBF	
OC[C@@H]1O[C@H](Oc2cccc3nc4c(O)cccc4nc23)[C@H](O)[C@@H]1O	2356722378	FVOWQABXUMZLHH-DXEWXGHRSA-N	344.323	0.306	5	1	ECBF	
O=C(O)Cn1ccc(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O	13761141	SRSCMKAWNIMFBH-UHFFFAOYSA-N	339.691	0.705	5	1	ECBF	in-vitro
C[C@@H](c1nc2ccc(S(N)(=O)=O)cc2[nH]1)n1cc([N+](=O)[O-])cn1	587277105	PFCABVQMXQZFRV-ZETCQYMHSA-N	336.333	0.924	5	1	ECBF	
Cn1nccc1CS(=O)(=O)Cc1nc2cncc([N+](=O)[O-])c2[nH]1	586923871	ZJNKXEZLEXGARF-UHFFFAOYSA-N	336.333	0.715	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCN(c2ccccn2)CC1	1772619495	MZHRMWOGQFEWHT-CQSZACIVSA-N	346.391	0.678	5	1	ECBF	
O=C1c2cccc3c(NCCO)c([N+](=O)[O-])cc(c23)C(=O)N1CCO	34091222	DFJSPGATPGHSRS-UHFFFAOYSA-N	345.311	0.741	5	1	ECBF	
O=C(O)CN1C(=O)c2c(ccc3c([N+](=O)[O-])cccc23)S1(=O)=O	11536239	MBHJCWWOUYCTIN-UHFFFAOYSA-N	336.281	0.977	5	1	ECBF	
O=C(O)[C@H](O)[C@@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586893150	UXGYXOIZFFKLQT-HTQZYQBOSA-N	346.093	0.713	5	1	ECBF	
CC(=O)NC[C@H]1CN(c2ccc([S@@](C)=O)c([N+](=O)[O-])c2)C(=O)O1	40631466	IAGIPBQEKYOJDD-VCGICTTQSA-N	341.345	0.794	5	1	ECBF	
CN(C)/C=C(/c1ccc2c(O)nc(O)nc2n1)n1cc([N+](=O)[O-])cn1	587556699	ZHGZQTLXURXYHP-XFFZJAGNSA-N	343.303	0.949	5	1	ECBF	
O=C(CCCn1ccnc1[N+](=O)[O-])NCCn1cnc([N+](=O)[O-])c1	12971203	PHZOEJDOLMYIHZ-UHFFFAOYSA-N	337.296	0.493	5	1	ECBF	
Nc1nc(N)c(CCNc2cc(F)c(F)cc2[N+](=O)[O-])c(=O)[nH]1	29246271	OQFZBIBWLZFXAQ-UHFFFAOYSA-N	326.263	0.775	5	1	ECBF	
CNS(=O)(=O)c1cc(-c2nc3c([N+](=O)[O-])cncc3[nH]2)n(C)c1	586947307	LSMGOUQEEILGFF-UHFFFAOYSA-N	336.333	0.780	5	1	ECBF	
O=c1[nH]c2cc([N+](=O)[O-])cc(CNCc3ccccn3)c2[nH]c1=O	27857155	JYPDAPUMCGRVHB-UHFFFAOYSA-N	327.300	0.809	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CSC(=S)N1CCOCC1	1772624505	NGWWORGUYYMJJE-SNVBAGLBSA-N	346.434	0.811	5	1	ECBF	
O=C(O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21	6786	KTYABWSAGQKAPP-UHFFFAOYSA-N	330.256	0.473	5	1	ECBF	
CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	169353650	UMLUHJGTEWXVLG-VXGBXAGGSA-N	348.315	0.437	5	1	ECBF	
CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587202013	AJFQDYHHTLNRAG-JTQLQIEISA-N	334.336	0.945	5	1	ECBF	
CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccc([N+](=O)[O-])cc1	169353649	UMLUHJGTEWXVLG-NWDGAFQWSA-N	348.315	0.437	5	1	ECBF	
O=C(O)[C@@H]1[C@H](C(=O)O)[C@@H]1c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587970981	PXFXUXPYCZVUJF-AYMMMOKOSA-N	336.216	0.878	5	1	ECBF	
O=[N+]([O-])c1cc(NC(P(=O)(O)O)P(=O)(O)O)ccc1F	96286204	GSMGLRFAXIPFLS-UHFFFAOYSA-N	330.101	0.785	5	1	ECBF	
CC(=O)Nc1cc2c(cc1[N+](=O)[O-])nc(O)c1nc(C(=O)O)nn12	13532647	WSICKTBFTGIFKE-UHFFFAOYSA-N	332.232	0.548	5	1	ECBF	
CO[C@@H]1O[C@@H]2CCN3C(=O)[C@@H](OC(=O)c4ccc([N+](=O)[O-])cc4)[C@H]1[C@@H]23	6483317	SUBQCFNTFGFEFN-ZRTFPUAOSA-N	348.311	0.722	5	1	ECBF	
O=C(O)[C@H]1[C@H](c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)[C@H]1C(=O)O	587970983	PXFXUXPYCZVUJF-PSVAKVPMSA-N	336.216	0.878	5	1	ECBF	
O=C(O)CNCCNCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587229302	VBUSUNVDDJXWOR-UHFFFAOYSA-N	338.280	0.143	5	1	ECBF	
Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCS(=O)(=O)CC2)s1	40380781	LJZYAGHPVJFVAQ-UHFFFAOYSA-N	344.378	0.082	5	1	ECBF	
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cncnc2[nH]1	587271749	GSNOEDIXSTXKRM-QWRGUYRKSA-N	344.287	0.294	5	1	ECBF	
O=C(Nn1cnn2c(=O)c3ccccc3nc2c1=O)c1ccccc1	1650338	BEMQOXLEFBLLJX-UHFFFAOYSA-N	333.307	0.788	5	1	ECBF	
CC(=O)NC[C@H]1CN(c2ccc([S@](C)=O)c([N+](=O)[O-])c2)C(=O)O1	40631462	IAGIPBQEKYOJDD-SDWAUSNYSA-N	341.345	0.794	5	1	ECBF	
CN(C)CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc21	13759231	UCZDIWMRKIPCNJ-UHFFFAOYSA-N	344.331	0.345	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1CCNC(=O)Cn1c([N+](=O)[O-])cnc1C	12971191	KMCIIMXLGQMJCT-UHFFFAOYSA-N	337.296	0.329	5	1	ECBF	
COC(=O)NC(=O)C[C@@H]1C(=O)N(C)C(=O)c2ccc([N+](=O)[O-])cc21	13601347	HTELXKJIQZNNOT-JTQLQIEISA-N	335.272	0.563	5	1	ECBF	
CC1(C)Oc2cc([N+](=O)[O-])sc2[C@@H](N2CC(=O)NCC2=O)[C@@H]1O	27518066	FONBLWQNBGZJOH-PWSUYJOCSA-N	341.345	0.188	5	1	ECBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@@H](O)[C@@H](O)CO)[nH]c12	586887148	HVLSYSDNTRNUMT-CBAPKCEASA-N	332.110	0.620	5	1	ECBF	
Cc1c(Sc2ccccc2[N+](=O)[O-])n(OCCO)c(=O)[nH]c1=O	98084585	NGHQXYCXVSRXGT-UHFFFAOYSA-N	339.329	0.325	5	1	ECBF	
CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@H]1c1ccccc1[N+](=O)[O-]	169353647	FYEDQCOZVODQFT-RYUDHWBXSA-N	348.315	0.437	5	1	ECBF	
Nc1ncnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12	586920280	GVEMZEMECIXBKU-UHFFFAOYSA-N	334.317	0.817	5	1	ECBF	
NCCOCCOCCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587246942	ZMHVCELKVBFMQE-UHFFFAOYSA-N	339.308	0.914	5	1	ECBF	
CO[C@@H](c1cc([N+](=O)[O-])cc2nc(O)c(O)nc12)P(=O)(O)O	13440456	GJWASRCPTSMKSF-SNVBAGLBSA-N	331.177	0.772	5	1	ECBF	
C[N+]1(C)CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	377830162	HRPBZLRIMHYAHR-UHFFFAOYSA-N	342.312	0.387	5	1	ECBF	
O=c1c2ccccc2oc2cc(OC[C@H](O)CNCCO)cc(O)c12	71295229	ABSQTCXZAMXHDN-LLVKDONJSA-N	345.351	0.973	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@H]2[C@@H](C1)N2C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	13885725	OVOMSZUNGGNMRM-OPTJLIJBSA-N	338.364	0.568	5	1	ECBF	
[O-][N+]12CCC(CC1)[C@]1(CN=C(Nc3cc(-n4ccnc4)ncn3)O1)C2	139872361	NOQNGSRYXXBJGH-YPTUBRHUSA-N	341.375	0.937	5	1	ECBF	
COC1CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])CC1	27754409	YZXXMOHQFCBFOW-UHFFFAOYSA-N	334.332	0.735	5	1	ECBF	
O=[N+]([O-])c1ncn(CCCNS(=O)(=O)Cc2ccccc2)n1	84690452	RVXSSAIUGMTMLQ-UHFFFAOYSA-N	325.350	0.696	5	1	ECBF	
Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])cnc2[nH]1	586923173	GFFHCVDVTCMODH-UHFFFAOYSA-N	336.333	0.715	5	1	ECBF	
N[C@@H](CC[P@](=O)(O)[C@H](O)c1ccc([N+](=O)[O-])c(O)c1)C(=O)O	1772644255	FVKWKGFWNCNANR-CPCISQLKSA-N	334.221	0.364	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CN1CCN(c2ncccn2)CC1	1772598177	GUMRTGKKXHHNAD-CYBMUJFWSA-N	347.379	0.073	5	1	ECBF	
NS(=O)(=O)c1nnc(N[S@](=O)c2ccc([N+](=O)[O-])cc2)s1	28524728	BEULGLCETLDRNQ-FQEVSTJZSA-N	349.375	0.228	5	1	ECBF	
O=C(O)[C@H](O)[C@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586893152	UXGYXOIZFFKLQT-JGVFFNPUSA-N	346.093	0.713	5	1	ECBF	
CCOC(=O)[C@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccccc1[N+](=O)[O-]	169353646	FYEDQCOZVODQFT-VXGBXAGGSA-N	348.315	0.437	5	1	ECBF	
COc1cc(OCc2nc3c(O)nc(N)nc3[nH]2)ccc1[N+](=O)[O-]	587261677	FTCZMELNQDRUCN-UHFFFAOYSA-N	332.276	1.137	5	1	ECBF	
CCOC(=O)[C@@H]1C(=O)NC(NC(C)=O)=N[C@@H]1c1ccccc1[N+](=O)[O-]	169353645	FYEDQCOZVODQFT-NWDGAFQWSA-N	348.315	0.437	5	1	ECBF	
CN1C(=O)Nc2c([N+](=O)[O-])cc(Cl)cc2[C@]12NC(=O)NC2=O	13456031	SFABNCUJDPLZGV-NSHDSACASA-N	325.668	0.718	5	1	ECBF	
O=C(O)[C@@H]1CCCN1[N+](=O)NOc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	378655028	UGSHMDKNJUVIAX-QMMMGPOBSA-O	342.244	0.544	5	1	ECBF	
CNC(=C[N+](=O)[O-])NCC[S@@](=O)Cc1ccc(CN(C)C)o1	2356831685	SKHXRNHSZTXSLP-JOCHJYFZSA-N	330.410	0.475	5	1	ECBF	
C[C@@H](c1nc2cccc(S(N)(=O)=O)c2[nH]1)n1cc([N+](=O)[O-])cn1	587277225	QZIKTOGPYMKUIV-ZETCQYMHSA-N	336.333	0.924	5	1	ECBF	
COC[C@H](O)Cn1cnc(I)c1[N+](=O)[O-]	28114734	ONRURMYBGPWDPS-RXMQYKEDSA-N	327.078	0.403	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1C[C@H](O)CSC(=S)N1CCOCC1	1772624503	NGWWORGUYYMJJE-JTQLQIEISA-N	346.434	0.811	5	1	ECBF	
NC(=O)NCCC[C@H](N)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	587258679	BAWGDJRCWJGCLX-LURJTMIESA-N	337.296	0.828	5	1	ECBF	
O=C(CCNC(=O)c1cccc([N+](=O)[O-])c1)Nc1nc(O)ncc1F	1857578876	OMBSRYQHVJYRRM-UHFFFAOYSA-N	349.278	0.988	5	1	ECBF	
N[C@@H](CP(=O)(O)O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586919583	BWQKIAMKVZINEQ-BYPYZUCNSA-N	331.181	0.557	5	1	ECBF	
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n([C@H]2CCNC2)c1=O	13759235	WLVMJRKGHNDTQI-VIFPVBQESA-N	342.315	0.318	5	1	ECBF	
O=C(O)c1cc(=O)c2cc3c(=O)cc(C(=O)O)[nH]c3c(C(=O)O)c2[nH]1	39221294	BIPBNCPNPZONKO-UHFFFAOYSA-N	344.235	0.464	5	1	ECBF	
O=[N+]([O-])c1ccc(-c2nnc(N3CCS(=O)(=O)CC3)s2)o1	40979292	SUNUMAWCUIYWTC-UHFFFAOYSA-N	330.347	0.941	5	1	ECBF	
O=[N+]([O-])c1cccc(COCNc2n[n+]([O-])c3ccccc3[n+]2[O-])c1	102819176	DCBGVSBKNARUOF-UHFFFAOYSA-N	343.299	0.996	5	1	ECBF	
O=c1c(NC[C@H](O)Cn2ccnc2[N+](=O)[O-])cnc2ccccn12	29562906	NXTVMCFFIXUZJO-JTQLQIEISA-N	330.304	0.272	5	1	ECBF	
COC(=O)NC(=O)C[C@H]1C(=O)N(C)C(=O)c2ccc([N+](=O)[O-])cc21	13601349	HTELXKJIQZNNOT-SNVBAGLBSA-N	335.272	0.563	5	1	ECBF	
C[C@H]1[C@@H](C)N1C[C@H](O)CNC(=O)[C@H]1O[C@@H]1c1ccc([N+](=O)[O-])o1	26568195	LMWPMGIOTDWJDR-AWZCIBDNSA-N	325.321	0.197	5	1	ECBF	
N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2c(O)nc(O)nc2[nH]1	587265661	WLBUZHINMQHKGE-LURJTMIESA-N	332.276	0.620	5	1	ECBF	
O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3cnnc(O)c3[nH]2)cc1	586920285	HBZCHKWYGOMNHI-UHFFFAOYSA-N	335.301	0.941	5	1	ECBF	
CC(C)C[C@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@@H]12)[C@@H](C)O	14724069	DRJLBGBNAVDWDI-HLLMZBCASA-N	329.393	0.075	5	1	ECBF	biogenic,in-vitro
COc1ccc([N+](=O)[O-])c(S(=O)(=O)N2CCC[C@@H]2C(=O)O)c1	2502357	YRDIMIFQUOLUMO-SNVBAGLBSA-N	330.318	0.841	5	1	ECBF	
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@@H](O)[N+](C)(C[C@@H]2O)[C@H]3C1)OCO5	95558486	SCXMPMHAJNIXOW-LZIKIZBNSA-N	332.376	0.822	5	1	ECBF	
O=C(O)[C@H]1CCCN1Cc1cc2[nH]c(=O)c(=O)[nH]c2cc1[N+](=O)[O-]	27752096	SGLRQKCXYBFPSJ-SNVBAGLBSA-N	334.288	0.174	5	1	ECBF	
O=C(O)COCC(=O)Cc1cc(SCCO)cc([N+](=O)[O-])c1	473084929	UWADXEUNNKESNO-UHFFFAOYSA-N	329.330	0.892	5	1	ECBF	
CCCC(=O)OC[C@@H](O)CO[P@@](=O)(O)OCC[N+](C)(C)C	33822426	YOLSCEBOFNSEKU-LLVKDONJSA-O	328.322	0.530	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[N@@]2C[C@H](O)Cn1ccnc1[N+](=O)[O-]	1857621976	OVOMSZUNGGNMRM-XUPNWQEMSA-N	338.364	0.568	5	1	ECBF	
CC(=O)NC[C@@H]1CN(c2ccc([S@](C)=O)c([N+](=O)[O-])c2)C(=O)O1	40631461	IAGIPBQEKYOJDD-DJNLSKAYSA-N	341.345	0.794	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)N2C[C@H](O)Cn1ccnc1[N+](=O)[O-]	253853618	OVOMSZUNGGNMRM-KRRYBSKOSA-N	338.364	0.568	5	1	ECBF	
CC(NNc1ccc([N+](=O)[O-])cc1)=C1C(=O)N(C)C(=O)N(C)C1=O	1857747985	OWXRLZLQGGOESC-UHFFFAOYSA-N	333.304	0.836	5	1	ECBF	
O=C(O)C1CCN(Cc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)CC1	6998	WIWBGWRWQPAKBS-UHFFFAOYSA-N	348.315	0.421	5	1	ECBF	
O=[N+]([O-])c1cc(Br)cc2nc([C@H](O)[C@@H](O)CO)[nH]c12	586887149	HVLSYSDNTRNUMT-IONNQARKSA-N	332.110	0.620	5	1	ECBF	
CN1c2ncc(-c3cccc([N+](=O)[O-])c3)nc2C(N)=NS1(=O)=O	26978822	IQGKTTCCKHBPQW-UHFFFAOYSA-N	334.317	0.452	5	1	ECBF	
O=C(O)CN1C(=O)c2c(ccc3cccc([N+](=O)[O-])c23)S1(=O)=O	11536238	BDGULYBVFQFDLL-UHFFFAOYSA-N	336.281	0.977	5	1	ECBF	
Cc1ncc([N+](=O)[O-])n1Cc1nc2cccc(S(N)(=O)=O)c2[nH]1	587274481	PAONAFDVAWSDFL-UHFFFAOYSA-N	336.333	0.672	5	1	ECBF	
N[C@@H](CSc1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O	58638409	HZVLUUGPGJKXHN-YFKPBYRVSA-N	332.250	0.915	5	1	ECBF	in-vitro
CC1(C)OC[C@@H](CNc2nc3scnn3c(=O)c2[N+](=O)[O-])O1	1857605461	SHXUGKTWJDUUFV-ZCFIWIBFSA-N	327.322	0.623	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[N@@]2C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	1857621974	OVOMSZUNGGNMRM-DZJNOPEPSA-N	338.364	0.568	5	1	ECBF	
CN(C)S(=O)(=O)CCc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1	586931625	GXQZIUYZLRYZKN-UHFFFAOYSA-N	343.321	0.813	5	1	ECBF	
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n([C@@H]2CCNC2)c1=O	13759233	WLVMJRKGHNDTQI-SECBINFHSA-N	342.315	0.318	5	1	ECBF	
O=c1[nH]c2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc(O)cc3)nc12	13580749	BGYDYJLTWYKNRX-UHFFFAOYSA-N	339.267	0.941	5	1	ECBF	
COCCOCCOCCOCCOC(=O)NCC[N+](C)(C)C	71282095	KLTIOIOFRWQYJM-UHFFFAOYSA-O	337.437	0.115	5	1	ECBF	
OC[C@H]1O[C@H](Oc2cccc3nc4c(O)cccc4nc23)[C@@H](O)[C@@H]1O	103239334	FVOWQABXUMZLHH-VZEFYGNVSA-N	344.323	0.306	5	1	ECBF	
CCN1c2ncc(-c3ccc([N+](=O)[O-])cc3)nc2C(N)=NS1(=O)=O	26971342	OYWNGHDKINUMOM-UHFFFAOYSA-N	348.344	0.842	5	1	ECBF	
CC(=O)OCCCCNc1nc2scnn2c(=O)c1[N+](=O)[O-]	1857549668	QMELPGOEEXMOJL-UHFFFAOYSA-N	327.322	0.814	5	1	ECBF	
CCc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)CC(=O)O	6853	JASCMFDYTJFEAR-UHFFFAOYSA-N	336.304	0.203	5	1	ECBF	
CCOC(=O)N1CCN(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1	1772647807	SBBOVNDINYZFIF-GFCCVEGCSA-N	341.368	0.235	5	1	ECBF	
O=C1N=c2ccc(C(=O)O)cc2=C1NNc1ccccc1[N+](=O)[O-]	137813348	YKPFDKBEUPOBMR-UHFFFAOYSA-N	326.268	0.178	5	1	ECBF	
CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])cnc3[nH]2)CC1	586954947	BOUNHSTWQXNHCP-UHFFFAOYSA-N	340.365	0.510	5	1	ECBF	
CC1=CC(=O)N(CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)O1	299827192	GPFJEIGENNWDHM-UHFFFAOYSA-N	326.286	0.785	5	1	ECBF	
CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])cnc2[nH]1	587202014	AJFQDYHHTLNRAG-SNVBAGLBSA-N	334.336	0.945	5	1	ECBF	
CCOC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[N@]2C[C@@H](O)Cn1ccnc1[N+](=O)[O-]	1857621977	OVOMSZUNGGNMRM-YVHNNKAESA-N	338.364	0.568	5	1	ECBF	
Cc1nc([N+](=O)[O-])cn1C[C@@H](O)CN1CCN(c2ccccn2)CC1	1772622896	AREHRSUPCNVYTG-AWEZNQCLSA-N	346.391	0.678	5	1	ECBF	
O=C(O)[C@@H](O)[C@@H](O)c1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1	586893154	UXGYXOIZFFKLQT-SFYZADRCSA-N	346.093	0.713	5	1	ECBF