smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=[N+]([O-])[C@@H]1O[C@@H]2[C@H](O)CO[C@@H]2[C@@H]1O	687762776	ICSGNSAOQIGBSZ-AIECOIEWSA-N	191.139	-1.891	5	10	AABE	
O=C(C1CNC1)N1CC([N+](=O)[O-])C1	1883147373	RPAPCAILHVUGKP-UHFFFAOYSA-N	185.183	-1.307	5	10	AABE	
C[N+](C)(C)[C@H](O)[C@H](O)CC(=O)O	115499289	DZPFJAKFIHWWDD-IYSWYEEDSA-O	178.208	-1.153	5	10	AABE	
Cn1ncn(CC[N+](=O)[O-])c1=O	307565626	CICGGCWREQWJFV-UHFFFAOYSA-N	172.144	-1.142	5	10	AABE	
O=C(O)C(=O)N1CC([N+](=O)[O-])C1	1881204388	JEKRXNVIJDCVKL-UHFFFAOYSA-N	174.112	-1.442	5	10	AABE	
O=[N+]([O-])[C@H](O)[C@@](O)(CO)[N+](=O)[O-]	141318314	ROCADRLEZNOROK-GBXIJSLDSA-N	182.088	-2.461	5	10	AABE	
Cn1nc([N+](=O)[O-])nc1N1CC(O)C1	1955359479	HHVRPRDWYYTANP-UHFFFAOYSA-N	199.170	-1.096	5	10	AABE	
O=[N+]([O-])CC[C@H](O)[C@H](O)[C@H](O)CO	687756928	FQBACKFGWFKTEG-JKUQZMGJSA-N	195.171	-2.272	5	10	AABE	
C[C@@H]([N+](=O)[O-])C1(O)CNC1	116327949	OESYPUAXISIGLV-SCSAIBSYSA-N	146.146	-1.014	5	10	AABE	
Cn1nnn(CC[N+](=O)[O-])c1=O	901581318	GJXLSIOBECGUJF-UHFFFAOYSA-N	173.132	-1.747	5	10	AABE	
N[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	306647984	PVUPCXWZXLTQBY-BGPJRJDNSA-N	185.183	-1.133	5	10	AABE	
O=C(NC1CNC1)[C@H]1C[C@H]1[N+](=O)[O-]	307531573	XRRYHCUMOCJPNV-NTSWFWBYSA-N	185.183	-1.260	5	10	AABE	
N=C(NC/C=C/[C@@H](N)CO)[N+](=O)[O-]	687756548	XFELHSUWQOOQKM-INIHDHCDSA-N	188.187	-1.337	5	10	AABE	
C[C@@H]1O[C@H](C[N+](=O)[O-])[C@H](O)[C@@H]1O	687762919	RXOWDIXKLLEFLK-KCDKBNATSA-N	177.156	-1.228	5	10	AABE	
NCC=CC(=O)N1CC([N+](=O)[O-])C1	1883147980	UUVGIJOWBUNKEB-UHFFFAOYSA-N	185.183	-1.011	5	10	AABE	
Cn1nnnc1CN1CC([N+](=O)[O-])C1	1888892156	MYTKAXBKWDKNEP-UHFFFAOYSA-N	198.186	-1.329	5	10	AABE	
[BH3-][N@@+]12CCC[C@@H](C1)[C@](O)(CN)C2	306835911	SBUTWWIZCUZIKI-LAEOZQHASA-N	170.065	-1.803	5	10	AABE	
NS(=O)(=O)N1CC([N+](=O)[O-])C1	1880384972	LVJHMIWKMVSBTG-UHFFFAOYSA-N	181.173	-1.849	5	10	AABE	
C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C(=O)NO	385474859	AMKKFEFAJDVSIK-FCAWWPLPSA-N	195.171	-3.045	5	10	AABE	
COC(=O)c1[nH]nc([N+](=O)[O-])[n+]1[O-]	306814536	BEKOOIQLKWHLJG-UHFFFAOYSA-N	188.099	-1.262	5	10	AABE	
C[C@@H](O)[C@H](O)[C@@H](O)[C@H](O)C[N+](=O)[O-]	687757142	KLJWLHWFCLMOPV-ZXXMMSQZSA-N	195.171	-2.273	5	10	AABE	
N[C@@H]1C[C@@H]1NC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	306647988	PVUPCXWZXLTQBY-FSIIMWSLSA-N	185.183	-1.133	5	10	AABE	
O=[N+]([O-])[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O	687756831	MLLGPLISSSHYMU-GNFDWLABSA-N	193.155	-2.521	5	10	AABE	
O=[N+]([O-])[C@H]1CNNN1	212552569	CSQKVNLSJRNLFY-REOHCLBHSA-N	118.096	-1.798	5	10	AABE	
CN/C(=C/[N+](=O)[O-])NCCO	224597006	ZYTCEMCJCXDIDE-PLNGDYQASA-N	161.161	-1.137	5	10	AABE	
O=[N+]([O-])c1c(NCCO)no[n+]1[O-]	687728010	UFWVDNYTTFYOBY-UHFFFAOYSA-N	190.115	-1.380	5	10	AABE	
Cn1[nH]c([N+](=O)[O-])nc1=N[C@@H]1C[C@@H]1N	1955368655	WLPWHINMMTYHKR-IUYQGCFVSA-N	198.186	-1.343	5	10	AABE	
N[C@H]1COC[C@H]1N1CC([N+](=O)[O-])C1	1883134484	RLLFGNWEKVXDIX-NKWVEPMBSA-N	187.199	-1.327	5	10	AABE	
O=C(NC1CNC1)[C@@H]1C[C@@H]1[N+](=O)[O-]	307531575	XRRYHCUMOCJPNV-RITPCOANSA-N	185.183	-1.260	5	10	AABE	
COC[C@H](O)CN1CC([N+](=O)[O-])C1	1883147177	QXRPIHZKPSTSHH-SSDOTTSWSA-N	190.199	-1.045	5	10	AABE	
O=[N+]([O-])C(F)(CO)CO	39268371	NXQDQZXGEJSMRQ-UHFFFAOYSA-N	139.082	-1.087	5	10	AABE	
NC(=O)[C@@H]1CCN1CC[N+](=O)[O-]	1923835414	TZRPREGLCKOTRF-YFKPBYRVSA-N	173.172	-1.177	5	10	AABE	
O=[N+]([O-])[C@H]1[C@H](O)[C@H]2OC[C@@H](O2)[C@@H]1O	687762902	KAQJDOPSKBREPP-PQMKYFCFSA-N	191.139	-1.891	5	10	AABE	
CO[C@H]1OC[C@H](O)[C@@H]([N+](=O)[O-])[C@@H]1O	687757866	POIMMYHTTPMTAF-FSIIMWSLSA-N	193.155	-1.644	5	10	AABE	
O=C(O)C(C(=O)O)[N+](=O)[O-]	104715959	KJBJCAJCBCPBGV-UHFFFAOYSA-N	149.058	-1.199	5	10	AABE	
C[N+](C)(C)[C@@H](O)[C@@H](O)CC(=O)O	115499282	DZPFJAKFIHWWDD-FSPLSTOPSA-O	178.208	-1.153	5	10	AABE	
N[C@@H](C(=O)O)c1nc([N+](=O)[O-])n[nH]1	107132434	HNYNWMAVKUGYEJ-PVQJCKRUSA-N	187.115	-1.203	5	10	AABE	
N[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	306647982	PVUPCXWZXLTQBY-ARQDHWQXSA-N	185.183	-1.133	5	10	AABE	
O=C(O)[C@@H](CC(O)O)C[N+](=O)[O-]	687750132	WKGNFBIOYMLMIT-VKHMYHEASA-N	179.128	-1.335	5	10	AABE	
C[C@@H]1O[C@H](C[N+](=O)[O-])[C@H](O)[C@H]1O	687762918	RXOWDIXKLLEFLK-FSIIMWSLSA-N	177.156	-1.228	5	10	AABE	
C[N+](C)(C)C[C@@H](O)CC(N)=O	901338	KWIXGIMKELMNGH-LURJTMIESA-O	161.225	-1.071	5	10	AABE	in-vitro
O=[N+]([O-])C1CN(C[C@H](O)CO)C1	1881205157	PUFOZBYQWHHHKF-LURJTMIESA-N	176.172	-1.700	5	10	AABE	
O=[N+]([O-])[C@H](O)[C@](O)(CO)[N+](=O)[O-]	141318157	ROCADRLEZNOROK-PWNYCUMCSA-N	182.088	-2.461	5	10	AABE	
CCS(=O)(=O)NCCC(=O)NO	393345827	ANVHCUJWQJPZGD-UHFFFAOYSA-N	196.228	-1.179	5	10	AABE	
N=C(N)[C@H](c1nn[nH]n1)[N+](=O)[O-]	687808065	XSJAWKZAAVGAIO-PVQJCKRUSA-N	171.120	-1.547	5	10	AABE	
O=[N+]([O-])C1CN([C@H]2COC[C@H]2O)C1	1883145109	JZDPSTKGQFVOTF-NKWVEPMBSA-N	188.183	-1.293	5	10	AABE	
O=[N+]([O-])C(CO)([N+](=O)[O-])[N+](=O)[O-]	95793740	JGAGBYRIJUMEDB-UHFFFAOYSA-N	181.060	-1.537	5	10	AABE	
C[C@@H](O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	687756925	BZVHTYXXWJLGFU-UWTATZPHSA-N	195.087	-1.149	5	10	AABE	
Cn1ncc([N+](=O)[O-])[n+]1[O-]	5344139	IIRQTNCWYZXNLX-UHFFFAOYSA-N	144.090	-1.038	5	10	AABE	
C[N+](C)(CCO)CCC(N)=O	238486563	ZZEFUYUQRNJAPQ-UHFFFAOYSA-O	161.225	-1.070	5	10	AABE	
NC(=O)[C@H]1N[C@H]([N+](=O)[O-])CNC1=O	307075760	OEELFUCFRAGSMQ-PWNYCUMCSA-N	188.143	-2.838	5	10	AABE	
NC(=O)[C@H](N)Cn1ccnc1[N+](=O)[O-]	702376084	WEXMLIATIFLYDX-SCSAIBSYSA-N	199.170	-1.396	5	10	AABE	
COC1=C([N+](=O)[O-])C=N[C@H](N)N1	145494017	GZXOUZHYXRSIBT-YFKPBYRVSA-N	172.144	-1.005	5	10	AABE	
NNc1ccc([N+](=O)[O-])n[n+]1[O-]	104545325	CQJHTNRLMFLWNE-UHFFFAOYSA-N	171.116	-1.091	5	10	AABE	
C[C@@](CN)(CO)[N+](=O)[O-]	104656491	SGVQNVZVUJYRNH-SCSAIBSYSA-N	134.135	-1.027	5	10	AABE	
C[N+](C)(C)C[C@@H](O)C[C@@H](O)C(=O)O	308207209	UHWJBLNYSAYMRH-NKWVEPMBSA-O	192.235	-1.111	5	10	AABE	
O=[N+]([O-])C1=[N+](CCO)CN=C1	725538560	QMENWDMBTXMGCI-UHFFFAOYSA-N	158.137	-1.292	5	10	AABE	
[BH3-][N@@+]12CCC[C@@H](C1)[C@@](O)(CN)C2	307349542	SBUTWWIZCUZIKI-RNSXUZJQSA-N	170.065	-1.803	5	10	AABE	
O=[N+]([O-])C1=C[C@H](O)[C@@H](O)[C@H](CO)O1	687756612	CYTIHRYMXQGDOF-RVJQKOHUSA-N	191.139	-1.783	5	10	AABE	
COC1=C([N+](=O)[O-])C=N[C@@H](N)N1	145494223	GZXOUZHYXRSIBT-RXMQYKEDSA-N	172.144	-1.005	5	10	AABE	
O=[N+]([O-])C1=C[C@H](O)[C@H](O)[C@H](CO)O1	687756611	CYTIHRYMXQGDOF-FKZODXBYSA-N	191.139	-1.783	5	10	AABE	
[BH3-][N+]12CCC(CC1)[C@@](O)(CO)C2	238677045	JFXKAXDEIKGRLY-ZCUBBSJVSA-N	171.049	-1.769	5	10	AABE	
NC(=O)[C@H]1N[C@@H]([N+](=O)[O-])CNC1=O	307075762	OEELFUCFRAGSMQ-STHAYSLISA-N	188.143	-2.838	5	10	AABE	
O=[N+]([O-])C1[C@H](O)COC[C@H]1O	687756476	XJPJUTMABQXYLV-QWWZWVQMSA-N	163.129	-1.616	5	10	AABE	
O=[N+]([O-])C1CN(C2CNC2)C1	1880385128	MKLBIJZQSMROHA-UHFFFAOYSA-N	157.173	-1.081	5	10	AABE	
C[C@@](O)(CO)CN1CC([N+](=O)[O-])C1	1883133536	FXSSROYKFMYYLU-ZETCQYMHSA-N	190.199	-1.309	5	10	AABE	
CN[N+](=O)[C@@H](CO)[N+](=O)[O-]	687756882	JHUNIAVUKDDAKS-GSVOUGTGSA-N	150.114	-1.505	5	10	AABE	
CNC(=O)CN1CC([N+](=O)[O-])C1	1881296126	RRJIZLOEKLBGMX-UHFFFAOYSA-N	173.172	-1.307	5	10	AABE	
O=C(NCCO)[C@H]1C[C@@H]1[N+](=O)[O-]	308138571	FURONPLCUGUNDO-WHFBIAKZSA-N	174.156	-1.240	5	10	AABE	
O=[N+]([O-])[C@@H]1[C@H](O)[C@@H](CO)OC[C@@H]1O	687757567	FFTAFFHZYLIZDF-BGPJRJDNSA-N	193.155	-2.255	5	10	AABE	
NC(=O)[C@@]1(N)CCC[C@H]1[N+](=O)[O-]	687728468	DRLSLDFCGAKKLO-INEUFUBQSA-N	173.172	-1.002	5	10	AABE	
O=C1NCC[C@H]1N1CC([N+](=O)[O-])C1	1883134127	LHWXKRIUSMWBFV-ZCFIWIBFSA-N	185.183	-1.164	5	10	AABE	
O=C1NCCN2C[C@H]([N+](=O)[O-])C[C@@H]12	306472578	CFQZUOVGNPNONP-RITPCOANSA-N	185.183	-1.164	5	10	AABE	
O=C(CCO)N1CC([N+](=O)[O-])C1	1881246743	DKULIYHUCRSHNM-UHFFFAOYSA-N	174.156	-1.144	5	10	AABE	
CO[C@@H](CN)CN1CC([N+](=O)[O-])C1	2242451324	GTAGNRNAJPNZPW-ZETCQYMHSA-N	189.215	-1.079	5	10	AABE	
O=[N+]([O-])C[C@@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	210323599	KYBWIVQIHUYTAA-JGWLITMVSA-N	193.155	-2.255	5	10	AABE	
O=C(CCn1cnnn1)NO	205681296	PCRBEFCSKZVKGE-UHFFFAOYSA-N	157.133	-1.431	5	10	AABE	
O=[N+]([O-])CC[C@@H](O)[C@H](O)[C@H](O)CO	687757085	FQBACKFGWFKTEG-PBXRRBTRSA-N	195.171	-2.272	5	10	AABE	
NCC(=O)OCC[N+](=O)[O-]	104655490	MCXOEHZLHOGUGX-UHFFFAOYSA-N	148.118	-1.235	5	10	AABE	
O=[N+]([O-])C[C@H]1OC[C@@H](O)[C@H](O)[C@@H]1O	687751062	KYBWIVQIHUYTAA-ARQDHWQXSA-N	193.155	-2.255	5	10	AABE	
O=[N+]([O-])CC[C@H]1O[C@H](O)[C@H](O)[C@H]1O	687756464	GNSAYLVBHUAIHW-MOJAZDJTSA-N	193.155	-1.908	5	10	AABE	
O=[N+]([O-])CCN1C[C@@H](O)[C@H](O)C1	1923805129	AGYREWCYIIKXEY-PHDIDXHHSA-N	176.172	-1.700	5	10	AABE	
C[C@]1(O)[C@@H](O)[C@H](O)CC[C@@H]1[N+](=O)[O-]	687757106	UXFZAIVGNZSLEO-JRTVQGFMSA-N	191.183	-1.102	5	10	AABE	
O=C(O)CNC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	308402067	JATSWSNWJUFLGX-IUYQGCFVSA-N	188.139	-1.148	5	10	AABE	
O=[N+]([O-])[C@@H](O)C(O)[C@H](O)[N+](=O)[O-]	118548281	VSOJWGJCPFPODA-HRFVKAFMSA-N	182.088	-2.463	5	10	AABE	
Nc1ncnc2c1=N[C@@H]([N+](=O)[O-])N=2	307424624	DQGBKXJHOBGYEV-RXMQYKEDSA-N	180.127	-2.128	5	10	AABE	
Nc1nc(N)n2nnnc2c1[N+](=O)[O-]	17422025	BGFYLAHISIXXRA-UHFFFAOYSA-N	196.130	-1.408	5	10	AABE	
O=[N+]([O-])C1CN([C@H]2CNC[C@H]2O)C1	1883146116	NUEZFWCBAWBIED-NKWVEPMBSA-N	187.199	-1.720	5	10	AABE	
O=[N+]([O-])C1=C[C@H](O)[C@H](O)[C@@H](CO)O1	169475539	CYTIHRYMXQGDOF-RPDRRWSUSA-N	191.139	-1.783	5	10	AABE	
O=[N+]([O-])C[C@@H](O)[C@H](O)CO	687757683	CUOFQWZTSYDXKW-QWWZWVQMSA-N	151.118	-2.023	5	10	AABE	
O=C([C@H]1CCN1)N1CC([N+](=O)[O-])C1	1883143407	CCMKACNKNJQEQO-ZCFIWIBFSA-N	185.183	-1.164	5	10	AABE	
C[N+]1(C)C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO	6068303	RPDFLURSXKOUMG-ULAWRXDQSA-N	192.235	-2.480	5	10	AABE	
C[N@+]12CC[C@H](O)[C@]1(O)[C@H](CO)CC2	307556740	UOVVQGLCSPJQFZ-QEYWKRMJSA-N	188.247	-1.102	5	10	AABE	
CCNCC(CO)([N+](=O)[O-])[N+](=O)[O-]	702806618	CCDPBLKAAKUNNL-UHFFFAOYSA-N	193.159	-1.162	5	10	AABE	
N=c1nncc(N2CC([N+](=O)[O-])C2)[nH]1	1888891564	FYJQYBOFCRXWRE-UHFFFAOYSA-N	196.170	-1.251	5	10	AABE	
C[N+](CCO)(CCO)C[C@@H](O)CO	238487634	RHVCUGBWYKNFRD-MRVPVSSYSA-N	194.251	-2.229	5	10	AABE	
NC(=O)[C@H](N)CN1CC([N+](=O)[O-])C1	1883134626	UQBZSVNOETWBNF-RXMQYKEDSA-N	188.187	-2.240	5	10	AABE	
N[C@@H](CO)CN1CC([N+](=O)[O-])C1	2241787171	AFIJKTRMXIXXDB-RXMQYKEDSA-N	175.188	-1.733	5	10	AABE	
N=c1nc(N2CC([N+](=O)[O-])C2)[nH][nH]1	1883147753	TWVNKMXHNQCOET-UHFFFAOYSA-N	184.159	-1.317	5	10	AABE	
O=C1C[C@H]([N+](=O)[O-])[C@H]([C@H](O)CO)O1	687757645	MFGRQTXZJPIMAJ-MRKVFDINSA-N	191.139	-1.700	5	10	AABE	
CN1C=C[C@](/C=C/C(N)=O)([N+](=O)[O-])N1	137566811	CNIQVWOAKXHPHY-AIYRYJHASA-N	198.182	-1.035	5	10	AABE	
O=[N+]([O-])C1(CO)[C@@H](O)CCC[C@@H]1O	687762827	XXGIBLFQZOHAGH-WDSKDSINSA-N	191.183	-1.100	5	10	AABE	
CCS(=O)(=O)N(C)CC(=O)NO	379336504	QSBMRBKWTPVADF-UHFFFAOYSA-N	196.228	-1.227	5	10	AABE	
O=[N+]([O-])C[C@@H]1OC[C@H](O)[C@H](O)[C@@H]1O	210323546	KYBWIVQIHUYTAA-OMMKOOBNSA-N	193.155	-2.255	5	10	AABE	
O=C1NNC[C@@H]([N+](=O)[O-])[C@@H]1O	307490124	ACXMCBHYEFJSTQ-GBXIJSLDSA-N	161.117	-2.373	5	10	AABE	
O=[N+]([O-])C[C@@H](O)[C@@H](O)[C@H](O)CO	687757710	VLEQPJLPWMAPHE-UOWFLXDJSA-N	181.144	-2.662	5	10	AABE	
CN1B(O)[C@H]([N+](C)(C)C)CNC1=O	238316303	RBJZYZGUBNVGEB-ZCFIWIBFSA-O	186.044	-1.264	5	10	AABE	
C[C@H](C(N)=O)N1CC([N+](=O)[O-])C1	1881204657	LIKDDGPXNLATSH-SCSAIBSYSA-N	173.172	-1.179	5	10	AABE	
N[C@H](CO)C(=O)N1CC([N+](=O)[O-])C1	1883148189	VRGZXYUEMPSYQO-RXMQYKEDSA-N	189.171	-2.207	5	10	AABE	
CNC(=C[N+](=O)[O-])NN	1911601873	ROJVFBYTQKEHNL-UHFFFAOYSA-N	132.123	-1.255	5	10	AABE	
Cn1[nH]c([N+](=O)[O-])nc1=NC1CNC1	1955368858	XWNDHSJMVDPZDR-UHFFFAOYSA-N	198.186	-1.471	5	10	AABE	
NC(=O)[C@@H](N)CN1CC([N+](=O)[O-])C1	1883134627	UQBZSVNOETWBNF-YFKPBYRVSA-N	188.187	-2.240	5	10	AABE	
N=c1nnc(N2CC([N+](=O)[O-])C2)n[nH]1	2209555486	FMWTXVQWVHUSPW-UHFFFAOYSA-N	197.158	-1.856	5	10	AABE	
NC(=O)[C@H](N)Cn1cnc([N+](=O)[O-])c1	127808941	BKXHUKZLDFQFNR-SCSAIBSYSA-N	199.170	-1.396	5	10	AABE	
O=[N+]([O-])CC[C@@H]1O[C@H](O)[C@@H](O)[C@H]1O	687763000	GNSAYLVBHUAIHW-BXKVDMCESA-N	193.155	-1.908	5	10	AABE	
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O=[N+]([O-])C(O)(CO)CO	34437093	ZVCDRMMFJIGMPQ-UHFFFAOYSA-N	137.091	-2.064	5	10	AABE	
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C[C@H](CNN)[N@+]1([O-])CCNC1	1615167392	DRMYBQIFRCQHHX-LDWIPMOCSA-N	160.221	-1.287	5	10	AABE	
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O=[N+]([O-])C[C@H](O)C[C@@H](O)[C@H](O)CO	687762748	WDHSDPQWMRDLBH-HSUXUTPPSA-N	195.171	-2.272	5	10	AABE	
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O=[N+]([O-])[C@@]12CCON1OC[C@H]2O	687757737	KUDKXRQZSMOKFB-UHNVWZDZSA-N	176.128	-1.097	5	10	AABE	
O=[N+]([O-])[C@@H]1[C@H](O)[C@H]2CO[C@H](O2)[C@@H]1O	687756467	KAQJDOPSKBREPP-QZABAPFNSA-N	191.139	-1.891	5	10	AABE	
N[N+]12CC[N+](N)(CC1)CC2	5282962	ISRURAFHAKEKFP-UHFFFAOYSA-N	144.222	-1.605	5	10	AABE	
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C[N+](CCO)(CCO)CCC(=O)O	238487600	OCWBXLJBWQNCAA-UHFFFAOYSA-O	192.235	-1.108	5	10	AABE	
CO[C@@H]1OC[C@H](O)[C@H]([N+](=O)[O-])[C@H]1O	687757803	POIMMYHTTPMTAF-UNTFVMJOSA-N	193.155	-1.644	5	10	AABE	
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NNC(=C[N+](=O)[O-])NN	6261684	SWICMGXLXAWCSJ-UHFFFAOYSA-N	133.111	-2.011	5	10	AABE	
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CO/C(N)=C(\c1nn[nH]n1)[N+](=O)[O-]	687728250	XRKDLJCNKATZAL-NSCUHMNNSA-N	186.131	-1.292	5	10	AABE	
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NC[C@H](O)Cn1cnc([N+](=O)[O-])n1	37730006	JAYYYNONMFJAJZ-BYPYZUCNSA-N	187.159	-1.494	5	10	AABE	
NC(=O)CN=c1[nH]cncc1[N+](=O)[O-]	2209643211	YQJGTBRCSUMIGZ-UHFFFAOYSA-N	197.154	-1.296	5	10	AABE	
C[N+](C)(C)C[C@@H](O)[C@@H](O)C(=O)O	13351097	ZOPACRMLVDFSGJ-PHDIDXHHSA-O	178.208	-1.501	5	10	AABE	
NC[C@@H](C(=O)O)N1CC([N+](=O)[O-])C1	1883134831	YWDDYJFQVLYHHD-YFKPBYRVSA-N	189.171	-1.641	5	10	AABE	
CNC(N)=C([N+](=O)[O-])[N+](=O)[O-]	169481001	IWQNGLOWHITFIX-UHFFFAOYSA-N	162.105	-1.156	5	10	AABE	
C[C@@H](O)C(CO)(CO)[N+](=O)[O-]	220347295	GWWQWMOWHWFPFL-SCSAIBSYSA-N	165.145	-1.633	5	10	AABE	
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Cn1[nH]c([N+](=O)[O-])nc1=NCCN	1954425512	BVTKGMJYZSXSHZ-UHFFFAOYSA-N	186.175	-1.484	5	10	AABE	
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O=[N+]([O-])CN1CCO[C@@H](CO)C1	307571839	FEXZHOSWLNNOON-ZCFIWIBFSA-N	176.172	-1.086	5	10	AABE	
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O=[N+]([O-])[C@H](O)[C@@H](O)CO	113028350	UHBVTTDRNVAOJD-STHAYSLISA-N	137.091	-2.065	5	10	AABE	
[BH3-][N+]12CCC(CC1)[C@](O)(CO)C2	238677104	JFXKAXDEIKGRLY-CCNFQMFXSA-N	171.049	-1.769	5	10	AABE	
O=[N+]([O-])[C@@H]1O[C@@H]2[C@H](O)CO[C@@H]2[C@H]1O	26575803	ICSGNSAOQIGBSZ-QZABAPFNSA-N	191.139	-1.891	5	10	AABE	
Cn1nc([N+](=O)[O-])c(N)[n+]1[O-]	39135548	OPLSSYRFBWWQCG-UHFFFAOYSA-N	159.105	-1.456	5	10	AABE	
C[C@H](O)[C@H](O)[C@@H](O)[C@@H](O)C[N+](=O)[O-]	687762905	KLJWLHWFCLMOPV-BXKVDMCESA-N	195.171	-2.273	5	10	AABE	
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Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1C[C@H]1N	1955368653	WLPWHINMMTYHKR-DMTCNVIQSA-N	198.186	-1.343	5	10	AABE	
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O=[N+]([O-])[C@H]1[C@@H](O)[C@H]2OC[C@@H](O2)[C@@H]1O	687762901	KAQJDOPSKBREPP-DVKNGEFBSA-N	191.139	-1.891	5	10	AABE	
Cn1c(N)nc(O)c([N+](=O)[O-])c1=O	687728760	KBQLZMNGANTONH-UHFFFAOYSA-N	186.127	-1.024	5	10	AABE	
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O=C1NNC[C@@H]([N+](=O)[O-])[C@H]1O	307490128	ACXMCBHYEFJSTQ-PWNYCUMCSA-N	161.117	-2.373	5	10	AABE	
NC(=O)[C@H](N)Cn1cc([N+](=O)[O-])cn1	127809874	ADRCDXRUBKDLKW-RXMQYKEDSA-N	199.170	-1.396	5	10	AABE	
NC(=O)c1nonc1C[N+](=O)[O-]	687728443	JNTBCRPBHHIQJB-UHFFFAOYSA-N	172.100	-1.055	5	10	AABE	
NC(=O)[C@@H]1N[C@H]([N+](=O)[O-])CNC1=O	307075756	OEELFUCFRAGSMQ-GBXIJSLDSA-N	188.143	-2.838	5	10	AABE	
Cn1[nH]c(=NCCN)nc1[N+](=O)[O-]	1892906006	YDHOVHQVVFXCSX-UHFFFAOYSA-N	186.175	-1.484	5	10	AABE	
O=[N+]([O-])CN1CCS(=O)(=O)CC1	307517435	JFPJVOZRNCHVGW-UHFFFAOYSA-N	194.212	-1.049	5	10	AABE	
O=[N+]([O-])[C@H]1[C@H](O)COC[C@@H]1O	687756994	XJPJUTMABQXYLV-SCDXWVJYSA-N	163.129	-1.616	5	10	AABE	
O=[N+]([O-])CCN1C[C@H](O)[C@@H](O)C1	1923815080	AGYREWCYIIKXEY-WDSKDSINSA-N	176.172	-1.700	5	10	AABE	
O=C(O)[C@H](O)C([N+](=O)[O-])[N+](=O)[O-]	196763089	WPNLETXMEGHBQK-PVQJCKRUSA-N	180.072	-1.689	5	10	AABE	
Cc1no[n+]([O-])c1[C@@H](O)C[N+](=O)[O-]	706577722	VIPLLUMLLAZPMR-BYPYZUCNSA-N	189.127	-1.073	5	10	AABE	
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C[C@H](O)[C@@H](O)CNCC[N+](=O)[O-]	905406705	YSNOAVALFYRYRJ-WDSKDSINSA-N	178.188	-1.406	5	10	AABE	
NCCC(=O)N1CC([N+](=O)[O-])C1	1881203413	AKRXZGCSCSPGQS-UHFFFAOYSA-N	173.172	-1.177	5	10	AABE	
C[N+](C)(C)C[C@@H](O)C[C@H](O)C(=O)O	308207208	UHWJBLNYSAYMRH-BQBZGAKWSA-O	192.235	-1.111	5	10	AABE	
O=[N+]([O-])C(=C1NCOCN1)[N+](=O)[O-]	687728502	SBXGNKYYPQQQGE-UHFFFAOYSA-N	190.115	-1.209	5	10	AABE	
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O=[N+]([O-])CC[C@@H]1O[C@H](O)[C@@H](O)[C@@H]1O	687763001	GNSAYLVBHUAIHW-FSIIMWSLSA-N	193.155	-1.908	5	10	AABE	
O=[N+]([O-])[C@@H]1[C@H](O)CO[C@H](CO)[C@@H]1O	687762761	FFTAFFHZYLIZDF-KAZBKCHUSA-N	193.155	-2.255	5	10	AABE	
NC(=O)[C@]1(N)CCC[C@@H]1[N+](=O)[O-]	687728469	DRLSLDFCGAKKLO-NJGYIYPDSA-N	173.172	-1.002	5	10	AABE	
O=[N+]([O-])C1=CN=C2N=CNN2[C@H]1O	687727406	GZMGSLZTGUEDRG-BYPYZUCNSA-N	183.127	-1.359	5	10	AABE	
O=[N+]([O-])[C@@H]1[C@H](O)CO[C@@H](CO)[C@@H]1O	687762763	FFTAFFHZYLIZDF-MOJAZDJTSA-N	193.155	-2.255	5	10	AABE	
O=[N+]([O-])C[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O	169669259	QIRJBUVMCXSLDQ-ARQDHWQXSA-N	193.155	-2.255	5	10	AABE	
O=[N+]([O-])[C@@H]1C[C@H](O)[C@H](O)[C@H](O)[C@H]1O	687762721	MLLGPLISSSHYMU-QBFJYBIGSA-N	193.155	-2.521	5	10	AABE	
O=[N+]([O-])/C=C\[C@@H](O)[C@H](O)[C@H](O)CO	706592059	CVSILEKPMLGIFA-GBWOLBBFSA-N	193.155	-2.148	5	10	AABE	
O=[N+]([O-])C1CN(C2=NCCN2)C1	1881204328	IVZHIWBPFCGCJS-UHFFFAOYSA-N	170.172	-1.094	5	10	AABE	
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N[C@H](CO)CN1CC([N+](=O)[O-])C1	2241794080	AFIJKTRMXIXXDB-YFKPBYRVSA-N	175.188	-1.733	5	10	AABE	
O=[N+]([O-])C1CN([C@@H]2COC[C@H]2O)C1	1883145110	JZDPSTKGQFVOTF-RNFRBKRXSA-N	188.183	-1.293	5	10	AABE	
NC(=O)c1n[nH]c(C(N)=O)c1[N+](=O)[O-]	687727746	RAKKDEKDBIQMMT-UHFFFAOYSA-N	199.126	-1.484	5	10	AABE	
C[N@@+]12CC=C(CO)[C@]1(O)[C@H](O)CC2	255234154	MHCDHCVYFDHGEB-UTLUCORTSA-N	186.231	-1.182	5	10	AABE	
O=[N+]([O-])C=C1N[C@@H](O)[C@H](O)N1	687728371	NOXHOZDXISNSAV-IMJSIDKUSA-N	161.117	-2.108	5	10	AABE	
OC1C[N+]2(C1)CC(O)C2	13375287	HDKZWRBPFIPXIE-UHFFFAOYSA-N	130.167	-1.448	5	10	AABE	
Cn1c([N+](=O)[O-])nn(CO)c1=O	39270084	AIVHKTYZNABJKP-UHFFFAOYSA-N	174.116	-1.560	5	10	AABE	
O=[N+]([O-])C[C@H](O)[C@@H](O)[C@@H](O)CO	169601099	VLEQPJLPWMAPHE-VAYJURFESA-N	181.144	-2.662	5	10	AABE	
C[N@+]12CC=C(CO)[C@]1(O)[C@H](O)CC2	257482450	MHCDHCVYFDHGEB-KXUCPTDWSA-N	186.231	-1.182	5	10	AABE	
CC([C@H](O)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]	687727673	PGPOVJRHAZBGFN-UWTATZPHSA-N	194.099	-1.299	5	10	AABE	
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COC(OC)C(CO)(CO)[N+](=O)[O-]	687807019	MVQPXEHZTYWLIB-UHFFFAOYSA-N	195.171	-1.395	5	10	AABE	
N[C@H](CCO)C(=O)NO	196725266	KBNNJEXFRYTWFS-GSVOUGTGSA-N	134.135	-1.799	5	10	AABE	
CO[C@@H]1O[C@H](CO)[C@H]([N+](=O)[O-])[C@@H]1O	687762922	RXSQNRRSXAOKMR-DPYQTVNSSA-N	193.155	-1.644	5	10	AABE	
CN(N=O)[C@H](N[N+](=O)[O-])[N+](=O)[O-]	1082176595	DBADFDUOYTWBCK-REOHCLBHSA-N	179.092	-1.059	5	10	AABE	
NNCC(CO)([N+](=O)[O-])[N+](=O)[O-]	196528889	ZJNYLRPFDSEANA-UHFFFAOYSA-N	180.120	-2.308	5	10	AABE	
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C[C@@H](O)[C@H](O)CNCC[N+](=O)[O-]	905406701	YSNOAVALFYRYRJ-PHDIDXHHSA-N	178.188	-1.406	5	10	AABE	
O=[N+]([O-])C1(CO)COCOC1	34200258	REPBCWMRVPKDND-UHFFFAOYSA-N	163.129	-1.002	5	10	AABE	
Cn1[nH]c([N+](=O)[O-])nc1=NCCO	1954427346	UZVOYJPBYVQWNP-UHFFFAOYSA-N	187.159	-1.451	5	10	AABE	
NC1=N[C@@H]([N+](=O)[O-])[C@@H]([N+](=O)[O-])N1	100452120	ZDEUDRBETDFZIK-XIXRPRMCSA-N	175.104	-1.890	5	10	AABE	
N#CNC(=N)N1CC([N+](=O)[O-])C1	1881204363	JCGHJFGYRGNDNV-UHFFFAOYSA-N	169.144	-1.047	5	10	AABE	
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COC(=O)[C@@H](O)C[N+](=O)[O-]	687751054	AUWKRZWNNDDFEC-VKHMYHEASA-N	149.102	-1.203	5	10	AABE	
O=[N+]([O-])C1[C@@H](O)COC[C@@H]1O	687763051	XJPJUTMABQXYLV-IMJSIDKUSA-N	163.129	-1.616	5	10	AABE	
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NCCN1CC([N+](=O)[O-])C1	1880077591	QFIHLGMREWCROE-UHFFFAOYSA-N	145.162	-1.094	5	10	AABE	
O=[N+]([O-])CCN1C[C@@H](O)C[C@@H](O)C1	929769256	QDNLMLGFCZQZTI-KNVOCYPGSA-N	190.199	-1.309	5	10	AABE	
O=[N+]([O-])C=C(NCCO)NCCO	39212732	AKMDBSOZFIJYPK-UHFFFAOYSA-N	191.187	-1.774	5	10	AABE	
Cn1[nH]cc([N+](=O)[O-])c(=O)c1=O	202589722	GFVFFIZQJCUTDD-UHFFFAOYSA-N	171.112	-1.018	5	10	AABE	
Cn1[nH]c(=N[C@H]2C[C@@H]2N)nc1[N+](=O)[O-]	1892898637	QWTNBHSUWJYDBK-IMJSIDKUSA-N	198.186	-1.343	5	10	AABE	
NC(=O)[C@@H]1CN(C[N+](=O)[O-])CCO1	306766325	WRBTXBHGHCLYHL-YFKPBYRVSA-N	189.171	-1.593	5	10	AABE	
CO[C@@H]1O[C@H](CO)[C@H]([N+](=O)[O-])[C@H]1O	687757804	RXSQNRRSXAOKMR-JGWLITMVSA-N	193.155	-1.644	5	10	AABE	
C[C@@H]1[C@@H](O)OC[C@@]1(CO)[N+](=O)[O-]	205891510	DPCZNMUTCTUNHM-NGJCXOISSA-N	177.156	-1.021	5	10	AABE	
O=C([C@H]1C[C@@H]1[N+](=O)[O-])N1CC(O)C1	307481972	LRAXIZQJFZQZBJ-WDSKDSINSA-N	186.167	-1.145	5	10	AABE	
C[N+](C)(C)C[C@@H](O)[C@H](O)C(=O)O	13351087	ZOPACRMLVDFSGJ-RITPCOANSA-O	178.208	-1.501	5	10	AABE	
C[C@@H]1[C@@H](O)OC[C@]1(CO)[N+](=O)[O-]	687756565	DPCZNMUTCTUNHM-SRQIZXRXSA-N	177.156	-1.021	5	10	AABE	
C[C@@H](N)C(=O)N1CC([N+](=O)[O-])C1	1881204526	KFOAZDLIFILARU-SCSAIBSYSA-N	173.172	-1.179	5	10	AABE	
NC(=O)Cn1ncc([N+](=O)[O-])n1	1329207118	PKHSJZLHJSISPD-UHFFFAOYSA-N	171.116	-1.328	5	10	AABE	
NC(=O)c1c(N)n[nH]c1C[N+](=O)[O-]	687728623	WSAZQQJFFAAWET-UHFFFAOYSA-N	185.143	-1.133	5	10	AABE	
O=[N+]([O-])C(CCO)([N+](=O)[O-])[N+](=O)[O-]	136513845	IVLKBZHWMZOSPZ-UHFFFAOYSA-N	195.087	-1.147	5	10	AABE	
O=[N+]([O-])C1=CN=C2N=CNN2[C@@H]1O	687727407	GZMGSLZTGUEDRG-SCSAIBSYSA-N	183.127	-1.359	5	10	AABE	
C[N@+]12CC=C(CO)[C@]1(O)[C@@H](O)CC2	257482451	MHCDHCVYFDHGEB-LPEHRKFASA-N	186.231	-1.182	5	10	AABE	
COCCS(=O)(=O)CC(=O)NO	379327687	LWLTVUJBKTWLMJ-UHFFFAOYSA-N	197.212	-1.447	5	10	AABE	
NC[C@@H](O)CCN1CC([N+](=O)[O-])C1	1883145727	MKWBVMYHXAPRQT-ZETCQYMHSA-N	189.215	-1.343	5	10	AABE	
C[N+](C)(C)[C@@H](O)[C@H](O)CC(=O)O	115499286	DZPFJAKFIHWWDD-VDTYLAMSSA-O	178.208	-1.153	5	10	AABE	
O=[N+]([O-])[C@H]1O[C@@H]2[C@H](O)CO[C@@H]2[C@H]1O	100837803	ICSGNSAOQIGBSZ-UKFBFLRUSA-N	191.139	-1.891	5	10	AABE	
O=[N+]([O-])[C@@H]1CNNN1	212552637	CSQKVNLSJRNLFY-UWTATZPHSA-N	118.096	-1.798	5	10	AABE	
C[C@H](O)C(=O)N1CC([N+](=O)[O-])C1	1881204238	ICJJMXDXMAFXIU-BYPYZUCNSA-N	174.156	-1.145	5	10	AABE	
Cn1nc(N2CC(N)C2)nc1[N+](=O)[O-]	1892906103	ZXNGAJZHEFEHHQ-UHFFFAOYSA-N	198.186	-1.129	5	10	AABE	
N=C(NC=O)[C@@H](c1nn[nH]n1)[N+](=O)[O-]	687728447	ORMGPYBBSLTYTM-REOHCLBHSA-N	199.130	-1.759	5	10	AABE	
NC(=C(N)[N+](=O)[O-])[N+](=O)[O-]	2053562706	QVYSQTANFYDRPQ-UHFFFAOYSA-N	148.078	-1.416	5	10	AABE	
O=[N+]([O-])C[C@H](O)C[C@@H](O)[C@@H](O)CO	687762749	WDHSDPQWMRDLBH-PBXRRBTRSA-N	195.171	-2.272	5	10	AABE	
O=C(O)[C@H](O)CN1CC([N+](=O)[O-])C1	1883133303	CREHQBQXZYLQNI-RXMQYKEDSA-N	190.155	-1.607	5	10	AABE	
O=[N+]([O-])C1CN(Cc2nn[nH]n2)C1	1883133510	FSZUBMDDUQVUAJ-UHFFFAOYSA-N	184.159	-1.339	5	10	AABE	
O=[N+]([O-])[C@H](O)[C@H](O)CO	113028348	UHBVTTDRNVAOJD-PWNYCUMCSA-N	137.091	-2.065	5	10	AABE	
NC(=O)c1n(O)cc([N+](=O)[O-])[n+]1[O-]	706572469	JJHMJQYJKBJGSY-UHFFFAOYSA-N	188.099	-1.634	5	10	AABE	
CS(=O)(=O)[C@H](CO)[N+](=O)[O-]	687757310	SUVUBIIABUFXHS-GSVOUGTGSA-N	169.158	-1.374	5	10	AABE	
N[C@H](C[N+](=O)[O-])C(=O)O	13542426	IFWQINYRALMPEB-UWTATZPHSA-N	134.091	-1.325	5	10	AABE	
O=C(O)[C@H](O)C(F)([N+](=O)[O-])[N+](=O)[O-]	687728658	GUZYTPAQCXZIPS-SFOWXEAESA-N	198.062	-1.391	5	10	AABE	
O=C1C[C@H](CN2CC([N+](=O)[O-])C2)N1	1883427182	KEEMWKYYKGYCJA-RXMQYKEDSA-N	185.183	-1.164	5	10	AABE	
NC1=NC(=O)[C@@H]2N=C([N+](=O)[O-])N=C2N1	222137819	LOVMRWYXRLZROJ-PVQJCKRUSA-N	196.126	-2.156	5	10	AABE	
NCCNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	308091838	UHDOEOFROLERSK-WHFBIAKZSA-N	173.172	-1.274	5	10	AABE	
O=C([C@@H]1CCN1)N1CC([N+](=O)[O-])C1	1883143405	CCMKACNKNJQEQO-LURJTMIESA-N	185.183	-1.164	5	10	AABE	
NCC[C@@H](O)CN1CC([N+](=O)[O-])C1	1883134443	QTWGEKXKVGYWSO-SSDOTTSWSA-N	189.215	-1.343	5	10	AABE	
C[C@H](O)[C@H]([C@@H](N)O)[N+](=O)[O-]	205003225	UZNRZJAKDJOHQE-NUNKFHFFSA-N	150.134	-1.710	5	10	AABE	
NC(=O)Cn1cnnc1[N+](=O)[O-]	307223168	RJKIWGFATMHZNU-UHFFFAOYSA-N	171.116	-1.328	5	10	AABE	
C[N+](C)(C)C[C@H](O)CC(N)=O	8299266	KWIXGIMKELMNGH-ZCFIWIBFSA-O	161.225	-1.071	5	10	AABE	in-vitro
O=[N+]([O-])[C@@]12CCON1OC[C@@H]2O	687757738	KUDKXRQZSMOKFB-WHFBIAKZSA-N	176.128	-1.097	5	10	AABE	
N=C1NS(=O)(=O)NC=C1[N+](=O)[O-]	687728620	VAROSAQIZMDYDU-UHFFFAOYSA-N	192.156	-1.481	5	10	AABE	
N[C@@H]1C[C@H]([N+](=O)[O-])[C@@H](CO)O1	687756543	WWAITHCOLSFDCX-LMVFSUKVSA-N	162.145	-1.302	5	10	AABE	
N[C@@H](CN1CC([N+](=O)[O-])C1)C(=O)O	1883134072	KQGAQJKANOPCND-YFKPBYRVSA-N	189.171	-1.641	5	10	AABE	
NC/C=C\C(=O)N1CC([N+](=O)[O-])C1	1883800067	UUVGIJOWBUNKEB-UPHRSURJSA-N	185.183	-1.011	5	10	AABE	
NC(=O)[C@H]1CCN1CC[N+](=O)[O-]	1923835413	TZRPREGLCKOTRF-RXMQYKEDSA-N	173.172	-1.177	5	10	AABE	
CO[C@@H]1OC[C@H](O)[C@@H]([N+](=O)[O-])[C@H]1O	687757802	POIMMYHTTPMTAF-SLPGGIOYSA-N	193.155	-1.644	5	10	AABE	
NC1=NC(=O)C2=NC([N+](=O)[O-])=NC2=N1	38581011	NGEMBMZPTGPYRL-UHFFFAOYSA-N	194.110	-1.673	5	10	AABE	
C[C@H](O)C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	687756924	BZVHTYXXWJLGFU-REOHCLBHSA-N	195.087	-1.149	5	10	AABE	
O=C1NCCN2C[C@@H]([N+](=O)[O-])C[C@H]12	306472576	CFQZUOVGNPNONP-NTSWFWBYSA-N	185.183	-1.164	5	10	AABE	
C[N+](C)(CCO)C[C@H](O)CO	34195469	XFIHFOKUSPUTEJ-ZETCQYMHSA-N	164.225	-1.592	5	10	AABE	
NC(=O)[C@@H](N)Cn1cnc([N+](=O)[O-])c1	127808704	BKXHUKZLDFQFNR-BYPYZUCNSA-N	199.170	-1.396	5	10	AABE	
NCC(CO)(CO)[N+](=O)[O-]	306247885	UDDPYEXOCLQXAO-UHFFFAOYSA-N	150.134	-2.055	5	10	AABE	
O=[N+]([O-])/C=C\[C@H](O)[C@H](O)[C@H](O)CO	687809256	CVSILEKPMLGIFA-JQSGJIRDSA-N	193.155	-2.148	5	10	AABE	
O=C(CO)N1CC([N+](=O)[O-])C1	1880384289	IJELFTAVWAQMIZ-UHFFFAOYSA-N	160.129	-1.534	5	10	AABE	
C[N+]1(CCO)CC(O)C1	238488788	QLXAJTPRLWYDMD-UHFFFAOYSA-N	132.183	-1.200	5	10	AABE	
N[C@@H]1C[C@H]([N+](=O)[O-])[C@H](CO)O1	687756546	WWAITHCOLSFDCX-YUPRTTJUSA-N	162.145	-1.302	5	10	AABE	
Cn1nc([N+](=O)[O-])nc1N1CC(N)C1	1955367858	PYRHFQIKELIWMO-UHFFFAOYSA-N	198.186	-1.129	5	10	AABE	
O=[N+]([O-])[C@@H]1[C@H](O)[C@H]2CO[C@@H](O2)[C@@H]1O	687762904	KAQJDOPSKBREPP-UKFBFLRUSA-N	191.139	-1.891	5	10	AABE	
NOCCC(=O)N1CC([N+](=O)[O-])C1	1883143014	APYMMJSPEDBSFR-UHFFFAOYSA-N	189.171	-1.246	5	10	AABE	
Cn1nc([N+](=O)[O-])n(CCO)c1=O	39217057	AZCYCBYKEZCHBJ-UHFFFAOYSA-N	188.143	-1.518	5	10	AABE	
O=[N+]([O-])C1CN([C@@H]2CNOC2)C1	1881205988	XBAANSOBAJSJTO-RXMQYKEDSA-N	173.172	-1.149	5	10	AABE	
C[N+](C)(N)CCC(N)=O	34477875	FPRPJZHHMAMWQL-UHFFFAOYSA-O	132.187	-1.188	5	10	AABE	
NCCC([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]	139957829	JUICPNATEFODEC-UHFFFAOYSA-N	194.103	-1.181	5	10	AABE	
COC[C@H](CN)N1CC([N+](=O)[O-])C1	1883134572	SSVJJTIIDGHMKS-LURJTMIESA-N	189.215	-1.079	5	10	AABE	
Nc1c([N+](=O)[O-])nn(N)c1[N+](=O)[O-]	169593209	YXQJEZBWVNVFHZ-UHFFFAOYSA-N	188.103	-1.005	5	10	AABE	
O=[N+]([O-])C1CN([C@@H]2CNC[C@@H]2O)C1	1883146118	NUEZFWCBAWBIED-RQJHMYQMSA-N	187.199	-1.720	5	10	AABE	
C[N+](C)(C[C@@H](O)CC(=O)O)C(N)=O	59193382	PPOQMKQFSSACDR-YFKPBYRVSA-O	191.207	-1.023	5	10	AABE	
NC1=CCN(C(=O)[C@@H]2C[C@H]2[N+](=O)[O-])N1	1617201750	VYAGFTUCHCGKIQ-RFZPGFLSSA-N	198.182	-1.202	5	10	AABE	
N[C@@H]1C[C@@H]([N+](=O)[O-])[C@H](CO)O1	687756545	WWAITHCOLSFDCX-WISUUJSJSA-N	162.145	-1.302	5	10	AABE	
O=[N+]([O-])[C@H]1[C@H](O)[C@H]2OC[C@@H](O2)[C@H]1O	687762903	KAQJDOPSKBREPP-TVIMKVIFSA-N	191.139	-1.891	5	10	AABE	
N=C(NC=O)[C@H](c1nn[nH]n1)[N+](=O)[O-]	687728448	ORMGPYBBSLTYTM-UWTATZPHSA-N	199.130	-1.759	5	10	AABE	
O=[N+]([O-])CC[C@@H]1O[C@H](O)[C@H](O)[C@@H]1O	687763002	GNSAYLVBHUAIHW-KCDKBNATSA-N	193.155	-1.908	5	10	AABE	
O=[N+]([O-])CN1CCN(CCO)CC1	308425349	WKDAEBZUMOZQDW-UHFFFAOYSA-N	189.215	-1.170	5	10	AABE	
N=c1nc([N+](=O)[O-])[nH]n1CO	687728710	ALSKOBPLUBRDEE-UHFFFAOYSA-N	159.105	-1.451	5	10	AABE	
O=[N+]([O-])C=C1N[C@@H](O)[C@@H](O)N1	687728373	NOXHOZDXISNSAV-ZXZARUISSA-N	161.117	-2.108	5	10	AABE	
O=[N+]([O-])C[C@@H](CO)[N+](=O)[O-]	687757678	WICUEBXCNBAJJJ-VKHMYHEASA-N	150.090	-1.099	5	10	AABE	
O=[N+]([O-])C[C@@H](O)CO	196230289	KNAFKGCUHDGMGE-GSVOUGTGSA-N	121.092	-1.384	5	10	AABE	
O=[N+]([O-])[C@@H]1O[C@H](CO)[C@H](O)[C@H]1O	706539462	VDLXEQBFYVPJBH-KKQCNMDGSA-N	179.128	-2.298	5	10	AABE	
C[C@](O)(CO)CNCC[N+](=O)[O-]	905354122	LZHRXZMXNDTXCW-ZCFIWIBFSA-N	178.188	-1.404	5	10	AABE	
O=[N+]([O-])CCN[C@@H](CO)CCO	1923789512	YZDPINBQJPVQGL-ZCFIWIBFSA-N	178.188	-1.404	5	10	AABE	
C[N+](C)(C)C[C@H](O)[C@@H](O)C(=O)O	13351091	ZOPACRMLVDFSGJ-NTSWFWBYSA-O	178.208	-1.501	5	10	AABE	in-vitro
OCCOCC[N+]1(O)CCNCC1	575346728	GZBCOCYFKJOWHL-UHFFFAOYSA-N	191.251	-1.196	5	10	AABE	
O=[N+]([O-])CC[C@H]1O[C@@H](O)[C@H](O)[C@H]1O	687756463	GNSAYLVBHUAIHW-JGWLITMVSA-N	193.155	-1.908	5	10	AABE	
NC(=O)CN1CC([N+](=O)[O-])C1	1880383703	FTEIVACAEZTJPU-UHFFFAOYSA-N	159.145	-1.567	5	10	AABE	
O=[N+]([O-])[C@H]1C[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O	687756832	MLLGPLISSSHYMU-KGJVWPDLSA-N	193.155	-2.521	5	10	AABE	
C[N+](C)(C[C@H](O)CC(=O)O)C(N)=O	59193381	PPOQMKQFSSACDR-RXMQYKEDSA-O	191.207	-1.023	5	10	AABE	
C[C@H](O)[C@H](O)[C@H](O)[C@H](O)C[N+](=O)[O-]	687757139	KLJWLHWFCLMOPV-BGPJRJDNSA-N	195.171	-2.273	5	10	AABE	
C[C@H](N)C(=O)N1CC([N+](=O)[O-])C1	1881204525	KFOAZDLIFILARU-BYPYZUCNSA-N	173.172	-1.179	5	10	AABE	
COCC(CO)(CO)[N+](=O)[O-]	687806807	KUWYVUCDCCFTCD-UHFFFAOYSA-N	165.145	-1.367	5	10	AABE	
C[C@]1(O)[C@H](O)[C@H](O)CC[C@H]1[N+](=O)[O-]	687762745	UXFZAIVGNZSLEO-DBRKOABJSA-N	191.183	-1.102	5	10	AABE	
[O-][N+]1(CCOCCO)CCNCC1	44699612	BWQGZJDDHVVTMS-UHFFFAOYSA-N	190.243	-1.087	5	10	AABE	in-vitro
COC[C@@H](O)CN1CC([N+](=O)[O-])C1	1883147178	QXRPIHZKPSTSHH-ZETCQYMHSA-N	190.199	-1.045	5	10	AABE	
NCCN=c1[nH]cnc(N)c1[N+](=O)[O-]	1957130045	CBACUESXDJAXCA-UHFFFAOYSA-N	198.186	-1.241	5	10	AABE	
N[S@](=O)CC[N+](=O)[O-]	675071938	UJWGFDIGGJUYMI-MRVPVSSYSA-N	138.148	-1.115	5	10	AABE	
C[C@@H]1O[C@H](C[N+](=O)[O-])[C@@H](O)[C@H]1O	687762917	RXOWDIXKLLEFLK-BGPJRJDNSA-N	177.156	-1.228	5	10	AABE	
NC1(Cn2cnc([N+](=O)[O-])n2)COC1	1906878021	YTQZPJDWXBDMRG-UHFFFAOYSA-N	199.170	-1.086	5	10	AABE	
CN(N=O)[C@@H](N[N+](=O)[O-])[N+](=O)[O-]	1082176596	DBADFDUOYTWBCK-UWTATZPHSA-N	179.092	-1.059	5	10	AABE	
CN1[C@@H](CO)NC[C@H]1[N+](=O)[O-]	1083816754	NXQQPGDZZKHJDB-CRCLSJGQSA-N	161.161	-1.557	5	10	AABE	
N[C@@H]1COC[C@@H]1[N+](=O)[O-]	34241158	SWPSMRWBGZNFPO-DMTCNVIQSA-N	132.119	-1.011	5	10	AABE	
NC[C@@H](O)Cn1cnc([N+](=O)[O-])n1	37730005	JAYYYNONMFJAJZ-SCSAIBSYSA-N	187.159	-1.494	5	10	AABE	
C[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)C[N+](=O)[O-]	687757140	KLJWLHWFCLMOPV-DPYQTVNSSA-N	195.171	-2.273	5	10	AABE	
NCc1[nH]c(=O)[nH]c(=O)c1[N+](=O)[O-]	82637656	JWJFTDRKBGBXIA-UHFFFAOYSA-N	186.127	-1.570	5	10	AABE	
NCCC(CCN)([N+](=O)[O-])[N+](=O)[O-]	19319401	OSNPEFJDXXHJQD-UHFFFAOYSA-N	192.175	-1.066	5	10	AABE	
O=[N+]([O-])c1cn(C[C@@H](O)CO)nn1	143087300	RWIXPYNEJXBPQB-SCSAIBSYSA-N	188.143	-1.461	5	10	AABE	
O=[N+]([O-])C1CN(CC[C@@H](O)CO)C1	1883148364	WLNQXWKJVSWGSP-SSDOTTSWSA-N	190.199	-1.309	5	10	AABE	
C[C@](CN)(CO)[N+](=O)[O-]	104656495	SGVQNVZVUJYRNH-BYPYZUCNSA-N	134.135	-1.027	5	10	AABE	
O=C(NCCO)[C@@H]1C[C@H]1[N+](=O)[O-]	308138569	FURONPLCUGUNDO-RFZPGFLSSA-N	174.156	-1.240	5	10	AABE	
O=[N+]([O-])C[C@@H]1[C@H](O)O[C@H](CO)[C@@H]1O	687762784	IVOFUMSBRIKBMW-SLPGGIOYSA-N	193.155	-2.050	5	10	AABE	
CON(C)C(=O)[C@H](O)C[N+](=O)[O-]	687806586	RYNPOXLYQGREMX-SCSAIBSYSA-N	178.144	-1.356	5	10	AABE	
CN(C)NC(=C[N+](=O)[O-])NN	2053528179	LLCWOMCUEVIWDT-UHFFFAOYSA-N	161.165	-1.409	5	10	AABE	
[BH3-][N+]12CCC(CC1)[C@@H](O)C2	238677012	JPONBIJRNIZXBN-CRMOQAEOSA-N	141.023	-1.132	5	10	AABE	
O=[N+]([O-])C[C@@H](O)[C@@H](O)CO	702701116	CUOFQWZTSYDXKW-DMTCNVIQSA-N	151.118	-2.023	5	10	AABE	
CNOCC(=O)N1CC([N+](=O)[O-])C1	1883133820	IGCXMCIDNQKNEF-UHFFFAOYSA-N	189.171	-1.375	5	10	AABE	
CN1C=C[C@@](/C=C\C(N)=O)([N+](=O)[O-])N1	206430464	CNIQVWOAKXHPHY-SKRYNEFJSA-N	198.182	-1.035	5	10	AABE	
C[C@H]1O[C@@H](C[N+](=O)[O-])[C@H](O)[C@H]1O	687757308	RXOWDIXKLLEFLK-VANKVMQKSA-N	177.156	-1.228	5	10	AABE	
NC1(CN2CC([N+](=O)[O-])C2)COC1	1884273776	WJIOKVOWVMKNHJ-UHFFFAOYSA-N	187.199	-1.325	5	10	AABE	
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NS(=O)(=O)c1[nH]cnc1[N+](=O)[O-]	8615693	XARPOFSVXQKPFU-UHFFFAOYSA-N	192.156	-1.035	5	10	AABE	
O=[N+]([O-])[C@H]1[C@H](O)[C@@H]2OC[C@@H](O2)[C@@H]1O	687756468	KAQJDOPSKBREPP-RWOPYEJCSA-N	191.139	-1.891	5	10	AABE	
NC[C@H](O)CCN1CC([N+](=O)[O-])C1	1883145726	MKWBVMYHXAPRQT-SSDOTTSWSA-N	189.215	-1.343	5	10	AABE	
C[N@+]12CC=C(CO)[C@@]1(O)[C@H](O)CC2	257482452	MHCDHCVYFDHGEB-OPRDCNLKSA-N	186.231	-1.182	5	10	AABE	
C[C@H](O)[C@@H]([C@H](N)O)[N+](=O)[O-]	307052694	UZNRZJAKDJOHQE-YVZJFKFKSA-N	150.134	-1.710	5	10	AABE	
CCC(O)(O)NCC[N+](=O)[O-]	114000523	FPNDCXGOBOZTIF-UHFFFAOYSA-N	164.161	-1.099	5	10	AABE	
C[N+](C)(CCO)CCS(=O)(=O)O	218608997	BVXLNVUPFNBTKO-UHFFFAOYSA-O	198.264	-1.057	5	10	AABE	
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C[C@H](ON)C(=O)N1CC([N+](=O)[O-])C1	1883143698	DLRKZDOFNNTPLH-BYPYZUCNSA-N	189.171	-1.247	5	10	AABE	
NC[C@@H](O)c1nonc1[N+](=O)[O-]	82868175	GLKVMBTYRPPLNK-UWTATZPHSA-N	174.116	-1.030	5	10	AABE	
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Nc1n[nH][n+]([O-])c1[N+](=O)[O-]	95922739	MSPOAAUKJRVZDK-UHFFFAOYSA-N	145.078	-1.467	5	10	AABE	
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O=[N+]([O-])c1ncn(C[C@@H](O)CO)n1	112798526	FXUZMTBHYCXDSC-SCSAIBSYSA-N	188.143	-1.461	5	10	AABE	
CO[C@@H]1O[C@H](CO)[C@@H]([N+](=O)[O-])[C@@H]1O	687762921	RXSQNRRSXAOKMR-ARQDHWQXSA-N	193.155	-1.644	5	10	AABE	
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NCCNC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	308091837	UHDOEOFROLERSK-UHNVWZDZSA-N	173.172	-1.274	5	10	AABE	
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Cn1[nH]c(=NC2CNC2)nc1[N+](=O)[O-]	1892905715	SDQUATRPFLIOBR-UHFFFAOYSA-N	198.186	-1.471	5	10	AABE	
O=[N+]([O-])c1nc2n(n1)C[C@H](CO)O2	687757749	PBXXVVZRCBEUES-GSVOUGTGSA-N	186.127	-1.060	5	10	AABE	
O=[N+]([O-])N1CC([N+](=O)[O-])([N+](=O)[O-])C1	113830895	ZCRYIJDAHIGPDQ-UHFFFAOYSA-N	192.087	-1.257	5	10	AABE	
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CN1C=C[C@@](/C=C/C(N)=O)([N+](=O)[O-])N1	137566725	CNIQVWOAKXHPHY-TYWZFMJISA-N	198.182	-1.035	5	10	AABE	
O=C(O)CC(CO)([N+](=O)[O-])[N+](=O)[O-]	34346947	CDCIDBHRGQIQFZ-UHFFFAOYSA-N	194.099	-1.297	5	10	AABE	
C[N+](C)(CNC=O)CNC=O	238486775	MFKQWKQAPJXKAE-UHFFFAOYSA-O	160.197	-1.530	5	10	AABE	
O=[N+]([O-])[C@]12CCON1OC[C@H]2O	687757736	KUDKXRQZSMOKFB-RFZPGFLSSA-N	176.128	-1.097	5	10	AABE	
NCCC[C@](N)(C[N+](=O)[O-])C(=O)O	687759072	XCEYGTLWNGYTOJ-LURJTMIESA-N	191.187	-1.216	5	10	AABE	
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O=[N+]([O-])[C@@H](O)[C@H](O)CO	113028353	UHBVTTDRNVAOJD-GBXIJSLDSA-N	137.091	-2.065	5	10	AABE	
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C[C@]1(O)[C@H](O)[C@@H](O)CC[C@H]1[N+](=O)[O-]	687762744	UXFZAIVGNZSLEO-BDVNFPICSA-N	191.183	-1.102	5	10	AABE	
C[C@@H]1O[C@H](C[N+](=O)[O-])[C@@H](O)[C@@H]1O	687762920	RXOWDIXKLLEFLK-SLPGGIOYSA-N	177.156	-1.228	5	10	AABE	
CO[C@H](CN)CN1CC([N+](=O)[O-])C1	2242451323	GTAGNRNAJPNZPW-SSDOTTSWSA-N	189.215	-1.079	5	10	AABE	
O=C(O)CNC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	308402068	JATSWSNWJUFLGX-QWWZWVQMSA-N	188.139	-1.148	5	10	AABE	
NC(=O)c1c([N+](=O)[O-])cnn1N	687728605	OMPYNOXNSUNODY-UHFFFAOYSA-N	171.116	-1.396	5	10	AABE	
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N[C@@H](CO)CN1CC([N+](=O)[O-])C1	2241794079	AFIJKTRMXIXXDB-RXMQYKEDSA-N	175.188	-1.733	5	10	AABE	
N[C@@H]1C[C@@H]([N+](=O)[O-])[C@@H](CO)O1	687756544	WWAITHCOLSFDCX-WDCZJNDASA-N	162.145	-1.302	5	10	AABE	
O=[N+]([O-])CCN[C@H](CO)CCO	1923787850	YZDPINBQJPVQGL-LURJTMIESA-N	178.188	-1.404	5	10	AABE	
Cn1[nH]c([N+](=O)[O-])nc1=NO	1953233065	FJFFRASJSSZLKT-UHFFFAOYSA-N	159.105	-1.054	5	10	AABE	
[BH3-][N+]12CCC(CC1)[C@H](O)C2	238677082	JPONBIJRNIZXBN-KDIYEYIXSA-N	141.023	-1.132	5	10	AABE	
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Cn1[nH]c(=N[C@@H]2C[C@H]2N)nc1[N+](=O)[O-]	1892898639	QWTNBHSUWJYDBK-QWWZWVQMSA-N	198.186	-1.343	5	10	AABE	
CNS(=O)(=O)N1CC([N+](=O)[O-])C1	1881205617	UGXGIOHAIFLOGD-UHFFFAOYSA-N	195.200	-1.589	5	10	AABE	
O=[N+]([O-])[C@H]1CNC(=S)N(CO)C1	687757109	YFXXMPSHUDQDGC-BYPYZUCNSA-N	191.212	-1.228	5	10	AABE	
O=[N+]([O-])[C@H](O)[C@@H](O)[N+](=O)[O-]	687806156	IBAOFEAFGBKGQX-JCYAYHJZSA-N	152.062	-1.823	5	10	AABE	
C[C@H](O)[C@H](O)CNCC[N+](=O)[O-]	905406699	YSNOAVALFYRYRJ-NTSWFWBYSA-N	178.188	-1.406	5	10	AABE	
O=c1nc(CO)[nH]c(O)c1[N+](=O)[O-]	36466747	IXNDXPJDTJOVML-UHFFFAOYSA-N	187.111	-1.124	5	10	AABE	
O=[N+]([O-])C[C@@H]1[C@H](O)OC[C@H](O)[C@@H]1O	702702540	MGDVKQBXIDEZRZ-UNTFVMJOSA-N	193.155	-2.050	5	10	AABE	
NCCN1CCN/C1=C\[N+](=O)[O-]	34060729	YFQNFDFZOUKLGV-AATRIKPKSA-N	172.188	-1.074	5	10	AABE	
O=[N+]([O-])CCNCC[C@@H](O)CO	1923796516	SWZOIROIYFEZQA-ZCFIWIBFSA-N	178.188	-1.404	5	10	AABE	
O=[N+]([O-])C[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O	687756526	QIRJBUVMCXSLDQ-BGPJRJDNSA-N	193.155	-2.255	5	10	AABE	
CO[C@@H](CO)CNCC[N+](=O)[O-]	1923850782	UZRMEJMNLNJZEJ-ZCFIWIBFSA-N	178.188	-1.140	5	10	AABE	
CNCCNC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	308724129	FTWXHUPAJYFVDB-NTSWFWBYSA-N	187.199	-1.013	5	10	AABE	
N[C@H](CN1CC([N+](=O)[O-])C1)C(=O)O	1883134071	KQGAQJKANOPCND-RXMQYKEDSA-N	189.171	-1.641	5	10	AABE	
C[N@+]12CC[C@H](O)[C@@]1(O)[C@@H](CO)CC2	307556738	UOVVQGLCSPJQFZ-KATARQTJSA-N	188.247	-1.102	5	10	AABE	
O=[N+]([O-])c1nnn(CO)n1	687756738	MLHSMHFPCVLIBN-UHFFFAOYSA-N	145.078	-1.469	5	10	AABE	
C[N+]1=C(CO)C([N+](=O)[O-])=NC1	725712396	MXGFQUFNOXRDIG-UHFFFAOYSA-N	158.137	-1.292	5	10	AABE	
O=C1CN(C[N+](=O)[O-])CCN1	306396968	IJGYOINZHWRKPC-UHFFFAOYSA-N	159.145	-1.348	5	10	AABE	
CO[C@H](CO)CNCC[N+](=O)[O-]	1923850781	UZRMEJMNLNJZEJ-LURJTMIESA-N	178.188	-1.140	5	10	AABE	
N[C@@H]1C[C@@H]1NC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	306647991	PVUPCXWZXLTQBY-ZXXMMSQZSA-N	185.183	-1.133	5	10	AABE	
CO[C@H](C[N+](=O)[O-])[C@@H](O)[C@@H](O)CO	687809262	BMIPOBWAQULTLI-JKUQZMGJSA-N	195.171	-2.008	5	10	AABE	
CNC[C@H](O)CN1CC([N+](=O)[O-])C1	1883146735	PNOJQLJUHSZYAN-ZETCQYMHSA-N	189.215	-1.472	5	10	AABE	
O=[N+]([O-])C1CNNC1	138745281	DSKQZAGEKYKKOH-UHFFFAOYSA-N	117.108	-1.261	5	10	AABE	
O=C(O)[N+](CCO)(CCO)CCO	144892187	WEYVJKLGDJFENI-UHFFFAOYSA-O	194.207	-1.542	5	10	AABE	
Cn1[nH]c([N+](=O)[O-])nc1=N[C@H]1C[C@@H]1N	1955368654	WLPWHINMMTYHKR-IMJSIDKUSA-N	198.186	-1.343	5	10	AABE	
NC(CO)(CO)[N+](=O)[O-]	104584832	RDGHCDJLVRAMNY-UHFFFAOYSA-N	136.107	-2.097	5	10	AABE	
CC([C@@H](O)C(=O)O)([N+](=O)[O-])[N+](=O)[O-]	687727672	PGPOVJRHAZBGFN-REOHCLBHSA-N	194.099	-1.299	5	10	AABE	
O=[N+]([O-])C[C@H](O)C[C@H](O)[C@@H](O)CO	687762750	WDHSDPQWMRDLBH-SRQIZXRXSA-N	195.171	-2.272	5	10	AABE	
O=[N+]([O-])[C@@H](O)[C@@H](O)CO	113028355	UHBVTTDRNVAOJD-HRFVKAFMSA-N	137.091	-2.065	5	10	AABE	
C[N+](C)(C)C[C@@H](O)CS(=O)(=O)O	39365163	IBMDQWXLGAOSCU-ZCFIWIBFSA-O	198.264	-1.059	5	10	AABE	
CN1C=C[C@](/C=C\C(N)=O)([N+](=O)[O-])N1	687727654	CNIQVWOAKXHPHY-XDVGHUOJSA-N	198.182	-1.035	5	10	AABE	
C[C@H]1O[C@H](C[N+](=O)[O-])[C@H](O)[C@H]1O	687757309	RXOWDIXKLLEFLK-ZXXMMSQZSA-N	177.156	-1.228	5	10	AABE	
O=[N+]([O-])C[C@H]1[C@H](O)O[C@H](CO)[C@@H]1O	687757529	IVOFUMSBRIKBMW-KVTDHHQDSA-N	193.155	-2.050	5	10	AABE	
CO[C@@H](C(=O)O)C([N+](=O)[O-])[N+](=O)[O-]	702810500	RLKCIAYFFUXUJU-UWTATZPHSA-N	194.099	-1.035	5	10	AABE	
NC(=O)[C@@H](N)Cn1ccc([N+](=O)[O-])n1	127821884	ANJPHNPEJITSMW-BYPYZUCNSA-N	199.170	-1.396	5	10	AABE	
C[C@H](O)[C@H](O)[C@@H](O)[C@H](O)C(=O)NO	385474869	AMKKFEFAJDVSIK-KLVWXMOXSA-N	195.171	-3.045	5	10	AABE	
N[S@@](=O)CC[N+](=O)[O-]	675071939	UJWGFDIGGJUYMI-QMMMGPOBSA-N	138.148	-1.115	5	10	AABE	
O=C(c1nn[nH]n1)N1CC([N+](=O)[O-])C1	1888891133	AJNHNUFHHOEDIK-UHFFFAOYSA-N	198.142	-1.699	5	10	AABE	
C[C@@H](O)C(=O)N1CC([N+](=O)[O-])C1	1881204239	ICJJMXDXMAFXIU-SCSAIBSYSA-N	174.156	-1.145	5	10	AABE	
NNc1nc(N)[nH]c(=O)c1[N+](=O)[O-]	104544196	FRFQYVDELFSSEU-UHFFFAOYSA-N	186.131	-1.454	5	10	AABE	
O=C1NCC[C@@H]1N1CC([N+](=O)[O-])C1	1883134126	LHWXKRIUSMWBFV-LURJTMIESA-N	185.183	-1.164	5	10	AABE	
Cn1[nH]c(=NC2COC2)nc1[N+](=O)[O-]	1892875483	XZYBHRKHHVRJCV-UHFFFAOYSA-N	199.170	-1.044	5	10	AABE	
O=[N+]([O-])C[C@H]1[C@H](O)OC[C@@H](O)[C@@H]1O	687757531	MGDVKQBXIDEZRZ-KVTDHHQDSA-N	193.155	-2.050	5	10	AABE	
CO[C@H](C(=O)O)C([N+](=O)[O-])[N+](=O)[O-]	702810496	RLKCIAYFFUXUJU-REOHCLBHSA-N	194.099	-1.035	5	10	AABE	
O=[N+]([O-])C1CN(CCOCCO)C1	1883145093	JTNSBHLQHKWBKY-UHFFFAOYSA-N	190.199	-1.044	5	10	AABE	
CN(C)N/C(=C\[N+](=O)[O-])NN	33935536	LLCWOMCUEVIWDT-ARJAWSKDSA-N	161.165	-1.409	5	10	AABE	
Cn1[nH]c([N+](=O)[O-])nc1=NC1COC1	1956309703	MWYYXHZCGXNBBF-UHFFFAOYSA-N	199.170	-1.044	5	10	AABE	
O=[N+]([O-])C1CN([C@@H]2CNC[C@H]2O)C1	1883146117	NUEZFWCBAWBIED-RNFRBKRXSA-N	187.199	-1.720	5	10	AABE	
O=C1CN(CC[N+](=O)[O-])CN1	1923789266	NPDBTRJFYVORHL-UHFFFAOYSA-N	159.145	-1.348	5	10	AABE	
O=C1CNC(=O)N1CC[N+](=O)[O-]	306454567	ZLTMJEXUEFHJKH-UHFFFAOYSA-N	173.128	-1.185	5	10	AABE	
C[N+](C)(C)[C@H](O)[C@@H](O)CC(=O)O	115499283	DZPFJAKFIHWWDD-CAHLUQPWSA-O	178.208	-1.153	5	10	AABE	
C[C@H](O)[C@H](O)[C@H](O)[C@@H](O)C[N+](=O)[O-]	687762907	KLJWLHWFCLMOPV-OMMKOOBNSA-N	195.171	-2.273	5	10	AABE	
NC[C@@H](O)CN1CC([N+](=O)[O-])C1	1881205958	WWARFJQHHIADHK-ZCFIWIBFSA-N	175.188	-1.733	5	10	AABE	
O=C(O)[C@@H](O)CN1CC([N+](=O)[O-])C1	1883133304	CREHQBQXZYLQNI-YFKPBYRVSA-N	190.155	-1.607	5	10	AABE	
C[N+](CCO)(CCO)C[C@H](O)CO	238487653	RHVCUGBWYKNFRD-QMMMGPOBSA-N	194.251	-2.229	5	10	AABE	
NC[C@H](C(=O)O)N1CC([N+](=O)[O-])C1	1883134830	YWDDYJFQVLYHHD-RXMQYKEDSA-N	189.171	-1.641	5	10	AABE	
NNC(N)=C([N+](=O)[O-])[N+](=O)[O-]	19333183	UZMNJGDNIQSSKC-UHFFFAOYSA-N	163.093	-1.912	5	10	AABE	
O=[N+]([O-])C[C@H]1OC[C@@H](O)[C@@H](O)[C@H]1O	36404711	KYBWIVQIHUYTAA-KAZBKCHUSA-N	193.155	-2.255	5	10	AABE	
CN/C(=C\[N+](=O)[O-])NCCO	224596958	ZYTCEMCJCXDIDE-SNAWJCMRSA-N	161.161	-1.137	5	10	AABE	
CC(CNCCO)([N+](=O)[O-])[N+](=O)[O-]	687728041	UQSKTDYQLGSCTO-UHFFFAOYSA-N	193.159	-1.162	5	10	AABE	
O=[N+]([O-])C[C@H]1OC[C@@H](O)[C@@H](O)[C@@H]1O	238677187	KYBWIVQIHUYTAA-KVTDHHQDSA-N	193.155	-2.255	5	10	AABE	
Nn1cc([N+](=O)[O-])c(=O)[nH]c1=O	34075805	ZITZICSCMABBTN-UHFFFAOYSA-N	172.100	-1.841	5	10	AABE	
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O=[N+]([O-])[C@@H]1[C@H](O)CO[C@@H](O)[C@@H]1O	687762796	NAQIIWGSCQZIAO-TXICZTDVSA-N	179.128	-2.298	5	10	AABE	
C[C@@H](CNN)[N@+]1([O-])CCNC1	1615167395	DRMYBQIFRCQHHX-WKEGUHRASA-N	160.221	-1.287	5	10	AABE	
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CO/C(N)=C(/c1nn[nH]n1)[N+](=O)[O-]	687728249	XRKDLJCNKATZAL-IHWYPQMZSA-N	186.131	-1.292	5	10	AABE	
O=[N+]([O-])/C=C1/NCCN1CCO	169489993	KCAVISIDSPWHEB-WAYWQWQTSA-N	173.172	-1.041	5	10	AABE	
Nc1no[n+]([O-])c1[N+](=O)[O-]	104570666	SQKUEPWQXLEUFM-UHFFFAOYSA-N	146.062	-1.202	5	10	AABE	
O=[N+]([O-])CCN1CCO[C@H](CO)C1	308244954	UXGVBGOWXILGPC-ZETCQYMHSA-N	190.199	-1.044	5	10	AABE	
O=[N+]([O-])c1nc2n(n1)C[C@@H](O)CO2	59096046	NTUQCEYDBOOMNT-GSVOUGTGSA-N	186.127	-1.060	5	10	AABE	
O=[N+]([O-])[C@H](O)C(O)[C@@H](O)[N+](=O)[O-]	34477111	VSOJWGJCPFPODA-PWNYCUMCSA-N	182.088	-2.463	5	10	AABE	
Nc1c([N+](=O)[O-])cnc(=O)n1O	6091146	QVLQTFWEBUBJLM-UHFFFAOYSA-N	172.100	-1.029	5	10	AABE	
COCC(CO)([N+](=O)[O-])[N+](=O)[O-]	687758303	QYWNTMJFRLOZJG-UHFFFAOYSA-N	180.116	-1.125	5	10	AABE	
NS(=O)(=O)CC[N+](=O)[O-]	1887598720	BMMAHUYZXFVHQF-UHFFFAOYSA-N	154.147	-1.448	5	10	AABE	
C[N+](C)(C)C[C@H](O)C[C@@H](O)C(=O)O	308207210	UHWJBLNYSAYMRH-RNFRBKRXSA-O	192.235	-1.111	5	10	AABE	
O=C(O)CNC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	308402065	JATSWSNWJUFLGX-IMJSIDKUSA-N	188.139	-1.148	5	10	AABE	
CC(CO)(CO)NCC[N+](=O)[O-]	1923678043	WNIWEIIZVPADQS-UHFFFAOYSA-N	178.188	-1.404	5	10	AABE	
CN[N+](=O)C(CO)(CO)[N+](=O)[O-]	687756902	ZZIWMBBIJKWFQG-UHFFFAOYSA-N	180.140	-2.143	5	10	AABE	
O=[N+]([O-])C[C@@H]1OC[C@H](O)[C@@H](O)[C@@H]1O	210323573	KYBWIVQIHUYTAA-UNTFVMJOSA-N	193.155	-2.255	5	10	AABE	
CO[C@@H]1O[C@H](CO)[C@@H]([N+](=O)[O-])[C@H]1O	687762923	RXSQNRRSXAOKMR-KVTDHHQDSA-N	193.155	-1.644	5	10	AABE	
N[C@H]1C[C@H]1C(=O)N1CC([N+](=O)[O-])C1	1883146467	OWYUYCVYHRBXNC-RITPCOANSA-N	185.183	-1.179	5	10	AABE	
O=[N+]([O-])C1NCCN1	116089391	LJOSITONLOZENU-UHFFFAOYSA-N	117.108	-1.261	5	10	AABE	
NC1=NC(=O)[C@H]2N=C([N+](=O)[O-])N=C2N1	222137872	LOVMRWYXRLZROJ-SFOWXEAESA-N	196.126	-2.156	5	10	AABE	
O=[N+]([O-])C(CO)(CO)n1ccnc1	3944780	NOQDZDUQSJJRMS-UHFFFAOYSA-N	187.155	-1.203	5	10	AABE	
NCC[N+]1([O-])CCNCC1	200500998	MLXKBMORRYVVGA-UHFFFAOYSA-N	145.206	-1.137	5	10	AABE	
N[C@@H](C[N+](=O)[O-])C(=O)O	100623186	IFWQINYRALMPEB-REOHCLBHSA-N	134.091	-1.325	5	10	AABE	
CN1[C@@H]([N+](=O)[O-])CN[C@H]1CO	1083816756	NXQQPGDZZKHJDB-UHNVWZDZSA-N	161.161	-1.557	5	10	AABE	
O=[N+]([O-])C[C@H](O)[C@@H](O)CO	702701120	CUOFQWZTSYDXKW-IMJSIDKUSA-N	151.118	-2.023	5	10	AABE	
NOCCN1CC([N+](=O)[O-])C1	1880384906	LFAIOQFTWMUOTR-UHFFFAOYSA-N	161.161	-1.162	5	10	AABE	
NNCC[N@@+]1([O-])CCNC1	1615166618	SKTZKHHHJKIEQM-VIFPVBQESA-N	146.194	-1.675	5	10	AABE	
C[C@H](CNN)[N@@+]1([O-])CCNC1	1615167393	DRMYBQIFRCQHHX-LHLIQPBNSA-N	160.221	-1.287	5	10	AABE	
C[C@H]([N+](=O)[O-])C1(O)CNC1	116327952	OESYPUAXISIGLV-BYPYZUCNSA-N	146.146	-1.014	5	10	AABE	
N[C@@H]1COC[C@H]1[N+](=O)[O-]	34241154	SWPSMRWBGZNFPO-QWWZWVQMSA-N	132.119	-1.011	5	10	AABE	
[BH3-][N@+]12CCC[C@@H](C1)[C@](O)(CN)C2	306835910	SBUTWWIZCUZIKI-DKCNOQQISA-N	170.065	-1.803	5	10	AABE	
NCCC[C@@](N)(C[N+](=O)[O-])C(=O)O	687728382	XCEYGTLWNGYTOJ-ZCFIWIBFSA-N	191.187	-1.216	5	10	AABE	
N[C@@H]1C[C@H]1C(=O)N1CC([N+](=O)[O-])C1	1883146466	OWYUYCVYHRBXNC-PHDIDXHHSA-N	185.183	-1.179	5	10	AABE	
NCCN1CCN/C1=C/[N+](=O)[O-]	117936252	YFQNFDFZOUKLGV-WAYWQWQTSA-N	172.188	-1.074	5	10	AABE	
C[N+](CCN)(CCN)CCN	140050269	IKAYUGXBQDAWFM-UHFFFAOYSA-N	161.273	-1.691	5	10	AABE	
CC1=NC2=NN=C([N+](=O)[O-])[C@@H](O)N2N1	687750257	UEDVBPGIRNQRQO-SCSAIBSYSA-N	198.142	-1.497	5	10	AABE	
NC[C@@H](O)C(=O)N1CC([N+](=O)[O-])C1	1883134800	YGESSDYTKLULBA-RXMQYKEDSA-N	189.171	-2.207	5	10	AABE	
COC(=O)C(=O)N1CC([N+](=O)[O-])C1	1883146530	PHDMBZDHTDTQFC-UHFFFAOYSA-N	188.139	-1.353	5	10	AABE	
O=[N+]([O-])C(F)([C@@H](O)CO)[N+](=O)[O-]	196023611	OAZIEDZHJZIGCP-REOHCLBHSA-N	184.079	-1.484	5	10	AABE	
O=[N+]([O-])/C=C/[C@@H](O)[C@H](O)[C@H](O)CO	706592061	CVSILEKPMLGIFA-NDMCQMBCSA-N	193.155	-2.148	5	10	AABE	
C[N@+]12CC[C@H](O)[C@]1(O)[C@@H](CO)CC2	307556742	UOVVQGLCSPJQFZ-RGOKHQFPSA-N	188.247	-1.102	5	10	AABE	
C[C@@H](C(N)=O)N1CC([N+](=O)[O-])C1	1881204656	LIKDDGPXNLATSH-BYPYZUCNSA-N	173.172	-1.179	5	10	AABE	
O=[N+]([O-])CCN[C@H]1COC[C@@H]1O	1923816436	MBLGHMDKWUDQBR-WDSKDSINSA-N	176.172	-1.388	5	10	AABE	
CN1CN(C)CC(CO)([N+](=O)[O-])C1	19327562	SZDUKOLBOWVRQF-UHFFFAOYSA-N	189.215	-1.171	5	10	AABE	
Nc1ncnc2c1=N[C@H]([N+](=O)[O-])N=2	307424627	DQGBKXJHOBGYEV-YFKPBYRVSA-N	180.127	-2.128	5	10	AABE	
O=C(CNS(=O)(=O)C1CC1)NO	388398004	KKEWVMVQYGIVNM-UHFFFAOYSA-N	194.212	-1.426	5	10	AABE	
O=[N+]([O-])[C@@H]1C[C@H](O)[C@H](O)[C@@H](O)[C@H]1O	687762723	MLLGPLISSSHYMU-URLGYRAOSA-N	193.155	-2.521	5	10	AABE	
O=C1C[C@H](N2CC([N+](=O)[O-])C2)C(=O)N1	1892478546	RLLCJOTWQIWUFK-YFKPBYRVSA-N	199.166	-1.638	5	10	AABE	
Cn1[nH]c(=N[C@@H]2C[C@@H]2N)nc1[N+](=O)[O-]	1892898638	QWTNBHSUWJYDBK-IUYQGCFVSA-N	198.186	-1.343	5	10	AABE	
O=[N+]([O-])CN1CCO[C@H](CO)C1	307571838	FEXZHOSWLNNOON-LURJTMIESA-N	176.172	-1.086	5	10	AABE	
Nc1c([N+](=O)[O-])c(N)[n+]([O-])c[n+]1[O-]	687727864	UGUPPFNUQHPIHO-UHFFFAOYSA-N	187.115	-1.974	5	10	AABE	
O=C(O)[C@@]1(O)C=C[C@@H]([N+](=O)[O-])O1	702809667	MOCHLPVBUQFGGH-WVZVXSGGSA-N	175.096	-1.051	5	10	AABE	
NCC([N+](=O)[O-])[N+](=O)[O-]	104568607	VBOZRIVJUWIREO-UHFFFAOYSA-N	135.079	-1.175	5	10	AABE	
C[N+](CO)(CO)CO	6469482	DRDCQJADRSJFFD-UHFFFAOYSA-N	122.144	-1.718	5	10	AABE	in-vivo
O=C([C@H]1C[C@H]1[N+](=O)[O-])N1CC(O)C1	307481969	LRAXIZQJFZQZBJ-NTSWFWBYSA-N	186.167	-1.145	5	10	AABE	
NC(=O)[C@@H](N)Cn1ccnc1[N+](=O)[O-]	702376083	WEXMLIATIFLYDX-BYPYZUCNSA-N	199.170	-1.396	5	10	AABE	
Cn1[nH]c(=NO)nc1[N+](=O)[O-]	1892895796	HCFMKJWLZLBKNZ-UHFFFAOYSA-N	159.105	-1.054	5	10	AABE	
O=[N+]([O-])[C@@H]1O[C@H]2[C@@H](OC[C@H]2O)[C@@H]1O	199066780	ICSGNSAOQIGBSZ-FDROIEKHSA-N	191.139	-1.891	5	10	AABE	
C[C@@]1(O)[C@@H]([N+](=O)[O-])CC[C@H](O)[C@H]1O	687762746	UXFZAIVGNZSLEO-VWDOSNQTSA-N	191.183	-1.102	5	10	AABE	
O=[N+]([O-])C1CN(S(=O)(=O)O)C1	1880382875	ASLQCVWAWWBKEN-UHFFFAOYSA-N	182.157	-1.250	5	10	AABE	
CN1N=C([N+](=O)[O-])[C@@H](O)n2ncnc21	702601098	YKSMZYKNSRDHHO-SCSAIBSYSA-N	198.142	-1.191	5	10	AABE	
O=C(O)CS(=O)(=O)CC[N+](=O)[O-]	687727240	FQABQZDJYLGEED-UHFFFAOYSA-N	197.168	-1.238	5	10	AABE	
C[N+](C)(CCO)C[C@@H](O)CO	34195471	XFIHFOKUSPUTEJ-SSDOTTSWSA-N	164.225	-1.592	5	10	AABE	
NCCOCCN1CC([N+](=O)[O-])C1	1883134496	RRZMHYCCWZEWRH-UHFFFAOYSA-N	189.215	-1.077	5	10	AABE