smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CC(=O)CCn1nccc1[N+](=O)[O-]	308135427	DXJXTZBCEQWCGN-UHFFFAOYSA-N	183.167	0.770	5	50	ACBA	
O=C(O)c1c(O)cccc1[N+](=O)[O-]	34411487	QICHZWUWPVMQTD-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	
C[N@@+]12CCCC[C@H]1CNC(=O)CC2	247693461	XZANKJFLTAKDDW-CABZTGNLSA-O	183.275	0.505	5	50	ACBA	
O=c1cnc2cc([N+](=O)[O-])ccc2[nH]1	5409228	OEAOPCQDVJKMQC-UHFFFAOYSA-N	191.146	0.831	5	50	ACBA	
CNC(=O)c1cc(O)cc([N+](=O)[O-])c1	231416040	XRTOPLBWRSNQLH-UHFFFAOYSA-N	196.162	0.660	5	50	ACBA	
CCOC(=O)c1cnc([N+](=O)[O-])n1C	13207564	VRARWXJAWCRJCX-UHFFFAOYSA-N	199.166	0.505	5	50	ACBA	
CC(=O)Cn1cc([N+](=O)[O-])cn1	49640	PKQRYSOYVRXKOH-UHFFFAOYSA-N	169.140	0.380	5	50	ACBA	in-vitro
COc1cccc(C(N)=O)c1[N+](=O)[O-]	1090562	MZGJDLQJIXSZRB-UHFFFAOYSA-N	196.162	0.702	5	50	ACBA	in-vitro
O=c1[nH]cnc2ccc([N+](=O)[O-])cc12	13496579	MOBNCKURXDGQCB-UHFFFAOYSA-N	191.146	0.831	5	50	ACBA	in-vitro
O=[N+]([O-])[C@@H](CO)[C@@H](O)c1ccccc1	6116234	KAPBNJZOLYDLQK-IUCAKERBSA-N	197.190	0.358	5	50	ACBA	
O=[N+]([O-])c1cnoc1	15782467	LLLMLGQOFWRRTH-UHFFFAOYSA-N	114.060	0.583	5	50	ACBA	in-vitro
COC(=O)c1ccncc1[N+](=O)[O-]	32303162	VFZBLITUPLITGH-UHFFFAOYSA-N	182.135	0.776	5	50	ACBA	in-vitro
CC(=O)c1cc(O)ncc1[N+](=O)[O-]	952876411	PVUSGPRCANOJSO-UHFFFAOYSA-N	182.135	0.898	5	50	ACBA	
CC(=O)CCC[N+](=O)[O-]	3190277	MBFOTTCUUAIBDW-UHFFFAOYSA-N	131.131	0.632	5	50	ACBA	
C[C@H]1NC(=O)C[C@H]2CCC[C@H]1[N+]2(C)C	101093777	PVAPXZDBDUMWPB-OPRDCNLKSA-O	197.302	0.892	5	50	ACBA	
COC(=O)c1cc([N+](=O)[O-])ccc1N	4272210	VOQBLPBLKSXCDB-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
NC[C@@H](O)c1ccc([N+](=O)[O-])cc1	374248	DZOWZBGCZPHHLM-MRVPVSSYSA-N	182.179	0.587	5	50	ACBA	in-vitro
Nc1cccnc1[N+](=O)[O-]	4085943	GZBKVUGZEAJYHH-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
C[C@H]1C[N+](C)(C)C[C@H](C)C1=O	1721942	FKHHEULYQKTXQD-YUMQZZPRSA-N	156.249	0.918	5	50	ACBA	
COc1nn(C)cc1[N+](=O)[O-]	95098479	PQCDQLCMCVXEHN-UHFFFAOYSA-N	157.129	0.337	5	50	ACBA	in-vitro
Nc1cc([N+](=O)[O-])cnc1N	33595183	JOQJNCSAEMIZOU-UHFFFAOYSA-N	154.129	0.154	5	50	ACBA	in-vitro
Nc1ncc(F)cc1[N+](=O)[O-]	19616072	LDYYBZNEWDTDEE-UHFFFAOYSA-N	157.104	0.711	5	50	ACBA	in-vitro
NC(=O)c1ccc([N+](=O)[O-])o1	1042801	JMXRGHVWQMFKQW-UHFFFAOYSA-N	156.097	0.287	5	50	ACBA	
O=C(O)c1cccc(O)c1[N+](=O)[O-]	1610714	KPDBKQKRDJPBRM-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	
O=[N+]([O-])c1cc(CO)ccc1O	36072263	IMLGJYRKLCMJPI-UHFFFAOYSA-N	169.136	0.793	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc(CO)ccc1CO	2164744	KWVHOBYJXDKIPL-UHFFFAOYSA-N	183.163	0.579	5	50	ACBA	in-vitro
COc1cnc([N+](=O)[O-])c(N)c1	231411191	AKNPJOKVOOPOLX-UHFFFAOYSA-N	169.140	0.581	5	50	ACBA	
O=[N+]([O-])c1cnc(OC2COC2)nc1	71791933	HPOSGZUMRCUCGL-UHFFFAOYSA-N	197.150	0.162	5	50	ACBA	
Nc1cc(O)ccc1[N+](=O)[O-]	39135218	WGEZJWMZNGUEHR-UHFFFAOYSA-N	154.125	0.883	5	50	ACBA	in-vitro
Cc1ncc([N+](=O)[O-])n1C[C@H](C)O	1843047	KPQZUUQMTUIKBP-YFKPBYRVSA-N	185.183	0.481	5	50	ACBA	fda
COC(=O)c1cnc(N)c([N+](=O)[O-])c1	34144558	DCFLDKSHKLPIQA-UHFFFAOYSA-N	197.150	0.359	5	50	ACBA	in-vitro
Cc1n[nH]cc1[N+](=O)[O-]	18166912	WTZYTQJELOHMMJ-UHFFFAOYSA-N	127.103	0.626	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc[n+]([O-])cc1	1680675	RXKNNAKAVAHBNK-UHFFFAOYSA-N	140.098	0.228	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc(CO)cc([N+](=O)[O-])c1	2567955	GPHYIQCSMDYRGJ-UHFFFAOYSA-N	198.134	0.995	5	50	ACBA	in-vitro
Cc1nccc(N)c1[N+](=O)[O-]	15684494	PWMOQGXCXFHJMF-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
COC(=O)c1ccc([N+](=O)[O-])n1C	26019812	XTRZUZWXTWKINM-UHFFFAOYSA-N	184.151	0.720	5	50	ACBA	
O=[N+]([O-])c1ccc(CO)o1	1081206	NDSTUUPEXNCUNW-UHFFFAOYSA-N	143.098	0.680	5	50	ACBA	
NC(=O)c1ccc([N+](=O)[O-])cc1F	26522358	MPYXSYLXWAVLLK-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnc2[nH]ncc2c1	35655623	RXLQRSOJODHPES-UHFFFAOYSA-N	164.124	0.866	5	50	ACBA	in-vitro
Nc1ccc(O)cc1[N+](=O)[O-]	4262549	IQXUIDYRTHQTET-UHFFFAOYSA-N	154.125	0.883	5	50	ACBA	in-vitro
C[C@@H]1NC(=O)C[C@H]2CCC[C@H]1[N+]2(C)C	101093774	PVAPXZDBDUMWPB-IVZWLZJFSA-O	197.302	0.892	5	50	ACBA	
Nc1ccc(C=O)cc1[N+](=O)[O-]	76914557	IIOCECYTBZBBAL-UHFFFAOYSA-N	166.136	0.990	5	50	ACBA	in-vitro
O=C(O)C1(CC[N+](=O)[O-])CCC1	1857785878	XMOCFAQTUUKSQZ-UHFFFAOYSA-N	173.168	0.908	5	50	ACBA	
COc1ccc([N+](=O)[O-])cn1	111369	WUPLOZFIOAEYMG-UHFFFAOYSA-N	154.125	0.998	5	50	ACBA	
O=C1CC[C@H](C[N+](=O)[O-])C1	85224422	OXUCMXDWKATUHP-YFKPBYRVSA-N	143.142	0.632	5	50	ACBA	
CCNC(=O)c1ccc([N+](=O)[O-])cn1	95495966	HUBAHLOHRNATIV-UHFFFAOYSA-N	195.178	0.740	5	50	ACBA	
O=c1[nH]cc(F)cc1[N+](=O)[O-]	8698153	BLFUHTOZIOQGBU-UHFFFAOYSA-N	158.088	0.422	5	50	ACBA	in-vitro
Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	19831064	QNZDCKBBTJYQDT-UHFFFAOYSA-N	184.111	0.480	5	50	ACBA	
CC(=O)Nc1ncccc1[N+](=O)[O-]	5283551	WSEDMMYPNMRUMU-UHFFFAOYSA-N	181.151	0.948	5	50	ACBA	in-vitro
O=c1[nH]ccc2ncc([N+](=O)[O-])cc12	208329189	MLPJIQYHSLWMLH-UHFFFAOYSA-N	191.146	0.831	5	50	ACBA	in-vitro
Cn1cc(F)cc([N+](=O)[O-])c1=O	98086057	WTGWOLKLHVCEOJ-UHFFFAOYSA-N	172.115	0.433	5	50	ACBA	
O=[N+]([O-])c1ccc(NCCO)cc1	4773987	VPRLWNAMKBZKRR-UHFFFAOYSA-N	182.179	0.999	5	50	ACBA	
O=C(O)c1ncc([N+](=O)[O-])[nH]1	5387418	LNPSXTPPQBEISL-UHFFFAOYSA-N	157.085	0.016	5	50	ACBA	
O=[N+]([O-])C[C@@H](O)c1ccncc1	98858	SGMASOGGNOSBGC-SSDOTTSWSA-N	168.152	0.392	5	50	ACBA	
O=C1Cc2c([N+](=O)[O-])ccnc2N1	169803944	WTLDHOARMFFBIQ-UHFFFAOYSA-N	179.135	0.484	5	50	ACBA	in-vitro
O=[N+]([O-])c1cccnc1	2559924	QLILRKBRWXALIE-UHFFFAOYSA-N	124.099	0.990	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnn(C2CC(O)C2)c1	584880238	OHZKMNHMLVKOLQ-UHFFFAOYSA-N	183.167	0.487	5	50	ACBA	
Cc1nc([N+](=O)[O-])c[nH]1	18172810	FFYTTYVSDVWNMY-UHFFFAOYSA-N	127.103	0.626	5	50	ACBA	in-vitro
O=[N+]([O-])c1cccc(OC2CNC2)c1	38580799	OBOGYFVCVNUEKT-UHFFFAOYSA-N	194.190	0.945	5	50	ACBA	in-vitro
Nc1c(C(=O)O)cccc1[N+](=O)[O-]	4311308	JJPIVRWTAGQTPQ-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	in-vitro
COC(=O)c1ccc(N)c([N+](=O)[O-])c1	5209909	HNTLUEZVPLRQEV-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc(CO)cc(CO)c1	1081091	FTLFITNFXXERLN-UHFFFAOYSA-N	183.163	0.579	5	50	ACBA	
O=C(O)c1cccc([N+](=O)[O-])c1O	1555336	WWWFHFGUOIQNJC-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	in-vitro
NCCCn1cc([N+](=O)[O-])cn1	2558408	ZRJCSYHOBOKAOR-UHFFFAOYSA-N	170.172	0.140	5	50	ACBA	
O=[N+]([O-])c1ccccc1[C@@H](O)CO	161987	AYVFQXVSRJXIDT-QMMMGPOBSA-N	183.163	0.621	5	50	ACBA	
COC(=O)Cn1cc([N+](=O)[O-])nc1C	269034	UBPSDJINTHTAGK-UHFFFAOYSA-N	199.166	0.273	5	50	ACBA	
C[N+](C)(C)C	967771	QEMXHQIAXOOASZ-UHFFFAOYSA-N	74.147	0.322	5	50	ACBA	in-vivo
CC(C)[N+](=O)[O-]	5167659	FGLBSLMDCBOPQK-UHFFFAOYSA-N	89.094	0.672	5	50	ACBA	in-vitro
CC(C)(CO)[N+](=O)[O-]	1758993	MVGJRISPEUZYAQ-UHFFFAOYSA-N	119.120	0.034	5	50	ACBA	
C[N@+]12CCCC[C@@H]1CNC(=O)CC2	247693460	XZANKJFLTAKDDW-BXKDBHETSA-O	183.275	0.505	5	50	ACBA	
NC(=O)/C=C/c1ccc([N+](=O)[O-])o1	2031338	IZFMIIGMIPRYKL-HNQUOIGGSA-N	182.135	0.686	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])nn1CCCN	12357751	KXNWEYIERAXIBS-UHFFFAOYSA-N	184.199	0.449	5	50	ACBA	
Nc1cccc([N+](=O)[O-])n1	33369605	JMAGBGSWLILKOC-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
O=[N+]([O-])[C@@H](CO)[C@H](O)c1ccccc1	38653789	KAPBNJZOLYDLQK-DTWKUNHWSA-N	197.190	0.358	5	50	ACBA	
NC(=O)c1ccc(O)cc1[N+](=O)[O-]	117417956	TZZJNCZYQPXOEI-UHFFFAOYSA-N	182.135	0.399	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc(NCCCO)nc1	20324366	PFIIECJLGFKFRT-UHFFFAOYSA-N	197.194	0.784	5	50	ACBA	in-vitro
O=C(O)c1cc([N+](=O)[O-])ccc1O	1555337	PPDRLQLKHRZIJC-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	in-vitro
COc1ncnc(OC)c1[N+](=O)[O-]	1039309	VPNSJECDVDBDTA-UHFFFAOYSA-N	185.139	0.402	5	50	ACBA	in-vitro
O=[N+]([O-])c1c(O)ccnc1O	12360011	BKYGVGWYPFVKTK-UHFFFAOYSA-N	156.097	0.401	5	50	ACBA	in-vitro
Cc1c[n+]([O-])ccc1[N+](=O)[O-]	1620653	SSOURMYKACOBIV-UHFFFAOYSA-N	154.125	0.537	5	50	ACBA	in-vitro
Cn1nccc1[N+](=O)[O-]	6072268	COVPJOWITGLAKX-UHFFFAOYSA-N	127.103	0.328	5	50	ACBA	
Cc1nn(CC(=O)O)c(C)c1[N+](=O)[O-]	126525	BFNTYPOJGJVSTK-UHFFFAOYSA-N	199.166	0.493	5	50	ACBA	in-vitro
NC(=O)c1cc(F)ccc1[N+](=O)[O-]	37669293	FIAHHCYZKNNOQH-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	in-vitro
Cc1nn(CC(=O)O)cc1[N+](=O)[O-]	2534190	XIXBNMMGKJHUJH-UHFFFAOYSA-N	185.139	0.184	5	50	ACBA	in-vitro
O=Cc1ncccc1[N+](=O)[O-]	1570360	ZERYBWXKTKFOBF-UHFFFAOYSA-N	152.109	0.802	5	50	ACBA	in-vitro
CCC[N+](=O)[O-]	1693429	JSZOAYXJRCEYSX-UHFFFAOYSA-N	89.094	0.673	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnccc1OCCO	95495973	VXSWGQCWDQHEPC-UHFFFAOYSA-N	184.151	0.361	5	50	ACBA	in-vitro
N#CNc1ncccc1[N+](=O)[O-]	64037952	HGSWSQWGJKCDSW-UHFFFAOYSA-N	164.124	0.883	5	50	ACBA	
COC(=O)c1c(N)cccc1[N+](=O)[O-]	5586657	NFPMHGVGDWXWRJ-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
O=C1NCc2cc([N+](=O)[O-])ccc21	71422935	CZXUANYPXDFFOG-UHFFFAOYSA-N	178.147	0.838	5	50	ACBA	in-vitro
Cn1ccc([N+](=O)[O-])n1	4293945	KLAQNTBUXCCZHC-UHFFFAOYSA-N	127.103	0.328	5	50	ACBA	in-vitro
Cc1c(N)cc(C(N)=O)cc1[N+](=O)[O-]	4708871	OEUCDBZNALWCBU-UHFFFAOYSA-N	195.178	0.584	5	50	ACBA	
Nc1ccc(O)c([N+](=O)[O-])c1	25723529	WHODQVWERNSQEO-UHFFFAOYSA-N	154.125	0.883	5	50	ACBA	in-vitro
NCC(=O)c1ccc([N+](=O)[O-])cc1	34758481	QGMHMZOHCYYHBA-UHFFFAOYSA-N	180.163	0.736	5	50	ACBA	in-vitro
O=[N+]([O-])c1c(F)ncnc1F	164960173	IVFJDFBMPCPALG-UHFFFAOYSA-N	161.067	0.663	5	50	ACBA	in-vitro
CCOC(=O)c1c([N+](=O)[O-])cnn1C	202528488	IFHXCLWXSRCTAX-UHFFFAOYSA-N	199.166	0.505	5	50	ACBA	in-vitro
C=CC(=O)NCCC[N+](C)(C)C	2564790	RUACIFFMSHZUKZ-UHFFFAOYSA-O	171.264	0.385	5	50	ACBA	in-vitro
Cc1nn(C)cc1[N+](=O)[O-]	85312	AKFKERAVXIGUNB-UHFFFAOYSA-N	141.130	0.637	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc([C@@H](O)CO)cc1	1459892	YOJHBFHEOQUUAR-QMMMGPOBSA-N	183.163	0.621	5	50	ACBA	in-vitro
O=c1[nH]cc([N+](=O)[O-])cc1Cl	14982394	GTOXJMNILNYXLE-UHFFFAOYSA-N	174.543	0.937	5	50	ACBA	in-vitro
O=C(Cn1cnc([N+](=O)[O-])c1)C1CC1	54560	WFXVMWKDTRWTSP-UHFFFAOYSA-N	195.178	0.770	5	50	ACBA	
COc1cc([N+](=O)[O-])ccc1C(N)=O	45957479	RBUYIBAYLUAHRQ-UHFFFAOYSA-N	196.162	0.702	5	50	ACBA	in-vitro
Cc1nc(N)ccc1[N+](=O)[O-]	19798353	BGMZTBKXOFFTBJ-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc(F)n[nH]1	299889479	JYGIQASGJKUOPB-UHFFFAOYSA-N	131.066	0.457	5	50	ACBA	
C[N+](C)(C)CCCC(=O)O	395560	JHPNVNIEXXLNTR-UHFFFAOYSA-O	146.210	0.557	5	50	ACBA	endogenous,world
O=[N+]([O-])c1ccccn1	8294941	HLTDBMHJSBSAOM-UHFFFAOYSA-N	124.099	0.990	5	50	ACBA	
O=C1Nc2c(cccc2[N+](=O)[O-])C1=O	5945431	GVZRFFXBGZSJTH-UHFFFAOYSA-N	192.130	0.730	5	50	ACBA	in-vitro
O=c1[nH]cc(Cl)cc1[N+](=O)[O-]	4262645	QVGQNICXNZMXQA-UHFFFAOYSA-N	174.543	0.937	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])cc1CO	33606697	XEALBFKUNCXFTO-UHFFFAOYSA-N	168.152	0.669	5	50	ACBA	in-vitro
COC(=O)[C@@H]1CCC[N+](C)(C)C1	2165320	WFSQXVBGPAYCDP-MRVPVSSYSA-N	172.248	0.646	5	50	ACBA	
COC(=O)c1[nH]ncc1[N+](=O)[O-]	4343026	ARAFBUCGMOKZMI-UHFFFAOYSA-N	171.112	0.105	5	50	ACBA	in-vitro
COC(=O)c1c([N+](=O)[O-])ncn1C	32222679	GMPRHTFNNVPEQS-UHFFFAOYSA-N	185.139	0.115	5	50	ACBA	
COC(=O)c1cnc([N+](=O)[O-])n1C	13282292	BQTWOZOPNUFRHG-UHFFFAOYSA-N	185.139	0.115	5	50	ACBA	in-vitro
COc1ccc([N+](=O)[O-])c(C(N)=O)c1	28278672	DUADCWAGDHAQRI-UHFFFAOYSA-N	196.162	0.702	5	50	ACBA	in-vitro
O=C(O)Cc1ccc([N+](=O)[O-])c(O)c1	118892611	USYXXSPSICUYRL-UHFFFAOYSA-N	197.146	0.928	5	50	ACBA	
C[N+](C)(C)CC[N+]1(C)CCCC1	390834926	SODRXEGDKXQAHE-UHFFFAOYSA-N	172.316	0.933	5	50	ACBA	
O=C(O)[C@@H]1[C@@H]([N+](=O)[O-])[C@@H]1C(F)(F)F	1535642549	NXEJLGSOLHZTHT-ZVHKOUPVSA-N	199.084	0.525	5	50	ACBA	
O=C(O)c1cc([N+](=O)[O-])n[nH]1	1295926	HKYHBMLIEAMWRO-UHFFFAOYSA-N	157.085	0.016	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])cc1C=O	4830929	BXXBQHFYNFGHNG-UHFFFAOYSA-N	166.136	0.990	5	50	ACBA	
C[N+](C)(C)[O-]	895494	UYPYRKYUKCHHIB-UHFFFAOYSA-N	75.111	0.190	5	50	ACBA	endogenous,world
Cc1ncc([N+](=O)[O-])n1CCCO	1846040	DUOHVNSMLSPTMI-UHFFFAOYSA-N	185.183	0.482	5	50	ACBA	in-man
COC(=O)C1CC[N+](C)(C)CC1	2900784	IBZUPTLHHRYQJZ-UHFFFAOYSA-N	172.248	0.646	5	50	ACBA	
O=[N+]([O-])c1cnc(O)c2[nH]cnc12	8740049	UPBLMGMIIRGNIK-UHFFFAOYSA-N	180.123	0.572	5	50	ACBA	biogenic
O=C(O)[C@@H]1[C@H]([N+](=O)[O-])[C@@H]1C(F)(F)F	1535642546	NXEJLGSOLHZTHT-MGGFGJSXSA-N	199.084	0.525	5	50	ACBA	
CC[C@](C)(CO)[N+](=O)[O-]	71773643	SEAMRWZKMYUKOI-RXMQYKEDSA-N	133.147	0.424	5	50	ACBA	
Cc1ccc([N+](=O)[O-])c(=O)[nH]1	8672873	YVYDGIGILRUPED-UHFFFAOYSA-N	154.125	0.592	5	50	ACBA	in-vitro
CC[C@@](C)(CO)[N+](=O)[O-]	71773642	SEAMRWZKMYUKOI-YFKPBYRVSA-N	133.147	0.424	5	50	ACBA	
O=C(O)Cc1ccc(O)c([N+](=O)[O-])c1	3861564	QBHBHOSRLDPIHG-UHFFFAOYSA-N	197.146	0.928	5	50	ACBA	in-man
CCn1cc([N+](=O)[O-])c(C(=O)OC)n1	12396085	HCXMLRVXGCCXIP-UHFFFAOYSA-N	199.166	0.598	5	50	ACBA	
C[N+](C)(C)CCCCC(=O)O	13356336	CDLVFVFTRQPQFU-UHFFFAOYSA-O	160.237	0.948	5	50	ACBA	
CC[C@@H](COC(C)=O)[N+](=O)[O-]	1715633	RLBLQZQADXRYKU-LURJTMIESA-N	161.157	0.605	5	50	ACBA	
Nc1cc([N+](=O)[O-])ccc1NCCO	4520949	OWMQBFHMJVSJSA-UHFFFAOYSA-N	197.194	0.581	5	50	ACBA	in-vitro
Nc1ncc([N+](=O)[O-])s1	8579229	MIHADVKEHAFNPG-UHFFFAOYSA-N	145.143	0.634	5	50	ACBA	in-vitro
Cc1c(N)cc([N+](=O)[O-])cc1C(N)=O	31623133	RBLRQBGOUCRKRT-UHFFFAOYSA-N	195.178	0.584	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccnc2[nH]ncc12	206020361	KFUONTSQILUGSY-UHFFFAOYSA-N	164.124	0.866	5	50	ACBA	
O=C(O)c1[nH]cnc1[N+](=O)[O-]	5642224	IQADWEQLYZUURU-UHFFFAOYSA-N	157.085	0.016	5	50	ACBA	in-vitro
O=[N+]([O-])C[C@H](O)c1ccccc1	2545712	XUEWIQNQPBSCOR-QMMMGPOBSA-N	167.164	0.997	5	50	ACBA	
COCC[N+]1(C)CCCC1	90555924	IDTCZPKYVMKLRZ-UHFFFAOYSA-N	144.238	0.873	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])cn2nnnc12	95495630	MXXSHJBYKGYDIG-UHFFFAOYSA-N	179.139	0.341	5	50	ACBA	in-vitro
CCOC(=O)Cn1ccc([N+](=O)[O-])n1	2381375	AOTWNAYPOPITHS-UHFFFAOYSA-N	199.166	0.354	5	50	ACBA	in-vitro
COC(=O)c1cncc([N+](=O)[O-])c1	26897736	QCOPSULUPWRTSS-UHFFFAOYSA-N	182.135	0.776	5	50	ACBA	
Cc1cc(O)c([N+](=O)[O-])c(=O)[nH]1	16267815	QIKWTNPFTOEELW-UHFFFAOYSA-N	170.124	0.297	5	50	ACBA	in-vitro
Nc1cccc([N+](=O)[O-])c1O	35974094	AACMNEWXGKOJJK-UHFFFAOYSA-N	154.125	0.883	5	50	ACBA	in-vitro
O=c1[nH]cc([N+](=O)[O-])cc1F	38537036	WKCYGBXTZFFWMY-UHFFFAOYSA-N	158.088	0.422	5	50	ACBA	in-vitro
O=[N+]([O-])c1nccn1C[C@H]1CO1	5460152	SYFMSLVOHQZYEB-YFKPBYRVSA-N	169.140	0.190	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])cc(C(=O)O)n1	14983220	ZTEYOLHGMGAMGQ-UHFFFAOYSA-N	182.135	0.996	5	50	ACBA	
O=[N+]([O-])c1cnc2cn[nH]c2c1	89219724	RWWPFTSMFSNMAL-UHFFFAOYSA-N	164.124	0.866	5	50	ACBA	
Cn1cccc([N+](=O)[O-])c1=O	331879	BDQAZNBCEXTXIW-UHFFFAOYSA-N	154.125	0.294	5	50	ACBA	in-vitro
Cc1nc([N+](=O)[O-])cn1CCO	343409	RSXWJXPKLRYMHW-UHFFFAOYSA-N	171.156	0.092	5	50	ACBA	
Cc1cc([N+](=O)[O-])cnc1C(=O)O	238554635	JJDGXHPKVXOWHN-UHFFFAOYSA-N	182.135	0.996	5	50	ACBA	
Nc1ccc(C(=O)O)c([N+](=O)[O-])c1	52613	SAJYSJVBNGUWJK-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	
COC(=O)c1ccc([N+](=O)[O-])o1	105234	UTLKCGPAJUYGOM-UHFFFAOYSA-N	171.108	0.974	5	50	ACBA	in-vitro
CN1CCC(=C[N+](=O)[O-])CC1	198020177	VTFBXJOHCHWVTC-UHFFFAOYSA-N	156.185	0.873	5	50	ACBA	
NC(=O)c1cc([N+](=O)[O-])ccc1F	37286047	BUTLXOOSCSREJN-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	
C[N@@+]12CCC[C@@H]1CC(=O)NCC2	247652239	NSJNXTNRNAJDOT-KCJUWKMLSA-O	169.248	0.115	5	50	ACBA	
CNC(=O)c1ncccc1[N+](=O)[O-]	104464009	VOPVQAGSCAREAA-UHFFFAOYSA-N	181.151	0.349	5	50	ACBA	
COC(=O)c1c[nH]c(=O)c([N+](=O)[O-])c1	8699911	ILGFGEIQCLRIBI-UHFFFAOYSA-N	198.134	0.070	5	50	ACBA	in-vitro
NC(=O)c1cc(F)cc([N+](=O)[O-])c1	43463444	QIQDJNUUWYCZFZ-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	
O=[N+]([O-])c1cnn2cccnc12	54931	FDOREHMGSRCRRM-UHFFFAOYSA-N	164.124	0.638	5	50	ACBA	in-vitro
CN(CCO)c1ccc([N+](=O)[O-])cn1	19926328	JMCDFZGHBZLEAP-UHFFFAOYSA-N	197.194	0.418	5	50	ACBA	in-vitro
CCn1cc([N+](=O)[O-])c(O)n1	1857787124	IGDCRLWHDIFIPE-UHFFFAOYSA-N	157.129	0.517	5	50	ACBA	
NOCc1ccc([N+](=O)[O-])cc1	169990	OJYSJFUYARGLPG-UHFFFAOYSA-N	168.152	0.985	5	50	ACBA	in-vitro
N[C@@H](C[N+](=O)[O-])C1CC1	1857785203	WIRPTIGYRJIAOA-YFKPBYRVSA-N	130.147	0.000	5	50	ACBA	
O=[N+]([O-])c1ccc([C@@H]2N[C@@H]2CO)cc1	169377450	WPEJVIRQAAQCFW-BDAKNGLRSA-N	194.190	0.600	5	50	ACBA	
Nc1cc(N2CCC2)ncc1[N+](=O)[O-]	669382624	FEAAAHWGXAOECU-UHFFFAOYSA-N	194.194	0.782	5	50	ACBA	
O=[N+]([O-])c1ccc(C2=NCCN2)cc1	608933	NOPHASKLMDZCSJ-UHFFFAOYSA-N	191.190	0.945	5	50	ACBA	
COC(CC[N+](=O)[O-])OC	2389961	MOKDVDXMMSCFHC-UHFFFAOYSA-N	149.146	0.272	5	50	ACBA	
O=[N+]([O-])c1cnc(O)c([N+](=O)[O-])c1	12359953	KSZZJOXNRQKULB-UHFFFAOYSA-N	185.095	0.604	5	50	ACBA	
C=CC(=O)OCC[N+](C)(C)C	2571944	AIUAMYPYEUQVEM-UHFFFAOYSA-N	158.221	0.422	5	50	ACBA	
Cc1[nH]nc(-n2ccnc2)c1[N+](=O)[O-]	3832825	QWDFKBAHUKCFLW-UHFFFAOYSA-N	193.166	0.812	5	50	ACBA	
COC(=O)c1nc[nH]c1[N+](=O)[O-]	4344034	YGTWILAKCGDEML-UHFFFAOYSA-N	171.112	0.105	5	50	ACBA	in-vitro
C[N+]1(C)[C@H]2CC[C@H]1CC(O)C2	100662424	RRDNENJAOYUEAK-YUMQZZPRSA-N	156.249	0.749	5	50	ACBA	biogenic
Cc1ncc([N+](=O)[O-])cc1N	71245226	BIGJOIAURNWIEW-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])c(F)c[n+]1[O-]	71256061	BWNXTHJYONDSFG-UHFFFAOYSA-N	172.115	0.676	5	50	ACBA	in-vitro
C[N+]1(C)[C@H]2CC[C@H]1CC(=O)C2	101093732	QSBSYQLWQDWROE-YUMQZZPRSA-N	154.233	0.957	5	50	ACBA	
Cc1cncc([N+](=O)[O-])c1N	40448438	BFOWXBARPYDGQE-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
C[N+](C)(C)[C@@H]1CCC=CNC(=O)C1	71786989	JUUNEDJRNWDKKQ-SECBINFHSA-O	183.275	0.875	5	50	ACBA	
O=C1NC(=O)c2c1cccc2[N+](=O)[O-]	6863552	BONIIQYTWOPUQI-UHFFFAOYSA-N	192.130	0.478	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnc(NC2CC2)nc1	40454315	ZOEPSDWGDFODDB-UHFFFAOYSA-N	180.167	0.959	5	50	ACBA	
Cc1ccnc([N+](=O)[O-])c1N	139607567	COULVCTZXWUPAG-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	
O=Cc1cc([N+](=O)[O-])ccn1	34324395	XWFNGAKFHUOJCQ-UHFFFAOYSA-N	152.109	0.802	5	50	ACBA	
O=[N+]([O-])[C@]1(Br)CCOC1	958528889	XVRPADLZZLNJEU-SCSAIBSYSA-N	196.000	0.775	5	50	ACBA	
Nc1cc(N)c([N+](=O)[O-])cn1	39135222	SXBHXFMYNOLWEC-UHFFFAOYSA-N	154.129	0.154	5	50	ACBA	
O=CC(=O)c1ccc([N+](=O)[O-])cc1	1579097	ILVKBBGIGNSVDO-UHFFFAOYSA-N	179.131	0.976	5	50	ACBA	
COc1cc(C(N)=O)cc([N+](=O)[O-])c1	4014195	WWUGAZZJZSTOBD-UHFFFAOYSA-N	196.162	0.702	5	50	ACBA	
C[N+]1(C)[C@H]2C=CC[C@H]1COC2	101042364	OQOXBOAQKBYUEA-IUCAKERBSA-N	154.233	0.790	5	50	ACBA	
Nc1cc2c(cc1[N+](=O)[O-])OCO2	3888819	TXZJXBGDLONQGP-UHFFFAOYSA-N	182.135	0.906	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccn[nH]1	95908461	MZRUFMBFIKGOAL-UHFFFAOYSA-N	113.076	0.318	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])cc(C)[n+]1[O-]	1680682	LFPUGENPUAERSG-UHFFFAOYSA-N	168.152	0.845	5	50	ACBA	in-vitro
CCn1ccc([N+](=O)[O-])n1	2537792	RWOWBWIASXSRFO-UHFFFAOYSA-N	141.130	0.811	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnc2c(c1)CNCC2	34266239	JGYRPWPCCHANJO-UHFFFAOYSA-N	179.179	0.636	5	50	ACBA	in-vitro
O=[N+]([O-])CCCC[N+](=O)[O-]	1598700	KWFGJLCFMKVZLQ-UHFFFAOYSA-N	148.118	0.320	5	50	ACBA	
N=C(N)c1ccc([N+](=O)[O-])cc1	2565176	RNYJYWQMEZWWPT-UHFFFAOYSA-N	165.152	0.879	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc([C@H]2N[C@H]2CO)cc1	169377453	WPEJVIRQAAQCFW-DTWKUNHWSA-N	194.190	0.600	5	50	ACBA	
CN/C(=C/[N+](=O)[O-])SC	1385210	YQFHPXZGXNYYLD-ARJAWSKDSA-N	148.187	0.644	5	50	ACBA	in-vitro
Cn1cc(C(=O)O)nc1[N+](=O)[O-]	204072495	RDYWOHVPHNTAKX-UHFFFAOYSA-N	171.112	0.027	5	50	ACBA	
Cn1nc([N+](=O)[O-])cc1C(=O)O	4344210	ZTTJIDURGGLBHQ-UHFFFAOYSA-N	171.112	0.027	5	50	ACBA	
COC(=O)c1ccc([N+](=O)[O-])nc1	98086068	PHIAHISRDZCZKN-UHFFFAOYSA-N	182.135	0.776	5	50	ACBA	in-vitro
CC(C)(CC(=O)O)C[N+](=O)[O-]	146571604	SFHNSYNSNUMGOO-UHFFFAOYSA-N	161.157	0.764	5	50	ACBA	
NNc1ncc(Cl)cc1[N+](=O)[O-]	83596838	UHYSNWKUKBMEHR-UHFFFAOYSA-N	188.574	0.929	5	50	ACBA	in-vitro
Cc1c([N+](=O)[O-])cnn1CC(=O)O	2534191	SXPATAJWIBDNQE-UHFFFAOYSA-N	185.139	0.184	5	50	ACBA	in-vitro
O=C1Nc2ccc([N+](=O)[O-])cc2C1=O	3860649	UNMYHYODJHKLOC-UHFFFAOYSA-N	192.130	0.730	5	50	ACBA	in-vivo
Nc1cc([N+](=O)[O-])ccn1	19851305	DBDHHHBAZZYVJG-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
O=Cc1ccc([N+](=O)[O-])[nH]1	1681946	LVXNJVISYFBVQR-UHFFFAOYSA-N	140.098	0.735	5	50	ACBA	
O=C(O)c1ccc(O)cc1[N+](=O)[O-]	40443067	FNDZIIJCKXGZJA-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])nn1CCC(=O)O	2534230	OYDQGYOBQLXBGH-UHFFFAOYSA-N	199.166	0.574	5	50	ACBA	
COc1ccc([N+](=O)[O-])c(N)n1	19735368	RDJILYVRVOTMTQ-UHFFFAOYSA-N	169.140	0.581	5	50	ACBA	
Cc1c([N+](=O)[O-])cc[n+]([O-])c1C	4831092	CFMTVTYBZMKULI-UHFFFAOYSA-N	168.152	0.845	5	50	ACBA	in-vitro
Cn1cncc1[N+](=O)[O-]	8294935	JLZXSFPSJJMRIX-UHFFFAOYSA-N	127.103	0.328	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc(O)ccc1CO	147816470	HNPPKJBKLPUPHI-UHFFFAOYSA-N	169.136	0.793	5	50	ACBA	
O=[N+]([O-])c1ccccc1[C@H](O)CO	161984	AYVFQXVSRJXIDT-MRVPVSSYSA-N	183.163	0.621	5	50	ACBA	
C[N+]1(C)CC[N+](C)(C)CC1	1691454	RONLMHFJDWTADA-UHFFFAOYSA-N	144.262	0.153	5	50	ACBA	
Cc1cc(NN)ncc1[N+](=O)[O-]	67796508	LCBASHANKPYGSP-UHFFFAOYSA-N	168.156	0.584	5	50	ACBA	
NC(=O)c1cncc([N+](=O)[O-])c1	28770466	NRIRFQSGTYJBCX-UHFFFAOYSA-N	167.124	0.089	5	50	ACBA	
C[N+]12CC[N+](F)(CC1)CC2	34408661	VBTIMLKMNBJEDE-UHFFFAOYSA-N	146.209	0.162	5	50	ACBA	
O=[N+]([O-])C[C@@H](O)c1ccccc1	54294	XUEWIQNQPBSCOR-MRVPVSSYSA-N	167.164	0.997	5	50	ACBA	
O=[N+]([O-])c1n[nH]cc1Cl	4086103	KXSYKRYVQOBQJM-UHFFFAOYSA-N	147.521	0.971	5	50	ACBA	in-vitro
COc1c(C(N)=O)cccc1[N+](=O)[O-]	125085827	VGIYIBRECHOFLC-UHFFFAOYSA-N	196.162	0.702	5	50	ACBA	
CC(=O)CC[N+](=O)[O-]	38265122	ZZUHQGCKXVUCFZ-UHFFFAOYSA-N	117.104	0.242	5	50	ACBA	in-vitro
Nc1cc([N+](=O)[O-])ccc1C=O	34175803	DKVANZONLCMNBC-UHFFFAOYSA-N	166.136	0.990	5	50	ACBA	
CNC(=O)c1ccc([N+](=O)[O-])cn1	95495962	ZZKZLRHPTKBJRR-UHFFFAOYSA-N	181.151	0.349	5	50	ACBA	
CCn1nccc1[N+](=O)[O-]	12395652	GOYNSKFWMUFADH-UHFFFAOYSA-N	141.130	0.811	5	50	ACBA	in-vitro
C[N+](C)(C)C[C@H]1CO1	1682434	LRQFRDLKOBFOSG-LURJTMIESA-N	116.184	0.091	5	50	ACBA	in-vitro
Nc1cc([N+](=O)[O-])c(N)c([N+](=O)[O-])c1	4880184	ZABRHWKDGNVNLW-UHFFFAOYSA-N	198.138	0.667	5	50	ACBA	
NC(=O)c1cc([N+](=O)[O-])ccc1N	4013991	SOBQOVZAFJDEJI-UHFFFAOYSA-N	181.151	0.276	5	50	ACBA	in-vitro
NC(=O)COc1ccccc1[N+](=O)[O-]	9953679	DVCVYHFEWYAJCP-UHFFFAOYSA-N	196.162	0.459	5	50	ACBA	
COC(=O)[C@H]1CCC[N+](C)(C)C1	1701694	WFSQXVBGPAYCDP-QMMMGPOBSA-N	172.248	0.646	5	50	ACBA	
CC1(C)[C@@H]([N+](C)(C)C)CS1(=O)=O	5052417	DAAMLCAHNHHOSF-ZETCQYMHSA-N	192.304	0.268	5	50	ACBA	
NOc1ccc([N+](=O)[O-])cc1	20159946	OOHKBWPOLBTKMR-UHFFFAOYSA-N	154.125	0.847	5	50	ACBA	in-vitro
CCOC(=O)Cc1n[nH]cc1[N+](=O)[O-]	34927097	PPPBSCSECSYZFK-UHFFFAOYSA-N	199.166	0.424	5	50	ACBA	
Nc1cccc([N+](=O)[O-])c1N	4087238	IOCXBXZBNOYTLQ-UHFFFAOYSA-N	153.141	0.759	5	50	ACBA	in-vitro
Nc1nc(Cl)ncc1[N+](=O)[O-]	4243102	RZGOEIWDMVQJBQ-UHFFFAOYSA-N	174.547	0.620	5	50	ACBA	in-vitro
Nc1cc(C(=O)O)c(O)c([N+](=O)[O-])c1	16383297	QKQMGEMTKMXWKQ-UHFFFAOYSA-N	198.134	0.581	5	50	ACBA	
Nc1c([N+](=O)[O-])cncc1[N+](=O)[O-]	19926305	IEUQRKITTGSLJL-UHFFFAOYSA-N	184.111	0.480	5	50	ACBA	in-vitro
Cn1cc(CC[N+](=O)[O-])cn1	307038369	HCQINFVFCKTSCK-UHFFFAOYSA-N	155.157	0.239	5	50	ACBA	
CCOC(=O)c1cc([N+](=O)[O-])[nH]n1	5129356	SNZZJCBTYCCHNG-UHFFFAOYSA-N	185.139	0.495	5	50	ACBA	
O=[N+]([O-])c1cccnc1OC1COC1	71791932	GNVZIPRMGVTJNB-UHFFFAOYSA-N	196.162	0.767	5	50	ACBA	
COc1[nH][n+](=O)c(C)cc1[N+](=O)[O-]	334138836	WCBUHPFCOJUTGQ-UHFFFAOYSA-N	186.147	0.154	5	50	ACBA	
O=[N+]([O-])c1cccc(CO)c1CO	97756622	RTBJYRKBTZNNLE-UHFFFAOYSA-N	183.163	0.579	5	50	ACBA	
C[N@@+]12CCCC[C@@H]1CNC(=O)CC2	247693924	XZANKJFLTAKDDW-SKDRFNHKSA-O	183.275	0.505	5	50	ACBA	
CCOC(=O)Cn1cc([N+](=O)[O-])cn1	28379	XDEFHGLUBFLYGV-UHFFFAOYSA-N	199.166	0.354	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc[n+]([O-])c2[nH]ccc12	32298270	AFJMMGUFUOHNCQ-UHFFFAOYSA-N	179.135	0.710	5	50	ACBA	in-vitro
CC(=O)OCC[N+](C)(C)C	3079336	OIPILFWXSMYKGL-UHFFFAOYSA-N	146.210	0.256	5	50	ACBA	endogenous,fda
Cc1c[nH]c(/C=C/[N+](=O)[O-])n1	142496784	LUGCPLXFLXRRNJ-NSCUHMNNSA-N	153.141	0.966	5	50	ACBA	
Nc1ccc(N)c([N+](=O)[O-])c1	3860651	HVHNMNGARPCGGD-UHFFFAOYSA-N	153.141	0.759	5	50	ACBA	in-vitro
COc1cccnc1[N+](=O)[O-]	2559368	LSXHCFSGOBFNDX-UHFFFAOYSA-N	154.125	0.998	5	50	ACBA	in-vitro
Cc1[nH]c(=O)c(C(=O)O)cc1[N+](=O)[O-]	15021964	NUVZYXLETRLZFB-UHFFFAOYSA-N	198.134	0.290	5	50	ACBA	
O=[N+]([O-])c1ccccc1-c1nnn[nH]1	32313328	HENCYJMPEDACFZ-UHFFFAOYSA-N	191.150	0.775	5	50	ACBA	in-vitro
O=[N+]([O-])c1cccc2no[n+]([O-])c12	1665949	VSSMHRXDWQQPOK-UHFFFAOYSA-N	181.107	0.369	5	50	ACBA	
CC(=O)CCn1cnc([N+](=O)[O-])n1	2511872	TVOPQTRZSBLUNV-UHFFFAOYSA-N	184.155	0.165	5	50	ACBA	in-vitro
Cn1nc(O)c([N+](=O)[O-])c1C(F)F	1535543612	GRHGKMKVQGVMNA-UHFFFAOYSA-N	193.109	0.972	5	50	ACBA	
C[n+]1cccc([N+](=O)[O-])c1	3165491	YZPXYIOAOCJBRV-UHFFFAOYSA-N	139.134	0.419	5	50	ACBA	
C[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@H]1O	8602481	UQOFGTXDASPNLL-DJLDLDEBSA-N	174.264	0.231	5	50	ACBA	endogenous,in-man
NC(=S)c1cc([N+](=O)[O-])ccc1N	26891703	FHYFXVGYNCGBAT-UHFFFAOYSA-N	197.219	0.811	5	50	ACBA	
C[N@+]12CCCC[C@@H]1CC(=O)NCC2	247639510	GCEWMGFMEGCHQV-BXKDBHETSA-O	183.275	0.505	5	50	ACBA	
O=C(O)c1cccnc1[N+](=O)[O-]	1692680	RIMQELJEDBHDQZ-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
CNC(=O)Cc1cccc([N+](=O)[O-])c1	144018413	AOZUATNZXGQECR-UHFFFAOYSA-N	194.190	0.883	5	50	ACBA	
C[N+](C)(C)C[C@H](O)CN1CCCC1	71785199	HNQDLNHTCKAABT-SNVBAGLBSA-N	187.307	0.149	5	50	ACBA	
COc1ncc([N+](=O)[O-])cc1C(=O)O	43220537	CKKHQPBRBNOKAQ-UHFFFAOYSA-N	198.134	0.697	5	50	ACBA	in-vitro
Cn1cc([N+](=O)[O-])cc([N+](=O)[O-])c1=O	3163064	QARVELJVEBLWGK-UHFFFAOYSA-N	199.122	0.202	5	50	ACBA	in-vitro
Cn1cnc([N+](=O)[O-])c1Cl	1081474	OSJUNMSWBBOTQU-UHFFFAOYSA-N	161.548	0.982	5	50	ACBA	in-vitro
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@@H]1O	13818253	UQOFGTXDASPNLL-CIUDSAMLSA-N	174.264	0.231	5	50	ACBA	endogenous,in-man
CCOC(=O)c1nc[nH]c1[N+](=O)[O-]	1414608	JFHZQABGMJXACV-UHFFFAOYSA-N	185.139	0.495	5	50	ACBA	in-vitro
Nc1c(C(=O)O)cncc1[N+](=O)[O-]	98175566	QSTHOKQQURERRT-UHFFFAOYSA-N	183.123	0.270	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnc2ncnc(O)c2c1	675050429	IHNPSZKFGZXAEL-UHFFFAOYSA-N	192.134	0.639	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])cn1	18810124	UGSBCCAHDVCHGI-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
CC[C@H](O)Cn1ccnc1[N+](=O)[O-]	118715536	DVJCWBSCEKRNCB-LURJTMIESA-N	185.183	0.562	5	50	ACBA	
C[N@@+]12CCC[C@H]1CC(=O)NCC2	247652241	NSJNXTNRNAJDOT-KWQFWETISA-O	169.248	0.115	5	50	ACBA	
NC(=O)c1cccc([N+](=O)[O-])c1N	34479693	RMLPQVFYXZMJES-UHFFFAOYSA-N	181.151	0.276	5	50	ACBA	
O=C(O)c1ccc([N+](=O)[O-])c(O)c1	164913	XLDLRRGZWIEEHT-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	
NNc1ncccc1[N+](=O)[O-]	4945865	QPDGBZPNEZMTOU-UHFFFAOYSA-N	154.129	0.275	5	50	ACBA	in-vitro
O=c1ccc([N+](=O)[O-])c[nH]1	8580643	XKWSQIMYNVLGBO-UHFFFAOYSA-N	140.098	0.283	5	50	ACBA	in-vitro
CC[N+](CC)(CC)CCO	394634	GZBUMTPCIKCWFW-UHFFFAOYSA-N	146.254	0.855	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc(CCO)nc1	146022069	TUDGEJIEPUQPCM-UHFFFAOYSA-N	168.152	0.525	5	50	ACBA	
NC(=O)c1c(F)cccc1[N+](=O)[O-]	38810453	FLYBIMSVHDXMGP-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	
Nc1cc([N+](=O)[O-])ccc1O	35051195	VLZVIIYRNMWPSN-UHFFFAOYSA-N	154.125	0.883	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc(CO)cc1O	34309598	YDFRYKXELURVHE-UHFFFAOYSA-N	169.136	0.793	5	50	ACBA	in-vitro
COc1n[nH]cc1[N+](=O)[O-]	5940147	GLNYWXCDHONDOZ-UHFFFAOYSA-N	143.102	0.327	5	50	ACBA	in-vitro
COC(=O)c1nn(C)cc1[N+](=O)[O-]	72233264	KRIOGKNOYPHJPC-UHFFFAOYSA-N	185.139	0.115	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc[nH]c1	2527916	LOJNBPNACKZWAI-UHFFFAOYSA-N	112.088	0.923	5	50	ACBA	in-vitro
COc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	7029732	FZGXTRQTCDZDIP-UHFFFAOYSA-N	199.122	0.907	5	50	ACBA	
CC[N+](C)(C)CCOC	60248449	KIJWMNYEVKNAGY-UHFFFAOYSA-N	132.227	0.729	5	50	ACBA	in-vitro
Cn1cc([N+](=O)[O-])c(Cl)n1	117934957	UEDIAFCRVLLBSS-UHFFFAOYSA-N	161.548	0.982	5	50	ACBA	
O=[N+]([O-])c1cccnc1NCCCO	20324424	DDDRGIDURANGDB-UHFFFAOYSA-N	197.194	0.784	5	50	ACBA	
Nc1ccc(C=O)c([N+](=O)[O-])c1	218848868	BFIVMQFWPKKQDE-UHFFFAOYSA-N	166.136	0.990	5	50	ACBA	
O=[N+]([O-])OCc1ccc([N+](=O)[O-])o1	2506785	IZUDEUAXDJRXOA-UHFFFAOYSA-N	188.095	0.896	5	50	ACBA	
Nc1ccc([N+](=O)[O-])c(C(=O)O)c1	4262487	KZZWQCKYLNIOBT-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	in-vitro
Nc1c(C=O)cccc1[N+](=O)[O-]	16678106	LDKGAMZVANIDGZ-UHFFFAOYSA-N	166.136	0.990	5	50	ACBA	in-vitro
O=C1NCc2ccc([N+](=O)[O-])cc21	28048487	QKFIHDGZIPOWKP-UHFFFAOYSA-N	178.147	0.838	5	50	ACBA	in-vitro
O=[N+]([O-])c1nccn1C[C@H]1C[C@@H](O)C1	1875271106	UJYRCRQDVAKQQW-KNVOCYPGSA-N	197.194	0.562	5	50	ACBA	
N[C@@H](C(=O)O)c1ccccc1[N+](=O)[O-]	26894896	CEBXNGWSHWJBHX-SSDOTTSWSA-N	196.162	0.679	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnc2c(c1)CCNC2	95642442	QJKGWLHMWFVSND-UHFFFAOYSA-N	179.179	0.636	5	50	ACBA	
Cc1nccc(C(=O)O)c1[N+](=O)[O-]	140913987	YYBWZXYDUSPFHH-UHFFFAOYSA-N	182.135	0.996	5	50	ACBA	in-vitro
CC[C@@H](O)[C@@H](CC)[N+](=O)[O-]	1666921	XIXNQTGGBNDDMJ-PHDIDXHHSA-N	147.174	0.813	5	50	ACBA	
Nc1ccnc([N+](=O)[O-])c1	2598995	ZPFUWAVLEWIOEJ-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
COC(=O)c1cc([N+](=O)[O-])[nH]n1	3908866	OTINMTPELZSAPX-UHFFFAOYSA-N	171.112	0.105	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])nc1	14982121	PLQFCJIRQJGPHR-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
COc1ccc(C(N)=O)c([N+](=O)[O-])c1	4530378	QBDIKLOJLSJNTM-UHFFFAOYSA-N	196.162	0.702	5	50	ACBA	in-vitro
Nc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O	1316284	QXYMVUZOGFVPGH-UHFFFAOYSA-N	199.122	0.791	5	50	ACBA	in-vitro
COc1cc(=O)[nH]cc1[N+](=O)[O-]	15021489	BBXOGUKAXIFZAE-UHFFFAOYSA-N	170.124	0.292	5	50	ACBA	in-vitro
Nc1cc([N+](=O)[O-])ccc1C(=O)O	88431	UEALKTCRMBVTFN-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])cn(C)c1=O	3122244	QMSGHJNATYWTIA-UHFFFAOYSA-N	168.152	0.602	5	50	ACBA	
O=[N+]([O-])c1cccc(OCCO)c1	2030297	GPYPMRCKTUAVQI-UHFFFAOYSA-N	183.163	0.966	5	50	ACBA	
Nc1cc(F)nc(F)c1[N+](=O)[O-]	39199504	KMDWOPYIFWBPRD-UHFFFAOYSA-N	175.094	0.850	5	50	ACBA	
Nc1cc([N+](=O)[O-])cc(C(=O)O)c1O	1845636	JFTUSFFYSRNFBA-UHFFFAOYSA-N	198.134	0.581	5	50	ACBA	
O=C1COc2cc([N+](=O)[O-])ccc2N1	3883811	YVGHCFMAEHXPBH-UHFFFAOYSA-N	194.146	0.926	5	50	ACBA	in-vitro
NC[C@H](O)c1ccc([N+](=O)[O-])cc1	374249	DZOWZBGCZPHHLM-QMMMGPOBSA-N	182.179	0.587	5	50	ACBA	in-vitro
CCC[C@@H](COC(C)=O)[N+](=O)[O-]	3074828	FCADDMKZOFYITK-ZETCQYMHSA-N	175.184	0.995	5	50	ACBA	
Nc1ncccc1[N+](=O)[O-]	19596908	BPYHGTCRXDWOIQ-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
O=[N+]([O-])c1c[nH]nc1Cl	95930244	GWCLPNSISWCBJD-UHFFFAOYSA-N	147.521	0.971	5	50	ACBA	in-vitro
O=[N+]([O-])C[C@@H](O)C1CC1	95080083	IWZPNMNTVFKFOH-RXMQYKEDSA-N	131.131	0.034	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnc(O)nc1	17174457	ZNNRVSOVVLYQBV-UHFFFAOYSA-N	141.086	0.090	5	50	ACBA	in-vitro
COC(=O)c1cn(C)c([N+](=O)[O-])n1	307709440	MHBBFGNBIFRFNR-UHFFFAOYSA-N	185.139	0.115	5	50	ACBA	
Cc1ccc([N+](=O)[O-])c(N)n1	19798352	LCJXSRQGDONHRK-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
COc1ccc(C(=O)O)nc1[N+](=O)[O-]	39084537	MMLQXQNVBQJPQC-UHFFFAOYSA-N	198.134	0.697	5	50	ACBA	in-vitro
NNc1cc([N+](=O)[O-])ccn1	43567544	QUHVJMLPHHAJHK-UHFFFAOYSA-N	154.129	0.275	5	50	ACBA	
Cc1cc(C)c([N+](=O)[O-])c(=O)[nH]1	4342603	NACUUHJKIYEVFA-UHFFFAOYSA-N	168.152	0.900	5	50	ACBA	in-vitro
COC(=O)c1ccc([N+](=O)[O-])cc1N	54303	VGURYVWLCVIMTF-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
NC(=O)c1ccc([N+](=O)[O-])cc1	163490	ZESWUEBPRPGMTP-UHFFFAOYSA-N	166.136	0.694	5	50	ACBA	in-vitro
Nc1cc(F)c([N+](=O)[O-])cc1N	4276879	QZNALIMEKAACKP-UHFFFAOYSA-N	171.131	0.898	5	50	ACBA	in-vitro
CC(=O)Cn1ccc([N+](=O)[O-])n1	60422	RIBGYLUDUASCIU-UHFFFAOYSA-N	169.140	0.380	5	50	ACBA	in-vitro
O=c1[nH]ccc(Cl)c1[N+](=O)[O-]	2598111	UKIZCTHOMJXNIX-UHFFFAOYSA-N	174.543	0.937	5	50	ACBA	in-vitro
NNc1ccc([N+](=O)[O-])cn1	12480789	DDWAPSXNXHYQLK-UHFFFAOYSA-N	154.129	0.275	5	50	ACBA	in-vitro
C[C@@H](CO)Nc1ccc([N+](=O)[O-])cn1	35199154	IFUIXZIUISLXKT-LURJTMIESA-N	197.194	0.783	5	50	ACBA	in-vitro
CCOC(=O)[C@H]1C[C@@H]1[N+](=O)[O-]	238267869	XYGGYQYMJUQDKO-WHFBIAKZSA-N	159.141	0.215	5	50	ACBA	
C[N@+]12CCC[C@@H]1CC(=O)NCC2	247652243	NSJNXTNRNAJDOT-LDYMZIIASA-O	169.248	0.115	5	50	ACBA	
CCOC(=O)c1[nH]nc(C)c1[N+](=O)[O-]	34936494	SEOSHNJYGNBYDJ-UHFFFAOYSA-N	199.166	0.803	5	50	ACBA	in-vitro
NC(=O)c1ccc(F)c([N+](=O)[O-])c1	32579460	XQKXDVBKKZWIAZ-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	in-vitro
C[N+](C)(C)CC[N+](C)(C)C	1720067	YIXVXFVKVAPMDM-UHFFFAOYSA-N	146.278	0.399	5	50	ACBA	
CCOC(=O)c1ncc([N+](=O)[O-])n1C	2511039	IFMBEWCVGFBHPO-UHFFFAOYSA-N	199.166	0.505	5	50	ACBA	in-vitro
NC(=O)c1cccc([N+](=O)[O-])c1O	40443141	FECMDSYYFNKSJZ-UHFFFAOYSA-N	182.135	0.399	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnn(C2CCNCC2)c1	43501223	NGFBJMZEUWOGNH-UHFFFAOYSA-N	196.210	0.716	5	50	ACBA	
O=[N+]([O-])c1ccc(O)cn1	2505875	LJFLBSBHQDJFQT-UHFFFAOYSA-N	140.098	0.695	5	50	ACBA	in-vitro
C[C@@H](O)C[N+](C)(C)C	901306	JPKKMFOXWKNEEN-ZCFIWIBFSA-N	118.200	0.073	5	50	ACBA	in-vitro
N[C@H](C(=O)O)c1cccc([N+](=O)[O-])c1	4202371	RJMYTHGQVJWWJO-ZETCQYMHSA-N	196.162	0.679	5	50	ACBA	
CC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	2518451	VJZWEQIULJNRTP-UHFFFAOYSA-N	197.194	0.997	5	50	ACBA	in-vitro
Cc1ncc([N+](=O)[O-])n1C	1307	IBXPYPUJPLLOIN-UHFFFAOYSA-N	141.130	0.637	5	50	ACBA	in-man
Nc1ncc([N+](=O)[O-])cc1C(=O)O	3958399	OVKURXPJUDVKKU-UHFFFAOYSA-N	183.123	0.270	5	50	ACBA	
Cc1ncc(C(=O)O)cc1[N+](=O)[O-]	96372373	GEVUGWURIMZLKE-UHFFFAOYSA-N	182.135	0.996	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc[nH]1	1561742	FTBBGQKRYUTLMP-UHFFFAOYSA-N	112.088	0.923	5	50	ACBA	in-vitro
O=c1cc[nH]cc1[N+](=O)[O-]	8581558	YUWOLBZMQDGRFV-UHFFFAOYSA-N	140.098	0.283	5	50	ACBA	in-vitro
CNc1nc(C(=O)O)ccc1[N+](=O)[O-]	164065368	RLKBOXRZLVUTPV-UHFFFAOYSA-N	197.150	0.730	5	50	ACBA	
Cc1nnc2ccc([N+](=O)[O-])cn12	95932458	XQIZRSFAUCUKGO-UHFFFAOYSA-N	178.151	0.946	5	50	ACBA	
Cc1cc([N+](=O)[O-])n[nH]1	100006832	ASURMMBYYOJOTQ-UHFFFAOYSA-N	127.103	0.626	5	50	ACBA	
CC[N+](=O)[O-]	8637290	MCSAJNNLRCFZED-UHFFFAOYSA-N	75.067	0.283	5	50	ACBA	in-vitro
COC(=O)c1cc([N+](=O)[O-])c[nH]c1=O	12471476	DLMMETCUQGSGOK-UHFFFAOYSA-N	198.134	0.070	5	50	ACBA	in-vitro
CC(=O)c1[nH]ncc1[N+](=O)[O-]	95830550	LJGXIJAVQQCOIP-UHFFFAOYSA-N	155.113	0.521	5	50	ACBA	
O=[N+]([O-])[C@@]1(Br)CCOC1	958528888	XVRPADLZZLNJEU-BYPYZUCNSA-N	196.000	0.775	5	50	ACBA	
O=c1cc(Cl)c([N+](=O)[O-])c[nH]1	33358771	VZBXTOUZMQUTIQ-UHFFFAOYSA-N	174.543	0.937	5	50	ACBA	
CCOCn1cc([N+](=O)[O-])cn1	66324289	SDEIRDJUCBOBTO-UHFFFAOYSA-N	171.156	0.785	5	50	ACBA	
CCn1ncc([N+](=O)[O-])c1C(=O)O	2389248	XGQDFPLXJYYOPA-UHFFFAOYSA-N	185.139	0.509	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnn([C@H]2CCOC2)c1	219576962	MVJNLXWEKHTMPZ-LURJTMIESA-N	183.167	0.753	5	50	ACBA	
CNC(=O)Cc1ccc([N+](=O)[O-])cc1	5668856	VTINDJIPKUJXNT-UHFFFAOYSA-N	194.190	0.883	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])cc1O	4253742	DOPJTDJKZNWLRB-UHFFFAOYSA-N	154.125	0.883	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])nn1CC(=O)O	4294591	LBYOSHLKRWXEKE-UHFFFAOYSA-N	185.139	0.184	5	50	ACBA	in-vitro
Nc1cncc([N+](=O)[O-])c1	14982119	YRWMMPVSSQFMRQ-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
COC(=O)[C@@H]1C[N+]2(C)CCC1CC2	6469490	BKJGNKLGBXHKTH-INWMGODYSA-N	184.259	0.646	5	50	ACBA	
Cc1n(C)c([N+](=O)[O-])c[n+]1C	15785026	WJMMAWYCJFDJAQ-UHFFFAOYSA-N	156.165	0.066	5	50	ACBA	
CCOC(=O)c1ncc([N+](=O)[O-])cn1	602993677	AJIMLVFVRUXVEG-UHFFFAOYSA-N	197.150	0.562	5	50	ACBA	
COC(=O)CCC(C)(C)[N+](=O)[O-]	1691721	MROVMGGCWUQHMR-UHFFFAOYSA-N	175.184	0.995	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])cc1N	3860878	RAUWPNXIALNKQM-UHFFFAOYSA-N	153.141	0.759	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1	1607036	YSTCMHHKDOVZDA-UHFFFAOYSA-N	174.543	0.882	5	50	ACBA	in-vitro
CC[C@@H]([C@H](O)CC)[N+](=O)[O-]	1666920	XIXNQTGGBNDDMJ-NTSWFWBYSA-N	147.174	0.813	5	50	ACBA	
NCc1cc([N+](=O)[O-])ccc1N	43160254	UZDTZHVLWHURHZ-UHFFFAOYSA-N	167.168	0.636	5	50	ACBA	in-vitro
COC(=O)[C@H]1C[N+]2(C)CCC1CC2	2519008	BKJGNKLGBXHKTH-YUCVTWSNSA-N	184.259	0.646	5	50	ACBA	
Nc1cc(N)cc([N+](=O)[O-])c1	1555407	DFWXYHZQNLIBLY-UHFFFAOYSA-N	153.141	0.759	5	50	ACBA	in-vitro
Cc1c([N+](=O)[O-])ccc(=O)n1C	71526668	FAQUMHSTXDBJPQ-UHFFFAOYSA-N	168.152	0.602	5	50	ACBA	
COc1cc([N+](=O)[O-])c(CO)cc1O	90516285	BREHZRPAACNKTR-UHFFFAOYSA-N	199.162	0.801	5	50	ACBA	in-vitro
Cc1cc(=O)[nH]cc1[N+](=O)[O-]	8698095	AIEHUZHKFUNHCJ-UHFFFAOYSA-N	154.125	0.592	5	50	ACBA	in-vitro
C[N@@+]12CCCC[C@H]1CC(=O)NCC2	247639512	GCEWMGFMEGCHQV-CABZTGNLSA-O	183.275	0.505	5	50	ACBA	
COc1cc(N)c([N+](=O)[O-])cn1	71256004	YVXWVLIBEUMASB-UHFFFAOYSA-N	169.140	0.581	5	50	ACBA	in-vitro
NNc1cccc([N+](=O)[O-])n1	238582237	CMYGHUYAKQXWLN-UHFFFAOYSA-N	154.129	0.275	5	50	ACBA	
Nc1ccc(C(=O)O)cc1[N+](=O)[O-]	4087631	ZZNAYFWAXZJITH-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	in-vitro
Cc1ccc([N+](=O)[O-])c(C(=O)O)n1	21985811	YNTRWMTUEBUEQM-UHFFFAOYSA-N	182.135	0.996	5	50	ACBA	
C[N+](C)(C)C[C@@H]1CO1	2033074	LRQFRDLKOBFOSG-ZCFIWIBFSA-N	116.184	0.091	5	50	ACBA	in-vitro
Cn1cc([N+](=O)[O-])c(C(=O)O)n1	4155208	OMMBYRSUPXNTEK-UHFFFAOYSA-N	171.112	0.027	5	50	ACBA	in-vitro
O=[N+]([O-])c1ncccc1O	96838587	QBPDSKPWYWIHGA-UHFFFAOYSA-N	140.098	0.695	5	50	ACBA	in-vitro
O=c1[nH]cnc2cc([N+](=O)[O-])ccc12	5581430	LPCJURLBTXOJHS-UHFFFAOYSA-N	191.146	0.831	5	50	ACBA	in-vitro
CCOC(=O)[C@H]1C[C@H]1[N+](=O)[O-]	238269224	XYGGYQYMJUQDKO-CRCLSJGQSA-N	159.141	0.215	5	50	ACBA	
C[C@@H](O)[C@@H](C)[N+](=O)[O-]	1758998	OJVOGABFNZDOOZ-QWWZWVQMSA-N	119.120	0.032	5	50	ACBA	in-vitro
Cc1c[n+]([O-])cc(C)c1[N+](=O)[O-]	1691450	VLKVMXPKEDVNBO-UHFFFAOYSA-N	168.152	0.845	5	50	ACBA	in-vitro
Nc1cc(C(=O)O)ccc1[N+](=O)[O-]	4367269	LYCCVBLUKJRDOF-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])c[nH]c1=O	8615863	FPTYZBDNBMVYCL-UHFFFAOYSA-N	154.125	0.592	5	50	ACBA	in-vitro
COc1ccc([N+](=O)[O-])[nH]c1=O	91365508	DTCBKUGKCBDPNG-UHFFFAOYSA-N	170.124	0.292	5	50	ACBA	
O=[N+]([O-])c1c(O)nc(C2CC2)nc1O	117019970	LODQXLJNUJXOHS-UHFFFAOYSA-N	197.150	0.673	5	50	ACBA	in-vitro
C[C@H]1C[N+](C)(C)C[C@@H](C)C1=O	16952643	FKHHEULYQKTXQD-OCAPTIKFSA-N	156.249	0.918	5	50	ACBA	
CC(=O)Nc1ccncc1[N+](=O)[O-]	5283613	YXAMTQAVAJACLQ-UHFFFAOYSA-N	181.151	0.948	5	50	ACBA	
Nc1cc(CO)cc([N+](=O)[O-])c1	34579637	QOQKOVFSUNXURX-UHFFFAOYSA-N	168.152	0.669	5	50	ACBA	in-vitro
CC1(C)NC(=O)CC[C@H]1[N+](=O)[O-]	253388064	AZLHHLQGTTXWKD-RXMQYKEDSA-N	172.184	0.320	5	50	ACBA	in-vitro
Nc1ccc(OCCO)cc1[N+](=O)[O-]	4280472	UTHUZYBSSBFPES-UHFFFAOYSA-N	198.178	0.548	5	50	ACBA	in-vitro
O=C(O)c1[nH]nc(Cl)c1[N+](=O)[O-]	67794500	SJKVXGMVUHWVIY-UHFFFAOYSA-N	191.530	0.670	5	50	ACBA	in-vitro
CC(=O)CC[N+](C)(C)C	1625668	NTWFHVOVQPKBES-UHFFFAOYSA-N	130.211	0.672	5	50	ACBA	in-vitro
Nc1ncc(C(=O)O)cc1[N+](=O)[O-]	5004575	JDDGLUVPISQPKN-UHFFFAOYSA-N	183.123	0.270	5	50	ACBA	in-vitro
COc1n[nH]c2ncc([N+](=O)[O-])cc12	95803681	QKCRVRSYXLBOET-UHFFFAOYSA-N	194.150	0.875	5	50	ACBA	
CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1	162397	CCRPAZWXXRIRRS-SECBINFHSA-N	196.206	0.848	5	50	ACBA	
O=[N+]([O-])c1ccc(-c2nnc(O)o2)o1	2038879	OWDANLZJJOCPBK-UHFFFAOYSA-N	197.106	0.943	5	50	ACBA	
Cc1nc(N)sc1[N+](=O)[O-]	4085887	NDWBXTNRCBNGAK-UHFFFAOYSA-N	159.170	0.942	5	50	ACBA	
Nc1c(O)cccc1[N+](=O)[O-]	4272219	KUCWUAFNGCMZDB-UHFFFAOYSA-N	154.125	0.883	5	50	ACBA	in-vitro
Cc1n[nH]c(-n2cccn2)c1[N+](=O)[O-]	370579	HLNJDVSYQOXJBP-UHFFFAOYSA-N	193.166	0.812	5	50	ACBA	
COC(=O)c1cc(N)c([N+](=O)[O-])cn1	40448622	UNPOGSAFUSHRDJ-UHFFFAOYSA-N	197.150	0.359	5	50	ACBA	in-vitro
Cc1nc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]	19802575	KWYALJWSYDOZON-UHFFFAOYSA-N	198.138	0.789	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc2nncn2c1	4946224	HJWJREFDGWBRFD-UHFFFAOYSA-N	164.124	0.638	5	50	ACBA	in-vitro
CC1(C)NC(=O)CC[C@@H]1[N+](=O)[O-]	253388065	AZLHHLQGTTXWKD-YFKPBYRVSA-N	172.184	0.320	5	50	ACBA	in-vitro
N=C(N)c1cccc([N+](=O)[O-])c1	155927	BAAYGBNLZPDGJS-UHFFFAOYSA-N	165.152	0.879	5	50	ACBA	in-vitro
CC(C)(CO)n1cnc([N+](=O)[O-])c1	142783004	YYZFVYWKCCAZTP-UHFFFAOYSA-N	185.183	0.519	5	50	ACBA	
Nc1ncnc(Cl)c1[N+](=O)[O-]	3866077	BWLOHIMQWHFSQF-UHFFFAOYSA-N	174.547	0.620	5	50	ACBA	in-vitro
O=[N+]([O-])[C@H](CO)[C@H](O)c1ccccc1	34562784	KAPBNJZOLYDLQK-RKDXNWHRSA-N	197.190	0.358	5	50	ACBA	
COc1ncccc1[N+](=O)[O-]	124618	WZNQCVOSOCGWJG-UHFFFAOYSA-N	154.125	0.998	5	50	ACBA	in-vitro
O=C1COc2cc([N+](=O)[O-])cnc2N1	201364884	UIYHPQBVSFDSRL-UHFFFAOYSA-N	195.134	0.321	5	50	ACBA	
CC[N+]1(C)CCOCC1	1681600	NWORVTSPNLVHSH-UHFFFAOYSA-N	130.211	0.483	5	50	ACBA	in-vitro
NCCOc1ccc([N+](=O)[O-])cc1	15021079	HIEVUCALPWFEFA-UHFFFAOYSA-N	182.179	0.932	5	50	ACBA	in-vitro
NC(=O)c1cc(CO)cc([N+](=O)[O-])c1	115389052	KLYVKCAVCJRGCE-UHFFFAOYSA-N	196.162	0.186	5	50	ACBA	
Cc1c([N+](=O)[O-])c(C(=O)O)nn1C	4294639	MPGVPPJLEAXGNP-UHFFFAOYSA-N	185.139	0.335	5	50	ACBA	in-vitro
Cc1cnc(CC(=O)O)c([N+](=O)[O-])c1	132947869	KFSNHIHTLVXZEA-UHFFFAOYSA-N	196.162	0.925	5	50	ACBA	
O=C(O)c1ncccc1[N+](=O)[O-]	14983393	ZUUJWCKWJJGJOE-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
CC(C)(C)n1cnc([N+](=O)[O-])n1	79065565	BPLNOVCERPNHDL-UHFFFAOYSA-N	170.172	0.941	5	50	ACBA	
CC(C)(CO)[N+](C)(C)C	402584	ROYKZFRTYJMWFE-UHFFFAOYSA-N	132.227	0.464	5	50	ACBA	
CC(C)(C)OC(=O)CC[N+](=O)[O-]	38234400	QHYQEYIFTIIWFH-UHFFFAOYSA-N	175.184	0.995	5	50	ACBA	
O=[N+]([O-])c1n[nH]c2ncccc12	66322757	BAUHQAOOAIVBTO-UHFFFAOYSA-N	164.124	0.866	5	50	ACBA	
N[C@H](CO)Cc1cccc([N+](=O)[O-])c1	141937111	SNRJFODLMSOJIX-QMMMGPOBSA-N	196.206	0.457	5	50	ACBA	
CC1(C)[C@H]([N+](C)(C)C)CS1(=O)=O	1725395	DAAMLCAHNHHOSF-SSDOTTSWSA-N	192.304	0.268	5	50	ACBA	
C[C@H](C[N+](C)(C)C)OC(N)=O	3830314	NZUPCNDJBJXXRF-ZCFIWIBFSA-O	161.225	0.176	5	50	ACBA	fda
CC(C)(C#N)C[N+](=O)[O-]	165529615	BFVYOMJBPKPNJX-UHFFFAOYSA-N	128.131	0.813	5	50	ACBA	
O=[N+]([O-])c1ccc(OCCO)cc1	1661138	YAPAEYFBLRVUMH-UHFFFAOYSA-N	183.163	0.966	5	50	ACBA	
Cc1[nH]nc(C(=O)O)c1[N+](=O)[O-]	5116076	RFGSRUNVFVKCGD-UHFFFAOYSA-N	171.112	0.325	5	50	ACBA	in-vitro
Nc1ccnc(N)c1[N+](=O)[O-]	19802592	LXNNKGSAWMJWJN-UHFFFAOYSA-N	154.129	0.154	5	50	ACBA	in-vitro
C[N+](C)(C)CC1(CO)CC1	71777958	FRFRFCARJKGWLR-UHFFFAOYSA-N	144.238	0.465	5	50	ACBA	
O=[N+]([O-])C(CO)(CO)c1ccccc1	134523	AJRYCRIQZBMNEO-UHFFFAOYSA-N	197.190	0.143	5	50	ACBA	
Cc1c([N+](=O)[O-])cnn1C	832307	NYTRTJLAGHYGLE-UHFFFAOYSA-N	141.130	0.637	5	50	ACBA	
O=C(O)c1cncc([N+](=O)[O-])c1	1436100	TZAGBVHIUUFVCJ-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc(-n2cnnn2)cc1	238757	NHYHTYJIILODSA-UHFFFAOYSA-N	191.150	0.571	5	50	ACBA	in-vitro
CC(C)(O)CCn1ccnc1[N+](=O)[O-]	702338312	IKCJVJKTTIFJHH-UHFFFAOYSA-N	199.210	0.952	5	50	ACBA	
O=C(O)c1cccc([N+](=O)[O-])n1	2599035	MIHFOFLNJIPDRY-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
COc1ncc(C(=O)O)cc1[N+](=O)[O-]	86492543	UGHLUFXYOCSNRJ-UHFFFAOYSA-N	198.134	0.697	5	50	ACBA	
O=C(O)c1cc([N+](=O)[O-])c[nH]1	2527976	SNWGRRCTCGASCN-UHFFFAOYSA-N	156.097	0.621	5	50	ACBA	in-vitro
O=[N+]([O-])CCn1nnc2ccccc21	6886174	KXBLIYWEWXAPHP-UHFFFAOYSA-N	192.178	0.708	5	50	ACBA	
O=[N+]([O-])c1ccc(O)c(CO)c1	36480227	JEIYIXDNZKATLC-UHFFFAOYSA-N	169.136	0.793	5	50	ACBA	in-vitro
Cn1c([N+](=O)[O-])cnc1C(C)(C)O	25724189	DTHPMNDYKOSVFR-UHFFFAOYSA-N	185.183	0.556	5	50	ACBA	in-vitro
NC1(c2cccc([N+](=O)[O-])c2)COC1	95630852	SFNGYCGXEXXQOK-UHFFFAOYSA-N	194.190	0.779	5	50	ACBA	
O=[N+]([O-])c1ccc([C@H](O)CO)cc1	1459891	YOJHBFHEOQUUAR-MRVPVSSYSA-N	183.163	0.621	5	50	ACBA	in-vitro
Cc1cc(C(=O)O)ncc1[N+](=O)[O-]	38540969	WRCSKWMCSRGUTG-UHFFFAOYSA-N	182.135	0.996	5	50	ACBA	in-vitro
Cc1ncn(C)c1[N+](=O)[O-]	5116108	FEGUTYIXCZDKJV-UHFFFAOYSA-N	141.130	0.637	5	50	ACBA	in-vitro
NCCOc1ccccc1[N+](=O)[O-]	34071221	OGGXRSWZKCEKMX-UHFFFAOYSA-N	182.179	0.932	5	50	ACBA	in-vitro
CC(Cl)([N+](=O)[O-])[N+](=O)[O-]	31622917	WCEVKBJRFBEDHR-UHFFFAOYSA-N	154.509	0.452	5	50	ACBA	
COC(=O)c1ccc([N+](=O)[O-])c(N)c1	34759534	ZGVYPBINPLNBDH-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
O=C(CO)c1ccc([N+](=O)[O-])cc1	169831	DRGHCHSDUDQWHJ-UHFFFAOYSA-N	181.147	0.770	5	50	ACBA	in-vitro
Cn1ccnc1[N+](=O)[O-]	13207526	HBMINVNVQUDERA-UHFFFAOYSA-N	127.103	0.328	5	50	ACBA	in-vitro
CCOc1ccc([N+](=O)[O-])c(N)n1	39433991	FOGGQBVTIHSOGZ-UHFFFAOYSA-N	183.167	0.971	5	50	ACBA	
O=C1COc2ccc([N+](=O)[O-])nc2N1	82699284	JANHQSAAMLBUOH-UHFFFAOYSA-N	195.134	0.321	5	50	ACBA	in-vitro
O=[N+]([O-])C[C@H]1CCCCO1	72424479	KQZCMSSTZPLPJK-ZCFIWIBFSA-N	145.158	0.832	5	50	ACBA	
O=[N+]([O-])C1(Br)COC1	958528927	YRXHPDFQJMCAOI-UHFFFAOYSA-N	181.973	0.385	5	50	ACBA	
N[C@H](C(=O)O)c1ccccc1[N+](=O)[O-]	26894899	CEBXNGWSHWJBHX-ZETCQYMHSA-N	196.162	0.679	5	50	ACBA	in-vitro
O=[N+]([O-])c1c[nH]c(Cl)n1	5425251	BOJZBRDIZUHTCE-UHFFFAOYSA-N	147.521	0.971	5	50	ACBA	in-vitro
O=C(O)c1cc([N+](=O)[O-])ccn1	2556888	USTVSOYPMQZLSA-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
NC(=O)c1c(N)cccc1[N+](=O)[O-]	82046663	VSBVFLVLPDTKPJ-UHFFFAOYSA-N	181.151	0.276	5	50	ACBA	
Cc1ncc([N+](=O)[O-])n1C[C@@H](C)O	711	KPQZUUQMTUIKBP-RXMQYKEDSA-N	185.183	0.481	5	50	ACBA	fda
Cc1cc([N+](=O)[O-])c(Cl)[nH][n+]1=O	334138784	CZTXNNCNHQFNQF-UHFFFAOYSA-N	190.566	0.799	5	50	ACBA	
Cc1cc(N)ncc1[N+](=O)[O-]	19118397	GRBBNZYMXKTQAI-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	
O=C(O)C1(CC[N+](=O)[O-])CC1	1857785711	KWRZRQRSZPSFPW-UHFFFAOYSA-N	159.141	0.518	5	50	ACBA	
Cn1cc(Cl)cc([N+](=O)[O-])c1=O	85385125	REFCXSMHSAHMQJ-UHFFFAOYSA-N	188.570	0.947	5	50	ACBA	
CC(=O)SCC[N+](C)(C)C	163689	GFFIJCYHQYHUHB-UHFFFAOYSA-N	162.278	0.972	5	50	ACBA	in-vitro
Cc1ncc([N+](=O)[O-])cc1C(=O)O	1728920	QGKUVJPQLXSHQZ-UHFFFAOYSA-N	182.135	0.996	5	50	ACBA	in-vitro
CCC(C)(C[N+](=O)[O-])C[N+](=O)[O-]	2166661	VUBOCRBRIDCPDX-UHFFFAOYSA-N	176.172	0.956	5	50	ACBA	
O=[N+]([O-])c1ccnc(CO)c1	21985729	HFSUHEWRFBAVHH-UHFFFAOYSA-N	154.125	0.482	5	50	ACBA	in-vitro
COC(=O)c1cc([N+](=O)[O-])cnc1N	71863911	OUMPFIBIUJBCAH-UHFFFAOYSA-N	197.150	0.359	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])c2nncn2c1	16123702	XNJFZJNTYXYHCP-UHFFFAOYSA-N	178.151	0.946	5	50	ACBA	in-vitro
O=[N+]([O-])CCO[C@H]1CCCCO1	155437	KQDXRRAVDLIMGM-ZETCQYMHSA-N	175.184	0.806	5	50	ACBA	in-vitro
O=[N+]([O-])c1ncc[nH]1	1481980	YZEUHQHUFTYLPH-UHFFFAOYSA-N	113.076	0.318	5	50	ACBA	biogenic,in-vitro
O=C(O)c1ccc(O)c([N+](=O)[O-])c1	156013	QRYSWXFQLFLJTC-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	in-vitro
N[C@@H](C(=O)O)c1cccc([N+](=O)[O-])c1	4204144	RJMYTHGQVJWWJO-SSDOTTSWSA-N	196.162	0.679	5	50	ACBA	
Cc1nc[nH]c1[N+](=O)[O-]	1583149	WSYOWIMKNNMEMZ-UHFFFAOYSA-N	127.103	0.626	5	50	ACBA	
C[C@@H]1C[N+](C)(C)C[C@@H](C)C1=O	1721941	FKHHEULYQKTXQD-HTQZYQBOSA-N	156.249	0.918	5	50	ACBA	
O=[N+]([O-])C1CCC2(CC1)OCCO2	97759116	QWKNDRYGFOFRES-UHFFFAOYSA-N	187.195	0.949	5	50	ACBA	in-vitro
O=[N+]([O-])C=C1CCNCC1	675062529	HLWBWBQFUXINOW-UHFFFAOYSA-N	142.158	0.530	5	50	ACBA	
O=C1COc2ccc([N+](=O)[O-])cc2N1	168432	UNYXDJBNODSRRC-UHFFFAOYSA-N	194.146	0.926	5	50	ACBA	in-vitro
NCCNc1ccc([N+](=O)[O-])cn1	3860908	ODHSPTHLPCXPTL-UHFFFAOYSA-N	182.183	0.360	5	50	ACBA	
CCOC(=O)CC[N+](=O)[O-]	14614148	IIJLLHGPEZBIIT-UHFFFAOYSA-N	147.130	0.216	5	50	ACBA	in-vitro
Nc1cccc([N+](=O)[O-])c1C(=O)O	1669671	GGKYLHNARFFORH-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	
COCCCn1cc([N+](=O)[O-])cn1	71978651	PDJSBKPIYPPZBI-UHFFFAOYSA-N	185.183	0.828	5	50	ACBA	in-vitro
COC(=O)c1ccc(N)cc1[N+](=O)[O-]	15108786	CWNMNVHDDCDSPU-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
Nc1cc(F)cnc1[N+](=O)[O-]	307653408	PNSLUFROAZSUSE-UHFFFAOYSA-N	157.104	0.711	5	50	ACBA	
O=c1cn[nH]c2ccc([N+](=O)[O-])cc12	34611717	KHKIQKVEMYQXLZ-UHFFFAOYSA-N	191.146	0.831	5	50	ACBA	
O=C1NCCc2ccc([N+](=O)[O-])cc21	39409444	QJSWPNBVJSANQK-UHFFFAOYSA-N	192.174	0.881	5	50	ACBA	
Cc1c[nH]nc1[N+](=O)[O-]	9356400	AGGNMPUDFUROJT-UHFFFAOYSA-N	127.103	0.626	5	50	ACBA	in-vitro
COC(=O)c1nc([N+](=O)[O-])c[nH]1	144363711	RUNYGZZHAZODCR-UHFFFAOYSA-N	171.112	0.105	5	50	ACBA	
O=Cc1cc([N+](=O)[O-])c(O)cc1O	151796	MWDICCJVJOMHSI-UHFFFAOYSA-N	183.119	0.819	5	50	ACBA	
O=Cc1ccc([N+](=O)[O-])cn1	21985566	NBHKYBWIGBFSRE-UHFFFAOYSA-N	152.109	0.802	5	50	ACBA	
COC(=O)c1c([N+](=O)[O-])cnn1C	1066514	ANWHCLPGJQUYRX-UHFFFAOYSA-N	185.139	0.115	5	50	ACBA	in-vitro
Nc1ccc(CC(=O)O)cc1[N+](=O)[O-]	34447032	GOYNTGDWVOXIIX-UHFFFAOYSA-N	196.162	0.804	5	50	ACBA	
O=[N+]([O-])c1ccc(CO)c(CCO)c1	2513265	SYBKBPXOVQYFFA-UHFFFAOYSA-N	197.190	0.622	5	50	ACBA	in-vitro
C[C@H](O)[C@H](C)[N+](=O)[O-]	1758999	OJVOGABFNZDOOZ-IMJSIDKUSA-N	119.120	0.032	5	50	ACBA	in-vitro
CCOC(=O)C(C)(C)C[N+](=O)[O-]	2141615	CXDGMDLJYJCXFD-UHFFFAOYSA-N	175.184	0.852	5	50	ACBA	
CC(=O)c1nn(C)cc1[N+](=O)[O-]	2536683	IPZOMPOVKHIXAL-UHFFFAOYSA-N	169.140	0.531	5	50	ACBA	in-vitro
NCCc1ccc(O)c([N+](=O)[O-])c1	2561249	IUCYCHQMRZWPGT-UHFFFAOYSA-N	182.179	0.802	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])c(N)c1	4044869	DPIZKMGPXNXSGL-UHFFFAOYSA-N	153.141	0.759	5	50	ACBA	in-vitro
C[C@@H]1O[C@H](C[N+](C)(C)C)C[C@H]1O	2516022	UQOFGTXDASPNLL-XHNCKOQMSA-N	174.264	0.231	5	50	ACBA	endogenous,in-man
O=[N+]([O-])C1CCNCC1	73658740	OWXZCNQZUBIVHN-UHFFFAOYSA-N	130.147	0.015	5	50	ACBA	
CC[N+](C)(C)C	1720764	YOMFVLRTMZWACQ-UHFFFAOYSA-N	88.174	0.713	5	50	ACBA	world
CCC[C@H](COC(C)=O)[N+](=O)[O-]	3074829	FCADDMKZOFYITK-SSDOTTSWSA-N	175.184	0.995	5	50	ACBA	
COc1ccnc(N)c1[N+](=O)[O-]	14982089	PHZNRPWDIPHQNO-UHFFFAOYSA-N	169.140	0.581	5	50	ACBA	in-vitro
CNc1nccc(C(=O)O)c1[N+](=O)[O-]	225797195	BATWVLTWQZZJLF-UHFFFAOYSA-N	197.150	0.730	5	50	ACBA	in-vitro
Cn1cc([N+](=O)[O-])cn1	2038197	CZVJIVYLYOVBRP-UHFFFAOYSA-N	127.103	0.328	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc(NCCO)nc1	19232451	STGZMDMCSWZWHU-UHFFFAOYSA-N	183.167	0.394	5	50	ACBA	in-vitro
CC(=O)O[C@@H](C)C[N+](C)(C)C	3831050	NZWOPGCLSHLLPA-ZETCQYMHSA-N	160.237	0.644	5	50	ACBA	fda
O=[N+]([O-])c1ccncc1O	2599057	BVXHEFWTMMZHDG-UHFFFAOYSA-N	140.098	0.695	5	50	ACBA	in-vitro
Nc1cc([N+](=O)[O-])ccc1CO	1853760	NFOINKSCQYECSI-UHFFFAOYSA-N	168.152	0.669	5	50	ACBA	in-vitro
CNC[C@H](O)c1ccc([N+](=O)[O-])cc1	162395	CCRPAZWXXRIRRS-VIFPVBQESA-N	196.206	0.848	5	50	ACBA	
O=[N+]([O-])c1cncc(O)c1	14982959	GFNBWBJRTVNLMH-UHFFFAOYSA-N	140.098	0.695	5	50	ACBA	in-vitro
COC(=O)c1nc([N+](=O)[O-])cs1	238352356	ASFYUEVOHQXHCW-UHFFFAOYSA-N	188.164	0.838	5	50	ACBA	
NCC(=O)Nc1ccc([N+](=O)[O-])cc1	4181880	VZZMNSJSZXVCCW-UHFFFAOYSA-N	195.178	0.492	5	50	ACBA	in-vitro
Nc1nc(O)c([N+](=O)[O-])c(Cl)n1	15021789	UTTPUMOOQSNOHH-UHFFFAOYSA-N	190.546	0.326	5	50	ACBA	in-vitro
O=C1NCc2c1cccc2[N+](=O)[O-]	16698760	RTDDSWLIZLMORY-UHFFFAOYSA-N	178.147	0.838	5	50	ACBA	in-vitro
[BH3-][N+](CC)(CC)CC	169748259	ONRDAGWFOUZNLV-UHFFFAOYSA-N	115.029	0.143	5	50	ACBA	
O=[N+]([O-])c1ccc(CO)c(CO)c1	85223553	BVWREOCJVMLGTJ-UHFFFAOYSA-N	183.163	0.579	5	50	ACBA	
O=C1O[C@@H]([N+](=O)[O-])C(Cl)=C1Cl	19864827	KHCWLRSDIRCSDD-GSVOUGTGSA-N	197.961	0.835	5	50	ACBA	
C[N+](C)(C)CCCO	1566370	AACHVWXCVWWMSI-UHFFFAOYSA-N	118.200	0.075	5	50	ACBA	
O=C(c1ccc([N+](=O)[O-])cc1)C(O)O	1719157	DUGSDYIJZMWGNA-UHFFFAOYSA-N	197.146	0.088	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccccc1NCCO	3887467	LFOUYKNCQNVIGI-UHFFFAOYSA-N	182.179	0.999	5	50	ACBA	
O=[N+]([O-])c1cc(CO)ccn1	145362320	OZNLMOGNILYAQR-UHFFFAOYSA-N	154.125	0.482	5	50	ACBA	
CCn1cc([N+](=O)[O-])c(C(=O)O)n1	4255809	SPZXMOFHJNSAAS-UHFFFAOYSA-N	185.139	0.509	5	50	ACBA	in-vitro
CCOc1n[nH]cc1[N+](=O)[O-]	4243744	PFGDUBXKJBQGRB-UHFFFAOYSA-N	157.129	0.717	5	50	ACBA	in-vitro
CCCn1ncc([N+](=O)[O-])c1C(=O)O	2537970	WZOTUASQOFIZRZ-UHFFFAOYSA-N	199.166	0.900	5	50	ACBA	
O=[N+]([O-])c1ccc([C@H]2N[C@@H]2CO)cc1	169377451	WPEJVIRQAAQCFW-RKDXNWHRSA-N	194.190	0.600	5	50	ACBA	
NCCNCc1ccccc1[N+](=O)[O-]	37712617	AEVYOOWHCJTENF-UHFFFAOYSA-N	195.222	0.643	5	50	ACBA	in-vitro
O=C(O)c1[nH]ncc1[N+](=O)[O-]	4552321	ZMAXXOYJWZZQBK-UHFFFAOYSA-N	157.085	0.016	5	50	ACBA	
NC(=O)/C=C\c1ccc([N+](=O)[O-])o1	111327303	IZFMIIGMIPRYKL-IWQZZHSRSA-N	182.135	0.686	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccncc1	332351	FEXIEMAAKBNTFK-UHFFFAOYSA-N	124.099	0.990	5	50	ACBA	in-vitro
CCn1nc(C(=O)O)c([N+](=O)[O-])c1C	38523797	FVAMWYRRWJUYMO-UHFFFAOYSA-N	199.166	0.818	5	50	ACBA	
C[C@H]1CN(/C=C/[N+](=O)[O-])C[C@@H](C)N1	1535645788	YEKREVVCPKXNBC-ZKMUWOAOSA-N	185.227	0.417	5	50	ACBA	
CCC(=O)OCC[N+](C)(C)C	1736021	VVQZRZCFJJZEKN-UHFFFAOYSA-N	160.237	0.646	5	50	ACBA	endogenous,in-man
O=[N+]([O-])c1ccc([C@@H]2N[C@H]2CO)cc1	169377452	WPEJVIRQAAQCFW-IUCAKERBSA-N	194.190	0.600	5	50	ACBA	
Nc1ccc([N+](=O)[O-])c(N)n1	22198856	TZEVSKPZTQIPLS-UHFFFAOYSA-N	154.129	0.154	5	50	ACBA	
C[C@H](O)[C@@H](C)[N+](=O)[O-]	1759001	OJVOGABFNZDOOZ-DMTCNVIQSA-N	119.120	0.032	5	50	ACBA	in-vitro
CNC(=O)c1ccc([N+](=O)[O-])cc1	1599498	UZWAQQSVGQEZRY-UHFFFAOYSA-N	180.163	0.954	5	50	ACBA	in-vitro
COC(=O)c1cc(N)ccc1[N+](=O)[O-]	91366346	HBQRFDGMJZUGQV-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	
C[N+](C)(C)[C@H]1CCC=CNC(=O)C1	71786991	JUUNEDJRNWDKKQ-VIFPVBQESA-O	183.275	0.875	5	50	ACBA	
O=[N+]([O-])c1ccc(CO)nc1	21985568	SUYQFFRZOVQBAS-UHFFFAOYSA-N	154.125	0.482	5	50	ACBA	
NC(=O)c1ccccc1[N+](=O)[O-]	337539	KLGQWSOYKYFBTR-UHFFFAOYSA-N	166.136	0.694	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc[n+]([O-])cc1F	2559899	QHWIGULJOZAPAQ-UHFFFAOYSA-N	158.088	0.367	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc[n+]([O-])cc1Cl	32219979	MBHLTDWOVIYXEW-UHFFFAOYSA-N	174.543	0.882	5	50	ACBA	in-vitro
C[N+]1(C)[C@H]2CCCC[C@H]1CC(=O)NC2	101043010	WWSUKVPOVNICAD-UWVGGRQHSA-O	197.302	0.894	5	50	ACBA	
C[N+]12CCC[N+](C)(CC1)CC2	398430	IVMGQUJOPLETFT-UHFFFAOYSA-N	156.273	0.297	5	50	ACBA	
O=C(O)c1ccncc1[N+](=O)[O-]	2599068	YKPIUHZVTZWEEW-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
N#CNc1ccc([N+](=O)[O-])cn1	64037955	CTFMVWRJNIZZEZ-UHFFFAOYSA-N	164.124	0.883	5	50	ACBA	
NC(=O)COc1ccc([N+](=O)[O-])cc1	31295	IYJAUHBAFQALLE-UHFFFAOYSA-N	196.162	0.459	5	50	ACBA	in-vitro
Cc1cnc(NN)c([N+](=O)[O-])c1	12471852	XDMWWISPNLFVGD-UHFFFAOYSA-N	168.156	0.584	5	50	ACBA	in-vitro
O=C(O)c1ccnc([N+](=O)[O-])c1	2599001	SXERXZLYZFAKBX-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
CCc1c([N+](=O)[O-])ccc(=O)n1C	97463341	VEPFRCZWPSAYTQ-UHFFFAOYSA-N	182.179	0.856	5	50	ACBA	
C[C@@H]1O[C@@H](C[N+](C)(C)C)C[C@@H]1O	8584727	UQOFGTXDASPNLL-YIZRAAEISA-N	174.264	0.231	5	50	ACBA	endogenous,in-man
NC(=O)c1cccc([N+](=O)[O-])c1	153288	KWAYEPXDGHYGRW-UHFFFAOYSA-N	166.136	0.694	5	50	ACBA	in-vitro
Cc1nn(C)c(C(=O)O)c1[N+](=O)[O-]	3882611	MCTUAJONAXPWLC-UHFFFAOYSA-N	185.139	0.335	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc(O)cc1CO	34772780	ODWVFIWBWJXDMT-UHFFFAOYSA-N	169.136	0.793	5	50	ACBA	in-vitro
O=c1[nH]cnc2sc([N+](=O)[O-])cc12	35287399	JKIINYBBWNXMCW-UHFFFAOYSA-N	197.175	0.893	5	50	ACBA	in-vitro
NNc1ccc([N+](=O)[O-])cc1	3860923	KMVPXBDOWDXXEN-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
Nc1ccc([N+](=O)[O-])cc1C(=O)O	3878253	RUCHWTKMOWXHLU-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	in-vitro
O=[N+]([O-])C1CCC1	34129288	IPVBXZMWDWJWHR-UHFFFAOYSA-N	101.105	0.816	5	50	ACBA	in-vitro
Nc1nccn2ncc([N+](=O)[O-])c12	1875335188	VYKVPWIYNYJFEL-UHFFFAOYSA-N	179.139	0.220	5	50	ACBA	
O=C(O)CCn1cc([N+](=O)[O-])cn1	4294606	DRVNKZUIVXMXHJ-UHFFFAOYSA-N	185.139	0.266	5	50	ACBA	in-vitro
Cc1nc(O)c([N+](=O)[O-])c(O)n1	5156367	MRYKPLCGITXZRW-UHFFFAOYSA-N	171.112	0.104	5	50	ACBA	
O=[N+]([O-])CCC1OCCO1	15021206	ZYXOSRQIZOOVTN-UHFFFAOYSA-N	147.130	0.026	5	50	ACBA	in-vitro
CCOC(=O)c1ncc([N+](=O)[O-])[nH]1	66348638	YSVPLWXCZZORIO-UHFFFAOYSA-N	185.139	0.495	5	50	ACBA	in-vitro
C[N+]1(C)[C@H]2CC[C@H]1CC(=O)NC2	101093772	BSQQXJYFJLWDQE-YUMQZZPRSA-O	169.248	0.114	5	50	ACBA	
O=[N+]([O-])c1nc[nH]c1[N+](=O)[O-]	4468969	CCRNCEKMSVYFLU-UHFFFAOYSA-N	158.073	0.226	5	50	ACBA	in-vitro
Nc1ncc([N+](=O)[O-])cc1O	33845737	UXLVADZLQKGFIG-UHFFFAOYSA-N	155.113	0.278	5	50	ACBA	in-vitro
CN1C[C@H]2CC[C@@H](CC1=O)[N+]2(C)C	71786964	LBWVNOSPLXVSER-DTWKUNHWSA-N	183.275	0.456	5	50	ACBA	
O=[N+]([O-])c1cc[n+]([O-])c2[nH]cnc12	100061496	QWIUCDUVNPNMPO-UHFFFAOYSA-N	180.123	0.105	5	50	ACBA	
C[N@+]12CCCC[C@H]1CC(=O)NCC2	247639514	GCEWMGFMEGCHQV-JOYOIKCWSA-O	183.275	0.505	5	50	ACBA	
CC(=O)O[C@H](C)C[N+](C)(C)C	3831051	NZWOPGCLSHLLPA-SSDOTTSWSA-N	160.237	0.644	5	50	ACBA	fda
O=Cc1ncc([N+](=O)[O-])cc1F	238609370	BWQDJMUABOFWKT-UHFFFAOYSA-N	170.099	0.941	5	50	ACBA	
O=[N+]([O-])c1ccc(OCCO)nc1	2510222	KESQFSZFUCZCEI-UHFFFAOYSA-N	184.151	0.361	5	50	ACBA	in-vitro
Cc1cc2ncc([N+](=O)[O-])cn2n1	370719	ISYFTACZOMWTCK-UHFFFAOYSA-N	178.151	0.946	5	50	ACBA	in-vitro
C[N@@+]12CCCC[C@@H]1CC(=O)NCC2	247639516	GCEWMGFMEGCHQV-SKDRFNHKSA-O	183.275	0.505	5	50	ACBA	
O=C1NCc2cccc([N+](=O)[O-])c21	12505542	LCDQMYJTXPCJLX-UHFFFAOYSA-N	178.147	0.838	5	50	ACBA	in-vitro
CCn1cc([N+](=O)[O-])cn1	12395839	LQPXKEBIYOXPKM-UHFFFAOYSA-N	141.130	0.811	5	50	ACBA	in-vitro
C=C[N+](C)(C)C	1686874	PPJWCUOWPVSSSW-UHFFFAOYSA-N	86.158	0.836	5	50	ACBA	endogenous,in-man
O=C(O)Cc1cc([N+](=O)[O-])ccc1O	2529221	ORXCFNAIXBBSJC-UHFFFAOYSA-N	197.146	0.928	5	50	ACBA	in-vitro
O=C1O[C@H]([N+](=O)[O-])C(Cl)=C1Cl	100730316	KHCWLRSDIRCSDD-VKHMYHEASA-N	197.961	0.835	5	50	ACBA	
CN(C)c1ncc([N+](=O)[O-])c(O)n1	253512451	UUMJRYMVEZOAOT-UHFFFAOYSA-N	184.155	0.156	5	50	ACBA	
O=Cc1nc[nH]c1[N+](=O)[O-]	32147215	HVGCOWLYQUZAIM-UHFFFAOYSA-N	141.086	0.130	5	50	ACBA	in-vitro
Cc1nc(Cl)nc(N)c1[N+](=O)[O-]	4243438	ZBYYVBFAHVINCE-UHFFFAOYSA-N	188.574	0.929	5	50	ACBA	in-vitro
COC(=O)c1cc([N+](=O)[O-])nn1C	72209473	YOWXTKMLSGSLMK-UHFFFAOYSA-N	185.139	0.115	5	50	ACBA	
NC(=O)Cc1ccccc1[N+](=O)[O-]	337533	MLJSAZNRAKTZKO-UHFFFAOYSA-N	180.163	0.623	5	50	ACBA	in-vitro
COc1cc([N+](=O)[O-])c(OC)nn1	261493812	JXVASPYYIABHMY-UHFFFAOYSA-N	185.139	0.402	5	50	ACBA	
C[C@H](O)C[N+](C)(C)C	901304	JPKKMFOXWKNEEN-LURJTMIESA-N	118.200	0.073	5	50	ACBA	in-vitro
Nc1ccncc1[N+](=O)[O-]	19798391	IUPPEELMBOPLDJ-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
O=[N+]([O-])c1nccn1CC1OCCO1	918368340	HQHWFPHZKPGWEK-UHFFFAOYSA-N	199.166	0.164	5	50	ACBA	
C[N@+]12CCC[C@H]1CC(=O)NCC2	247652237	NSJNXTNRNAJDOT-GZMMTYOYSA-O	169.248	0.115	5	50	ACBA	
NCCNc1ccccc1[N+](=O)[O-]	3888832	OQOLYTBWYAUNJX-UHFFFAOYSA-N	181.195	0.965	5	50	ACBA	in-vitro
COC(=O)c1ccnc(N)c1[N+](=O)[O-]	170619047	UFDPDNJTFWOYLU-UHFFFAOYSA-N	197.150	0.359	5	50	ACBA	in-vitro
Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-]	3832436	GHLBJBRVTJECDP-UHFFFAOYSA-N	172.100	0.237	5	50	ACBA	
Cc1c([N+](=O)[O-])ncn1C	13209612	ULEIQLOXYAULFE-UHFFFAOYSA-N	141.130	0.637	5	50	ACBA	in-vitro
CN(C)CCn1cc([N+](=O)[O-])cn1	74938166	TWXOILOJQLTRJY-UHFFFAOYSA-N	184.199	0.353	5	50	ACBA	
COC(=O)Cc1ncccc1[N+](=O)[O-]	217649632	ACNDZLQIDQZLAZ-UHFFFAOYSA-N	196.162	0.705	5	50	ACBA	
NCCOc1cccc([N+](=O)[O-])c1	38079712	HJGILQJJFYDIRR-UHFFFAOYSA-N	182.179	0.932	5	50	ACBA	
Cc1ccnc(N)c1[N+](=O)[O-]	19015177	IKMZGACFMXZAAT-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
N[C@H](CO)Cc1ccc([N+](=O)[O-])cc1	38761734	PCLGMKWXPXAGEO-QMMMGPOBSA-N	196.206	0.457	5	50	ACBA	
CC[C@H](O)[C@@H](CC)[N+](=O)[O-]	1666923	XIXNQTGGBNDDMJ-RITPCOANSA-N	147.174	0.813	5	50	ACBA	
Cc1ncc([N+](=O)[O-])n1CC(=O)O	4243878	RVEGZXNRNWUYKI-UHFFFAOYSA-N	185.139	0.184	5	50	ACBA	in-vitro
Nc1cc2c(cc1[N+](=O)[O-])OCCO2	3864714	FPLCYUDKBMTETP-UHFFFAOYSA-N	196.162	0.948	5	50	ACBA	in-vitro
NNc1ccc([N+](=O)[O-])c2nonc12	4521565	DMZATVKONWVLBE-UHFFFAOYSA-N	195.138	0.417	5	50	ACBA	in-vitro
COCCNc1ncc([N+](=O)[O-])cn1	40454310	SQKNSRNTKFBZAE-UHFFFAOYSA-N	198.182	0.443	5	50	ACBA	
C[C@@H](C[N+](C)(C)C)OC(N)=O	83	NZUPCNDJBJXXRF-LURJTMIESA-O	161.225	0.176	5	50	ACBA	fda
Cn1c(C(=O)O)ccc1[N+](=O)[O-]	7779462	FLRXGGRRZQMJJI-UHFFFAOYSA-N	170.124	0.632	5	50	ACBA	in-vitro
O=C(O)c1ccc([N+](=O)[O-])nc1	1692681	JHKLCZNDTUKHHI-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
NNc1ccccc1[N+](=O)[O-]	3860653	FRBUNLLUASHNDJ-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
NC(=O)c1ncccc1[N+](=O)[O-]	32150066	WBWLACQQQPKOSM-UHFFFAOYSA-N	167.124	0.089	5	50	ACBA	
CC(=O)N(C)c1ccc([N+](=O)[O-])cn1	71774386	AGHSHBCYCPATDY-UHFFFAOYSA-N	195.178	0.973	5	50	ACBA	
O=[N+]([O-])c1ccc2[nH]c(CO)nc2c1	236854	ZJLPIDVKNQXTKN-UHFFFAOYSA-N	193.162	0.963	5	50	ACBA	in-vitro
COC(=O)c1nc([N+](=O)[O-])cn1C	40448602	FZSWXFKGZZOIMM-UHFFFAOYSA-N	185.139	0.115	5	50	ACBA	
O=[N+]([O-])C[C@H](O)C1CC1	95080084	IWZPNMNTVFKFOH-YFKPBYRVSA-N	131.131	0.034	5	50	ACBA	in-vitro
O=C(O)Cc1ccc([N+](=O)[O-])cn1	42784384	BAENMNORNKLBTB-UHFFFAOYSA-N	182.135	0.617	5	50	ACBA	
COC(=O)c1ccc([N+](=O)[O-])cn1	15079902	WBJDJRHSHXTRAT-UHFFFAOYSA-N	182.135	0.776	5	50	ACBA	
Cc1cnc(N)c([N+](=O)[O-])c1	20357575	ZJKGRSJMFDIRPX-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
NNc1cccc([N+](=O)[O-])c1	88602	JFILLLZWNHOVHV-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	
O=C(O)c1cc(O)cc([N+](=O)[O-])c1	336746	ZVLLYIMPDTXFNC-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	in-vitro
O=[N+]([O-])[C@H](CO)[C@@H](O)c1ccccc1	38653786	KAPBNJZOLYDLQK-BDAKNGLRSA-N	197.190	0.358	5	50	ACBA	
NC(=O)c1ccc(F)cc1[N+](=O)[O-]	6925794	VSWSFFDDRSVJSR-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	in-vitro
O=C(O)[C@@H]1[C@H]([N+](=O)[O-])[C@H]1C(F)(F)F	1535642548	NXEJLGSOLHZTHT-ZPAAKOCQSA-N	199.084	0.525	5	50	ACBA	
Cc1nc2ccc([N+](=O)[O-])cn2n1	32220843	HWAKRQWQSUIFGQ-UHFFFAOYSA-N	178.151	0.946	5	50	ACBA	
COc1cc([N+](=O)[O-])c[nH]c1=O	38548616	JDHPYWKDVDFUDW-UHFFFAOYSA-N	170.124	0.292	5	50	ACBA	in-vitro
CC[N+]1(C)CCC(=O)CC1	38241756	UATQXQCSMWRPEZ-UHFFFAOYSA-N	142.222	0.816	5	50	ACBA	
CCn1ncc([N+](=O)[O-])c1C(=O)OC	72233298	BGIFTQTZYMZQPN-UHFFFAOYSA-N	199.166	0.598	5	50	ACBA	in-vitro
NC(=O)Cc1ccncc1[N+](=O)[O-]	675050761	UNDZXLOOIDCNIM-UHFFFAOYSA-N	181.151	0.018	5	50	ACBA	
O=C(O)CNc1ncccc1[N+](=O)[O-]	4108346	WKQYCYIBTQRMTP-UHFFFAOYSA-N	197.150	0.486	5	50	ACBA	
O=C(O)c1ccc(CO)c([N+](=O)[O-])c1	4202316	KUOYLJCVVIDGBZ-UHFFFAOYSA-N	197.146	0.785	5	50	ACBA	biogenic
COCn1cc([N+](=O)[O-])cn1	72334115	UURJXYFOASPHQL-UHFFFAOYSA-N	157.129	0.395	5	50	ACBA	
O=[N+]([O-])c1ccc(-c2nnn[nH]2)cc1	20286565	MIUOBAHGBPSRKY-UHFFFAOYSA-N	191.150	0.775	5	50	ACBA	in-vitro
O=[N+]([O-])c1cccc(C2=NCCN2)c1	121568	YSCJJOXSVFNSPY-UHFFFAOYSA-N	191.190	0.945	5	50	ACBA	in-vivo
Cc1c(C(N)=O)cc(N)cc1[N+](=O)[O-]	5159668	OGXBENHORDOZLD-UHFFFAOYSA-N	195.178	0.584	5	50	ACBA	in-vitro
O=Cc1ccncc1[N+](=O)[O-]	14983388	CPHKHQSASVFAHL-UHFFFAOYSA-N	152.109	0.802	5	50	ACBA	in-vitro
O=c1nc[nH]c2c([N+](=O)[O-])csc12	231501236	PLKWQRHNLGHSIF-UHFFFAOYSA-N	197.175	0.893	5	50	ACBA	
Cc1c[nH]c(=O)c([N+](=O)[O-])c1	9490617	QAINEQVHSHARMD-UHFFFAOYSA-N	154.125	0.592	5	50	ACBA	in-vitro
C[N@+]12CCCC[C@H]1CNC(=O)CC2	247693921	XZANKJFLTAKDDW-JOYOIKCWSA-O	183.275	0.505	5	50	ACBA	
COC(=O)Cc1ccc([N+](=O)[O-])cn1	82046863	HWAYALCUMDVEIK-UHFFFAOYSA-N	196.162	0.705	5	50	ACBA	in-vitro
Cn1cc([N+](=O)[O-])cc1C(=O)O	2577989	GEGNYFQOFWUIFG-UHFFFAOYSA-N	170.124	0.632	5	50	ACBA	
O=[N+]([O-])c1ccc(CO)cc1[N+](=O)[O-]	6091872	GALBVKDHQBDIJR-UHFFFAOYSA-N	198.134	0.995	5	50	ACBA	in-vitro
CCOC(=O)[C@@H]1C[C@@H]1[N+](=O)[O-]	238796318	XYGGYQYMJUQDKO-UHNVWZDZSA-N	159.141	0.215	5	50	ACBA	
O=[N+]([O-])c1cnn2ccc(O)nc12	888088107	DIZHINPGGGRDRY-UHFFFAOYSA-N	180.123	0.343	5	50	ACBA	
O=C(O)[C@H]1[C@H](C(F)(F)F)[C@@H]1[N+](=O)[O-]	1535642547	NXEJLGSOLHZTHT-XZIMBLGRSA-N	199.084	0.525	5	50	ACBA	
O=C(O)c1cnc([N+](=O)[O-])c(O)c1	71254822	OODZZMDHMOPHHY-UHFFFAOYSA-N	184.107	0.394	5	50	ACBA	in-vitro
Cc1c([N+](=O)[O-])ccnc1CO	20358117	YFYLOUJBRSOJSQ-UHFFFAOYSA-N	168.152	0.791	5	50	ACBA	
COc1nc(C(=O)O)ccc1[N+](=O)[O-]	39117337	USBYKQLQDLTNGK-UHFFFAOYSA-N	198.134	0.697	5	50	ACBA	in-vitro
NNc1ccncc1[N+](=O)[O-]	4653460	HWMWVURSDQRNDO-UHFFFAOYSA-N	154.129	0.275	5	50	ACBA	in-vitro
O=[N+]([O-])c1cccc([N+](=O)[O-])n1	59216156	YHIZCHYBKFHHTB-UHFFFAOYSA-N	169.096	0.898	5	50	ACBA	
Cn1cccc1[N+](=O)[O-]	1573937	ZNTAXEMTUMCOTJ-UHFFFAOYSA-N	126.115	0.933	5	50	ACBA	
O=C(O)c1cc([N+](=O)[O-])cnc1O	8698233	JVLVOEQOJYFQKR-UHFFFAOYSA-N	184.107	0.394	5	50	ACBA	in-vitro
O=C1Cc2cc([N+](=O)[O-])cnc2N1	44712797	KBPJYTUKKDDTCS-UHFFFAOYSA-N	179.135	0.484	5	50	ACBA	in-vitro
O=C(O)c1cc(O)ccc1[N+](=O)[O-]	163338	BUHKQTKKZAXSMH-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	in-vitro
O=c1[nH]cccc1[N+](=O)[O-]	8698093	BOAFCICMVMFLIT-UHFFFAOYSA-N	140.098	0.283	5	50	ACBA	in-vitro
Cc1[nH]c(=O)ccc1[N+](=O)[O-]	8698096	AJDDHNXZBGZBJN-UHFFFAOYSA-N	154.125	0.592	5	50	ACBA	in-vitro
CC(C)(C[N+](=O)[O-])C[N+](=O)[O-]	1641083	IHFMWDOLRBNYBN-UHFFFAOYSA-N	162.145	0.566	5	50	ACBA	
Cc1cc([N+](=O)[O-])nn1C	2538864	KTPNKIOQKXHCMA-UHFFFAOYSA-N	141.130	0.637	5	50	ACBA	
O=C(O)c1ccc([N+](=O)[O-])cn1	2599015	QKYRCTVBMNXTBT-UHFFFAOYSA-N	168.108	0.688	5	50	ACBA	in-vitro
O=[N+]([O-])c1c[nH]cn1	12358712	VYDWQPKRHOGLPA-UHFFFAOYSA-N	113.076	0.318	5	50	ACBA	in-vitro
COC(=O)c1ncccc1[N+](=O)[O-]	32224876	GTYLRDGENQOVTL-UHFFFAOYSA-N	182.135	0.776	5	50	ACBA	
O=C(O)c1n[nH]c([N+](=O)[O-])c1Cl	5941974	OJDWLECIBCYADG-UHFFFAOYSA-N	191.530	0.670	5	50	ACBA	in-vitro
O=[N+]([O-])c1cc(O)ccc1NCCO	15022123	UXKLYBMQAHYULT-UHFFFAOYSA-N	198.178	0.705	5	50	ACBA	in-vitro
O=[N+]([O-])c1cnn2c1NCCC2	95743029	NRYKSXYBFPTTGH-UHFFFAOYSA-N	168.156	0.607	5	50	ACBA	
NCCNc1ccc([N+](=O)[O-])cc1	3877833	CGTJUSQJKFEMEI-UHFFFAOYSA-N	181.195	0.965	5	50	ACBA	in-vitro
Cc1onc(C(=O)O)c1[N+](=O)[O-]	59269054	GIRMISJOXYRPLD-UHFFFAOYSA-N	172.096	0.589	5	50	ACBA	in-vitro
CN1CCc2cc([N+](=O)[O-])cnc2C1	142439397	AAHNYSPPMXLRLD-UHFFFAOYSA-N	193.206	0.978	5	50	ACBA	
Cc1n[nH]c(C)c1[N+](=O)[O-]	49624	OFQCJVVJRNPSET-UHFFFAOYSA-N	141.130	0.935	5	50	ACBA	in-vitro
CC(C)(CCCO)[N+](=O)[O-]	1571164	DBYMNHYVMTWSLQ-UHFFFAOYSA-N	147.174	0.814	5	50	ACBA	
COc1ccncc1[N+](=O)[O-]	1611435	BZPVREXVOZITPF-UHFFFAOYSA-N	154.125	0.998	5	50	ACBA	in-vitro
Cc1nn(C)c(C)c1[N+](=O)[O-]	141169	YSZYFGMARJFMJK-UHFFFAOYSA-N	155.157	0.945	5	50	ACBA	in-vitro
O=C(O)CCCCC[N+](=O)[O-]	2545361	RDMHCTBEKVBKLF-UHFFFAOYSA-N	161.157	0.908	5	50	ACBA	
COC(=O)c1cccc([N+](=O)[O-])c1N	4240518	HDCLJQZLTMJECA-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
Cc1cc[nH]c(=O)c1[N+](=O)[O-]	8698081	HZCWTTHQRMHIIE-UHFFFAOYSA-N	154.125	0.592	5	50	ACBA	in-vitro
CCn1nc(N)c([N+](=O)[O-])c1C	34928926	DXIVHKLPFKSHBB-UHFFFAOYSA-N	170.172	0.702	5	50	ACBA	in-vitro
Cn1ncc([N+](=O)[O-])c1Cl	72319629	POXLZEWCWNUVDW-UHFFFAOYSA-N	161.548	0.982	5	50	ACBA	in-vitro
O=C(O)c1ccc([N+](=O)[O-])cc1O	1587672	UKWUOTZGXIZAJC-UHFFFAOYSA-N	183.119	0.999	5	50	ACBA	
CC(C)(CCC(=O)O)[N+](=O)[O-]	1681465	KHKJLJHJTQRHSA-UHFFFAOYSA-N	161.157	0.907	5	50	ACBA	in-vitro
C[N+]1(C)[C@H]2CCC[C@H]1CC(=O)NC2	1722053	WNCXAODNAJGSOD-IUCAKERBSA-O	183.275	0.504	5	50	ACBA	
COC(=O)CCC[N+](=O)[O-]	1715186	UBSPKGKFFQKZJB-UHFFFAOYSA-N	147.130	0.216	5	50	ACBA	in-vitro
C[N+](C)(C)CCCC[C@H](N)C(=O)O	1529747	MXNRLFUSFKVQSK-QMMMGPOBSA-O	189.279	0.275	5	50	ACBA	endogenous,in-man
Cc1ncc([N+](=O)[O-])cn1	18811245	NLGWYOYUTYUEQT-UHFFFAOYSA-N	139.114	0.693	5	50	ACBA	in-vitro
O=[N+]([O-])c1c(O)nc(O)nc1Cl	1689964	GPFMSTOIHBOPQA-UHFFFAOYSA-N	191.530	0.449	5	50	ACBA	in-vitro
O=[N+]([O-])c1cccnc1NCCO	19815723	KSBCSRCDLQUKSY-UHFFFAOYSA-N	183.167	0.394	5	50	ACBA	in-vitro
CN(C)c1cc(N)c([N+](=O)[O-])cn1	167103056	IEAPFVLNAAWLGX-UHFFFAOYSA-N	182.183	0.638	5	50	ACBA	
COC(=O)c1cc([N+](=O)[O-])cn1C	2511035	SEOKAHOXOYKYKS-UHFFFAOYSA-N	184.151	0.720	5	50	ACBA	in-vitro
O=[N+]([O-])c1cncc([N+](=O)[O-])c1O	12428245	PUHTYORYOUQZEB-UHFFFAOYSA-N	185.095	0.604	5	50	ACBA	in-vitro
NC(=O)c1ccc([N+](=O)[O-])c(F)c1	34545889	CKHYKLBLOPFXTB-UHFFFAOYSA-N	184.126	0.833	5	50	ACBA	
NC(=S)c1ccc(N)c([N+](=O)[O-])c1	72284298	RXSJRZVMWAJUGL-UHFFFAOYSA-N	197.219	0.811	5	50	ACBA	
O=[N+]([O-])c1ccn(-c2ncccn2)n1	609450371	HRXAQMSNTVTZHV-UHFFFAOYSA-N	191.150	0.571	5	50	ACBA	
CC[C@H](O)[C@H](CC)[N+](=O)[O-]	1666922	XIXNQTGGBNDDMJ-WDSKDSINSA-N	147.174	0.813	5	50	ACBA	
O=[N+]([O-])CCO[C@@H]1CCCCO1	155438	KQDXRRAVDLIMGM-SSDOTTSWSA-N	175.184	0.806	5	50	ACBA	in-vitro
O=C(O)C(=O)c1ccc([N+](=O)[O-])cc1	2169168	RREPYIWLDJQENS-UHFFFAOYSA-N	195.130	0.862	5	50	ACBA	
C[N+]1(C)[C@H]2COC[C@H]1CC(=O)C2	101042369	YMCAQQMORKERDU-HTQZYQBOSA-N	170.232	0.193	5	50	ACBA	
Nc1cnccc1[N+](=O)[O-]	14982118	SXIUYRNIWXQXEA-UHFFFAOYSA-N	139.114	0.572	5	50	ACBA	in-vitro
O=[N+]([O-])c1n[nH]c2cnccc12	39262016	VVSLBMZXHWNKSN-UHFFFAOYSA-N	164.124	0.866	5	50	ACBA	
O=[N+]([O-])c1nccn1C[C@@H]1CO1	12967604	SYFMSLVOHQZYEB-RXMQYKEDSA-N	169.140	0.190	5	50	ACBA	in-vitro
O=C1NC(=O)c2cc([N+](=O)[O-])ccc21	105138	ANYWGXDASKQYAD-UHFFFAOYSA-N	192.130	0.478	5	50	ACBA	in-vitro
COCCn1cc([N+](=O)[O-])cn1	71978634	SGZBZPUTFUMZBQ-UHFFFAOYSA-N	171.156	0.438	5	50	ACBA	in-vitro
CNC(=O)c1cccc([N+](=O)[O-])c1	305091	KKNRKRLMGLMZDK-UHFFFAOYSA-N	180.163	0.954	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])cnc1NN	6255610	CSHKMLIZQJQZBQ-UHFFFAOYSA-N	168.156	0.584	5	50	ACBA	in-vitro
NC(=O)c1ccc([N+](=O)[O-])cn1	22013285	JGLGOTZFQGEALJ-UHFFFAOYSA-N	167.124	0.089	5	50	ACBA	in-vitro
O=c1[nH]c2cc([N+](=O)[O-])cnc2[nH]1	238600421	NXRRVTZDFUETHB-UHFFFAOYSA-N	180.123	0.159	5	50	ACBA	
O=[N+]([O-])c1cn[nH]c1	1049761	XORHNJQEWQGXCN-UHFFFAOYSA-N	113.076	0.318	5	50	ACBA	
Cc1cc([N+](=O)[O-])cc[n+]1[O-]	1641736	FTTIAVRPJGCXAC-UHFFFAOYSA-N	154.125	0.537	5	50	ACBA	in-vitro
O=C1CC[C@@H](C[N+](=O)[O-])C1	85224419	OXUCMXDWKATUHP-RXMQYKEDSA-N	143.142	0.632	5	50	ACBA	
Nc1cccc(C(=O)O)c1[N+](=O)[O-]	4117181	FGMRHNYMZYMARX-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	in-vitro
NC(=O)c1ccc([N+](=O)[O-])c(O)c1	96868747	RTPMRHZARSJGKC-UHFFFAOYSA-N	182.135	0.399	5	50	ACBA	
CCOC(=O)[C@@H]1C[C@H]1[N+](=O)[O-]	238796459	XYGGYQYMJUQDKO-RFZPGFLSSA-N	159.141	0.215	5	50	ACBA	
Cc1nc([N+](=O)[O-])cn1CC(=O)O	2383213	NLTLZGISRLBDJI-UHFFFAOYSA-N	185.139	0.184	5	50	ACBA	in-vitro
Nc1cc(N)c([N+](=O)[O-])cc1[N+](=O)[O-]	3844905	DFBUFGZWPXQRJV-UHFFFAOYSA-N	198.138	0.667	5	50	ACBA	
NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	3860431	HORQAOAYAYGIBM-UHFFFAOYSA-N	198.138	0.789	5	50	ACBA	in-vitro
NC(=O)c1ccc([N+](=O)[O-])cc1N	8698445	FHIFCKSBNKKCJM-UHFFFAOYSA-N	181.151	0.276	5	50	ACBA	in-vitro
C[N+](C)(C)C[C@@H](O)CN1CCCC1	71785200	HNQDLNHTCKAABT-JTQLQIEISA-N	187.307	0.149	5	50	ACBA	
O=[N+]([O-])c1ccc([N+](=O)[O-])nc1	14982762	HRXDYINZWPPUJS-UHFFFAOYSA-N	169.096	0.898	5	50	ACBA	
O=c1ccnc2ccc([N+](=O)[O-])cn12	144547872	UKEOGGMUOLVIJZ-UHFFFAOYSA-N	191.146	0.603	5	50	ACBA	in-vitro
O=[N+]([O-])c1ccc(CO)c(O)c1	16697997	XFOREGNWACQXLW-UHFFFAOYSA-N	169.136	0.793	5	50	ACBA	in-vitro
CCOC(=O)c1nc([N+](=O)[O-])cn1C	2511034	QGTGFMLXIBQONB-UHFFFAOYSA-N	199.166	0.505	5	50	ACBA	in-vitro
Cc1cc([N+](=O)[O-])cn2cnnc12	95496146	MBINANOZUXJXOQ-UHFFFAOYSA-N	178.151	0.946	5	50	ACBA	
O=[N+]([O-])c1c[nH]nc1OCC(F)F	223253307	IVZGNFMNYGCHAS-UHFFFAOYSA-N	193.109	0.962	5	50	ACBA	
COC(=O)c1cccc(N)c1[N+](=O)[O-]	238403389	BVWSKJRBYYNACC-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	
O=[N+]([O-])c1nc(Br)n[nH]1	15446333	XXAMCWVPBITOGA-UHFFFAOYSA-N	192.960	0.475	5	50	ACBA	in-vitro
C[C@@H]([C@@H](C)O)[N+](=O)[O-]	1758997	OJVOGABFNZDOOZ-IUYQGCFVSA-N	119.120	0.032	5	50	ACBA	in-vitro
NC(=O)c1cc([N+](=O)[O-])ccc1O	30714511	SVIKHLOGVRDSGQ-UHFFFAOYSA-N	182.135	0.399	5	50	ACBA	in-vitro
C[N+](C)(C)CCCCN	165714412	ZKAYSPBLMLQVAS-UHFFFAOYSA-N	131.243	0.432	5	50	ACBA	
O=C(O)CC1(C[N+](=O)[O-])CC1	1875389988	CQZQTRNWDSRCPG-UHFFFAOYSA-N	159.141	0.518	5	50	ACBA	
Cn1cnc([N+](=O)[O-])c1	1063081	HSCOLDQJZRZQMV-UHFFFAOYSA-N	127.103	0.328	5	50	ACBA	world
Cc1cc([N+](=O)[O-])cnc1N	19015185	JLPYUDJJBGYXEZ-UHFFFAOYSA-N	153.141	0.880	5	50	ACBA	in-vitro
Cc1ncc([N+](=O)[O-])n1CCO	113442	VAOCPAMSLUNLGC-UHFFFAOYSA-N	171.156	0.092	5	50	ACBA	fda
Cn1cc([N+](=O)[O-])ccc1=O	333415	FZYSOPYUSSFGAO-UHFFFAOYSA-N	154.125	0.294	5	50	ACBA	in-vitro
Nc1cc(C(=O)O)cc([N+](=O)[O-])c1	84947	ZNVHAQRPXAQKRU-UHFFFAOYSA-N	182.135	0.875	5	50	ACBA	
Cc1cc(=O)c([N+](=O)[O-])c(C)[nH]1	32214405	PKAUZTQOCSCVLK-UHFFFAOYSA-N	168.152	0.900	5	50	ACBA	in-vitro
Cn1ncc([N+](=O)[O-])c1C(=O)O	1049745	ANGMMUPJSXUXGY-UHFFFAOYSA-N	171.112	0.027	5	50	ACBA	in-vitro
COc1nccc(N)c1[N+](=O)[O-]	14982091	XADFTCGTAKIZMI-UHFFFAOYSA-N	169.140	0.581	5	50	ACBA	
O=[N+]([O-])C[C@@H]1CCCCO1	72424478	KQZCMSSTZPLPJK-LURJTMIESA-N	145.158	0.832	5	50	ACBA	
O=C(O)CC1(C[N+](=O)[O-])CCC1	96024425	IFEMRZJJEOFMAX-UHFFFAOYSA-N	173.168	0.908	5	50	ACBA	
COC(=O)c1cc(N)cc([N+](=O)[O-])c1	248689	HZVBRLJDOZZHFL-UHFFFAOYSA-N	196.162	0.964	5	50	ACBA	in-vitro
COc1ncc([N+](=O)[O-])cn1	1607264	ZPUHFIFABZPKHA-UHFFFAOYSA-N	155.113	0.393	5	50	ACBA	in-vitro
CONC(=O)c1ccc([N+](=O)[O-])cc1	70267204	HIJYJXGWKHLZPA-UHFFFAOYSA-N	196.162	0.886	5	50	ACBA	
O=c1[nH]c2ccc([N+](=O)[O-])cc2[nH]1	173832	DLJZIPVEVJOKHB-UHFFFAOYSA-N	179.135	0.764	5	50	ACBA	
CC[C@H](COC(C)=O)[N+](=O)[O-]	2173691	RLBLQZQADXRYKU-ZCFIWIBFSA-N	161.157	0.605	5	50	ACBA	
Cc1nn(CCC(=O)O)cc1[N+](=O)[O-]	2549485	VLLXANRZXYDRFO-UHFFFAOYSA-N	199.166	0.574	5	50	ACBA	in-vitro
CC(=O)Nc1ccc([N+](=O)[O-])cn1	4113847	XKAASKOXADTLIG-UHFFFAOYSA-N	181.151	0.948	5	50	ACBA	in-vitro
NC(=O)c1ccc([N+](=O)[O-])c(N)c1	38490552	VIPAFEMXGAOTSV-UHFFFAOYSA-N	181.151	0.276	5	50	ACBA	
O=C(O)c1ccc([N+](=O)[O-])o1	3843106	IODMEDPPCXSFLD-UHFFFAOYSA-N	157.081	0.886	5	50	ACBA	in-vitro
O=[N+]([O-])c1c(O)cc(O)cc1O	157925	QSVQZFVXAUGEMT-UHFFFAOYSA-N	171.108	0.712	5	50	ACBA	in-vitro
CN(C)c1ncc([N+](=O)[O-])cn1	32207496	IFFZVNFNYKKNFB-UHFFFAOYSA-N	168.156	0.451	5	50	ACBA	
O=c1cnc2ccc([N+](=O)[O-])cc2[nH]1	12375212	CPIFPSDSDMLFMK-UHFFFAOYSA-N	191.146	0.831	5	50	ACBA	in-vitro