smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN(Cn1nccc1[N+](=O)[O-])C1CC1	ZINC000097506614	342806128	/nfs/dbraw/zinc/80/61/28/342806128.db2.gz	JFOKSLYRZSHVGI-UHFFFAOYSA-N	1	0	210.237	1.233	50	5		BDBARO
C[N+]1(C[C@H]2Cc3ccccc3O2)CCOCC1	ZINC000000306515	384034865	/nfs/dbraw/zinc/03/48/65/384034865.db2.gz	NHSXTGIOWQDYHM-CYBMUJFWSA-N	1	0	234.319	1.467	50	5		BDBARO
C[N+]1(C[C@@H]2Cc3ccccc3O2)CCOCC1	ZINC000000306516	384035617	/nfs/dbraw/zinc/03/56/17/384035617.db2.gz	NHSXTGIOWQDYHM-ZDUSSCGKSA-N	1	0	234.319	1.467	50	5		BDBARO
C[N+](C)(CCO)Cc1ccc([N+](=O)[O-])cc1	ZINC000000226038	384272854	/nfs/dbraw/zinc/27/28/54/384272854.db2.gz	SMAFWQYSFPBUIB-UHFFFAOYSA-N	1	0	225.268	1.164	50	5		BDBARO
C[N+](C)(C)C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000207088	384521481	/nfs/dbraw/zinc/52/14/81/384521481.db2.gz	DWXTUOMQINKDRD-LLVKDONJSA-N	1	0	225.268	1.334	50	5		BDBARO
Cc1ccc(OC[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1	ZINC000042773436	388113014	/nfs/dbraw/zinc/11/30/14/388113014.db2.gz	VALCPKCJKGMDBB-SNVBAGLBSA-N	1	0	236.271	1.892	50	5		BDBARO
C[C@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1	ZINC000003877873	132315605	/nfs/dbraw/zinc/31/56/05/132315605.db2.gz	WJUYWKJVECSDQD-UWVGGRQHSA-N	1	0	235.287	1.781	50	5		BDBARO
COc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1	ZINC000033711885	132336259	/nfs/dbraw/zinc/33/62/59/132336259.db2.gz	DGVRAWOHHPXSAQ-UHFFFAOYSA-N	1	0	237.259	1.013	50	5		BDBARO
NC(=[NH2+])SCCOc1cccc([N+](=O)[O-])c1	ZINC000048640837	411208027	/nfs/dbraw/zinc/20/80/27/411208027.db2.gz	BUEAJECXOWDYSA-UHFFFAOYSA-N	1	0	241.272	1.600	50	5		BDBARO
COc1ccc(C[N+]23CCN(CC2)CC3)cc1	ZINC000000387542	175117971	/nfs/dbraw/zinc/11/79/71/175117971.db2.gz	HUYWQBGCVZLVSM-UHFFFAOYSA-N	1	0	233.335	1.341	50	5		BDBARO
COc1ccc([N+](=O)[O-])cc1O[C@H]1CC[NH2+]C1	ZINC000014632286	175200791	/nfs/dbraw/zinc/20/07/91/175200791.db2.gz	DGLKVXPUUSOJFV-VIFPVBQESA-N	1	0	238.243	1.344	50	5		BDBARO
O=[N+]([O-])c1ccc(-[n+]2ccccc2)c([N+](=O)[O-])c1	ZINC000004015802	527341803	/nfs/dbraw/zinc/34/18/03/527341803.db2.gz	MCNUBLFKORCVGA-UHFFFAOYSA-N	1	0	246.202	1.780	50	5		BDBARO
CC1(C)N(O)c2ccc([N+](=O)[O-])cc2[N+]1=O	ZINC000334156994	534961531	/nfs/dbraw/zinc/96/15/31/534961531.db2.gz	YROAHXNAMAFYNJ-UHFFFAOYSA-N	1	0	224.196	1.951	50	5		BDBARO
C[N+]1(C[C@@H]2COC3(CCCC3)O2)CCCC1	ZINC000000185910	398332276	/nfs/dbraw/zinc/33/22/76/398332276.db2.gz	RMINGDOHLCTLQW-GFCCVEGCSA-N	1	0	226.340	1.913	50	5		BDBARO
O=[N+]([O-])c1ccccc1OCC1CC[NH2+]CC1	ZINC000042782904	362024791	/nfs/dbraw/zinc/02/47/91/362024791.db2.gz	SVJZXTDZALYYRB-UHFFFAOYSA-N	1	0	236.271	1.973	50	5		BDBARO
O=[N+]([O-])c1ccccc1C[NH+]1CCC(O)CC1	ZINC000000240144	344656903	/nfs/dbraw/zinc/65/69/03/344656903.db2.gz	WTSNTDKLJQABLL-UHFFFAOYSA-N	1	0	236.271	1.552	50	5		BDBARO
CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])o2)CC1	ZINC000000241176	344656957	/nfs/dbraw/zinc/65/69/57/344656957.db2.gz	KDFIFYPLKBQDDT-UHFFFAOYSA-N	1	0	239.275	1.325	50	5		BDBARO
C=COC(=O)CC[N+](CC)(CC)CC	ZINC000003106404	346556538	/nfs/dbraw/zinc/55/65/38/346556538.db2.gz	GSBPMNJLNSJWSG-UHFFFAOYSA-N	1	0	200.302	1.940	50	5		BDBARO
CC12C[C@@]3(C)C[C@@](C)(C1)C[N+](C)(C3)[C@@H]2O	ZINC000013302689	187932508	/nfs/dbraw/zinc/93/25/08/187932508.db2.gz	KQJKMIVYPMDOFN-BFKVFCTQSA-N	1	0	210.341	1.981	50	5		BDBARO
O=[N+]([O-])c1ccc(COC2CC[NH2+]CC2)cc1	ZINC000037390709	182930534	/nfs/dbraw/zinc/93/05/34/182930534.db2.gz	STYDXIWJEWJPAI-UHFFFAOYSA-N	1	0	236.271	1.863	50	5		BDBARO
O[C@@H]1C[N+]2(Cc3ccccc3)CCC1CC2	ZINC000000520255	183211400	/nfs/dbraw/zinc/21/14/00/183211400.db2.gz	VHDQBALIKCWKKJ-SHARSMKWSA-N	1	0	218.320	1.788	50	5		BDBARO
O=[N+]([O-])c1ccc([C@H](O)C[n+]2ccccc2)cc1	ZINC000000386972	384159193	/nfs/dbraw/zinc/15/91/93/384159193.db2.gz	QCVZBNIGROPKTI-CYBMUJFWSA-N	1	0	245.258	1.616	50	5		BDBARO
C[N+]1(C[C@@H]2CCCCC2=O)CCOCC1	ZINC000000544790	385487632	/nfs/dbraw/zinc/48/76/32/385487632.db2.gz	JTNNLTBPOWHFHZ-NSHDSACASA-N	1	0	212.313	1.223	50	5		BDBARO
C[NH+](C)CCCNc1ccc([N+](=O)[O-])cn1	ZINC000020023567	388753215	/nfs/dbraw/zinc/75/32/15/388753215.db2.gz	HKHGKYUDPOLSFT-UHFFFAOYSA-N	1	0	224.264	1.353	50	5		BDBARO
Cc1cc(N2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-]	ZINC000004183910	132316086	/nfs/dbraw/zinc/31/60/86/132316086.db2.gz	AZPCWIIIJMTUHA-UHFFFAOYSA-N	1	0	239.250	1.452	50	5		BDBARO
O=[N+]([O-])c1cccc(F)c1N1CCC[NH2+]CC1	ZINC000203742495	397986068	/nfs/dbraw/zinc/98/60/68/397986068.db2.gz	OAAZDZZLZTVHJS-UHFFFAOYSA-N	1	0	239.250	1.534	50	5		BDBARO
CC1(C)CO[C@@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000019881755	167974143	/nfs/dbraw/zinc/97/41/43/167974143.db2.gz	ZPNMOPHVOROCRG-JTQLQIEISA-N	1	0	222.244	1.992	50	5		BDBARO
C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000000239040	173016861	/nfs/dbraw/zinc/01/68/61/173016861.db2.gz	WRIGVYZSNGDFNJ-UHFFFAOYSA-N	1	0	249.314	1.732	50	5		BDBARO
O=[N+]([O-])c1ccccc1OC[C@H]1CCC[NH2+]C1	ZINC000042782903	362025371	/nfs/dbraw/zinc/02/53/71/362025371.db2.gz	BGCMJHWSOXRZHS-JTQLQIEISA-N	1	0	236.271	1.973	50	5		BDBARO
C[n+]1ccc(C(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000096191850	187288772	/nfs/dbraw/zinc/28/87/72/187288772.db2.gz	PEVOWDAVTGXTAN-UHFFFAOYSA-N	1	0	243.242	1.650	50	5		BDBARO
Cc1nn(C)c(NCCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000004323852	180357909	/nfs/dbraw/zinc/35/79/09/180357909.db2.gz	IVPXTFLABZAQBY-UHFFFAOYSA-N	1	0	241.295	1.000	50	5		BDBARO
[NH3+]CCSCc1ccc([N+](=O)[O-])cc1	ZINC000019474096	181401836	/nfs/dbraw/zinc/40/18/36/181401836.db2.gz	AMUWIFGHSOSSSK-UHFFFAOYSA-N	1	0	212.274	1.787	50	5		BDBARO
O=C(NCC[NH2+]C1CC1)c1ccccc1[N+](=O)[O-]	ZINC000054265972	182188734	/nfs/dbraw/zinc/18/87/34/182188734.db2.gz	DCAIIDANOTUPON-UHFFFAOYSA-N	1	0	249.270	1.077	50	5		BDBARO
O=[N+]([O-])c1cccc(OC[C@@H]2CC[NH2+]C2)c1	ZINC000038580800	182947207	/nfs/dbraw/zinc/94/72/07/182947207.db2.gz	JHGXVKJNSRVGHX-SECBINFHSA-N	1	0	222.244	1.583	50	5		BDBARO
C[NH+](C)CCCNc1ccncc1[N+](=O)[O-]	ZINC000020370355	388764169	/nfs/dbraw/zinc/76/41/69/388764169.db2.gz	QKTBHIQPKWXIAW-UHFFFAOYSA-N	1	0	224.264	1.353	50	5		BDBARO
C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@@H](C)[NH2+]1	ZINC000003877875	132315762	/nfs/dbraw/zinc/31/57/62/132315762.db2.gz	WJUYWKJVECSDQD-NXEZZACHSA-N	1	0	235.287	1.781	50	5		BDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c(F)c1	ZINC000003884268	132315912	/nfs/dbraw/zinc/31/59/12/132315912.db2.gz	ZILOTWJFFLIFMZ-UHFFFAOYSA-N	1	0	225.223	1.144	50	5		BDBARO
COc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000004455696	132316640	/nfs/dbraw/zinc/31/66/40/132316640.db2.gz	HPFKHBWFRKOXLW-UHFFFAOYSA-N	1	0	237.259	1.013	50	5		BDBARO
C[NH2+]Cc1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000061554961	173387985	/nfs/dbraw/zinc/38/79/85/173387985.db2.gz	ZZNMPUODEPHEOF-UHFFFAOYSA-N	1	0	210.189	1.043	50	5		BDBARO
CCOC(=O)[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000252441020	521130167	/nfs/dbraw/zinc/13/01/67/521130167.db2.gz	AYAOGAWAISPJGQ-YRGRVCCFSA-N	1	0	226.340	1.959	50	5		BDBARO
COC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000054991788	398285432	/nfs/dbraw/zinc/28/54/32/398285432.db2.gz	PVMCZLMYYOZXCK-VIFPVBQESA-N	1	0	224.260	1.719	50	5		BDBARO
O=[N+]([O-])c1ccc(CO[C@H]2CC[NH2+]C2)cc1	ZINC000014632073	344527126	/nfs/dbraw/zinc/52/71/26/344527126.db2.gz	MZXUTWOZVOZHLZ-NSHDSACASA-N	1	0	222.244	1.473	50	5		BDBARO
O=[N+]([O-])c1ccc2ncn(C[NH+]3CCCC3)c2c1	ZINC000005394927	346206879	/nfs/dbraw/zinc/20/68/79/346206879.db2.gz	DBXYSMRCVSVYRP-UHFFFAOYSA-N	1	0	246.270	1.998	50	5		BDBARO
O=[N+]([O-])c1cnccc1NC[C@@H]1CC[NH2+]C1	ZINC000087655273	355707529	/nfs/dbraw/zinc/70/75/29/355707529.db2.gz	XFASPQZNQBLHPS-MRVPVSSYSA-N	1	0	222.248	1.011	50	5		BDBARO
O=[N+]([O-])c1cc(Cl)ccc1OC1C[NH2+]C1	ZINC000042769699	374288129	/nfs/dbraw/zinc/28/81/29/374288129.db2.gz	VCKGZIKKTZQBHV-UHFFFAOYSA-N	1	0	228.635	1.599	50	5		BDBARO
O=[N+]([O-])c1ccc(OC[C@H]2CCC[NH2+]C2)nc1	ZINC000040434896	182938829	/nfs/dbraw/zinc/93/88/29/182938829.db2.gz	FCSQFWOMDYYMPS-VIFPVBQESA-N	1	0	237.259	1.368	50	5		BDBARO
CC(=O)SCC1CC[N+](C)(C)CC1	ZINC000138352270	384570835	/nfs/dbraw/zinc/57/08/35/384570835.db2.gz	DRQREGSOYOWLBB-UHFFFAOYSA-N	1	0	202.343	1.753	50	5		BDBARO
Cc1cc(C2=CC[NH2+]CC2)cc([N+](=O)[O-])c1N	ZINC000071372577	384855165	/nfs/dbraw/zinc/85/51/65/384855165.db2.gz	UKFLRAQLRJRNKZ-UHFFFAOYSA-N	1	0	233.271	1.862	50	5		BDBARO
CNc1ccc(OCC[N+](C)(C)C)cc1	ZINC000057218613	384931647	/nfs/dbraw/zinc/93/16/47/384931647.db2.gz	PQXFJLVPJBLNPE-UHFFFAOYSA-N	1	0	209.313	1.813	50	5		BDBARO
COC(=O)c1ccc([C@@H](C)[N+](C)(C)C)o1	ZINC000000506665	385244628	/nfs/dbraw/zinc/24/46/28/385244628.db2.gz	IOKDMKGPWZXEHN-MRVPVSSYSA-N	1	0	212.269	1.833	50	5		BDBARO
C[NH+](C)CCNc1cc(F)ccc1[N+](=O)[O-]	ZINC000052119071	385697839	/nfs/dbraw/zinc/69/78/39/385697839.db2.gz	YNJHWNSWHUEMEJ-UHFFFAOYSA-N	1	0	227.239	1.707	50	5		BDBARO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1	ZINC000003877867	132315853	/nfs/dbraw/zinc/31/58/53/132315853.db2.gz	UBLZWKCJZSDBGQ-UWVGGRQHSA-N	1	0	235.287	1.781	50	5		BDBARO
O=[N+]([O-])c1cc(F)ccc1N1CC[NH2+]CC1	ZINC000004334531	132316388	/nfs/dbraw/zinc/31/63/88/132316388.db2.gz	ZPYLKZRKXDCEQI-UHFFFAOYSA-N	1	0	225.223	1.144	50	5		BDBARO
Cc1cc(O[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-]	ZINC000014632278	178214385	/nfs/dbraw/zinc/21/43/85/178214385.db2.gz	PRIBNNSMGXTXTJ-JTQLQIEISA-N	1	0	222.244	1.644	50	5		BDBARO
C[NH+]1CCC(Nc2ncccc2[N+](=O)[O-])CC1	ZINC000037248249	361777036	/nfs/dbraw/zinc/77/70/36/361777036.db2.gz	FYLYFAXPUULTJO-UHFFFAOYSA-N	1	0	236.275	1.496	50	5		BDBARO
O=[N+]([O-])c1ccccc1O[C@H]1CC[NH2+]C1	ZINC000042782906	362025024	/nfs/dbraw/zinc/02/50/24/362025024.db2.gz	DGNJXGLDTNVYES-QMMMGPOBSA-N	1	0	208.217	1.336	50	5		BDBARO
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](O)C2)cc1	ZINC000000238635	344651074	/nfs/dbraw/zinc/65/10/74/344651074.db2.gz	JZGUMNUJINRTOF-LBPRGKRZSA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1	ZINC000000238626	344651415	/nfs/dbraw/zinc/65/14/15/344651415.db2.gz	JZGUMNUJINRTOF-GFCCVEGCSA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1cccc(C[NH+]2CCC(O)CC2)c1	ZINC000000240971	344655689	/nfs/dbraw/zinc/65/56/89/344655689.db2.gz	JBMXFSRPVGCDJA-UHFFFAOYSA-N	1	0	236.271	1.552	50	5		BDBARO
CC[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000000294057	344677850	/nfs/dbraw/zinc/67/78/50/344677850.db2.gz	LEJUIMZPXQQQPP-UHFFFAOYSA-N	1	0	249.314	1.732	50	5		BDBARO
C[C@H]1C[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-]	ZINC000070037390	191003055	/nfs/dbraw/zinc/00/30/55/191003055.db2.gz	MGFDLYFQEWFRCE-NSHDSACASA-N	1	0	249.314	1.731	50	5		BDBARO
O=[N+]([O-])c1cc(F)ccc1N1CCC[NH2+]CC1	ZINC000015443225	352971136	/nfs/dbraw/zinc/97/11/36/352971136.db2.gz	HFLSWHSIIVSRPS-UHFFFAOYSA-N	1	0	239.250	1.534	50	5		BDBARO
CC(=O)OC[C@H]1CCC[N@@+]2(C)CCCC[C@@H]12	ZINC000253388617	368943742	/nfs/dbraw/zinc/94/37/42/368943742.db2.gz	IRJFKIJBEVHDQK-HZSPNIEDSA-N	1	0	226.340	1.959	50	5	biogenic	BDBARO
O=[N+]([O-])c1ccccc1O[C@@H]1CC[NH2+]C1	ZINC000042782905	182952717	/nfs/dbraw/zinc/95/27/17/182952717.db2.gz	DGNJXGLDTNVYES-MRVPVSSYSA-N	1	0	208.217	1.336	50	5		BDBARO
O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)nc1	ZINC000042783015	182938811	/nfs/dbraw/zinc/93/88/11/182938811.db2.gz	HCXRCUGMFMSGIO-UHFFFAOYSA-N	1	0	237.259	1.368	50	5		BDBARO
C[N+]1(Cc2ccccc2)CCC(=O)CC1	ZINC000004976418	384091219	/nfs/dbraw/zinc/09/12/19/384091219.db2.gz	OXBUCKZAUJPPAG-UHFFFAOYSA-N	1	0	204.293	1.996	50	5		BDBARO
C[NH+]1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000000041566	173087545	/nfs/dbraw/zinc/08/75/45/173087545.db2.gz	TZZWNVPIAQKNTG-UHFFFAOYSA-N	1	0	235.287	1.342	50	5		BDBARO
C[NH2+][C@H](C)CNc1ncc([N+](=O)[O-])cc1Cl	ZINC000261574107	536404941	/nfs/dbraw/zinc/40/49/41/536404941.db2.gz	JBJBPASQASQHFU-ZCFIWIBFSA-N	1	0	244.682	1.663	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)cc1	ZINC000042782891	362024691	/nfs/dbraw/zinc/02/46/91/362024691.db2.gz	WKAQCLQUGQACEV-LLVKDONJSA-N	1	0	222.244	1.726	50	5		BDBARO
O=[N+]([O-])c1cccc(OC[C@H]2CCC[NH2+]C2)c1	ZINC000014631323	344527523	/nfs/dbraw/zinc/52/75/23/344527523.db2.gz	PARVPNYLZOOZES-JTQLQIEISA-N	1	0	236.271	1.973	50	5		BDBARO
Nc1cc(NCCCC[NH3+])ccc1[N+](=O)[O-]	ZINC000004180812	181377231	/nfs/dbraw/zinc/37/72/31/181377231.db2.gz	KSINODFKTMLZPY-UHFFFAOYSA-N	1	0	224.264	1.328	50	5		BDBARO
[NH3+]CCNc1ncc([N+](=O)[O-])cc1Cl	ZINC000236269950	181398364	/nfs/dbraw/zinc/39/83/64/181398364.db2.gz	QRDSDWJJNUWSEW-UHFFFAOYSA-N	1	0	216.628	1.014	50	5		BDBARO
O=[N+]([O-])c1ccccc1C[N@H+]1CCC[C@H]1CO	ZINC000050114090	383927134	/nfs/dbraw/zinc/92/71/34/383927134.db2.gz	VEKCOKWUNDVROA-NSHDSACASA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](O)C2)cc1	ZINC000061707772	384669839	/nfs/dbraw/zinc/66/98/39/384669839.db2.gz	PYCWMKHHQBPRTP-LLVKDONJSA-N	1	0	222.244	1.161	50	5		BDBARO
CO[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000167014320	385014017	/nfs/dbraw/zinc/01/40/17/385014017.db2.gz	WEKZKECPYBZNCJ-VIFPVBQESA-N	1	0	224.260	1.719	50	5		BDBARO
C[NH+](C)CCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001871347	388011333	/nfs/dbraw/zinc/01/13/33/388011333.db2.gz	SJPJHLBDGCNLAL-UHFFFAOYSA-N	1	0	222.244	1.729	50	5		BDBARO
Cc1ccnc(SCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000089701884	388362009	/nfs/dbraw/zinc/36/20/09/388362009.db2.gz	AHSJBJOAXQXHON-UHFFFAOYSA-N	1	0	241.316	1.952	50	5		BDBARO
C[n+]1ccc(C(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000096191846	388811317	/nfs/dbraw/zinc/81/13/17/388811317.db2.gz	KQOLTBCRVBUMBQ-UHFFFAOYSA-N	1	0	243.242	1.650	50	5		BDBARO
CC[NH+](CC)CCn1ccc(=O)c([N+](=O)[O-])c1	ZINC000097058023	388831731	/nfs/dbraw/zinc/83/17/31/388831731.db2.gz	TZRLCVCEJOCKIS-UHFFFAOYSA-N	1	0	239.275	1.098	50	5		BDBARO
CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003123740	170122344	/nfs/dbraw/zinc/12/23/44/170122344.db2.gz	GPYGUPLVSOWCPG-JTQLQIEISA-N	1	0	210.233	1.238	50	5		BDBARO
Cc1[nH]c2c(cccc2[N+](=O)[O-])c1CC[NH3+]	ZINC000002597442	177509182	/nfs/dbraw/zinc/50/91/82/177509182.db2.gz	BMFLABKABJRKKC-UHFFFAOYSA-N	1	0	219.244	1.886	50	5		BDBARO
CCOC(=O)[C@H]1CCC[N@+]2(C)CCCC[C@@H]12	ZINC000252460016	521311807	/nfs/dbraw/zinc/31/18/07/521311807.db2.gz	AYAOGAWAISPJGQ-OBJOEFQTSA-N	1	0	226.340	1.959	50	5	biogenic	BDBARO
Nc1[nH]cc(-c2ccccc2[N+](=O)[O-])[nH+]1	ZINC000042684305	362017107	/nfs/dbraw/zinc/01/71/07/362017107.db2.gz	HBJPROSKUZWJNS-UHFFFAOYSA-N	1	0	204.189	1.567	50	5		BDBARO
O=[N+]([O-])c1cccc(OCC2CC[NH2+]CC2)c1	ZINC000014631507	344527257	/nfs/dbraw/zinc/52/72/57/344527257.db2.gz	LLXBDOWFCKLGEX-UHFFFAOYSA-N	1	0	236.271	1.973	50	5		BDBARO
[NH3+]CCCNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000004036568	181383842	/nfs/dbraw/zinc/38/38/42/181383842.db2.gz	SFACCKTZHGCRMY-UHFFFAOYSA-N	1	0	246.270	1.904	50	5		BDBARO
O=[N+]([O-])c1ccccc1N1CCC[NH2+]CC1	ZINC000003877857	372083717	/nfs/dbraw/zinc/08/37/17/372083717.db2.gz	KKGIQPLUVKLSNV-UHFFFAOYSA-N	1	0	221.260	1.395	50	5		BDBARO
O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)cc1	ZINC000005390824	182933466	/nfs/dbraw/zinc/93/34/66/182933466.db2.gz	LIQIZDGKPDHEPC-UHFFFAOYSA-N	1	0	221.260	1.395	50	5		BDBARO
O=[N+]([O-])c1ccc(OC[C@@H]2CCC[NH2+]C2)cc1	ZINC000042782893	182938783	/nfs/dbraw/zinc/93/87/83/182938783.db2.gz	OTDTWBRUOXFRKW-SNVBAGLBSA-N	1	0	236.271	1.973	50	5		BDBARO
COC(=O)C[C@H]([NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000095093382	384813466	/nfs/dbraw/zinc/81/34/66/384813466.db2.gz	JGLLZWBBGQKLKV-VIFPVBQESA-N	1	0	224.216	1.158	50	5		BDBARO
Cc1ccc2c(ccc[n+]2C)c1[N+](=O)[O-]	ZINC000072193709	385039790	/nfs/dbraw/zinc/03/97/90/385039790.db2.gz	IMPKUWYTYDCYPE-UHFFFAOYSA-N	1	0	203.221	1.881	50	5		BDBARO
C[C@H](O)CN(C)Cc1c(F)cccc1[N+](=O)[O-]	ZINC000131301482	385324197	/nfs/dbraw/zinc/32/41/97/385324197.db2.gz	BDGCMRRYFVAERK-QMMMGPOBSA-N	1	0	242.250	1.547	50	5		BDBARO
Cc1ccnc(N2CC([NH+](C)C)C2)c1[N+](=O)[O-]	ZINC000089701875	388361628	/nfs/dbraw/zinc/36/16/28/388361628.db2.gz	URRJAYLHIHOLTN-UHFFFAOYSA-N	1	0	236.275	1.048	50	5		BDBARO
[NH3+][C@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	ZINC000041665786	132224103	/nfs/dbraw/zinc/22/41/03/132224103.db2.gz	RYOKIDCWBVOIQC-VIFPVBQESA-N	1	0	221.260	1.522	50	5		BDBARO
Cc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000015443359	132323059	/nfs/dbraw/zinc/32/30/59/132323059.db2.gz	GVXFGLBTILOVGB-UHFFFAOYSA-N	1	0	221.260	1.313	50	5		BDBARO
CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH3+]	ZINC000035414597	167302293	/nfs/dbraw/zinc/30/22/93/167302293.db2.gz	UBPXWPDUNWLUSQ-UHFFFAOYSA-N	1	0	210.233	1.841	50	5		BDBARO
O=[n+]1c2ccccc2n(O)c2ccccc21	ZINC000138253880	343588885	/nfs/dbraw/zinc/58/88/85/343588885.db2.gz	OINNCVINXPJGJH-UHFFFAOYSA-N	1	0	213.216	1.946	50	5		BDBARO
c1csc(N2CC[N+]3(CCCC3)CC2)n1	ZINC000000405551	345475176	/nfs/dbraw/zinc/47/51/76/345475176.db2.gz	WVDDUKVXSPAAHF-UHFFFAOYSA-N	1	0	224.353	1.574	50	5		BDBARO
COC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000004133274	353145549	/nfs/dbraw/zinc/14/55/49/353145549.db2.gz	BVFCWIVZJMNHLS-VIFPVBQESA-N	1	0	224.260	1.719	50	5		BDBARO
O=[N+]([O-])c1cccc(OC2CC[NH2+]CC2)c1	ZINC000014631962	182946463	/nfs/dbraw/zinc/94/64/63/182946463.db2.gz	SUSNPUXOGNMBCZ-UHFFFAOYSA-N	1	0	222.244	1.726	50	5		BDBARO
CCc1ccc(OC[C@@H](O)C[N+](C)(C)C)cc1	ZINC000000242934	383971336	/nfs/dbraw/zinc/97/13/36/383971336.db2.gz	KXORFLXWDMNCPB-ZDUSSCGKSA-N	1	0	238.351	1.695	50	5		BDBARO
O=[N+]([O-])c1ccc(Cl)c(N2CC[NH2+]CC2)c1	ZINC000000036169	132292380	/nfs/dbraw/zinc/29/23/80/132292380.db2.gz	MXEGLLSIGXCAKD-UHFFFAOYSA-N	1	0	241.678	1.658	50	5		BDBARO
O=[N+]([O-])c1cccc(F)c1N1CC[NH2+]CC1	ZINC000067800720	132390514	/nfs/dbraw/zinc/39/05/14/132390514.db2.gz	LADNFZMLQLQVFU-UHFFFAOYSA-N	1	0	225.223	1.144	50	5		BDBARO
CN(C)C(=O)Oc1cccc([N+](C)(C)C)c1	ZINC000000001792	172382707	/nfs/dbraw/zinc/38/27/07/172382707.db2.gz	ALWKGYPQUAPLQC-UHFFFAOYSA-N	1	0	223.296	1.944	50	5	fda	BDBARO
C[NH+](C)CCCOc1ccccc1[N+](=O)[O-]	ZINC000002823389	172445693	/nfs/dbraw/zinc/44/56/93/172445693.db2.gz	ASJDAANUCGWJJC-UHFFFAOYSA-N	1	0	224.260	1.925	50	5		BDBARO
C[N@@H+]1CCCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000000238053	173017174	/nfs/dbraw/zinc/01/71/74/173017174.db2.gz	HUZRGROIJCBIHJ-UHFFFAOYSA-N	1	0	249.314	1.732	50	5		BDBARO
O=[N+]([O-])c1ccc(OC[C@H]2CC[NH2+]C2)cc1	ZINC000042773483	362023354	/nfs/dbraw/zinc/02/33/54/362023354.db2.gz	QYEVQNHPVRZPGD-VIFPVBQESA-N	1	0	222.244	1.583	50	5		BDBARO
Cc1c2cccc([N+](=O)[O-])c2cc[n+]1C	ZINC000000270662	344672533	/nfs/dbraw/zinc/67/25/33/344672533.db2.gz	YXQIMZWLDUVRCM-UHFFFAOYSA-N	1	0	203.221	1.881	50	5		BDBARO
Cc1nc(N2CC([NH+](C)C)C2)ccc1[N+](=O)[O-]	ZINC000096492839	180001477	/nfs/dbraw/zinc/00/14/77/180001477.db2.gz	XAPBNGBWBKHQER-UHFFFAOYSA-N	1	0	236.275	1.048	50	5		BDBARO
O=[N+]([O-])c1ccc(CN2CC[NH2+]CC2)cc1	ZINC000000239618	182929442	/nfs/dbraw/zinc/92/94/42/182929442.db2.gz	VDHHZWTYFFZYBM-UHFFFAOYSA-N	1	0	221.260	1.000	50	5		BDBARO
O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)cc1	ZINC000042782895	182939129	/nfs/dbraw/zinc/93/91/29/182939129.db2.gz	RMYAXTCHVAOLAN-UHFFFAOYSA-N	1	0	236.271	1.973	50	5		BDBARO
O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](O)C1	ZINC000061709126	384669737	/nfs/dbraw/zinc/66/97/37/384669737.db2.gz	WFKLVBKPSQDSIM-SNVBAGLBSA-N	1	0	222.244	1.161	50	5		BDBARO
CC(CNC1CCCCC1)([N+](=O)[O-])[N+](=O)[O-]	ZINC000019324981	388738085	/nfs/dbraw/zinc/73/80/85/388738085.db2.gz	NAXMHKJDAKLRTG-UHFFFAOYSA-N	1	0	231.252	1.178	50	5		BDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@H](C)[NH2+]1	ZINC000003877866	132315765	/nfs/dbraw/zinc/31/57/65/132315765.db2.gz	UBLZWKCJZSDBGQ-AOOOYVTPSA-N	1	0	235.287	1.781	50	5		BDBARO
CC(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000283862	167115366	/nfs/dbraw/zinc/11/53/66/167115366.db2.gz	UAORFCGRZIGNCI-NSHDSACASA-N	1	0	224.260	1.626	50	5	in-man	BDBARO
CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cn1	ZINC000004030643	169782590	/nfs/dbraw/zinc/78/25/90/169782590.db2.gz	RBVAEECTSYJYQA-UHFFFAOYSA-N	1	0	238.291	1.744	50	5		BDBARO
COc1ccc2[nH]cc(CC[NH3+])c2c1[N+](=O)[O-]	ZINC000000518941	175203272	/nfs/dbraw/zinc/20/32/72/175203272.db2.gz	XSQINWNNKSQCOH-UHFFFAOYSA-N	1	0	235.243	1.586	50	5	biogenic	BDBARO
O=[N+]([O-])c1cccnc1NC1CC[NH2+]CC1	ZINC000020324486	342982092	/nfs/dbraw/zinc/98/20/92/342982092.db2.gz	VMIQVBUDYMBBBA-UHFFFAOYSA-N	1	0	222.248	1.154	50	5		BDBARO
C[NH+](C)CCOC(=O)c1cccc([N+](=O)[O-])c1	ZINC000000104840	188098595	/nfs/dbraw/zinc/09/85/95/188098595.db2.gz	VQDYTUAKUJNACF-UHFFFAOYSA-N	1	0	238.243	1.313	50	5		BDBARO
O=[N+]([O-])c1ccc(OCC[NH2+]C2CC2)cc1	ZINC000020525202	182939267	/nfs/dbraw/zinc/93/92/67/182939267.db2.gz	OLWUWJKKLWGYFD-UHFFFAOYSA-N	1	0	222.244	1.726	50	5		BDBARO
C[N+](C)(C)C[C@H](O)COC1CCCCC1	ZINC000001459993	383900324	/nfs/dbraw/zinc/90/03/24/383900324.db2.gz	FVJKOALLUKPKGW-NSHDSACASA-N	1	0	216.345	1.403	50	5		BDBARO
CCc1ccc(OC[C@H](O)C[N+](C)(C)C)cc1	ZINC000000242933	383971006	/nfs/dbraw/zinc/97/10/06/383971006.db2.gz	KXORFLXWDMNCPB-CYBMUJFWSA-N	1	0	238.351	1.695	50	5		BDBARO
Cc1ccc(OCC[NH+](C)C)c([N+](=O)[O-])c1	ZINC000004907378	384201820	/nfs/dbraw/zinc/20/18/20/384201820.db2.gz	VMLDVCLAWICHJF-UHFFFAOYSA-N	1	0	224.260	1.844	50	5		BDBARO
CNc1cc(N2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000004674650	132316614	/nfs/dbraw/zinc/31/66/14/132316614.db2.gz	VDNHQWNTYVPQQL-UHFFFAOYSA-N	1	0	236.275	1.046	50	5		BDBARO
C[NH+](C)CCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005668199	172478179	/nfs/dbraw/zinc/47/81/79/172478179.db2.gz	VFEKCHHDYHKZMK-UHFFFAOYSA-N	1	0	239.231	1.607	50	5		BDBARO
C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000004218910	173387366	/nfs/dbraw/zinc/38/73/66/173387366.db2.gz	YRTNCUPHKWUHMQ-UHFFFAOYSA-N	1	0	200.625	1.968	50	5	in-vitro	BDBARO
Cc1ccc(C[N+]23CCN(CC2)CC3)cc1	ZINC000000383286	342685652	/nfs/dbraw/zinc/68/56/52/342685652.db2.gz	GLPMFSLFTQXMJG-UHFFFAOYSA-N	1	0	217.336	1.641	50	5		BDBARO
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2CO)cc1	ZINC000000213004	344638434	/nfs/dbraw/zinc/63/84/34/344638434.db2.gz	DVGSEEFTCOOVQE-GFCCVEGCSA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1ccc(C[n+]2ccccc2)cc1	ZINC000001687713	357133491	/nfs/dbraw/zinc/13/34/91/357133491.db2.gz	NQZWJOKNWNCQJK-UHFFFAOYSA-N	1	0	215.232	1.931	50	5		BDBARO
O=[N+]([O-])c1cccc(OC[C@@H]2CCC[NH2+]C2)c1	ZINC000014631321	182947192	/nfs/dbraw/zinc/94/71/92/182947192.db2.gz	PARVPNYLZOOZES-SNVBAGLBSA-N	1	0	236.271	1.973	50	5		BDBARO
O=[N+]([O-])c1ccccc1NC1CC[NH2+]CC1	ZINC000006661579	182951079	/nfs/dbraw/zinc/95/10/79/182951079.db2.gz	JFDLNTWOJUPVTD-UHFFFAOYSA-N	1	0	221.260	1.759	50	5		BDBARO
CCC[N@H+](CCO)Cc1ccc([N+](=O)[O-])cc1	ZINC000000215708	169166360	/nfs/dbraw/zinc/16/63/60/169166360.db2.gz	RDNBSWVMGMMAPX-UHFFFAOYSA-N	1	0	238.287	1.799	50	5		BDBARO
[NH3+]CCOc1ccc([N+](=O)[O-])cc1F	ZINC000038082039	384055478	/nfs/dbraw/zinc/05/54/78/384055478.db2.gz	GAMKWSZDECGTCH-UHFFFAOYSA-N	1	0	200.169	1.071	50	5		BDBARO
O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](O)C2)cc1	ZINC000061708271	384671059	/nfs/dbraw/zinc/67/10/59/384671059.db2.gz	JKOWMDIPYUTDPO-GFCCVEGCSA-N	1	0	236.271	1.204	50	5		BDBARO
Cc1ccc(OC2C[NH2+]C2)c([N+](=O)[O-])c1	ZINC000042770044	388445533	/nfs/dbraw/zinc/44/55/33/388445533.db2.gz	CCBYPEAPXRXPBG-UHFFFAOYSA-N	1	0	208.217	1.254	50	5		BDBARO
Cc1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1	ZINC000004344177	132316421	/nfs/dbraw/zinc/31/64/21/132316421.db2.gz	OVKXEUNBXUPEAP-UHFFFAOYSA-N	1	0	221.260	1.313	50	5		BDBARO
CC(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000000000539	167110544	/nfs/dbraw/zinc/11/05/44/167110544.db2.gz	UAORFCGRZIGNCI-LLVKDONJSA-N	1	0	224.260	1.626	50	5	in-man	BDBARO
COc1ccc(CC[N+](C)(C)C)cc1OC	ZINC000000394482	175093505	/nfs/dbraw/zinc/09/35/05/175093505.db2.gz	NFTGJBZGTSUQKG-UHFFFAOYSA-N	1	0	224.324	1.953	50	5		BDBARO
OCC1=CC[N@@+]2(Cc3ccccc3)CC[C@@H](O)[C@@H]12	ZINC000247954846	527528746	/nfs/dbraw/zinc/52/87/46/527528746.db2.gz	MPDVSGSUYGUBLA-OAGGEKHMSA-N	1	0	246.330	1.069	50	5	biogenic	BDBARO
C[N+](C)(C)[C@@H]1CCCCCNC(=O)CC1	ZINC000071786965	356374578	/nfs/dbraw/zinc/37/45/78/356374578.db2.gz	ASAMRRFSUKIQSL-LLVKDONJSA-O	1	0	213.345	1.532	50	5		BDBARO
O=[N+]([O-])c1ccc(OC2CC[NH2+]CC2)nc1	ZINC000040434901	373261786	/nfs/dbraw/zinc/26/17/86/373261786.db2.gz	VQDFIZFGOCWEHK-UHFFFAOYSA-N	1	0	223.232	1.121	50	5		BDBARO
O=[N+]([O-])C1[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]12	ZINC000100644342	182920631	/nfs/dbraw/zinc/92/06/31/182920631.db2.gz	GJYNUKYVXIQGQH-GDNZZTSVSA-N	1	0	218.256	1.394	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)nc1	ZINC000040434864	182939518	/nfs/dbraw/zinc/93/95/18/182939518.db2.gz	JXCQXEHHXLGBTD-SECBINFHSA-N	1	0	223.232	1.121	50	5		BDBARO
OCC[N+]1(Cc2ccccc2)CCCC1	ZINC000000403669	183100058	/nfs/dbraw/zinc/10/00/58/183100058.db2.gz	ZSUIRFXWXNZTCL-UHFFFAOYSA-N	1	0	206.309	1.790	50	5		BDBARO
O[C@H]1C[N+]2(Cc3ccccc3)CCC1CC2	ZINC000000520256	183249334	/nfs/dbraw/zinc/24/93/34/183249334.db2.gz	VHDQBALIKCWKKJ-SLTAFYQDSA-N	1	0	218.320	1.788	50	5		BDBARO
C[NH+](C)CCOc1ccc([N+](=O)[O-])cc1	ZINC000004906830	384089129	/nfs/dbraw/zinc/08/91/29/384089129.db2.gz	YHVRYYYYYRDIAL-UHFFFAOYSA-N	1	0	210.233	1.535	50	5		BDBARO
COC(=O)C[C@@H]([NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000095093383	388759384	/nfs/dbraw/zinc/75/93/84/388759384.db2.gz	JGLLZWBBGQKLKV-SECBINFHSA-N	1	0	224.216	1.158	50	5		BDBARO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000012396590	132321246	/nfs/dbraw/zinc/32/12/46/132321246.db2.gz	AZJZYOFVHUGUDB-CYBMUJFWSA-N	1	0	247.298	1.879	50	5		BDBARO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1	ZINC000015443161	132323014	/nfs/dbraw/zinc/32/30/14/132323014.db2.gz	CPSPDIOZYSRWAZ-QMMMGPOBSA-N	1	0	239.250	1.532	50	5		BDBARO
C[C@@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1	ZINC000015443287	132323016	/nfs/dbraw/zinc/32/30/16/132323016.db2.gz	VOCWNIASSFCCMH-MRVPVSSYSA-N	1	0	239.250	1.532	50	5		BDBARO
C[N@@H+]1CCCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000005689588	173019715	/nfs/dbraw/zinc/01/97/15/173019715.db2.gz	AMISZBKTTDDBEP-UHFFFAOYSA-N	1	0	235.287	1.737	50	5		BDBARO
Cc1cccc(C)c1C[N+]12CCN(CC1)CC2	ZINC000161291330	711811385	/nfs/dbraw/zinc/81/13/85/711811385.db2.gz	PNUNJEFZVKKVTR-UHFFFAOYSA-N	1	0	231.363	1.949	50	5		BDBARO
[NH3+]CCSCc1ccccc1[N+](=O)[O-]	ZINC000019472895	398313879	/nfs/dbraw/zinc/31/38/79/398313879.db2.gz	JCLNAXDNUXWOCC-UHFFFAOYSA-N	1	0	212.274	1.787	50	5		BDBARO
O=[N+]([O-])c1cc(Cl)cc(C2=[NH+]CCN2)c1	ZINC000000611769	348666511	/nfs/dbraw/zinc/66/65/11/348666511.db2.gz	FLISSBAZLKRANS-UHFFFAOYSA-N	1	0	225.635	1.598	50	5		BDBARO
COC(=O)C[C@H]([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000015440691	352970543	/nfs/dbraw/zinc/97/05/43/352970543.db2.gz	WCYSVIMUYDWOPM-VIFPVBQESA-N	1	0	224.216	1.158	50	5		BDBARO
NC(=[NH2+])c1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000022015803	181191948	/nfs/dbraw/zinc/19/19/48/181191948.db2.gz	JDPPZGHPLQRBHS-UHFFFAOYSA-N	1	0	204.189	1.360	50	5		BDBARO
S=C1N=NC(c2ccncc2)[N+]12CCCCC2	ZINC000334156962	134155005	/nfs/dbraw/zinc/15/50/05/134155005.db2.gz	LGIJFQWBZPHDCT-UHFFFAOYSA-N	1	0	246.339	1.647	50	5		BDBARO
O=[N+]([O-])c1ccc(OC2CC[NH2+]CC2)cc1	ZINC000002527213	371568553	/nfs/dbraw/zinc/56/85/53/371568553.db2.gz	JAHDECSRUJTQCB-UHFFFAOYSA-N	1	0	222.244	1.726	50	5		BDBARO
O=[N+]([O-])c1ccc(OC2CC[NH2+]CC2)c(F)c1	ZINC000008698530	182940082	/nfs/dbraw/zinc/94/00/82/182940082.db2.gz	HQBSUDYWDONGAE-UHFFFAOYSA-N	1	0	240.234	1.865	50	5		BDBARO
Cn1c2ccc([N+](=O)[O-])cc2[n+]2ccccc12	ZINC000239562627	388085364	/nfs/dbraw/zinc/08/53/64/388085364.db2.gz	GVVKPLRSCLXWPD-UHFFFAOYSA-N	1	0	228.231	1.825	50	5		BDBARO
CC[NH+](CC)CCCn1nccc1[N+](=O)[O-]	ZINC000194532269	169776834	/nfs/dbraw/zinc/77/68/34/169776834.db2.gz	LISKIQQNJRCPPK-UHFFFAOYSA-N	1	0	226.280	1.523	50	5		BDBARO
C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cn2)CC1	ZINC000061997472	173000029	/nfs/dbraw/zinc/00/00/29/173000029.db2.gz	KJICJWSSVFRTPO-UHFFFAOYSA-N	1	0	237.259	1.463	50	5		BDBARO
CCOC(=O)[C@H]1CCC[N@@+]2(C)CCCC[C@@H]12	ZINC000252460017	521312498	/nfs/dbraw/zinc/31/24/98/521312498.db2.gz	AYAOGAWAISPJGQ-SGMGOOAPSA-N	1	0	226.340	1.959	50	5	biogenic	BDBARO
C[N+]1(Cc2ccc([N+](=O)[O-])cc2)CCOCC1	ZINC000003158367	342733192	/nfs/dbraw/zinc/73/31/92/342733192.db2.gz	GQDRDJXYZSJBBB-UHFFFAOYSA-N	1	0	237.279	1.572	50	5		BDBARO
O=[N+]([O-])c1ccccc1O[C@H]1CCC[NH2+]C1	ZINC000042782901	362024979	/nfs/dbraw/zinc/02/49/79/362024979.db2.gz	VZOUXOOGUDTNEJ-VIFPVBQESA-N	1	0	222.244	1.726	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C2)cc1	ZINC000035635956	358009249	/nfs/dbraw/zinc/00/92/49/358009249.db2.gz	VPXNWRRWISNHME-JTQLQIEISA-N	1	0	208.217	1.336	50	5		BDBARO
COC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000002768531	371654017	/nfs/dbraw/zinc/65/40/17/371654017.db2.gz	SJNSLXDMVRQGGZ-VIFPVBQESA-N	1	0	224.260	1.719	50	5		BDBARO
O=[N+]([O-])c1ccc(OC[C@H]2CCC[NH2+]C2)cc1	ZINC000042782894	182939943	/nfs/dbraw/zinc/93/99/43/182939943.db2.gz	OTDTWBRUOXFRKW-JTQLQIEISA-N	1	0	236.271	1.973	50	5		BDBARO
C[C@@H]([C@H](O)c1ccccc1)[N+](C)(C)CCO	ZINC000001322477	176012019	/nfs/dbraw/zinc/01/20/19/176012019.db2.gz	ONKPVHPJNPSLEK-AAEUAGOBSA-N	1	0	224.324	1.177	50	5	biogenic	BDBARO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)nc1	ZINC000241383549	527362299	/nfs/dbraw/zinc/36/22/99/527362299.db2.gz	MWDDCGZNPYCEBU-NSHDSACASA-N	1	0	248.286	1.274	50	5		BDBARO
Cc1cc(OC[C@H]2CC[NH2+]C2)ccc1[N+](=O)[O-]	ZINC000042773510	178212006	/nfs/dbraw/zinc/21/20/06/178212006.db2.gz	GMVIEYGAXXZULC-JTQLQIEISA-N	1	0	236.271	1.892	50	5		BDBARO
Cc1cc(O[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-]	ZINC000014632277	178213212	/nfs/dbraw/zinc/21/32/12/178213212.db2.gz	PRIBNNSMGXTXTJ-SNVBAGLBSA-N	1	0	222.244	1.644	50	5		BDBARO
COC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000054991789	398285454	/nfs/dbraw/zinc/28/54/54/398285454.db2.gz	PVMCZLMYYOZXCK-SECBINFHSA-N	1	0	224.260	1.719	50	5		BDBARO
O=[N+]([O-])c1nccn1CNc1cc[nH+]cc1	ZINC000001513143	346210495	/nfs/dbraw/zinc/21/04/95/346210495.db2.gz	FFBDPLJNWRUVLJ-UHFFFAOYSA-N	1	0	219.204	1.256	50	5		BDBARO
[NH3+]CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F	ZINC000004183284	181398473	/nfs/dbraw/zinc/39/84/73/181398473.db2.gz	QSTTWRJQEXVTBF-UHFFFAOYSA-N	1	0	249.192	1.984	50	5		BDBARO
O=[N+]([O-])c1ccc(CSC2=[NH+]CCN2)cc1	ZINC000002825734	371669445	/nfs/dbraw/zinc/66/94/45/371669445.db2.gz	HLDWQAGDITYLRA-UHFFFAOYSA-N	1	0	237.284	1.787	50	5		BDBARO
CCC[N@H+](CCO)Cc1cccc([N+](=O)[O-])c1	ZINC000023281463	169167674	/nfs/dbraw/zinc/16/76/74/169167674.db2.gz	CYTBTUFVURJHOP-UHFFFAOYSA-N	1	0	238.287	1.799	50	5		BDBARO
C[C@H](CO)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1	ZINC000135504336	385033003	/nfs/dbraw/zinc/03/30/03/385033003.db2.gz	GHRIFHTYMWZIIM-SNVBAGLBSA-N	1	0	238.287	1.450	50	5		BDBARO
C[N+](C)(CCO)CCCCOc1ccccc1	ZINC000003205221	385106725	/nfs/dbraw/zinc/10/67/25/385106725.db2.gz	LDPKFDMXMNTIKZ-UHFFFAOYSA-N	1	0	238.351	1.914	50	5		BDBARO
O=[N+]([O-])c1cccnc1N1CC([NH+]2CCCC2)C1	ZINC000585093020	386660157	/nfs/dbraw/zinc/66/01/57/386660157.db2.gz	YKMWMBKPSACBNL-UHFFFAOYSA-N	1	0	248.286	1.274	50	5		BDBARO
C[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000004990185	173088507	/nfs/dbraw/zinc/08/85/07/173088507.db2.gz	QXWROCIDLCOGKL-UHFFFAOYSA-N	1	0	235.287	1.342	50	5		BDBARO
Cc1cc(N2CCC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000015443271	178114734	/nfs/dbraw/zinc/11/47/34/178114734.db2.gz	ZXWIRAVMKNGJDH-UHFFFAOYSA-N	1	0	235.287	1.703	50	5		BDBARO
CC[NH2+]CCNc1ncc([N+](=O)[O-])cc1Cl	ZINC000233520147	342871800	/nfs/dbraw/zinc/87/18/00/342871800.db2.gz	YNGQDSMFYAMOIY-UHFFFAOYSA-N	1	0	244.682	1.665	50	5		BDBARO
O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2CO)cc1	ZINC000000212995	344639691	/nfs/dbraw/zinc/63/96/91/344639691.db2.gz	DVGSEEFTCOOVQE-LBPRGKRZSA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1cn(CNc2cc[nH+]cc2)cn1	ZINC000003179020	346227228	/nfs/dbraw/zinc/22/72/28/346227228.db2.gz	BHCPAESEXOKRKC-UHFFFAOYSA-N	1	0	219.204	1.256	50	5		BDBARO
O=[N+]([O-])c1cncn1CNc1cc[nH+]cc1	ZINC000005491595	346265359	/nfs/dbraw/zinc/26/53/59/346265359.db2.gz	ANTNLEQCSGIAAZ-UHFFFAOYSA-N	1	0	219.204	1.256	50	5		BDBARO
[NH3+]C1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000020457235	181345292	/nfs/dbraw/zinc/34/52/92/181345292.db2.gz	BZJKVQATQCWDFN-UHFFFAOYSA-N	1	0	235.287	1.518	50	5		BDBARO
O=[N+]([O-])c1cccc(OC[C@H]2CC[NH2+]C2)c1	ZINC000038580801	372708056	/nfs/dbraw/zinc/70/80/56/372708056.db2.gz	JHGXVKJNSRVGHX-VIFPVBQESA-N	1	0	222.244	1.583	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)nc1	ZINC000040434865	373262772	/nfs/dbraw/zinc/26/27/72/373262772.db2.gz	JXCQXEHHXLGBTD-VIFPVBQESA-N	1	0	223.232	1.121	50	5		BDBARO
O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1	ZINC000004899445	182363049	/nfs/dbraw/zinc/36/30/49/182363049.db2.gz	JWXPYNYNEUYKOW-JTQLQIEISA-N	1	0	235.243	1.285	50	5	in-vitro	BDBARO
O=[N+]([O-])c1cccc(C[n+]2ccccc2)c1	ZINC000002166185	182945040	/nfs/dbraw/zinc/94/50/40/182945040.db2.gz	YQFKMKHLPBYMKT-UHFFFAOYSA-N	1	0	215.232	1.931	50	5		BDBARO
O=[N+]([O-])c1ccc(OC[C@@H]2CC[NH2+]C2)cc1	ZINC000042773480	182938681	/nfs/dbraw/zinc/93/86/81/182938681.db2.gz	QYEVQNHPVRZPGD-SECBINFHSA-N	1	0	222.244	1.583	50	5		BDBARO
CO[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000167014432	385012777	/nfs/dbraw/zinc/01/27/77/385012777.db2.gz	WEKZKECPYBZNCJ-SECBINFHSA-N	1	0	224.260	1.719	50	5		BDBARO
C[N+](C)(C)C[C@@H](O)CSCc1ccccc1	ZINC000004831680	387234094	/nfs/dbraw/zinc/23/40/94/387234094.db2.gz	IPUWLJCMFZKPEZ-CYBMUJFWSA-N	1	0	240.392	1.987	50	5		BDBARO
C[NH2+][C@@H](C)CNc1ncc([N+](=O)[O-])cc1Cl	ZINC000261574106	536344880	/nfs/dbraw/zinc/34/48/80/536344880.db2.gz	JBJBPASQASQHFU-LURJTMIESA-N	1	0	244.682	1.663	50	5		BDBARO
Cc1cc([N+](=O)[O-])c(NCC[NH3+])c([N+](=O)[O-])c1	ZINC000003877757	178270077	/nfs/dbraw/zinc/27/00/77/178270077.db2.gz	YYDUAKWHVQRKCS-UHFFFAOYSA-N	1	0	240.219	1.182	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)cc1	ZINC000042782892	362024986	/nfs/dbraw/zinc/02/49/86/362024986.db2.gz	WKAQCLQUGQACEV-NSHDSACASA-N	1	0	222.244	1.726	50	5		BDBARO
NNc1ccc(-c2cccc([N+](=O)[O-])c2)n[nH+]1	ZINC000011567899	344375666	/nfs/dbraw/zinc/37/56/66/344375666.db2.gz	UPZRMKUKTKWQKL-UHFFFAOYSA-N	1	0	231.215	1.337	50	5		BDBARO
O=[N+]([O-])c1cccc(O[C@H]2CCC[NH2+]C2)c1	ZINC000014631812	344527220	/nfs/dbraw/zinc/52/72/20/344527220.db2.gz	KEZVNFHKMNOBOA-NSHDSACASA-N	1	0	222.244	1.726	50	5		BDBARO
O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H](O)C2)c1	ZINC000004978198	344873597	/nfs/dbraw/zinc/87/35/97/344873597.db2.gz	YHQMWNLGTJXJIL-LBPRGKRZSA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1cccnc1N[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000044411815	345058207	/nfs/dbraw/zinc/05/82/07/345058207.db2.gz	FIVDEDNJPBXRPN-SECBINFHSA-N	1	0	248.286	1.638	50	5		BDBARO
[NH3+]Cc1ccc(OCC2CC2)c([N+](=O)[O-])c1	ZINC000036765170	361397562	/nfs/dbraw/zinc/39/75/62/361397562.db2.gz	SDGHGBHAYNZPQS-UHFFFAOYSA-N	1	0	222.244	1.842	50	5		BDBARO
[NH3+]CCCNc1ncnc2ccc([N+](=O)[O-])cc21	ZINC000081588875	181382940	/nfs/dbraw/zinc/38/29/40/181382940.db2.gz	LHKOBDNKRPSFKM-UHFFFAOYSA-N	1	0	247.258	1.299	50	5		BDBARO
C[NH+](C)CCCOc1ncccc1[N+](=O)[O-]	ZINC000061997475	385023508	/nfs/dbraw/zinc/02/35/08/385023508.db2.gz	ITZAFWVPEZRGCV-UHFFFAOYSA-N	1	0	225.248	1.320	50	5		BDBARO
C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000012370212	132321096	/nfs/dbraw/zinc/32/10/96/132321096.db2.gz	IIRKKCDXJIXWHI-UHFFFAOYSA-N	1	0	221.260	1.347	50	5		BDBARO
O=[N+]([O-])c1ccc(CCC[NH2+]CCO)cc1	ZINC000021985884	398088652	/nfs/dbraw/zinc/08/86/52/398088652.db2.gz	RGJQCMUPYAXGNG-UHFFFAOYSA-N	1	0	224.260	1.109	50	5		BDBARO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000003897720	535748849	/nfs/dbraw/zinc/74/88/49/535748849.db2.gz	XEWICNRVCQLKIG-UHFFFAOYSA-N	1	0	235.287	1.737	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C2)c(Cl)c1	ZINC000042783036	362024848	/nfs/dbraw/zinc/02/48/48/362024848.db2.gz	DGENJXLKQLLMCR-QMMMGPOBSA-N	1	0	242.662	1.989	50	5		BDBARO
O=[N+]([O-])c1cccc(O[C@@H]2CC[NH2+]C2)c1	ZINC000014632275	344526750	/nfs/dbraw/zinc/52/67/50/344526750.db2.gz	SRLOKZSYXKQYDZ-SNVBAGLBSA-N	1	0	208.217	1.336	50	5		BDBARO
CC(C)[C@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004899514	344780451	/nfs/dbraw/zinc/78/04/51/344780451.db2.gz	IFIZCLBWDPSXDM-JTQLQIEISA-N	1	0	237.259	1.517	50	5		BDBARO
CC(C)([NH3+])CNc1ccc([N+](=O)[O-])cc1F	ZINC000071893766	187615645	/nfs/dbraw/zinc/61/56/45/187615645.db2.gz	QZAAFOYAANKQHZ-UHFFFAOYSA-N	1	0	227.239	1.883	50	5		BDBARO
O=[N+]([O-])c1cccc(CSC2=[NH+]CCN2)c1	ZINC000009613824	370539456	/nfs/dbraw/zinc/53/94/56/370539456.db2.gz	MATHIEDKJLODTO-UHFFFAOYSA-N	1	0	237.284	1.787	50	5		BDBARO
C[N+]1(C[C@@H]2COC3(CCCC3)O2)CCOCC1	ZINC000000202465	383902596	/nfs/dbraw/zinc/90/25/96/383902596.db2.gz	VPXQDJZXBXRASW-GFCCVEGCSA-N	1	0	242.339	1.149	50	5		BDBARO
[NH3+][C@@H]1CCCN(c2ccccc2[N+](=O)[O-])C1	ZINC000041665792	132224434	/nfs/dbraw/zinc/22/44/34/132224434.db2.gz	RYOKIDCWBVOIQC-SECBINFHSA-N	1	0	221.260	1.522	50	5		BDBARO
Cc1cc(N2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000044713476	132354805	/nfs/dbraw/zinc/35/48/05/132354805.db2.gz	YVVZWEJZESFFDB-UHFFFAOYSA-N	1	0	235.287	1.655	50	5		BDBARO
CC(C)[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1	ZINC000071788750	167029021	/nfs/dbraw/zinc/02/90/21/167029021.db2.gz	ZIOWRFGMACFOQB-UHFFFAOYSA-N	1	0	221.260	1.756	50	5		BDBARO
CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000003123741	170120503	/nfs/dbraw/zinc/12/05/03/170120503.db2.gz	GPYGUPLVSOWCPG-SNVBAGLBSA-N	1	0	210.233	1.238	50	5		BDBARO
C[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000004977684	173090748	/nfs/dbraw/zinc/09/07/48/173090748.db2.gz	FTWAMEGOZZYQHK-UHFFFAOYSA-N	1	0	235.287	1.342	50	5		BDBARO
NC(=[NH2+])SCc1ccc([N+](=O)[O-])s1	ZINC000096027004	342695068	/nfs/dbraw/zinc/69/50/68/342695068.db2.gz	YYBAHOAQPASQBG-UHFFFAOYSA-N	1	0	217.275	1.783	50	5		BDBARO
CC12C[C@@]3(C)C[C@@](C)(C1)C[N+](C)(C3)[C@H]2O	ZINC000005445638	188277400	/nfs/dbraw/zinc/27/74/00/188277400.db2.gz	KQJKMIVYPMDOFN-OMXXWXSESA-N	1	0	210.341	1.981	50	5		BDBARO
[NH3+]CCNc1ccc([N+](=O)[O-])c(NC2CC2)c1	ZINC000004406372	181398343	/nfs/dbraw/zinc/39/83/43/181398343.db2.gz	NUOXESICGIOAOT-UHFFFAOYSA-N	1	0	236.275	1.540	50	5		BDBARO
C[C@@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000008535098	372753062	/nfs/dbraw/zinc/75/30/62/372753062.db2.gz	LSDVLXCTMQQSPC-MRVPVSSYSA-N	1	0	210.233	1.065	50	5		BDBARO
O=[N+]([O-])c1ccccc1OC[C@@H]1CCC[NH2+]C1	ZINC000042782902	182952320	/nfs/dbraw/zinc/95/23/20/182952320.db2.gz	BGCMJHWSOXRZHS-SNVBAGLBSA-N	1	0	236.271	1.973	50	5		BDBARO
C[N+](C)(C)CCOC(=O)c1ccccc1	ZINC000000125014	383830138	/nfs/dbraw/zinc/83/01/38/383830138.db2.gz	HOPVGFKDVOOCHD-UHFFFAOYSA-N	1	0	208.281	1.550	50	5		BDBARO
O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@H]2CO)c1	ZINC000050113931	383925226	/nfs/dbraw/zinc/92/52/26/383925226.db2.gz	KWXQVRVJFDDMAX-LBPRGKRZSA-N	1	0	236.271	1.552	50	5		BDBARO
[NH3+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000000225499	383932661	/nfs/dbraw/zinc/93/26/61/383932661.db2.gz	GPZRBKWRRKBOAC-UHFFFAOYSA-N	1	0	205.217	1.577	50	5		BDBARO
Cc1ccc(OC[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1	ZINC000042773440	388113472	/nfs/dbraw/zinc/11/34/72/388113472.db2.gz	VALCPKCJKGMDBB-JTQLQIEISA-N	1	0	236.271	1.892	50	5		BDBARO
Cc1ccc(O[C@H]2CC[NH2+]C2)c([N+](=O)[O-])c1	ZINC000042782890	388113569	/nfs/dbraw/zinc/11/35/69/388113569.db2.gz	OJRIYKBNXFQDHH-VIFPVBQESA-N	1	0	222.244	1.644	50	5		BDBARO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000003877860	132315598	/nfs/dbraw/zinc/31/55/98/132315598.db2.gz	GZNDUKANJZIZOT-UHFFFAOYSA-N	1	0	221.260	1.347	50	5		BDBARO
C[C@H]1CN(c2ccc(F)cc2[N+](=O)[O-])CC[NH2+]1	ZINC000015443289	132322922	/nfs/dbraw/zinc/32/29/22/132322922.db2.gz	VOCWNIASSFCCMH-QMMMGPOBSA-N	1	0	239.250	1.532	50	5		BDBARO
C[N@@H+]1CCCN(Cc2ccc([N+](=O)[O-])o2)CC1	ZINC000000237859	173016045	/nfs/dbraw/zinc/01/60/45/173016045.db2.gz	QRHPYHZVXPYGEA-UHFFFAOYSA-N	1	0	239.275	1.325	50	5		BDBARO
OCC1=CC[N@+]2(Cc3ccccc3)CC[C@H](O)[C@@H]12	ZINC000245377569	527527957	/nfs/dbraw/zinc/52/79/57/527527957.db2.gz	MPDVSGSUYGUBLA-ARFHVFGLSA-N	1	0	246.330	1.069	50	5	biogenic	BDBARO
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1CC[NH3+]	ZINC000000032541	344016754	/nfs/dbraw/zinc/01/67/54/344016754.db2.gz	CVTNZTGTHNNCTN-UHFFFAOYSA-N	1	0	219.244	1.886	50	5		BDBARO
O=[N+]([O-])c1ccc([C@H]2C[NH2+]CCO2)cc1	ZINC000036154828	188278839	/nfs/dbraw/zinc/27/88/39/188278839.db2.gz	SGUCKOYGKLBSOC-SNVBAGLBSA-N	1	0	208.217	1.256	50	5		BDBARO
c1ccc2c(c1)n[n+]1c3ccccc3[nH]n21	ZINC000011525731	384688179	/nfs/dbraw/zinc/68/81/79/384688179.db2.gz	RASKWZFMGKEGOQ-UHFFFAOYSA-N	1	0	209.232	1.554	50	5		BDBARO
COC[C@@](C)([NH3+])CNc1ccccc1[N+](=O)[O-]	ZINC000072284424	384999548	/nfs/dbraw/zinc/99/95/48/384999548.db2.gz	MEZBKUXJXJTUFG-NSHDSACASA-N	1	0	239.275	1.371	50	5		BDBARO
CC[NH2+]CCNc1ccc([N+](=O)[O-])cc1	ZINC000004543840	170116592	/nfs/dbraw/zinc/11/65/92/170116592.db2.gz	CFDAXWLTQQMKRJ-UHFFFAOYSA-N	1	0	209.249	1.616	50	5		BDBARO
CC[NH2+]Cc1ccc(NC)c([N+](=O)[O-])c1	ZINC000078442940	170127537	/nfs/dbraw/zinc/12/75/37/170127537.db2.gz	PWWVTDYJQXADRO-UHFFFAOYSA-N	1	0	209.249	1.746	50	5		BDBARO
CCOC(=O)C[C@H]([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000053995072	170233795	/nfs/dbraw/zinc/23/37/95/170233795.db2.gz	VDXTZDRXJICHPV-JTQLQIEISA-N	1	0	238.243	1.548	50	5		BDBARO
C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cn1	ZINC000025371295	172396960	/nfs/dbraw/zinc/39/69/60/172396960.db2.gz	GKKMWVQGMRRSOC-UHFFFAOYSA-N	1	0	238.291	1.742	50	5		BDBARO
CCOC(=O)[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000252441019	521130730	/nfs/dbraw/zinc/13/07/30/521130730.db2.gz	AYAOGAWAISPJGQ-BZPMIXESSA-N	1	0	226.340	1.959	50	5		BDBARO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])cn2)CC1	ZINC000004612743	535748136	/nfs/dbraw/zinc/74/81/36/535748136.db2.gz	SYRNFCTUTWHXPO-UHFFFAOYSA-N	1	0	236.275	1.132	50	5		BDBARO
O=[N+]([O-])c1ccccc1O[C@@H]1CCC[NH2+]C1	ZINC000042782900	362025158	/nfs/dbraw/zinc/02/51/58/362025158.db2.gz	VZOUXOOGUDTNEJ-SECBINFHSA-N	1	0	222.244	1.726	50	5		BDBARO
O=[N+]([O-])c1ccsc1C[n+]1ccccc1	ZINC000000334366	344701915	/nfs/dbraw/zinc/70/19/15/344701915.db2.gz	VTQRXMNBPRCIAJ-UHFFFAOYSA-N	1	0	221.261	1.992	50	5		BDBARO
Cc1ccc(O[C@@H]2CC[NH2+]C2)c([N+](=O)[O-])c1	ZINC000042782889	178818091	/nfs/dbraw/zinc/81/80/91/178818091.db2.gz	OJRIYKBNXFQDHH-SECBINFHSA-N	1	0	222.244	1.644	50	5		BDBARO
CC(=O)Nc1ccc(OCC[N+](C)(C)C)cc1	ZINC000060259185	188302447	/nfs/dbraw/zinc/30/24/47/188302447.db2.gz	IWZBMUZDGUVIRZ-UHFFFAOYSA-O	1	0	237.323	1.730	50	5		BDBARO
CC(C)([NH3+])CNc1ncc([N+](=O)[O-])cc1Cl	ZINC000227651698	188331400	/nfs/dbraw/zinc/33/14/00/188331400.db2.gz	NNXKBTLUEFZAKH-UHFFFAOYSA-N	1	0	244.682	1.792	50	5		BDBARO
[NH3+]C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000020457455	181344031	/nfs/dbraw/zinc/34/40/31/181344031.db2.gz	HTIFOGZDWMKLPQ-UHFFFAOYSA-N	1	0	249.270	1.158	50	5		BDBARO
O=[N+]([O-])c1ccccc1C[n+]1ccccc1	ZINC000000274480	182949061	/nfs/dbraw/zinc/94/90/61/182949061.db2.gz	GMGGNXABSJTHGJ-UHFFFAOYSA-N	1	0	215.232	1.931	50	5		BDBARO
C[NH+](C)CCn1cc2cc([N+](=O)[O-])ccc2n1	ZINC000004050547	386692588	/nfs/dbraw/zinc/69/25/88/386692588.db2.gz	YFCPXZBWEHDOEW-UHFFFAOYSA-N	1	0	234.259	1.506	50	5		BDBARO
COC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000002577191	388345130	/nfs/dbraw/zinc/34/51/30/388345130.db2.gz	SJNSLXDMVRQGGZ-SECBINFHSA-N	1	0	224.260	1.719	50	5		BDBARO
CN(CC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1	ZINC000002493753	388838954	/nfs/dbraw/zinc/83/89/54/388838954.db2.gz	HTTUKHGCWVKCBM-UHFFFAOYSA-N	1	0	237.303	1.588	50	5		BDBARO
CC[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000000240514	169995211	/nfs/dbraw/zinc/99/52/11/169995211.db2.gz	QEFNAVWJBZXWHN-UHFFFAOYSA-N	1	0	249.314	1.732	50	5		BDBARO
CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1	ZINC000019737171	170025552	/nfs/dbraw/zinc/02/55/52/170025552.db2.gz	WYGYMIKICPQWCH-UHFFFAOYSA-N	1	0	206.245	1.973	50	5		BDBARO
COC(=O)c1ccc2c(c1)[N+](C)(C)CCO2	ZINC000040566585	173889382	/nfs/dbraw/zinc/88/93/82/173889382.db2.gz	ZONQJHFFQYYVRW-UHFFFAOYSA-N	1	0	222.264	1.433	50	5		BDBARO
COCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000097050803	174336338	/nfs/dbraw/zinc/33/63/38/174336338.db2.gz	LECLCXIUNYXPFG-UHFFFAOYSA-N	1	0	210.233	1.331	50	5		BDBARO
Nc1[nH]cc(-c2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000031891173	398166348	/nfs/dbraw/zinc/16/63/48/398166348.db2.gz	BJZNYQMDYLRHPF-UHFFFAOYSA-N	1	0	204.189	1.567	50	5		BDBARO
C[n+]1c2cc(N)ccc2cc2ccc(N)cc21	ZINC000003775641	188253720	/nfs/dbraw/zinc/25/37/20/188253720.db2.gz	XSIOKTWDEOJMGG-UHFFFAOYSA-O	1	0	224.287	1.982	50	5	aggregator,world	BDBARO
NC(=[NH2+])SCC(=O)c1cccc([N+](=O)[O-])c1	ZINC000025631370	181192691	/nfs/dbraw/zinc/19/26/91/181192691.db2.gz	OBTORDZLPPFPCH-UHFFFAOYSA-N	1	0	239.256	1.404	50	5		BDBARO
[NH3+]CCNc1c(Cl)cccc1[N+](=O)[O-]	ZINC000004142101	181397910	/nfs/dbraw/zinc/39/79/10/181397910.db2.gz	JDPWZYUSWMRIBG-UHFFFAOYSA-N	1	0	215.640	1.619	50	5		BDBARO
C[N+](C)(C)C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000000207086	383907023	/nfs/dbraw/zinc/90/70/23/383907023.db2.gz	DWXTUOMQINKDRD-NSHDSACASA-N	1	0	225.268	1.334	50	5		BDBARO
C[N+]1(Cc2nc3ccccc3[nH]2)CCOCC1	ZINC000012523751	385628778	/nfs/dbraw/zinc/62/87/78/385628778.db2.gz	BMDZFSHGMCKUKW-UHFFFAOYSA-N	1	0	232.307	1.540	50	5		BDBARO
C[C@H]1CN(c2ccccc2[N+](=O)[O-])CC[NH2+]1	ZINC000003878507	132315751	/nfs/dbraw/zinc/31/57/51/132315751.db2.gz	JLCKZYKOWUVIPC-VIFPVBQESA-N	1	0	221.260	1.393	50	5		BDBARO
c1ccc(N2CC[N+]3(CCCC3)CC2)nc1	ZINC000019702121	132326380	/nfs/dbraw/zinc/32/63/80/132326380.db2.gz	PDWBQXNXHUPCCT-UHFFFAOYSA-N	1	0	218.324	1.512	50	5		BDBARO
COc1cc2c(cc1OC)C[N+](C)(C)CC2	ZINC000000488921	175024778	/nfs/dbraw/zinc/02/47/78/175024778.db2.gz	QAVSBDTVJFBPNA-UHFFFAOYSA-N	1	0	222.308	1.836	50	5	biogenic	BDBARO
COc1ccc(C)cc1C[N+]12CCN(CC1)CC2	ZINC000024513522	175076499	/nfs/dbraw/zinc/07/64/99/175076499.db2.gz	PUNUJKHOPJDZCV-UHFFFAOYSA-N	1	0	247.362	1.650	50	5		BDBARO
C[C@H](O)C[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000008498044	176989678	/nfs/dbraw/zinc/98/96/78/176989678.db2.gz	LSDVLXCTMQQSPC-QMMMGPOBSA-N	1	0	210.233	1.065	50	5		BDBARO
C[N+]1(C[C@H]2COC3(CCCC3)O2)CCOCC1	ZINC000000202462	177488156	/nfs/dbraw/zinc/48/81/56/177488156.db2.gz	VPXQDJZXBXRASW-LBPRGKRZSA-N	1	0	242.339	1.149	50	5		BDBARO
Cc1cc(OC2C[NH2+]C2)ccc1[N+](=O)[O-]	ZINC000042770051	178208497	/nfs/dbraw/zinc/20/84/97/178208497.db2.gz	YVVRIDRDZQHWAB-UHFFFAOYSA-N	1	0	208.217	1.254	50	5		BDBARO
Cc1cc(OCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000004907277	178211282	/nfs/dbraw/zinc/21/12/82/178211282.db2.gz	UZWDAOAVUZPXDA-UHFFFAOYSA-N	1	0	224.260	1.844	50	5		BDBARO
C[N@H+](CCNc1ccc([N+](=O)[O-])cn1)C1CC1	ZINC000048325733	343243166	/nfs/dbraw/zinc/24/31/66/343243166.db2.gz	LQPDQKZUYCOQBR-UHFFFAOYSA-N	1	0	236.275	1.496	50	5		BDBARO
O=[N+]([O-])c1ccccc1OC[C@H]1CC[NH2+]C1	ZINC000042773588	343452563	/nfs/dbraw/zinc/45/25/63/343452563.db2.gz	PHHDCMKRUGJWTR-VIFPVBQESA-N	1	0	222.244	1.583	50	5		BDBARO
C[NH+](C)CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000004724953	343975331	/nfs/dbraw/zinc/97/53/31/343975331.db2.gz	RRBKMLUDXQSRPO-UHFFFAOYSA-N	1	0	238.243	1.313	50	5		BDBARO
O=[N+]([O-])c1ccc(C[NH+]2CCC(O)CC2)cc1	ZINC000000240189	344655564	/nfs/dbraw/zinc/65/55/64/344655564.db2.gz	GJERFMGMGRLRMD-UHFFFAOYSA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1cccc(C[N@H+]2CCC[C@@H](O)C2)c1	ZINC000004978207	344873578	/nfs/dbraw/zinc/87/35/78/344873578.db2.gz	YHQMWNLGTJXJIL-GFCCVEGCSA-N	1	0	236.271	1.552	50	5		BDBARO
O=[N+]([O-])c1cccnc1N[C@H]1CC[N@@H+](C2CC2)C1	ZINC000044411817	352315761	/nfs/dbraw/zinc/31/57/61/352315761.db2.gz	FIVDEDNJPBXRPN-VIFPVBQESA-N	1	0	248.286	1.638	50	5		BDBARO
CC(=O)OCc1ccoc1C[N+](C)(C)C	ZINC000003638912	188336512	/nfs/dbraw/zinc/33/65/12/188336512.db2.gz	HANQUPCXRBBXAS-UHFFFAOYSA-N	1	0	212.269	1.549	50	5		BDBARO
O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CC[NH2+]C1	ZINC000042775676	182922940	/nfs/dbraw/zinc/92/29/40/182922940.db2.gz	MHTLBDONZKAGML-QMMMGPOBSA-N	1	0	242.662	1.989	50	5		BDBARO
O=[N+]([O-])c1ccc(OC[C@@H]2CCC[NH2+]C2)nc1	ZINC000040434895	182938819	/nfs/dbraw/zinc/93/88/19/182938819.db2.gz	FCSQFWOMDYYMPS-SECBINFHSA-N	1	0	237.259	1.368	50	5		BDBARO
C[N+](C)(C)C[C@@H](O)COc1ccccc1	ZINC000000173783	384313118	/nfs/dbraw/zinc/31/31/18/384313118.db2.gz	GJTCVMQXALBBCN-LLVKDONJSA-N	1	0	210.297	1.133	50	5		BDBARO
COC[C@](C)([NH3+])CNc1ccccc1[N+](=O)[O-]	ZINC000072284422	385000747	/nfs/dbraw/zinc/00/07/47/385000747.db2.gz	MEZBKUXJXJTUFG-LLVKDONJSA-N	1	0	239.275	1.371	50	5		BDBARO
C[N+](C)(C)Cc1n[nH]c(=O)c2ccccc12	ZINC000001395663	386214389	/nfs/dbraw/zinc/21/43/89/386214389.db2.gz	GEWCCYQXZOKJRF-UHFFFAOYSA-O	1	0	218.280	1.129	50	5		BDBARO
COC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000004133277	386522476	/nfs/dbraw/zinc/52/24/76/386522476.db2.gz	BVFCWIVZJMNHLS-SECBINFHSA-N	1	0	224.260	1.719	50	5		BDBARO
Cc1cc(N2CC[NH2+]CC2)c([N+](=O)[O-])cc1F	ZINC000063110921	132389412	/nfs/dbraw/zinc/38/94/12/132389412.db2.gz	WIKMQZJCOQEDJF-UHFFFAOYSA-N	1	0	239.250	1.452	50	5		BDBARO
CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000078555839	170125826	/nfs/dbraw/zinc/12/58/26/170125826.db2.gz	GNSFCOJJNKSQKI-UHFFFAOYSA-N	1	0	240.259	1.722	50	5		BDBARO
Clc1ccccc1C[N+]12CCN(CC1)CC2	ZINC000005286269	180594917	/nfs/dbraw/zinc/59/49/17/180594917.db2.gz	FZTMDFJACMEUOM-UHFFFAOYSA-N	1	0	237.754	1.986	50	5		BDBARO
NC(=[NH2+])SCc1ccc([N+](=O)[O-])o1	ZINC000004284709	181192887	/nfs/dbraw/zinc/19/28/87/181192887.db2.gz	LCVGRGCSZQLCAN-UHFFFAOYSA-N	1	0	201.207	1.314	50	5		BDBARO
[NH3+]CCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000004142538	181398383	/nfs/dbraw/zinc/39/83/83/181398383.db2.gz	RDPNPSAGQXSAAH-UHFFFAOYSA-N	1	0	215.640	1.619	50	5		BDBARO
c1ccc(C[N+]23CCN(CC2)CC3)cc1	ZINC000000281397	383851904	/nfs/dbraw/zinc/85/19/04/383851904.db2.gz	AQBXOJYDGCYPNQ-UHFFFAOYSA-N	1	0	203.309	1.333	50	5		BDBARO
C[N+](C)(C)CCCNC(=O)c1ccccc1O	ZINC000005696877	384127873	/nfs/dbraw/zinc/12/78/73/384127873.db2.gz	LESBDANBZRIUMW-UHFFFAOYSA-O	1	0	237.323	1.218	50	5		BDBARO
O=[N+]([O-])c1ccc([C@@H](O)C[n+]2ccccc2)cc1	ZINC000000386971	384159541	/nfs/dbraw/zinc/15/95/41/384159541.db2.gz	QCVZBNIGROPKTI-ZDUSSCGKSA-N	1	0	245.258	1.616	50	5		BDBARO
C[C@@H]1CN(c2ccccc2[N+](=O)[O-])CC[NH2+]1	ZINC000003878506	132315768	/nfs/dbraw/zinc/31/57/68/132315768.db2.gz	JLCKZYKOWUVIPC-SECBINFHSA-N	1	0	221.260	1.393	50	5		BDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2F)CC[NH2+]1	ZINC000015443160	132322891	/nfs/dbraw/zinc/32/28/91/132322891.db2.gz	CPSPDIOZYSRWAZ-MRVPVSSYSA-N	1	0	239.250	1.532	50	5		BDBARO
O=[n+]1c2ccccc2n(O)c2ccc(O)cc21	ZINC000334157127	135322118	/nfs/dbraw/zinc/32/21/18/135322118.db2.gz	ZZFSNMKWKQWQQK-UHFFFAOYSA-O	1	0	229.215	1.652	50	5		BDBARO
CC(C)Oc1ccc(C[NH3+])cc1[N+](=O)[O-]	ZINC000034960525	167292179	/nfs/dbraw/zinc/29/21/79/167292179.db2.gz	XMKJILOOKJJDSY-UHFFFAOYSA-N	1	0	210.233	1.841	50	5		BDBARO
C[N+](C)(C)Cc1cnc2ccc(F)cn12	ZINC000094992574	411253146	/nfs/dbraw/zinc/25/31/46/411253146.db2.gz	JWRUXRYYKQMKDM-UHFFFAOYSA-N	1	0	208.260	1.680	50	5		BDBARO
C[N@@H+]1CCCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000000236608	173016851	/nfs/dbraw/zinc/01/68/51/173016851.db2.gz	GSSDFFATVJALPZ-UHFFFAOYSA-N	1	0	249.314	1.732	50	5		BDBARO
COc1ccc(C[NH2+]C2CC2)cc1[N+](=O)[O-]	ZINC000021010875	175105380	/nfs/dbraw/zinc/10/53/80/175105380.db2.gz	IMZMRIKZOJOWHN-UHFFFAOYSA-N	1	0	222.244	1.855	50	5		BDBARO
OCC1=CC[N@@+]2(Cc3ccccc3)CC[C@H](O)[C@@H]12	ZINC000247954849	527528995	/nfs/dbraw/zinc/52/89/95/527528995.db2.gz	MPDVSGSUYGUBLA-XHSDSOJGSA-N	1	0	246.330	1.069	50	5	biogenic	BDBARO
COc1cc(CC[NH3+])c([N+](=O)[O-])cc1OC	ZINC000000138203	344558835	/nfs/dbraw/zinc/55/88/35/344558835.db2.gz	XRCCQNXLMRHYBK-UHFFFAOYSA-N	1	0	226.232	1.113	50	5		BDBARO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000143815608	349313523	/nfs/dbraw/zinc/31/35/23/349313523.db2.gz	AZJZYOFVHUGUDB-ZDUSSCGKSA-N	1	0	247.298	1.879	50	5		BDBARO
[NH3+]CCCCNc1ccc([N+](=O)[O-])cc1	ZINC000004851822	181377783	/nfs/dbraw/zinc/37/77/83/181377783.db2.gz	KBSICLVSAKPMCY-UHFFFAOYSA-N	1	0	209.249	1.746	50	5		BDBARO
CC1(C)CO[C@H](c2ccc([N+](=O)[O-])cc2)[NH2+]1	ZINC000019881758	371196249	/nfs/dbraw/zinc/19/62/49/371196249.db2.gz	ZPNMOPHVOROCRG-SNVBAGLBSA-N	1	0	222.244	1.992	50	5		BDBARO
O=[N+]([O-])c1ccc(OC2C[NH2+]C2)c(Cl)c1	ZINC000042770152	374286938	/nfs/dbraw/zinc/28/69/38/374286938.db2.gz	LFPLGGPNISHGEX-UHFFFAOYSA-N	1	0	228.635	1.599	50	5		BDBARO
C[N+]1(CCOCc2ccccc2)CCOCC1	ZINC000003066121	383996866	/nfs/dbraw/zinc/99/68/66/383996866.db2.gz	ZWHOUMSOGXZBQE-UHFFFAOYSA-N	1	0	236.335	1.680	50	5		BDBARO
O=[N+]([O-])c1cnc(N2CC[NH2+]CC2)c(Cl)c1	ZINC000082550621	384302605	/nfs/dbraw/zinc/30/26/05/384302605.db2.gz	HPFXUNSJCYQVBD-UHFFFAOYSA-N	1	0	242.666	1.053	50	5		BDBARO
CC(C)([NH3+])CNc1ccc(F)cc1[N+](=O)[O-]	ZINC000071893765	384767993	/nfs/dbraw/zinc/76/79/93/384767993.db2.gz	ULSLQCOCDGJWQN-UHFFFAOYSA-N	1	0	227.239	1.883	50	5		BDBARO
[NH3+]Cc1ccc([N+](=O)[O-])cc1Br	ZINC000037652692	388482344	/nfs/dbraw/zinc/48/23/44/388482344.db2.gz	VMXORVQLHXOZFI-UHFFFAOYSA-N	1	0	231.049	1.816	50	5		BDBARO
O=[N+]([O-])c1cccc(Cl)c1N1CC[NH2+]CC1	ZINC000004132190	132316028	/nfs/dbraw/zinc/31/60/28/132316028.db2.gz	GKOXZZHKOZLHRQ-UHFFFAOYSA-N	1	0	241.678	1.658	50	5		BDBARO
CNC(=[NH2+])c1cc(Cl)cc([N+](=O)[O-])c1	ZINC000000048186	173211326	/nfs/dbraw/zinc/21/13/26/173211326.db2.gz	PUKYJKJKFTWCAV-UHFFFAOYSA-N	1	0	213.624	1.793	50	5		BDBARO
COc1ccc([N+](=O)[O-])cc1O[C@@H]1CC[NH2+]C1	ZINC000014632285	175201028	/nfs/dbraw/zinc/20/10/28/175201028.db2.gz	DGLKVXPUUSOJFV-SECBINFHSA-N	1	0	238.243	1.344	50	5		BDBARO
Nc1ccc2c(c1)[n+](=O)c1ccccc1n2O	ZINC000377722230	323240665	/nfs/dbraw/zinc/24/06/65/323240665.db2.gz	IGILMAZMTQEEDE-UHFFFAOYSA-N	1	0	228.231	1.529	50	5		BDBARO
CC[NH+](CC)CCCn1c(C)ncc1[N+](=O)[O-]	ZINC000225449785	370669520	/nfs/dbraw/zinc/66/95/20/370669520.db2.gz	YYKBFTOAGATRDR-UHFFFAOYSA-N	1	0	240.307	1.832	50	5		BDBARO
[NH3+]CCCc1nc2cc([N+](=O)[O-])ccc2[nH]1	ZINC000003897848	181387136	/nfs/dbraw/zinc/38/71/36/181387136.db2.gz	RWHXWZWPKVTAGF-UHFFFAOYSA-N	1	0	220.232	1.362	50	5		BDBARO
[NH3+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	ZINC000003888816	181398703	/nfs/dbraw/zinc/39/87/03/181398703.db2.gz	ZKBIYCKAMFKCNV-UHFFFAOYSA-N	1	0	249.192	1.984	50	5		BDBARO
CC(=O)OC[C@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000253388619	368943914	/nfs/dbraw/zinc/94/39/14/368943914.db2.gz	IRJFKIJBEVHDQK-MGPQQGTHSA-N	1	0	226.340	1.959	50	5	biogenic	BDBARO
C[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000003998834	372111856	/nfs/dbraw/zinc/11/18/56/372111856.db2.gz	URZDYCPQPIZOHT-QMMMGPOBSA-N	1	0	246.270	1.902	50	5		BDBARO
CC[C@H]([NH3+])C(=O)N1CCc2c1cccc2[N+](=O)[O-]	ZINC000178132243	384517178	/nfs/dbraw/zinc/51/71/78/384517178.db2.gz	UZTKXJPCDNHRRC-VIFPVBQESA-N	1	0	249.270	1.221	50	5		BDBARO
C[N+](C)(C)C[C@H](O)CSCc1ccccc1	ZINC000000402565	387220685	/nfs/dbraw/zinc/22/06/85/387220685.db2.gz	IPUWLJCMFZKPEZ-ZDUSSCGKSA-N	1	0	240.392	1.987	50	5		BDBARO
C[N+](C)(C)CCCNC(=O)Nc1ccccc1	ZINC000001743008	387476026	/nfs/dbraw/zinc/47/60/26/387476026.db2.gz	IQALVPYTWZJDHZ-UHFFFAOYSA-O	1	0	236.339	1.904	50	5		BDBARO
C[N+](C)(C)CCCNC(=O)c1ccco1	ZINC000010001057	388443399	/nfs/dbraw/zinc/44/33/99/388443399.db2.gz	RNTLXOZSONKAPN-UHFFFAOYSA-O	1	0	211.285	1.106	50	5		BDBARO
COc1ccc(CSC(N)=[NH2+])cc1[N+](=O)[O-]	ZINC000004348616	175114081	/nfs/dbraw/zinc/11/40/81/175114081.db2.gz	PLKWIFSIXRUXPJ-UHFFFAOYSA-N	1	0	241.272	1.730	50	5		BDBARO
C[N+](C)(C)Cc1[nH]c2ccccc2c1CCO	ZINC000004566052	177487215	/nfs/dbraw/zinc/48/72/15/177487215.db2.gz	HLEKAZXYYLALOQ-UHFFFAOYSA-N	1	0	233.335	1.909	50	5		BDBARO
Cc1cc(OC[C@@H]2CC[NH2+]C2)ccc1[N+](=O)[O-]	ZINC000042773506	178212733	/nfs/dbraw/zinc/21/27/33/178212733.db2.gz	GMVIEYGAXXZULC-SNVBAGLBSA-N	1	0	236.271	1.892	50	5		BDBARO
Cc1ccc(NCCC[NH3+])c([N+](=O)[O-])c1	ZINC000028644947	343130353	/nfs/dbraw/zinc/13/03/53/343130353.db2.gz	FKZUPMCBVURANR-UHFFFAOYSA-N	1	0	209.249	1.664	50	5	investigational	BDBARO
[NH3+]CCCCNc1ccccc1[N+](=O)[O-]	ZINC000003877837	181377707	/nfs/dbraw/zinc/37/77/07/181377707.db2.gz	LMSPIBZJRMGTOC-UHFFFAOYSA-N	1	0	209.249	1.746	50	5		BDBARO
O=[N+]([O-])c1cccc(CN2CC[NH2+]CC2)c1	ZINC000004269403	372186229	/nfs/dbraw/zinc/18/62/29/372186229.db2.gz	NPEYPFYIBGIHQW-UHFFFAOYSA-N	1	0	221.260	1.000	50	5		BDBARO
O=[N+]([O-])c1sccc1C[n+]1ccccc1	ZINC000239563093	182962668	/nfs/dbraw/zinc/96/26/68/182962668.db2.gz	VSAWVLZBXARGIM-UHFFFAOYSA-N	1	0	221.261	1.992	50	5		BDBARO
C[NH+](C)CCCOc1cccc([N+](=O)[O-])c1	ZINC000004868659	384177746	/nfs/dbraw/zinc/17/77/46/384177746.db2.gz	VEEOXWZNKODMQL-UHFFFAOYSA-N	1	0	224.260	1.925	50	5		BDBARO
C[N+]1(C[C@H]2CCCCC2=O)CCOCC1	ZINC000000544789	385488009	/nfs/dbraw/zinc/48/80/09/385488009.db2.gz	JTNNLTBPOWHFHZ-LLVKDONJSA-N	1	0	212.313	1.223	50	5		BDBARO
O=[N+]([O-])c1cc(Cl)ccc1N1CC[NH2+]CC1	ZINC000003877852	132315718	/nfs/dbraw/zinc/31/57/18/132315718.db2.gz	NZFQOXSALNTRDH-UHFFFAOYSA-N	1	0	241.678	1.658	50	5		BDBARO
CCOC(=O)C[C@@H]([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000053995073	170231319	/nfs/dbraw/zinc/23/13/19/170231319.db2.gz	VDXTZDRXJICHPV-SNVBAGLBSA-N	1	0	238.243	1.548	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]C2)c(Cl)c1	ZINC000042783035	362024982	/nfs/dbraw/zinc/02/49/82/362024982.db2.gz	DGENJXLKQLLMCR-MRVPVSSYSA-N	1	0	242.662	1.989	50	5		BDBARO
O=[N+]([O-])c1ncn(CCC[NH+]2CCCCC2)n1	ZINC000187681047	346597574	/nfs/dbraw/zinc/59/75/74/346597574.db2.gz	OWCPGPOPFGEAOA-UHFFFAOYSA-N	1	0	239.279	1.062	50	5		BDBARO
c1ccc(CC[N+]23CCN(CC2)CC3)cc1	ZINC000219768145	350139809	/nfs/dbraw/zinc/13/98/09/350139809.db2.gz	KWFCATNSMUSCIE-UHFFFAOYSA-N	1	0	217.336	1.375	50	5		BDBARO
O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]C2)cc1	ZINC000035635954	358009006	/nfs/dbraw/zinc/00/90/06/358009006.db2.gz	VPXNWRRWISNHME-SNVBAGLBSA-N	1	0	208.217	1.336	50	5		BDBARO
CN1CCCN[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000019323794	371130508	/nfs/dbraw/zinc/13/05/08/371130508.db2.gz	TUWKNGQRPDOYLG-LLVKDONJSA-N	1	0	221.260	1.519	50	5		BDBARO
O=[N+]([O-])c1ccccc1OC1CC[NH2+]CC1	ZINC000038537228	372695124	/nfs/dbraw/zinc/69/51/24/372695124.db2.gz	BAHVOWOITZBNQV-UHFFFAOYSA-N	1	0	222.244	1.726	50	5		BDBARO
O=[N+]([O-])c1ccc(NC2CC[NH2+]CC2)cc1	ZINC000037116585	182935192	/nfs/dbraw/zinc/93/51/92/182935192.db2.gz	ZVUIRBSSLUXSGZ-UHFFFAOYSA-N	1	0	221.260	1.759	50	5		BDBARO
Cc1ccc(CN2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000071257112	384748198	/nfs/dbraw/zinc/74/81/98/384748198.db2.gz	ITORJPNRBFBSSN-UHFFFAOYSA-N	1	0	249.314	1.651	50	5		BDBARO
CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000095883485	388790302	/nfs/dbraw/zinc/79/03/02/388790302.db2.gz	DBFXVOLMGLPKMW-UHFFFAOYSA-N	1	0	235.287	1.737	50	5		BDBARO
C[C@@H]1CN(c2ccccc2[N+](=O)[O-])C[C@H](C)[NH2+]1	ZINC000003877872	132315706	/nfs/dbraw/zinc/31/57/06/132315706.db2.gz	WJUYWKJVECSDQD-AOOOYVTPSA-N	1	0	235.287	1.781	50	5		BDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)C[C@@H](C)[NH2+]1	ZINC000003877869	132315875	/nfs/dbraw/zinc/31/58/75/132315875.db2.gz	UBLZWKCJZSDBGQ-NXEZZACHSA-N	1	0	235.287	1.781	50	5		BDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)c(Cl)c1	ZINC000004131901	132316050	/nfs/dbraw/zinc/31/60/50/132316050.db2.gz	JNUWBYPJOBSXDN-UHFFFAOYSA-N	1	0	241.678	1.658	50	5		BDBARO
O=[N+]([O-])c1cccc(N2CC[NH2+]CC2)c1	ZINC000004244898	132316464	/nfs/dbraw/zinc/31/64/64/132316464.db2.gz	LHHZRIYUOZPKSG-UHFFFAOYSA-N	1	0	207.233	1.004	50	5	in-vivo	BDBARO
O=[N+]([O-])c1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1	ZINC000024660043	132333142	/nfs/dbraw/zinc/33/31/42/132333142.db2.gz	MWDDCGZNPYCEBU-LLVKDONJSA-N	1	0	248.286	1.274	50	5		BDBARO
C[NH+]1CCN(c2ccc(F)c([N+](=O)[O-])c2)CC1	ZINC000036108780	132340024	/nfs/dbraw/zinc/34/00/24/132340024.db2.gz	AQWWLNGQGSKVME-UHFFFAOYSA-N	1	0	239.250	1.486	50	5		BDBARO
CC(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1	ZINC000072446988	167115202	/nfs/dbraw/zinc/11/52/02/167115202.db2.gz	VELMFSUEGUVHCX-NSHDSACASA-N	1	0	224.260	1.626	50	5		BDBARO
COCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000006169815	174336425	/nfs/dbraw/zinc/33/64/25/174336425.db2.gz	SFRPTLAPYFUORQ-UHFFFAOYSA-N	1	0	210.233	1.331	50	5		BDBARO
C[C@@H]1C[N@H+](C)CCN1Cc1ccccc1[N+](=O)[O-]	ZINC000070037389	176267368	/nfs/dbraw/zinc/26/73/68/176267368.db2.gz	MGFDLYFQEWFRCE-LLVKDONJSA-N	1	0	249.314	1.731	50	5		BDBARO
C[N+](C)(C)C[C@H](O)COc1ccccc1	ZINC000000173779	177486494	/nfs/dbraw/zinc/48/64/94/177486494.db2.gz	GJTCVMQXALBBCN-NSHDSACASA-N	1	0	210.297	1.133	50	5		BDBARO
C[N+]1(Cc2cn3ccccc3n2)CCOCC1	ZINC000005071987	177488200	/nfs/dbraw/zinc/48/82/00/177488200.db2.gz	NPDJAGKIJGFHGL-UHFFFAOYSA-N	1	0	232.307	1.311	50	5		BDBARO
C[N+]1(C[C@H]2COC3(CCCC3)O2)CCCC1	ZINC000000185909	398332288	/nfs/dbraw/zinc/33/22/88/398332288.db2.gz	RMINGDOHLCTLQW-LBPRGKRZSA-N	1	0	226.340	1.913	50	5		BDBARO
O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CC[NH2+]C1	ZINC000042775672	343452431	/nfs/dbraw/zinc/45/24/31/343452431.db2.gz	MHTLBDONZKAGML-MRVPVSSYSA-N	1	0	242.662	1.989	50	5		BDBARO
O=[N+]([O-])c1ccccc1CN1CC[NH2+]CC1	ZINC000000239623	344651092	/nfs/dbraw/zinc/65/10/92/344651092.db2.gz	AMMRJTDWARUWQZ-UHFFFAOYSA-N	1	0	221.260	1.000	50	5		BDBARO
[NH3+]CCCc1c[nH]c2ccc([N+](=O)[O-])cc12	ZINC000001792691	181385778	/nfs/dbraw/zinc/38/57/78/181385778.db2.gz	MVCYDPCROLEWGX-UHFFFAOYSA-N	1	0	219.244	1.967	50	5	biogenic	BDBARO
O=C(N[n+]1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000006473475	182346208	/nfs/dbraw/zinc/34/62/08/182346208.db2.gz	LVZKXGGGSONWOW-UHFFFAOYSA-O	1	0	244.230	1.266	50	5		BDBARO
COC(=O)c1ccc([C@H](C)[N+](C)(C)C)o1	ZINC000000506664	385245235	/nfs/dbraw/zinc/24/52/35/385245235.db2.gz	IOKDMKGPWZXEHN-QMMMGPOBSA-N	1	0	212.269	1.833	50	5		BDBARO
CC[N@H+](CC1CC1)Cn1cc([N+](=O)[O-])cn1	ZINC000069797365	388426517	/nfs/dbraw/zinc/42/65/17/388426517.db2.gz	SFHDTRYFCDSZAQ-UHFFFAOYSA-N	1	0	224.264	1.481	50	5		BDBARO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1	ZINC000003860568	132315713	/nfs/dbraw/zinc/31/57/13/132315713.db2.gz	VWOJSRICSKDKAW-UHFFFAOYSA-N	1	0	207.233	1.004	50	5		BDBARO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000004118967	132316053	/nfs/dbraw/zinc/31/60/53/132316053.db2.gz	RINDRBNZJSXBCH-SECBINFHSA-N	1	0	221.260	1.393	50	5		BDBARO
Cc1cc([N+](=O)[O-])ccc1N1CC[NH+](C)CC1	ZINC000045885976	132355013	/nfs/dbraw/zinc/35/50/13/132355013.db2.gz	DUUNJNHSMBYVAY-UHFFFAOYSA-N	1	0	235.287	1.655	50	5		BDBARO
CC(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000072446989	167110984	/nfs/dbraw/zinc/11/09/84/167110984.db2.gz	VELMFSUEGUVHCX-LLVKDONJSA-N	1	0	224.260	1.626	50	5		BDBARO
COc1cc(OC)cc([N+]2(C)CCOCC2)c1	ZINC000000396330	175010858	/nfs/dbraw/zinc/01/08/58/175010858.db2.gz	QELNGMITPKIVQQ-UHFFFAOYSA-N	1	0	238.307	1.671	50	5		BDBARO
O=[N+]([O-])c1cccc(O[C@H]2CC[NH2+]C2)c1	ZINC000014632276	344527538	/nfs/dbraw/zinc/52/75/38/344527538.db2.gz	SRLOKZSYXKQYDZ-JTQLQIEISA-N	1	0	208.217	1.336	50	5		BDBARO
CC(C)([NH3+])CNc1ccccc1[N+](=O)[O-]	ZINC000071893764	187769899	/nfs/dbraw/zinc/76/98/99/187769899.db2.gz	KPSCUJFWZHWWOB-UHFFFAOYSA-N	1	0	209.249	1.744	50	5		BDBARO
O=[N+]([O-])c1ccccc1N1CC[NH2+]CC1	ZINC000003887431	132315742	/nfs/dbraw/zinc/31/57/42/132315742.db2.gz	YJRCDSXLKPERNV-UHFFFAOYSA-N	1	0	207.233	1.004	50	5		BDBARO
C[NH+](C)CCn1cnc2cc([N+](=O)[O-])ccc21	ZINC000004710052	172479509	/nfs/dbraw/zinc/47/95/09/172479509.db2.gz	DGVOOVHBCHKPFI-UHFFFAOYSA-N	1	0	234.259	1.506	50	5		BDBARO
C[NH2+]CCNc1ncc([N+](=O)[O-])cc1Cl	ZINC000234387981	173356911	/nfs/dbraw/zinc/35/69/11/173356911.db2.gz	VSPPUAKYDRLPLE-UHFFFAOYSA-N	1	0	230.655	1.275	50	5		BDBARO
COc1ccc2c(c1[N+](=O)[O-])C[NH2+]CC2	ZINC000215773570	175222972	/nfs/dbraw/zinc/22/29/72/175222972.db2.gz	BFRHOMRTPNJPQT-UHFFFAOYSA-N	1	0	208.217	1.249	50	5		BDBARO
OCC1=CC[N@+]2(Cc3ccccc3)CC[C@@H](O)[C@@H]12	ZINC000245377570	527528398	/nfs/dbraw/zinc/52/83/98/527528398.db2.gz	MPDVSGSUYGUBLA-BZUAXINKSA-N	1	0	246.330	1.069	50	5	biogenic	BDBARO
Cc1cc([N+](=O)[O-])cnc1SCC[NH+](C)C	ZINC000092675629	178274909	/nfs/dbraw/zinc/27/49/09/178274909.db2.gz	JSOIYQUOHANHTA-UHFFFAOYSA-N	1	0	241.316	1.952	50	5		BDBARO
O=[N+]([O-])c1ccccc1OC[C@@H]1CC[NH2+]C1	ZINC000042773584	362023418	/nfs/dbraw/zinc/02/34/18/362023418.db2.gz	PHHDCMKRUGJWTR-SECBINFHSA-N	1	0	222.244	1.583	50	5		BDBARO
CC[NH+]1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000022591825	344104876	/nfs/dbraw/zinc/10/48/76/344104876.db2.gz	WXOLQKZRUBTAHJ-UHFFFAOYSA-N	1	0	249.314	1.732	50	5		BDBARO
O=[N+]([O-])c1cccc(O[C@@H]2CCC[NH2+]C2)c1	ZINC000014631810	344526801	/nfs/dbraw/zinc/52/68/01/344526801.db2.gz	KEZVNFHKMNOBOA-LLVKDONJSA-N	1	0	222.244	1.726	50	5		BDBARO
O=[N+]([O-])c1ccc(CO[C@@H]2CC[NH2+]C2)cc1	ZINC000014632071	344526953	/nfs/dbraw/zinc/52/69/53/344526953.db2.gz	MZXUTWOZVOZHLZ-LLVKDONJSA-N	1	0	222.244	1.473	50	5		BDBARO
O=[N+]([O-])c1ccc(CN2CCSCC2)o1	ZINC000000237598	344651232	/nfs/dbraw/zinc/65/12/32/344651232.db2.gz	YFXDINKHFCBJGC-UHFFFAOYSA-N	1	0	228.273	1.737	50	5		BDBARO
Cc1nc(SCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000089537037	180031307	/nfs/dbraw/zinc/03/13/07/180031307.db2.gz	KNXRLAYDJVKUNE-UHFFFAOYSA-N	1	0	241.316	1.952	50	5		BDBARO
O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c(F)c1	ZINC000015443089	352971247	/nfs/dbraw/zinc/97/12/47/352971247.db2.gz	BSSBZGVNKLRQEL-UHFFFAOYSA-N	1	0	239.250	1.534	50	5		BDBARO
NC(=[NH2+])SCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001735747	181191360	/nfs/dbraw/zinc/19/13/60/181191360.db2.gz	SNVFDTHGBMDHKL-UHFFFAOYSA-N	1	0	239.256	1.404	50	5		BDBARO
[NH3+]CCNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000003877835	181398193	/nfs/dbraw/zinc/39/81/93/181398193.db2.gz	QWERJBJISYXSIZ-UHFFFAOYSA-N	1	0	232.243	1.514	50	5		BDBARO
[NH3+]CCNc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000004142170	181398555	/nfs/dbraw/zinc/39/85/55/181398555.db2.gz	YXBOGCLCWAUVLV-UHFFFAOYSA-N	1	0	215.640	1.619	50	5		BDBARO
Cc1c(C)[n+](=O)c2cc([N+](=O)[O-])ccc2n1O	ZINC000071773988	368381627	/nfs/dbraw/zinc/38/16/27/368381627.db2.gz	GTZYGLCTLVRSRY-UHFFFAOYSA-N	1	0	236.207	1.318	50	5		BDBARO
CC(=O)OC[C@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000253388618	368943326	/nfs/dbraw/zinc/94/33/26/368943326.db2.gz	IRJFKIJBEVHDQK-MCIONIFRSA-N	1	0	226.340	1.959	50	5	biogenic	BDBARO
CC(=O)N(C)c1ccc([N+](C)(C)C)cc1	ZINC000000281862	383851223	/nfs/dbraw/zinc/85/12/23/383851223.db2.gz	XDXMRYYMXNQDIA-UHFFFAOYSA-N	1	0	207.297	1.866	50	5		BDBARO
C[N+](C)(C)C[C@@H](O)COC1CCCCC1	ZINC000001459994	383898632	/nfs/dbraw/zinc/89/86/32/383898632.db2.gz	FVJKOALLUKPKGW-LLVKDONJSA-N	1	0	216.345	1.403	50	5		BDBARO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000004118969	132316147	/nfs/dbraw/zinc/31/61/47/132316147.db2.gz	RINDRBNZJSXBCH-VIFPVBQESA-N	1	0	221.260	1.393	50	5		BDBARO
[NH3+]C1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000005162260	132317348	/nfs/dbraw/zinc/31/73/48/132317348.db2.gz	RRZHTNIPNNRZFW-UHFFFAOYSA-N	1	0	221.260	1.522	50	5		BDBARO
CC(=O)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000021951846	132332106	/nfs/dbraw/zinc/33/21/06/132332106.db2.gz	GHEDOFZBDHZHEP-UHFFFAOYSA-N	1	0	249.270	1.207	50	5		BDBARO
C[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000003998835	398327685	/nfs/dbraw/zinc/32/76/85/398327685.db2.gz	URZDYCPQPIZOHT-MRVPVSSYSA-N	1	0	246.270	1.902	50	5		BDBARO
CC(C)(C)OC(=O)NCC[N+](C)(C)C	ZINC000022067356	343039048	/nfs/dbraw/zinc/03/90/48/343039048.db2.gz	BVAYYGNBWSORGP-UHFFFAOYSA-O	1	0	203.306	1.217	50	5	in-vitro	BDBARO
NC(=[NH2+])SCc1ccc([N+](=O)[O-])cc1	ZINC000004014085	181192873	/nfs/dbraw/zinc/19/28/73/181192873.db2.gz	YNTWTDHRYRBPOL-UHFFFAOYSA-N	1	0	211.246	1.721	50	5	in-vivo	BDBARO
[NH2+]=c1ccn(Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000000493732	181209900	/nfs/dbraw/zinc/20/99/00/181209900.db2.gz	ONRQTXBXHBBJOG-UHFFFAOYSA-N	1	0	229.239	1.924	50	5		BDBARO
CC(=O)OC[C@H]1CCC[N@+]2(C)CCCC[C@@H]12	ZINC000253388620	368943809	/nfs/dbraw/zinc/94/38/09/368943809.db2.gz	IRJFKIJBEVHDQK-RDBSUJKOSA-N	1	0	226.340	1.959	50	5	biogenic	BDBARO
C[N+](C)(C)Cn1c2ccccc2sc1=O	ZINC000000405753	384326604	/nfs/dbraw/zinc/32/66/04/384326604.db2.gz	BWEVQJRQTXRMTD-UHFFFAOYSA-N	1	0	223.321	1.727	50	5		BDBARO
C[NH+](C)CCCOc1ccc([N+](=O)[O-])cn1	ZINC000061997506	385024114	/nfs/dbraw/zinc/02/41/14/385024114.db2.gz	AYHJQPSQEULXRZ-UHFFFAOYSA-N	1	0	225.248	1.320	50	5		BDBARO
C[C@@H](O)CN(C)Cc1c(F)cccc1[N+](=O)[O-]	ZINC000131301673	388847172	/nfs/dbraw/zinc/84/71/72/388847172.db2.gz	BDGCMRRYFVAERK-MRVPVSSYSA-N	1	0	242.250	1.547	50	5		BDBARO
C[NH+](C)CCNc1ccc([N+](=O)[O-])c(N)c1	ZINC000095929100	172470114	/nfs/dbraw/zinc/47/01/14/172470114.db2.gz	ONOIUGPRZXRGRS-UHFFFAOYSA-N	1	0	224.264	1.151	50	5		BDBARO