smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CC[NH+]1CCN(c2cc(N)c(Cl)cc2[N+](=O)[O-])CC1	ZINC000045891175	273666350	/nfs/dbraw/zinc/66/63/50/273666350.db2.gz	ZEOYMBGZXZVKFA-UHFFFAOYSA-N	1	0	284.747	1.972	40	5		CDBBRO
COCC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000247663604	342234931	/nfs/dbraw/zinc/23/49/31/342234931.db2.gz	UYWJKUXCVQQSMS-GUTXKFCHSA-N	1	0	256.366	1.585	40	5	biogenic,in-vitro	CDBBRO
C[C@H](CO)[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000005043950	170060308	/nfs/dbraw/zinc/06/03/08/170060308.db2.gz	QBSBAFLTLGJTDU-SNVBAGLBSA-N	1	0	290.323	1.525	40	5		CDBBRO
C[C@@H]([NH3+])c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000095534671	185007588	/nfs/dbraw/zinc/00/75/88/185007588.db2.gz	WRNFVKDXGRZFIG-SSDOTTSWSA-N	1	0	263.257	1.312	40	5		CDBBRO
O=[N+]([O-])c1ccc(N2CC[NH2+]CC2)cc1-n1ccnc1	ZINC000020436144	285126363	/nfs/dbraw/zinc/12/63/63/285126363.db2.gz	CCMPTXINMXLAHM-UHFFFAOYSA-N	1	0	273.296	1.190	40	5		CDBBRO
CC(=O)[C@H]1C[C@@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	ZINC000003102258	169855719	/nfs/dbraw/zinc/85/57/19/169855719.db2.gz	HVPHBXGPVVDZRF-UONOGXRCSA-N	1	0	281.420	1.546	40	5		CDBBRO
C[NH+]1CCC(O)(CNc2ccc([N+](=O)[O-])cc2F)CC1	ZINC000077230833	177236931	/nfs/dbraw/zinc/23/69/31/177236931.db2.gz	WUOWNUGICIRRPT-UHFFFAOYSA-N	1	0	283.303	1.603	40	5		CDBBRO
C[NH+]1CCN(c2nc3cc4ccccc4cc3c(=O)[nH]2)CC1	ZINC000004962668	277113969	/nfs/dbraw/zinc/11/39/69/277113969.db2.gz	BPQZLNHAQODGAW-UHFFFAOYSA-N	1	0	294.358	1.828	40	5		CDBBRO
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC[NH2+]CC1	ZINC000067799735	374430915	/nfs/dbraw/zinc/43/09/15/374430915.db2.gz	RNEDOZFMJQGDQP-UHFFFAOYSA-N	1	0	283.715	1.684	40	5		CDBBRO
COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000252515354	391909394	/nfs/dbraw/zinc/90/93/94/391909394.db2.gz	IWSRWSNGUTXQKM-NWDGAFQWSA-N	1	0	264.281	1.413	40	5		CDBBRO
O=[N+]([O-])c1ccc(C[NH2+]CCCN2CCOCC2)cc1	ZINC000008728606	296504065	/nfs/dbraw/zinc/50/40/65/296504065.db2.gz	GQRGQGYZDIBGHB-UHFFFAOYSA-N	1	0	279.340	1.407	40	5		CDBBRO
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[NH3+]	ZINC000079420923	358213124	/nfs/dbraw/zinc/21/31/24/358213124.db2.gz	RCFZGVUKHADZOL-VIFPVBQESA-N	1	0	251.286	1.291	40	5		CDBBRO
C[C@H](O)C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12	ZINC000254321259	344146902	/nfs/dbraw/zinc/14/69/02/344146902.db2.gz	ZSOWTAJVTXSYKL-PWNZVWSESA-N	1	0	256.366	1.320	40	5		CDBBRO
C[C@H](O)C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12	ZINC000254321254	344148313	/nfs/dbraw/zinc/14/83/13/344148313.db2.gz	ZSOWTAJVTXSYKL-ABHRYQDASA-N	1	0	256.366	1.320	40	5		CDBBRO
Nc1cc[n+](-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1	ZINC000005179872	283659836	/nfs/dbraw/zinc/65/98/36/283659836.db2.gz	MZHVFDUPQXUBJT-UHFFFAOYSA-O	1	0	261.217	1.362	40	5		CDBBRO
Cc1c(CCO)sc[n+]1Cc1cccc([N+](=O)[O-])c1	ZINC000001703842	370733809	/nfs/dbraw/zinc/73/38/09/370733809.db2.gz	LSSOCQMNECEEEK-UHFFFAOYSA-N	1	0	279.341	1.835	40	5		CDBBRO
CC(C)[C@H]([NH3+])C(=O)N(C)Cc1cccc([N+](=O)[O-])c1	ZINC000037810933	373400083	/nfs/dbraw/zinc/40/00/83/373400083.db2.gz	SMRVEJMVFUVZOC-LBPRGKRZSA-N	1	0	265.313	1.537	40	5		CDBBRO
COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000217669758	375699359	/nfs/dbraw/zinc/69/93/59/375699359.db2.gz	IWSRWSNGUTXQKM-VXGBXAGGSA-N	1	0	264.281	1.413	40	5		CDBBRO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCC[C@H](CO)C1	ZINC000253574332	412996427	/nfs/dbraw/zinc/99/64/27/412996427.db2.gz	SLVIIRJEMSMGFM-VIFPVBQESA-N	1	0	279.300	1.041	40	5		CDBBRO
COc1ccc(-c2nnc([C@H](C)[NH3+])[nH]2)cc1[N+](=O)[O-]	ZINC000095534676	185006552	/nfs/dbraw/zinc/00/65/52/185006552.db2.gz	IDQZSPOSPDHMOW-LURJTMIESA-N	1	0	263.257	1.408	40	5		CDBBRO
C[N@+]12CCCC[C@H]1[C@@H](CON1C(=O)CCC1=O)CCC2	ZINC000254498733	342434246	/nfs/dbraw/zinc/43/42/46/342434246.db2.gz	QQJOVQVFUJPRNJ-IIYDPXPESA-N	1	0	281.376	1.476	40	5		CDBBRO
Cc1ccc(CN2C[C@@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-]	ZINC000063527663	364783882	/nfs/dbraw/zinc/78/38/82/364783882.db2.gz	SYQSMGURBYNROC-KBPBESRZSA-N	1	0	275.352	1.897	40	5		CDBBRO
NC(=O)N1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000079350301	374795135	/nfs/dbraw/zinc/79/51/35/374795135.db2.gz	RURBPYFACCDUBD-UHFFFAOYSA-N	1	0	292.339	1.224	40	5		CDBBRO
O=[N+]([O-])c1ccc2sc(N[C@@H]3CC[NH2+]C3)nc2c1	ZINC000091351688	285152131	/nfs/dbraw/zinc/15/21/31/285152131.db2.gz	SENPJNVYZIFTAG-SSDOTTSWSA-N	1	0	264.310	1.978	40	5		CDBBRO
O=[N+]([O-])c1cnc(N2CCC[C@H]2C[NH+]2CCCCC2)nc1	ZINC000160454458	275040811	/nfs/dbraw/zinc/04/08/11/275040811.db2.gz	UOVVKOQAEOXAEC-LBPRGKRZSA-N	1	0	291.355	1.840	40	5		CDBBRO
O=[N+]([O-])c1cccc(-c2noc(C[n+]3ccccc3)n2)c1	ZINC000000152655	359152043	/nfs/dbraw/zinc/15/20/43/359152043.db2.gz	VKDIFEKXWIEANH-UHFFFAOYSA-N	1	0	283.267	1.981	40	5		CDBBRO
Nc1ccc(CO[C@@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000005580523	170115755	/nfs/dbraw/zinc/11/57/55/170115755.db2.gz	KTWJSOPCHUCXRY-CQSZACIVSA-N	1	0	295.339	1.498	40	5		CDBBRO
[NH3+]CCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1	ZINC000032113440	279138870	/nfs/dbraw/zinc/13/88/70/279138870.db2.gz	WJKKDSLRANDQMF-UHFFFAOYSA-N	1	0	264.329	1.066	40	5		CDBBRO
Cc1c(C(=O)NC2CC[NH+](C)CC2)cccc1[N+](=O)[O-]	ZINC000047829181	357165249	/nfs/dbraw/zinc/16/52/49/357165249.db2.gz	WZZCAFAITKDSPQ-UHFFFAOYSA-N	1	0	277.324	1.727	40	5		CDBBRO
C[NH+]1CCC(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1	ZINC000038957335	174160412	/nfs/dbraw/zinc/16/04/12/174160412.db2.gz	DSXOAUWLUWNYKL-QPJJXVBHSA-N	1	0	289.335	1.818	40	5		CDBBRO
CCOC(=O)C1=C(C)NC(=[NH2+])N[C@@H]1c1ccc([N+](=O)[O-])o1	ZINC000107960561	348741385	/nfs/dbraw/zinc/74/13/85/348741385.db2.gz	HOSDWYPRQUNXAF-SNVBAGLBSA-N	1	0	294.267	1.194	40	5		CDBBRO
O=[N+]([O-])c1cccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)c1	ZINC000064875540	374241225	/nfs/dbraw/zinc/24/12/25/374241225.db2.gz	SSLGEXXKWUYAKL-UHFFFAOYSA-N	1	0	273.296	1.847	40	5		CDBBRO
CCn1cc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[NH+](CC)CC)n1	ZINC000002781818	375324851	/nfs/dbraw/zinc/32/48/51/375324851.db2.gz	YHGRYNCSPJTRFW-JTQLQIEISA-N	1	0	297.359	1.271	40	5		CDBBRO
C[NH2+]C1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1	ZINC000091355790	135068503	/nfs/dbraw/zinc/06/85/03/135068503.db2.gz	LRAFWYBIXWWREQ-UHFFFAOYSA-N	1	0	265.313	1.792	40	5		CDBBRO
O=C(NCCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000007071363	170266942	/nfs/dbraw/zinc/26/69/42/170266942.db2.gz	YWPOPQXJBJOPCK-UHFFFAOYSA-N	1	0	277.324	1.811	40	5		CDBBRO
C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(N)n2)CC1	ZINC000094261279	277031826	/nfs/dbraw/zinc/03/18/26/277031826.db2.gz	PPVNHWWMKVFHCQ-UHFFFAOYSA-N	1	0	251.290	1.078	40	5		CDBBRO
COC[C@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000006437111	170201520	/nfs/dbraw/zinc/20/15/20/170201520.db2.gz	WPTOCXBUQNGTGD-LBPRGKRZSA-N	1	0	282.296	1.328	40	5		CDBBRO
C[C@H](O)C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000254321262	344149988	/nfs/dbraw/zinc/14/99/88/344149988.db2.gz	ZSOWTAJVTXSYKL-RMRHIDDWSA-N	1	0	256.366	1.320	40	5		CDBBRO
CC(C)[C@@H]([NH3+])c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000095534775	256745435	/nfs/dbraw/zinc/74/54/35/256745435.db2.gz	FLYVGLRWAQREQR-GFCCVEGCSA-N	1	0	291.311	1.948	40	5		CDBBRO
CC1(C)[C@H]2CC[C@]1(C)C(=O)N(CCC[N+](C)(C)C)C2=O	ZINC000005963960	281540257	/nfs/dbraw/zinc/54/02/57/281540257.db2.gz	LVXBKXCSVKURTI-BLLLJJGKSA-N	1	0	281.420	1.894	40	5		CDBBRO
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	ZINC001740816781	1184525651	/nfs/dbraw/zinc/52/56/51/1184525651.db2.gz	UQJKDFDWVVCCPW-NSHDSACASA-N	1	0	250.322	1.880	40	5		CDBBRO
COc1cc2c(cc1OC)[C@H](C)[N+](C)(CCO)CC2	ZINC000004026021	363178592	/nfs/dbraw/zinc/17/85/92/363178592.db2.gz	QTDLNPKJXHKAKD-CHPOKUKFSA-N	1	0	266.361	1.760	40	5		CDBBRO
CC[C@@H](CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000075958947	366937507	/nfs/dbraw/zinc/93/75/07/366937507.db2.gz	UMCNOAITOMMHMR-AWEZNQCLSA-N	1	0	293.367	1.483	40	5		CDBBRO
CC(=O)[C@@H]1C[C@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	ZINC000003102261	277096803	/nfs/dbraw/zinc/09/68/03/277096803.db2.gz	HVPHBXGPVVDZRF-KGLIPLIRSA-N	1	0	281.420	1.546	40	5		CDBBRO
COC(=O)CCC(CCC(=O)OC)[N+]1(C)CCCC1	ZINC000003847339	356011176	/nfs/dbraw/zinc/01/11/76/356011176.db2.gz	QOEQPFMXHCNMHI-UHFFFAOYSA-N	1	0	272.365	1.502	40	5		CDBBRO
C[NH+]1CCC(NC(=O)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000047829188	357165576	/nfs/dbraw/zinc/16/55/76/357165576.db2.gz	GDDHCXOZZBGGKK-UHFFFAOYSA-N	1	0	277.324	1.348	40	5		CDBBRO
C[N+]12COC[C@@H]1[C@@H](c1ccc([N+](=O)[O-])cc1)OC2	ZINC000004027375	280178222	/nfs/dbraw/zinc/17/82/22/280178222.db2.gz	VNSCAEYOVMUMCH-QAYQGLBKSA-N	1	0	251.262	1.427	40	5		CDBBRO
CC[C@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000002679920	375294254	/nfs/dbraw/zinc/29/42/54/375294254.db2.gz	QJKOJNFYUVMMIU-WDEREUQCSA-N	1	0	268.313	1.723	40	5		CDBBRO
O=[N+]([O-])c1nccn1CCCCCC[NH+]1CCOCC1	ZINC000013207549	369133849	/nfs/dbraw/zinc/13/38/49/369133849.db2.gz	TVYINGBJVCTMMA-UHFFFAOYSA-N	1	0	282.344	1.684	40	5		CDBBRO
COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000252515355	391909248	/nfs/dbraw/zinc/90/92/48/391909248.db2.gz	IWSRWSNGUTXQKM-RYUDHWBXSA-N	1	0	264.281	1.413	40	5		CDBBRO
CCCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@H]1CC[NH2+]C1	ZINC000071330188	176124225	/nfs/dbraw/zinc/12/42/25/176124225.db2.gz	RHXFFIUAOOVKOF-VIFPVBQESA-N	1	0	283.353	1.870	40	5		CDBBRO
COc1cc(N2CC[NH2+][C@@H](C)C2)ccc1[N+](=O)[O-]	ZINC000091356017	274096481	/nfs/dbraw/zinc/09/64/81/274096481.db2.gz	DJKFKHDMPIGVCK-VIFPVBQESA-N	1	0	251.286	1.402	40	5		CDBBRO
O=[N+]([O-])c1ccc(-c2n[nH]c(C3CC[NH2+]CC3)n2)cc1	ZINC000064875542	374240374	/nfs/dbraw/zinc/24/03/74/374240374.db2.gz	QAJDYWLRWOPEMY-UHFFFAOYSA-N	1	0	273.296	1.847	40	5		CDBBRO
CC1=CC[C@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@H]2C1	ZINC000104388131	390488773	/nfs/dbraw/zinc/48/87/73/390488773.db2.gz	YXVGUNYRDCAJEU-NEPJUHHUSA-N	1	0	251.350	1.034	40	5		CDBBRO
C[NH+]1CCC(O)(CNc2ccccc2[N+](=O)[O-])CC1	ZINC000077230891	177236751	/nfs/dbraw/zinc/23/67/51/177236751.db2.gz	ZLYJANPFEMLHBS-UHFFFAOYSA-N	1	0	265.313	1.463	40	5		CDBBRO
C[N@+]12CCCC[C@@H]1[C@@H](CON1C(=O)CCC1=O)CCC2	ZINC000254498738	342434263	/nfs/dbraw/zinc/43/42/63/342434263.db2.gz	QQJOVQVFUJPRNJ-PBFPGSCMSA-N	1	0	281.376	1.476	40	5		CDBBRO
[NH3+]CC(=O)Nc1cccc2nc3ccccc3nc21	ZINC000085390711	274944403	/nfs/dbraw/zinc/94/44/03/274944403.db2.gz	PTABYGPVDGBUQQ-UHFFFAOYSA-N	1	0	252.277	1.680	40	5		CDBBRO
C[NH+](C)CCNC(=O)CSCc1ccc([N+](=O)[O-])cc1	ZINC000013632535	357214769	/nfs/dbraw/zinc/21/47/69/357214769.db2.gz	MXHXBVWDXZYREF-UHFFFAOYSA-N	1	0	297.380	1.506	40	5		CDBBRO
O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](O)C2)cc1	ZINC000001717741	370788717	/nfs/dbraw/zinc/78/87/17/370788717.db2.gz	OQPRWCQYEWZSPX-CYBMUJFWSA-N	1	0	250.298	1.594	40	5		CDBBRO
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CC[NH2+]CC1	ZINC000032048705	375868687	/nfs/dbraw/zinc/86/86/87/375868687.db2.gz	CQRVKNOINFRLEU-UHFFFAOYSA-N	1	0	269.688	1.294	40	5		CDBBRO
O=[N+]([O-])c1ccc2c(c1)[n+](=O)c1ccccc1n2O	ZINC000584905789	342139736	/nfs/dbraw/zinc/13/97/36/342139736.db2.gz	VQQLDTLKFSQIQW-UHFFFAOYSA-N	1	0	258.213	1.855	40	5		CDBBRO
CCC(=O)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000020154194	392736925	/nfs/dbraw/zinc/73/69/25/392736925.db2.gz	CGYFIIHQIRIJME-UHFFFAOYSA-N	1	0	278.312	1.353	40	5		CDBBRO
CC[C@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075765789	360427580	/nfs/dbraw/zinc/42/75/80/360427580.db2.gz	WSCOTZVHVRZXJG-JSGCOSHPSA-N	1	0	296.371	1.807	40	5		CDBBRO
COC[C@@H](C[NH+](C)C)OC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001577304	369351861	/nfs/dbraw/zinc/35/18/61/369351861.db2.gz	WPTOCXBUQNGTGD-GFCCVEGCSA-N	1	0	282.296	1.328	40	5		CDBBRO
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[NH+](CC)CC	ZINC000002781361	375325150	/nfs/dbraw/zinc/32/51/50/375325150.db2.gz	JHSMHKMGQQPKLS-JTQLQIEISA-N	1	0	297.359	1.271	40	5		CDBBRO
CC[NH+]1CCN(c2cc(N)c(C)cc2[N+](=O)[O-])CC1	ZINC000226262375	273666168	/nfs/dbraw/zinc/66/61/68/273666168.db2.gz	OKSNWXUJCDZAFU-UHFFFAOYSA-N	1	0	264.329	1.627	40	5		CDBBRO
COCC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12	ZINC000247663608	342235006	/nfs/dbraw/zinc/23/50/06/342235006.db2.gz	UYWJKUXCVQQSMS-GZBFAFLISA-N	1	0	256.366	1.585	40	5	biogenic,in-vitro	CDBBRO
C[N+](C)(C)c1ncnc2c1ncn2[C@H]1CCCCO1	ZINC000001684489	355947190	/nfs/dbraw/zinc/94/71/90/355947190.db2.gz	CSZQANOPEOXSKZ-SNVBAGLBSA-N	1	0	262.337	1.722	40	5	in-vitro	CDBBRO
CC[NH+](CC)CCNC(=O)c1ccc([N+](=O)[O-])cc1OC	ZINC000001747158	355951031	/nfs/dbraw/zinc/95/10/31/355951031.db2.gz	WTFSSDYAZCHKSU-UHFFFAOYSA-N	1	0	295.339	1.675	40	5		CDBBRO
CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000075765788	360427237	/nfs/dbraw/zinc/42/72/37/360427237.db2.gz	WSCOTZVHVRZXJG-OCCSQVGLSA-N	1	0	296.371	1.807	40	5		CDBBRO
CCN(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079421016	374405260	/nfs/dbraw/zinc/40/52/60/374405260.db2.gz	HOBBLWIDLWOIOA-ZDUSSCGKSA-N	1	0	279.340	1.927	40	5		CDBBRO
CC[N+](C)(CC)CCN1C(=O)c2ccccc2S1(=O)=O	ZINC000001677233	355946963	/nfs/dbraw/zinc/94/69/63/355946963.db2.gz	RSEZBWBZGLQJNM-UHFFFAOYSA-N	1	0	297.400	1.318	40	5	in-vitro	CDBBRO
C[C@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1	ZINC000071978912	176307640	/nfs/dbraw/zinc/30/76/40/176307640.db2.gz	GIOHDUNRNKYHHW-QMMMGPOBSA-N	1	0	283.715	1.682	40	5		CDBBRO
COc1cc(N2CC[NH2+][C@H](C)C2)ccc1[N+](=O)[O-]	ZINC000091356015	274096691	/nfs/dbraw/zinc/09/66/91/274096691.db2.gz	DJKFKHDMPIGVCK-SECBINFHSA-N	1	0	251.286	1.402	40	5		CDBBRO
COc1cc(N2CC[NH2+]C[C@@H]2C)ccc1[N+](=O)[O-]	ZINC000091356013	277826345	/nfs/dbraw/zinc/82/63/45/277826345.db2.gz	KDXPBEPJFGKOLA-VIFPVBQESA-N	1	0	251.286	1.402	40	5		CDBBRO
[NH3+]CC(=O)Nc1ccc(Br)cc1[N+](=O)[O-]	ZINC000008569610	391959272	/nfs/dbraw/zinc/95/92/72/391959272.db2.gz	AVGRFTRNOALGCI-UHFFFAOYSA-N	1	0	274.074	1.255	40	5		CDBBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC[C@H](CO)C1	ZINC000253576046	334439183	/nfs/dbraw/zinc/43/91/83/334439183.db2.gz	VITRRSJRKUMNET-VIFPVBQESA-N	1	0	279.300	1.041	40	5		CDBBRO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@@H]1CO	ZINC000072582600	358325360	/nfs/dbraw/zinc/32/53/60/358325360.db2.gz	FVFOYVYFIKHAQJ-GFCCVEGCSA-N	1	0	293.323	1.298	40	5		CDBBRO
CC[C@@H](C)[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000002679913	375294409	/nfs/dbraw/zinc/29/44/09/375294409.db2.gz	SMKPDKOHESNKGI-PWSUYJOCSA-N	1	0	268.313	1.723	40	5		CDBBRO
O=[N+]([O-])c1ccc(N2CCC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000037729851	275036047	/nfs/dbraw/zinc/03/60/47/275036047.db2.gz	HBQGMUQPONACFE-UHFFFAOYSA-N	1	0	266.257	1.303	40	5		CDBBRO
O=Cc1ccc2c(c1)n(O)c1ccc([O-])cc1[n+]2=O	ZINC000368066094	390480005	/nfs/dbraw/zinc/48/00/05/390480005.db2.gz	BGTXJMWCHAMRLX-UHFFFAOYSA-O	1	0	257.225	1.464	40	5		CDBBRO
C[C@@H]([NH3+])c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000095534665	278319223	/nfs/dbraw/zinc/31/92/23/278319223.db2.gz	TWIUVLXIMLXONJ-SSDOTTSWSA-N	1	0	263.257	1.312	40	5		CDBBRO
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(CCC[N+](C)(C)C)C2=O	ZINC000001694696	281450801	/nfs/dbraw/zinc/45/08/01/281450801.db2.gz	LVXBKXCSVKURTI-WBMJQRKESA-N	1	0	281.420	1.894	40	5		CDBBRO
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N+]1(C)C	ZINC001740816775	1184525844	/nfs/dbraw/zinc/52/58/44/1184525844.db2.gz	UQJKDFDWVVCCPW-LLVKDONJSA-N	1	0	250.322	1.880	40	5		CDBBRO
c1sc2ccccc2c1C[N+]12CN3CN(CN(C3)C1)C2	ZINC000019324724	296651660	/nfs/dbraw/zinc/65/16/60/296651660.db2.gz	HZDXZDCHQCQURR-UHFFFAOYSA-N	1	0	287.412	1.910	40	5		CDBBRO
C[N+]1([C@H]2CC[C@H]3CCC[C@@H]2C32OCCO2)CCOCC1	ZINC000004831208	170025596	/nfs/dbraw/zinc/02/55/96/170025596.db2.gz	VRVCNBSRFRKSAW-ILXRZTDVSA-N	1	0	282.404	1.785	40	5		CDBBRO
O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CC[NH2+]CC1	ZINC000032048700	375868719	/nfs/dbraw/zinc/86/87/19/375868719.db2.gz	PINNDARXYRTTFA-UHFFFAOYSA-N	1	0	269.688	1.294	40	5		CDBBRO
O=C1CC2(CC[NH2+]CC2)Oc2c1cccc2[N+](=O)[O-]	ZINC000228962760	284782356	/nfs/dbraw/zinc/78/23/56/284782356.db2.gz	DVZWZZTVHJZKEZ-UHFFFAOYSA-N	1	0	262.265	1.682	40	5		CDBBRO
COc1cc(N2CCC(C[NH3+])CC2)ccc1[N+](=O)[O-]	ZINC000095071583	536823475	/nfs/dbraw/zinc/82/34/75/536823475.db2.gz	NTMUEXGHBCTBGJ-UHFFFAOYSA-N	1	0	265.313	1.779	40	5		CDBBRO
Cc1c(CC(=O)N2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-]	ZINC000159183045	237146879	/nfs/dbraw/zinc/14/68/79/237146879.db2.gz	OVEIWVFRRSWNIF-UHFFFAOYSA-N	1	0	291.351	1.610	40	5		CDBBRO
CC(C)[C@H]([NH3+])C(=O)NCc1ccc([N+](=O)[O-])cc1	ZINC000037668459	369783327	/nfs/dbraw/zinc/78/33/27/369783327.db2.gz	KRDOWGYUBNAGFF-NSHDSACASA-N	1	0	251.286	1.194	40	5		CDBBRO
CC(C)C[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001710398	169747745	/nfs/dbraw/zinc/74/77/45/169747745.db2.gz	JRMGHFZZUAOBNX-UHFFFAOYSA-N	1	0	266.297	1.997	40	5		CDBBRO
[NH3+][C@H]1CC[C@@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@@H]12	ZINC000195562267	295341517	/nfs/dbraw/zinc/34/15/17/295341517.db2.gz	HEDFEIAKBWDXRK-JLLWLGSASA-N	1	0	275.308	1.404	40	5		CDBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCC[N@H+](C)C1	ZINC000216908408	375506550	/nfs/dbraw/zinc/50/65/50/375506550.db2.gz	GFIHNPHYBKEKBI-JTQLQIEISA-N	1	0	293.323	1.884	40	5		CDBBRO
C[NH+]1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000174357797	379461124	/nfs/dbraw/zinc/46/11/24/379461124.db2.gz	SCRFJYDJLDSBFD-UHFFFAOYSA-N	1	0	263.297	1.875	40	5		CDBBRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(NC)c([N+](=O)[O-])c1	ZINC000005479493	170103349	/nfs/dbraw/zinc/10/33/49/170103349.db2.gz	UEBWOKUSTFIFOC-UHFFFAOYSA-N	1	0	288.311	1.820	40	5		CDBBRO
C[NH+](C)CCCNC(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000005508980	170105725	/nfs/dbraw/zinc/10/57/25/170105725.db2.gz	YCOQTLCDVHZYKJ-UHFFFAOYSA-N	1	0	285.731	1.930	40	5		CDBBRO
C[NH+](C)CCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000005509024	170105938	/nfs/dbraw/zinc/10/59/38/170105938.db2.gz	AZIJIMXKDWHKKO-UHFFFAOYSA-N	1	0	271.704	1.540	40	5		CDBBRO
C[N@+]12CCCC[C@H]1[C@H](CON1C(=O)CCC1=O)CCC2	ZINC000254498728	342434266	/nfs/dbraw/zinc/43/42/66/342434266.db2.gz	QQJOVQVFUJPRNJ-GDZNZVCISA-N	1	0	281.376	1.476	40	5		CDBBRO
C[N@@H+]1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000216782570	375476315	/nfs/dbraw/zinc/47/63/15/375476315.db2.gz	YCDQPHNNYBJLEN-SNVBAGLBSA-N	1	0	263.297	1.875	40	5		CDBBRO
O=[N+]([O-])c1ccc(NCC[NH2+][C@@H]2CN3CCC2CC3)cc1	ZINC000010012471	170394869	/nfs/dbraw/zinc/39/48/69/170394869.db2.gz	HTBBILDBQULJJX-OAHLLOKOSA-N	1	0	290.367	1.691	40	5		CDBBRO
Cn1n[n+](Cc2ccc([N+](=O)[O-])cc2)c2ccccc21	ZINC000000362847	169617869	/nfs/dbraw/zinc/61/78/69/169617869.db2.gz	HPTDPQAYVARMPZ-UHFFFAOYSA-N	1	0	269.284	1.817	40	5		CDBBRO
COC(=O)[C@H]1C[N@H+](C)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000252516214	391909217	/nfs/dbraw/zinc/90/92/17/391909217.db2.gz	QNTOCBMKRBNBKQ-RYUDHWBXSA-N	1	0	264.281	1.413	40	5		CDBBRO
C[N+]12CCCC[C@@H]1[C@H](CN1C(=O)CCCC1=O)CCC2	ZINC000006519812	278573207	/nfs/dbraw/zinc/57/32/07/278573207.db2.gz	PCIBTTYAMSQPQR-BWLUYJDISA-N	1	0	279.404	1.935	40	5		CDBBRO
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)C[NH3+]	ZINC000079420854	374405012	/nfs/dbraw/zinc/40/50/12/374405012.db2.gz	GSBIEVIHEOJTPM-UHFFFAOYSA-N	1	0	251.286	1.291	40	5		CDBBRO
CCc1[nH+]c(N)nc(N)c1-c1ccc([N+](=O)[O-])cc1	ZINC000001588895	391048472	/nfs/dbraw/zinc/04/84/72/391048472.db2.gz	MABNISKVRMEKMS-UHFFFAOYSA-N	1	0	259.269	1.779	40	5		CDBBRO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2N)CC1	ZINC000052840082	535748504	/nfs/dbraw/zinc/74/85/04/535748504.db2.gz	YPPYKKVXBCPRAX-UHFFFAOYSA-N	1	0	250.302	1.319	40	5		CDBBRO
C[n+]1c2ccccc2nc2ccc(NCCO)cc21	ZINC000005022835	170057340	/nfs/dbraw/zinc/05/73/40/170057340.db2.gz	UFFSSWFJZSCGMP-UHFFFAOYSA-O	1	0	254.313	1.617	40	5		CDBBRO
[NH3+]CCCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005338035	170087229	/nfs/dbraw/zinc/08/72/29/170087229.db2.gz	FZKYHBHEFTUPGH-UHFFFAOYSA-N	1	0	254.246	1.654	40	5		CDBBRO
CCCN(C(=O)c1ccc([N+](=O)[O-])s1)[C@@H]1CC[NH2+]C1	ZINC000071330187	176124174	/nfs/dbraw/zinc/12/41/74/176124174.db2.gz	RHXFFIUAOOVKOF-SECBINFHSA-N	1	0	283.353	1.870	40	5		CDBBRO
CCC[N+](C)(C)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352023	276054210	/nfs/dbraw/zinc/05/42/10/276054210.db2.gz	HZZUTTDRMYIDDZ-BJJPWKGXSA-N	1	0	296.387	1.214	40	5		CDBBRO
COc1cc(N2CC[NH2+]C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000091356011	277826357	/nfs/dbraw/zinc/82/63/57/277826357.db2.gz	KDXPBEPJFGKOLA-SECBINFHSA-N	1	0	251.286	1.402	40	5		CDBBRO
Cc1cc(NC(=O)N(C)CC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000153853034	188108233	/nfs/dbraw/zinc/10/82/33/188108233.db2.gz	XDUPLHFMXYFRLT-UHFFFAOYSA-N	1	0	280.328	1.929	40	5		CDBBRO
C[N@@H+]1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C1	ZINC000216782620	375476514	/nfs/dbraw/zinc/47/65/14/375476514.db2.gz	YCDQPHNNYBJLEN-JTQLQIEISA-N	1	0	263.297	1.875	40	5		CDBBRO
CC(C)[NH2+]CCOC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001716459	370788692	/nfs/dbraw/zinc/78/86/92/370788692.db2.gz	MFBDVINKPXUESO-UHFFFAOYSA-N	1	0	252.270	1.750	40	5		CDBBRO
O=[N+]([O-])c1cccc(C[NH2+]CCN2CCOCC2)c1	ZINC000016399848	230371565	/nfs/dbraw/zinc/37/15/65/230371565.db2.gz	YDHYFHGSWVBLTJ-UHFFFAOYSA-N	1	0	265.313	1.017	40	5		CDBBRO
O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCC[NH2+]CC1	ZINC000035099104	275011207	/nfs/dbraw/zinc/01/12/07/275011207.db2.gz	AOHBKJMNWNIZLB-UHFFFAOYSA-N	1	0	283.715	1.684	40	5		CDBBRO
O=c1[nH]c2cc([N+](=O)[O-])ccc2n1C1CC[NH2+]CC1	ZINC000022015799	275042407	/nfs/dbraw/zinc/04/24/07/275042407.db2.gz	JMUMSKCLXTUUPP-UHFFFAOYSA-N	1	0	262.269	1.162	40	5		CDBBRO
CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1	ZINC000045726795	348739982	/nfs/dbraw/zinc/73/99/82/348739982.db2.gz	DYEVTGKLDGTXHC-UHFFFAOYSA-N	1	0	250.302	1.520	40	5		CDBBRO
CC[N+]1(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000004029888	184529493	/nfs/dbraw/zinc/52/94/93/184529493.db2.gz	QIVWXVZLBPQWKQ-BQTFKFHJSA-N	1	0	296.387	1.335	40	5		CDBBRO
Cc1ccc(C(=O)NCCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000005547415	170111469	/nfs/dbraw/zinc/11/14/69/170111469.db2.gz	LQPBEKRWEZQESR-UHFFFAOYSA-N	1	0	265.313	1.585	40	5		CDBBRO
CC[N+](C)(CC)CCNC(=O)c1ccccc1N	ZINC000002039126	355958272	/nfs/dbraw/zinc/95/82/72/355958272.db2.gz	PPYRIHLUKWMQQU-UHFFFAOYSA-O	1	0	250.366	1.485	40	5		CDBBRO
CC[N@H+](CCO)CCC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000001718689	370786621	/nfs/dbraw/zinc/78/66/21/370786621.db2.gz	VDBGYHFTBJIYIR-UHFFFAOYSA-N	1	0	266.297	1.482	40	5		CDBBRO
Cc1c(CCO)sc[n+]1Cc1ccccc1[N+](=O)[O-]	ZINC000001703841	169745669	/nfs/dbraw/zinc/74/56/69/169745669.db2.gz	WAILYTOKQIBJLU-UHFFFAOYSA-N	1	0	279.341	1.835	40	5		CDBBRO
CC[NH+](CC)C[C@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000002781227	169829894	/nfs/dbraw/zinc/82/98/94/169829894.db2.gz	HHGUJWKLGXDIEV-VIFPVBQESA-N	1	0	297.359	1.097	40	5		CDBBRO
CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C(=O)[C@H](C)[NH3+]	ZINC000079420950	374405213	/nfs/dbraw/zinc/40/52/13/374405213.db2.gz	BNQPIZYSSXVRFY-JTQLQIEISA-N	1	0	265.313	1.679	40	5		CDBBRO
CC[N+](C)(CC)CCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352050	281354225	/nfs/dbraw/zinc/35/42/25/281354225.db2.gz	VAWLLNDWJKBKHF-BJJPWKGXSA-N	1	0	296.387	1.214	40	5		CDBBRO
CCNC(=[NH2+])c1cc([N+](=O)[O-])cc(Br)c1N	ZINC000228969801	521731416	/nfs/dbraw/zinc/73/14/16/521731416.db2.gz	QXTKVVCQNKMBHG-UHFFFAOYSA-N	1	0	287.117	1.874	40	5		CDBBRO
CC(C)[C@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000095534772	185008541	/nfs/dbraw/zinc/00/85/41/185008541.db2.gz	HFMPIUWPCCFICY-LBPRGKRZSA-N	1	0	275.312	1.960	40	5		CDBBRO
O=[N+]([O-])c1ccc(C[NH2+]CCN2CCOCC2)cc1	ZINC000016401565	285114485	/nfs/dbraw/zinc/11/44/85/285114485.db2.gz	SJSINZCRZJDBOQ-UHFFFAOYSA-N	1	0	265.313	1.017	40	5		CDBBRO
C[C@H]([NH3+])C(=O)N(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000079420972	374405644	/nfs/dbraw/zinc/40/56/44/374405644.db2.gz	YLFFAFXWQSIQDR-VIFPVBQESA-N	1	0	263.297	1.433	40	5		CDBBRO
O=[N+]([O-])c1ccc(N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1	ZINC000078405061	285128374	/nfs/dbraw/zinc/12/83/74/285128374.db2.gz	CQLFBFFUMWZZPH-ZDUSSCGKSA-N	1	0	291.351	1.753	40	5		CDBBRO
COCC(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@@H]12	ZINC000247663613	342234940	/nfs/dbraw/zinc/23/49/40/342234940.db2.gz	UYWJKUXCVQQSMS-YDHLFZDLSA-N	1	0	256.366	1.585	40	5	biogenic,in-vitro	CDBBRO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCC(CO)CC1	ZINC000225246333	373763374	/nfs/dbraw/zinc/76/33/74/373763374.db2.gz	VKDYZNSMFRJWTA-UHFFFAOYSA-N	1	0	279.300	1.041	40	5		CDBBRO
COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000217669856	375699479	/nfs/dbraw/zinc/69/94/79/375699479.db2.gz	IWSRWSNGUTXQKM-NEPJUHHUSA-N	1	0	264.281	1.413	40	5		CDBBRO
CCc1[nH+]c(N)nc(N)c1-c1ccc(OC)c([N+](=O)[O-])c1	ZINC000001588898	169720037	/nfs/dbraw/zinc/72/00/37/169720037.db2.gz	ATKMTZQADBPXRV-UHFFFAOYSA-N	1	0	289.295	1.787	40	5		CDBBRO
COc1cc(N2CCC([NH3+])CC2)ccc1[N+](=O)[O-]	ZINC000091356023	536823812	/nfs/dbraw/zinc/82/38/12/536823812.db2.gz	IQYOUFRJTVOYIR-UHFFFAOYSA-N	1	0	251.286	1.531	40	5		CDBBRO
Cc1nc2ccccc2cc1C[N+]12CN3CN(CN(C3)C1)C2	ZINC000019322692	356480636	/nfs/dbraw/zinc/48/06/36/356480636.db2.gz	WUDDCJVFMGUJAJ-UHFFFAOYSA-N	1	0	296.398	1.552	40	5	in-vitro	CDBBRO
C[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000004859549	359674988	/nfs/dbraw/zinc/67/49/88/359674988.db2.gz	XQXPZDHKPOYYQF-UHFFFAOYSA-N	1	0	280.284	1.645	40	5		CDBBRO
O=[N+]([O-])c1ccccc1N1CC[C@H](C[NH+]2CCOCC2)C1	ZINC000078404174	177338531	/nfs/dbraw/zinc/33/85/31/177338531.db2.gz	XUXAQUOFMIDYMB-CYBMUJFWSA-N	1	0	291.351	1.753	40	5		CDBBRO
C[NH+](C)CCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000005342158	170087850	/nfs/dbraw/zinc/08/78/50/170087850.db2.gz	RGVAUVUTDNAAJN-BQYQJAHWSA-N	1	0	277.324	1.676	40	5		CDBBRO
C[C@H]1CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1	ZINC000067799238	358560284	/nfs/dbraw/zinc/56/02/84/358560284.db2.gz	GDLFHXXLAOQHDT-QMMMGPOBSA-N	1	0	283.715	1.682	40	5		CDBBRO
CC[C@H](C)[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000002679916	375294380	/nfs/dbraw/zinc/29/43/80/375294380.db2.gz	SMKPDKOHESNKGI-CMPLNLGQSA-N	1	0	268.313	1.723	40	5		CDBBRO
CC[N+](C)(CC)CCn1ncc2ccccc2c1=O	ZINC000005469385	170102262	/nfs/dbraw/zinc/10/22/62/170102262.db2.gz	ZKNUPLRDGCECNS-UHFFFAOYSA-N	1	0	260.361	1.883	40	5		CDBBRO
C[N+]1(CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)CCCCC1	ZINC000004184651	274654771	/nfs/dbraw/zinc/65/47/71/274654771.db2.gz	KACLEKGODJDZPY-CRWXNKLISA-N	1	0	275.372	1.382	40	5		CDBBRO
Fc1cccc(Cl)c1C[N+]12CN3CN(CN(C3)C1)C2	ZINC000019321109	356480598	/nfs/dbraw/zinc/48/05/98/356480598.db2.gz	IEXZCLKEXDFVKU-UHFFFAOYSA-N	1	0	283.758	1.488	40	5		CDBBRO
C[N+]1([C@@H]2CC[C@H]3CCC[C@@H]2C32OCCO2)CCOCC1	ZINC000000402409	364189366	/nfs/dbraw/zinc/18/93/66/364189366.db2.gz	VRVCNBSRFRKSAW-QLFBSQMISA-N	1	0	282.404	1.785	40	5		CDBBRO
CCn1c2ccccc2c(=O)n1CCC[N+](C)(C)C	ZINC000005508796	170105563	/nfs/dbraw/zinc/10/55/63/170105563.db2.gz	OTVFNMGFZKDJED-UHFFFAOYSA-N	1	0	262.377	1.919	40	5		CDBBRO
CC[C@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000002679918	375294352	/nfs/dbraw/zinc/29/43/52/375294352.db2.gz	QJKOJNFYUVMMIU-QWRGUYRKSA-N	1	0	268.313	1.723	40	5		CDBBRO
N=C(NC(N)=[NH2+])Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000004280783	360787767	/nfs/dbraw/zinc/78/77/67/360787767.db2.gz	OMNGXFHABAOJMD-UHFFFAOYSA-N	1	0	256.653	1.078	40	5		CDBBRO
CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1	ZINC000070461619	374662067	/nfs/dbraw/zinc/66/20/67/374662067.db2.gz	WWGSNUPSNSBSFZ-UHFFFAOYSA-N	1	0	293.323	1.571	40	5		CDBBRO
CCOC(=O)c1cc([N+](=O)[O-])ccc1N1CC[NH2+]CC1	ZINC000070461618	374662481	/nfs/dbraw/zinc/66/24/81/374662481.db2.gz	AORARMKOMAPVOA-UHFFFAOYSA-N	1	0	279.296	1.181	40	5		CDBBRO
O=[N+]([O-])c1ccc(NCC[NH2+][C@H]2CN3CCC2CC3)cc1	ZINC000010012473	170395000	/nfs/dbraw/zinc/39/50/00/170395000.db2.gz	HTBBILDBQULJJX-HNNXBMFYSA-N	1	0	290.367	1.691	40	5		CDBBRO
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@@H]([NH3+])C(C)C	ZINC000079421020	177487979	/nfs/dbraw/zinc/48/79/79/177487979.db2.gz	GCXSEUSAJIXIDP-ZDUSSCGKSA-N	1	0	279.340	1.927	40	5		CDBBRO
O=[N+]([O-])c1cccc(C[NH2+]CCCN2CCOCC2)c1	ZINC000008728609	170350167	/nfs/dbraw/zinc/35/01/67/170350167.db2.gz	NOFNZRAHRXIFJB-UHFFFAOYSA-N	1	0	279.340	1.407	40	5		CDBBRO
[NH3+]CC(=O)Nc1ccc([N+](=O)[O-])cc1Br	ZINC000008569609	391959363	/nfs/dbraw/zinc/95/93/63/391959363.db2.gz	SOWKEQWJSBZMFB-UHFFFAOYSA-N	1	0	274.074	1.255	40	5		CDBBRO
CC(C)[C@@H]([NH3+])C(=O)OCc1ccc([N+](=O)[O-])cc1	ZINC000034426357	392014182	/nfs/dbraw/zinc/01/41/82/392014182.db2.gz	USBVDPVTFGLYPZ-LLVKDONJSA-N	1	0	252.270	1.621	40	5		CDBBRO
C[C@@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000054370001	278837692	/nfs/dbraw/zinc/83/76/92/278837692.db2.gz	GZQMNMLOZUVAJN-MRVPVSSYSA-N	1	0	283.715	1.682	40	5		CDBBRO
C[N@+]12CCCC[C@@H]1[C@H](N1C(=O)CCC1=O)CCC2	ZINC000247651146	342234750	/nfs/dbraw/zinc/23/47/50/342234750.db2.gz	MYYOGQZKFKTQSS-XHBSWPGZSA-N	1	0	251.350	1.297	40	5	biogenic,in-vitro	CDBBRO
O=C(NCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000000027770	357611159	/nfs/dbraw/zinc/61/11/59/357611159.db2.gz	JYUGQEGFWUCBFX-UHFFFAOYSA-N	1	0	277.324	1.811	40	5		CDBBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC[C@@H](CO)C1	ZINC000225238090	373761726	/nfs/dbraw/zinc/76/17/26/373761726.db2.gz	VITRRSJRKUMNET-SECBINFHSA-N	1	0	279.300	1.041	40	5		CDBBRO
C[NH+]1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000101986284	358867046	/nfs/dbraw/zinc/86/70/46/358867046.db2.gz	DKAHWYVKZRDCQL-AATRIKPKSA-N	1	0	289.335	1.818	40	5		CDBBRO
C[NH+](C)CCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1	ZINC000003069576	375527820	/nfs/dbraw/zinc/52/78/20/375527820.db2.gz	MAKANEYAGOZLAG-VOTSOKGWSA-N	1	0	263.297	1.286	40	5		CDBBRO
COc1cc(CC[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000001563575	355940166	/nfs/dbraw/zinc/94/01/66/355940166.db2.gz	AGJIISHBPPNMSE-UHFFFAOYSA-N	1	0	254.286	1.716	40	5		CDBBRO
COC(=O)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000000157933	359152154	/nfs/dbraw/zinc/15/21/54/359152154.db2.gz	BZRUJPHNGAAFPG-UHFFFAOYSA-N	1	0	273.268	1.717	40	5		CDBBRO
[NH2+]=C(Nc1ncccc1[N+](=O)[O-])N1CCC[C@@H](CO)C1	ZINC000225244907	359564662	/nfs/dbraw/zinc/56/46/62/359564662.db2.gz	SLVIIRJEMSMGFM-SECBINFHSA-N	1	0	279.300	1.041	40	5		CDBBRO
C[C@@H](CO)[NH2+]CCNc1ccc([N+](=O)[O-])c2cccnc12	ZINC000005043947	170060347	/nfs/dbraw/zinc/06/03/47/170060347.db2.gz	QBSBAFLTLGJTDU-JTQLQIEISA-N	1	0	290.323	1.525	40	5		CDBBRO
O=c1[nH]c2ccc([N+](=O)[O-])cc2n1C1CC[NH2+]CC1	ZINC000022015789	275042389	/nfs/dbraw/zinc/04/23/89/275042389.db2.gz	SGCYJJFYPWDRIZ-UHFFFAOYSA-N	1	0	262.269	1.162	40	5		CDBBRO
C[N@+]12CCCC[C@H]1[C@H](N1C(=O)CCCC1=O)CCC2	ZINC000247644239	342234566	/nfs/dbraw/zinc/23/45/66/342234566.db2.gz	JBUTUZWQGOBNHH-IIYDPXPESA-N	1	0	265.377	1.687	40	5	biogenic,in-vitro	CDBBRO
CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000002679915	375294197	/nfs/dbraw/zinc/29/41/97/375294197.db2.gz	SMKPDKOHESNKGI-ZYHUDNBSSA-N	1	0	268.313	1.723	40	5		CDBBRO
COCC(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@@H]12	ZINC000247663609	342234953	/nfs/dbraw/zinc/23/49/53/342234953.db2.gz	UYWJKUXCVQQSMS-KCQAQPDRSA-N	1	0	256.366	1.585	40	5	biogenic,in-vitro	CDBBRO
CCOC(=O)C1=C(C)NC(=[NH2+])N[C@H]1c1ccc([N+](=O)[O-])o1	ZINC000107960565	348741552	/nfs/dbraw/zinc/74/15/52/348741552.db2.gz	HOSDWYPRQUNXAF-JTQLQIEISA-N	1	0	294.267	1.194	40	5		CDBBRO
COc1cc(C(=O)OCC[N+](C)(C)C)cc(OC)c1OC	ZINC000001628278	355943335	/nfs/dbraw/zinc/94/33/35/355943335.db2.gz	UDEZXIFBVOWKJP-UHFFFAOYSA-N	1	0	298.359	1.575	40	5		CDBBRO
CC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2OC)CC1	ZINC000045886014	360034309	/nfs/dbraw/zinc/03/43/09/360034309.db2.gz	KLIBQXRFLAZEMM-UHFFFAOYSA-N	1	0	265.313	1.745	40	5		CDBBRO
O=C(Cc1ccccc1[N+](=O)[O-])NCCC[NH+]1CCCC1	ZINC000010450024	374367986	/nfs/dbraw/zinc/36/79/86/374367986.db2.gz	GDYMLSQYRAFKKW-UHFFFAOYSA-N	1	0	291.351	1.739	40	5		CDBBRO
C[NH+](C)CCCNC(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000006605647	170218364	/nfs/dbraw/zinc/21/83/64/170218364.db2.gz	NXHYIPVLKRFUHC-UHFFFAOYSA-N	1	0	265.313	1.205	40	5		CDBBRO
CC(C)[C@@H]([NH3+])c1nc(Cc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000095534773	185007795	/nfs/dbraw/zinc/00/77/95/185007795.db2.gz	HFMPIUWPCCFICY-GFCCVEGCSA-N	1	0	275.312	1.960	40	5		CDBBRO
C[NH+](C)CCNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1	ZINC000013632083	170570527	/nfs/dbraw/zinc/57/05/27/170570527.db2.gz	OUOWDKVVYFXSRB-VMPITWQZSA-N	1	0	263.297	1.286	40	5		CDBBRO
O=[N+]([O-])c1cnc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc1	ZINC000160454320	275040872	/nfs/dbraw/zinc/04/08/72/275040872.db2.gz	UOVVKOQAEOXAEC-GFCCVEGCSA-N	1	0	291.355	1.840	40	5		CDBBRO
C[C@@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000054375297	278838586	/nfs/dbraw/zinc/83/85/86/278838586.db2.gz	IORQFQFFZQLXIQ-MRVPVSSYSA-N	1	0	266.257	1.301	40	5		CDBBRO
O=[N+]([O-])c1ccc(SC2=[NH+]CCN2)c2nonc21	ZINC000006224734	534974102	/nfs/dbraw/zinc/97/41/02/534974102.db2.gz	GGKMNQIRKMCZSC-UHFFFAOYSA-N	1	0	265.254	1.182	40	5		CDBBRO
C[C@H]([NH3+])c1nc(COc2cccc([N+](=O)[O-])c2)n[nH]1	ZINC000095534670	185005862	/nfs/dbraw/zinc/00/58/62/185005862.db2.gz	WRNFVKDXGRZFIG-ZETCQYMHSA-N	1	0	263.257	1.312	40	5		CDBBRO
C[C@H]([NH3+])c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000095534664	185006868	/nfs/dbraw/zinc/00/68/68/185006868.db2.gz	TWIUVLXIMLXONJ-ZETCQYMHSA-N	1	0	263.257	1.312	40	5		CDBBRO
[NH3+]C1CCN(C(=O)CCc2cccc([N+](=O)[O-])c2)CC1	ZINC000157583272	188325724	/nfs/dbraw/zinc/32/57/24/188325724.db2.gz	LEGVBGYYIQRYHS-UHFFFAOYSA-N	1	0	277.324	1.477	40	5		CDBBRO
O=[N+]([O-])c1ccc(N[C@@H]2CCN(Cc3ccon3)C2)nc1	ZINC000072665345	357386322	/nfs/dbraw/zinc/38/63/22/357386322.db2.gz	NQPAFOYTBXDCRV-SNVBAGLBSA-N	1	0	289.295	1.664	40	5		CDBBRO
O=C(NCC[NH2+]C1CC1)c1cc(Cl)ccc1[N+](=O)[O-]	ZINC000054265664	360094939	/nfs/dbraw/zinc/09/49/39/360094939.db2.gz	KXFTYNPKIDVMNV-UHFFFAOYSA-N	1	0	283.715	1.730	40	5		CDBBRO
[NH2+]=C(Nc1ccc([N+](=O)[O-])cn1)N1CCC(CO)CC1	ZINC000225239592	373760908	/nfs/dbraw/zinc/76/09/08/373760908.db2.gz	OBCZVORXCSGOEU-UHFFFAOYSA-N	1	0	279.300	1.041	40	5		CDBBRO
CC1=C[C@@H](C)[C@H]2C(=O)N(CCC[N+](C)(C)C)C(=O)[C@@H]2C1	ZINC000018061786	356466763	/nfs/dbraw/zinc/46/67/63/356466763.db2.gz	GOEBHGSAJXXUNJ-MGPQQGTHSA-N	1	0	279.404	1.670	40	5		CDBBRO
Cc1ccc(CN2C[C@H]3C[NH+](C)C[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000063527662	364783558	/nfs/dbraw/zinc/78/35/58/364783558.db2.gz	SYQSMGURBYNROC-ZIAGYGMSSA-N	1	0	275.352	1.897	40	5		CDBBRO
C[C@@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000158130066	188358479	/nfs/dbraw/zinc/35/84/79/188358479.db2.gz	OSTWPHZYQKBOAG-SECBINFHSA-N	1	0	263.297	1.433	40	5		CDBBRO
C[C@H]1C[NH2+]CCN1C(=O)c1cc([N+](=O)[O-])ccc1Cl	ZINC000054370003	391841415	/nfs/dbraw/zinc/84/14/15/391841415.db2.gz	GZQMNMLOZUVAJN-QMMMGPOBSA-N	1	0	283.715	1.682	40	5		CDBBRO
O=C(Cc1ccccc1[N+](=O)[O-])NCC[NH+]1CCCCC1	ZINC000008051585	348733213	/nfs/dbraw/zinc/73/32/13/348733213.db2.gz	FSUBSZBDWQZTHS-UHFFFAOYSA-N	1	0	291.351	1.739	40	5		CDBBRO
NC(=[NH2+])SCc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000016983013	390221371	/nfs/dbraw/zinc/22/13/71/390221371.db2.gz	RWZYYSQCTGWLKV-UHFFFAOYSA-N	1	0	256.243	1.630	40	5		CDBBRO
C[NH+]1CCC(O)(CNc2ccc(F)cc2[N+](=O)[O-])CC1	ZINC000077230903	177236846	/nfs/dbraw/zinc/23/68/46/177236846.db2.gz	FFHPUBYACMCNSC-UHFFFAOYSA-N	1	0	283.303	1.603	40	5		CDBBRO
CCOC(=O)C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000004028477	279520454	/nfs/dbraw/zinc/52/04/54/279520454.db2.gz	JPHOAYNPGBNGHY-FTLRAWMYSA-N	1	0	284.376	1.502	40	5		CDBBRO
NC(=O)c1cc[n+](Cc2ccc([N+](=O)[O-])cc2)cc1	ZINC000000362611	359589780	/nfs/dbraw/zinc/58/97/80/359589780.db2.gz	VPVJPEZVTPQZSX-UHFFFAOYSA-O	1	0	258.257	1.030	40	5		CDBBRO
C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	ZINC000035047796	364823569	/nfs/dbraw/zinc/82/35/69/364823569.db2.gz	MHXABWHZUNMEOR-LBPRGKRZSA-N	1	0	284.337	1.262	40	5		CDBBRO
CC(C)N(Cc1cccc([N+](=O)[O-])c1)C(=O)C[NH3+]	ZINC000079420858	374405409	/nfs/dbraw/zinc/40/54/09/374405409.db2.gz	COWXTTRMKRTODG-UHFFFAOYSA-N	1	0	251.286	1.291	40	5		CDBBRO
CC[C@H](C)[NH2+]C[C@H](O)COc1ccc([N+](=O)[O-])cc1	ZINC000002679914	375293455	/nfs/dbraw/zinc/29/34/55/375293455.db2.gz	SMKPDKOHESNKGI-JQWIXIFHSA-N	1	0	268.313	1.723	40	5		CDBBRO
CC[NH+]1CCN(c2ccc(N)cc2[N+](=O)[O-])CC1	ZINC000071572167	276203275	/nfs/dbraw/zinc/20/32/75/276203275.db2.gz	JGXGVTLTFVHDSZ-UHFFFAOYSA-N	1	0	250.302	1.319	40	5		CDBBRO
CC(C)[C@@H]([NH3+])c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000095534753	185008154	/nfs/dbraw/zinc/00/81/54/185008154.db2.gz	QHWMJNLAAGEFDI-GFCCVEGCSA-N	1	0	291.311	1.948	40	5		CDBBRO
C[N@+]12CCCC[C@@H]1[C@@H](N1C(=O)CCCC1=O)CCC2	ZINC000247644244	342234572	/nfs/dbraw/zinc/23/45/72/342234572.db2.gz	JBUTUZWQGOBNHH-OGHNNQOOSA-N	1	0	265.377	1.687	40	5	biogenic,in-vitro	CDBBRO
CC[N+](C)(CC)CCN1C(=O)c2ccccc2C1=O	ZINC000005469299	170102530	/nfs/dbraw/zinc/10/25/30/170102530.db2.gz	LKUVKOMCNCAUTE-UHFFFAOYSA-N	1	0	261.345	1.769	40	5		CDBBRO
C[N+]12CCCC[C@H]1[C@H](CN1C(=O)CCCC1=O)CCC2	ZINC000006519815	291447475	/nfs/dbraw/zinc/44/74/75/291447475.db2.gz	PCIBTTYAMSQPQR-QPKCZYJBSA-N	1	0	279.404	1.935	40	5		CDBBRO
C[N+]1(CCCN2CCOCC2)C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1	ZINC000036378843	260036926	/nfs/dbraw/zinc/03/69/26/260036926.db2.gz	XVZLAXSFVMDPLT-NPWSMHQMSA-N	1	0	277.432	1.607	40	5		CDBBRO
Cc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1C	ZINC000019328054	356481328	/nfs/dbraw/zinc/48/13/28/356481328.db2.gz	GSCIVAOVKYAQNV-UHFFFAOYSA-N	1	0	259.377	1.312	40	5		CDBBRO
[NH2+]=C1N=C([O-])C(=Cc2ccccc2[N+](=O)[O-])C(=[NH2+])N1	ZINC000006513694	283269609	/nfs/dbraw/zinc/26/96/09/283269609.db2.gz	LYWADTJFCOIMQC-FNORWQNLSA-N	1	0	259.225	1.240	40	5		CDBBRO
Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC[C@H]1CO	ZINC000072665537	358544820	/nfs/dbraw/zinc/54/48/20/358544820.db2.gz	FVFOYVYFIKHAQJ-LBPRGKRZSA-N	1	0	293.323	1.298	40	5		CDBBRO
O=C(NCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1	ZINC000010450001	374367880	/nfs/dbraw/zinc/36/78/80/374367880.db2.gz	IWOMYBSPYNELCP-UHFFFAOYSA-N	1	0	277.324	1.811	40	5		CDBBRO
NC(=[NH2+])SCC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000004838289	170026878	/nfs/dbraw/zinc/02/68/78/170026878.db2.gz	QCGBISFJAXHGEB-UHFFFAOYSA-N	1	0	254.271	1.160	40	5		CDBBRO
CC[NH+]1CCN(c2cc(N)c([N+](=O)[O-])cc2C)CC1	ZINC000139651006	369392689	/nfs/dbraw/zinc/39/26/89/369392689.db2.gz	OBBIFDGUKHHNHJ-UHFFFAOYSA-N	1	0	264.329	1.627	40	5		CDBBRO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCC[N@H+](C)C1	ZINC000216908379	375506973	/nfs/dbraw/zinc/50/69/73/375506973.db2.gz	GFIHNPHYBKEKBI-SNVBAGLBSA-N	1	0	293.323	1.884	40	5		CDBBRO
COC(=O)c1cc([N+](=O)[O-])ccc1NCC[NH+]1CCCC1	ZINC000058023516	391905907	/nfs/dbraw/zinc/90/59/07/391905907.db2.gz	PNLGMHRLXDZAJR-UHFFFAOYSA-N	1	0	293.323	1.889	40	5		CDBBRO
CC(=O)[C@H]1C[C@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	ZINC000003102260	278237394	/nfs/dbraw/zinc/23/73/94/278237394.db2.gz	HVPHBXGPVVDZRF-ZIAGYGMSSA-N	1	0	281.420	1.546	40	5		CDBBRO
CC1=CC[C@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@@H]2C1	ZINC000104388127	278503631	/nfs/dbraw/zinc/50/36/31/278503631.db2.gz	YXVGUNYRDCAJEU-VXGBXAGGSA-N	1	0	251.350	1.034	40	5		CDBBRO
CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccc([N+](=O)[O-])cc1	ZINC000079420986	374405066	/nfs/dbraw/zinc/40/50/66/374405066.db2.gz	COPPYJRLZBMKHP-LBPRGKRZSA-N	1	0	265.313	1.537	40	5		CDBBRO
CC[N+](C)(CC)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352049	390161865	/nfs/dbraw/zinc/16/18/65/390161865.db2.gz	VAWLLNDWJKBKHF-ITGHMWBKSA-N	1	0	296.387	1.214	40	5		CDBBRO
CC(C)N(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)[NH3+]	ZINC000079420954	374405802	/nfs/dbraw/zinc/40/58/02/374405802.db2.gz	NNGPMDBHQAYAQQ-JTQLQIEISA-N	1	0	265.313	1.679	40	5		CDBBRO
CC(C)[C@H]([NH3+])c1nc(COc2ccc([N+](=O)[O-])cc2)n[nH]1	ZINC000095534752	185006352	/nfs/dbraw/zinc/00/63/52/185006352.db2.gz	QHWMJNLAAGEFDI-LBPRGKRZSA-N	1	0	291.311	1.948	40	5		CDBBRO
C[N@+]12CCCC[C@H]1[C@@H](N1C(=O)CCCC1=O)CCC2	ZINC000247644234	342234648	/nfs/dbraw/zinc/23/46/48/342234648.db2.gz	JBUTUZWQGOBNHH-GDZNZVCISA-N	1	0	265.377	1.687	40	5	biogenic,in-vitro	CDBBRO
CC(C)OCCC[NH2+]Cc1cc([N+](=O)[O-])nn1C	ZINC000408716915	360049281	/nfs/dbraw/zinc/04/92/81/360049281.db2.gz	SPSGJVTZSAAKFZ-UHFFFAOYSA-N	1	0	256.306	1.233	40	5		CDBBRO
CCCOC(=O)c1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000070461620	276018953	/nfs/dbraw/zinc/01/89/53/276018953.db2.gz	BVAGZECANPBFPI-UHFFFAOYSA-N	1	0	293.323	1.571	40	5		CDBBRO
C[N@+]12CCCC[C@@H]1[C@H](CON1C(=O)CCC1=O)CCC2	ZINC000254498736	342434355	/nfs/dbraw/zinc/43/43/55/342434355.db2.gz	QQJOVQVFUJPRNJ-OGHNNQOOSA-N	1	0	281.376	1.476	40	5		CDBBRO
C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000067799781	374431236	/nfs/dbraw/zinc/43/12/36/374431236.db2.gz	BCIQACXVOAPJIA-MRVPVSSYSA-N	1	0	283.715	1.682	40	5		CDBBRO
C[N@+]12CCCC[C@H]1[C@@H](N1C(=O)CCC1=O)CCC2	ZINC000247651143	342234732	/nfs/dbraw/zinc/23/47/32/342234732.db2.gz	MYYOGQZKFKTQSS-MQIPJXDCSA-N	1	0	251.350	1.297	40	5	biogenic,in-vitro	CDBBRO
O=[N+]([O-])c1ccc(-c2nsc(N3CC[NH2+]CC3)n2)cc1	ZINC000216642771	285107752	/nfs/dbraw/zinc/10/77/52/285107752.db2.gz	JMSXPNLWRZDILP-UHFFFAOYSA-N	1	0	291.336	1.523	40	5		CDBBRO
O=[N+]([O-])c1ccc2sc(N[C@H]3CC[NH2+]C3)nc2c1	ZINC000091351689	285152202	/nfs/dbraw/zinc/15/22/02/285152202.db2.gz	SENPJNVYZIFTAG-ZETCQYMHSA-N	1	0	264.310	1.978	40	5		CDBBRO
COC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1cccc([N+](=O)[O-])c1	ZINC000252516213	391909411	/nfs/dbraw/zinc/90/94/11/391909411.db2.gz	QNTOCBMKRBNBKQ-NWDGAFQWSA-N	1	0	264.281	1.413	40	5		CDBBRO
COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@@H](C)[NH3+])n1	ZINC000095534681	185006891	/nfs/dbraw/zinc/00/68/91/185006891.db2.gz	FGGCCKWJXROVIA-ZCFIWIBFSA-N	1	0	263.257	1.408	40	5		CDBBRO
C[C@H]1C[NH2+]CCN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000067799784	374431273	/nfs/dbraw/zinc/43/12/73/374431273.db2.gz	BCIQACXVOAPJIA-QMMMGPOBSA-N	1	0	283.715	1.682	40	5		CDBBRO
[NH3+]CCCn1cc([N+](=O)[O-])c(OCC(F)(F)F)n1	ZINC000408716856	360049526	/nfs/dbraw/zinc/04/95/26/360049526.db2.gz	RWLXBGCINUVZOY-UHFFFAOYSA-N	1	0	268.195	1.081	40	5		CDBBRO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2/C=C/[N+](=O)[O-])CC1	ZINC000409007057	363822701	/nfs/dbraw/zinc/82/27/01/363822701.db2.gz	MPSDWGQSKNCNLO-SNAWJCMRSA-N	1	0	292.295	1.594	40	5		CDBBRO
C[N+]1(CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)CCCCC1	ZINC000004184648	291447323	/nfs/dbraw/zinc/44/73/23/291447323.db2.gz	KACLEKGODJDZPY-KPWCQOOUSA-N	1	0	275.372	1.382	40	5		CDBBRO
CC1=CC[C@@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@@H]2C1	ZINC000005964456	275917411	/nfs/dbraw/zinc/91/74/11/275917411.db2.gz	YXVGUNYRDCAJEU-NWDGAFQWSA-N	1	0	251.350	1.034	40	5		CDBBRO
COC(=O)[C@@H]1C[N@H+](C)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000217669573	375698594	/nfs/dbraw/zinc/69/85/94/375698594.db2.gz	QNTOCBMKRBNBKQ-VXGBXAGGSA-N	1	0	264.281	1.413	40	5		CDBBRO
C[N+]1(C[Si](C)(C)c2ccccc2)CCOCC1	ZINC000195793367	348757787	/nfs/dbraw/zinc/75/77/87/348757787.db2.gz	MFJOHIJNGNFKFI-UHFFFAOYSA-N	1	0	250.438	1.618	40	5		CDBBRO
CC[C@@H](C)[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000002679917	375293432	/nfs/dbraw/zinc/29/34/32/375293432.db2.gz	QJKOJNFYUVMMIU-MNOVXSKESA-N	1	0	268.313	1.723	40	5		CDBBRO
O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](O)C2)cc1	ZINC000004962041	170045599	/nfs/dbraw/zinc/04/55/99/170045599.db2.gz	OQPRWCQYEWZSPX-ZDUSSCGKSA-N	1	0	250.298	1.594	40	5		CDBBRO
Nc1ccc(CO[C@H](O)C[NH+]2CCCCC2)cc1[N+](=O)[O-]	ZINC000005580520	170115855	/nfs/dbraw/zinc/11/58/55/170115855.db2.gz	KTWJSOPCHUCXRY-AWEZNQCLSA-N	1	0	295.339	1.498	40	5		CDBBRO
COC(=O)[C@H]1C[N@H+](C)C[C@@H]1c1cccc([N+](=O)[O-])c1	ZINC000217669655	375698007	/nfs/dbraw/zinc/69/80/07/375698007.db2.gz	QNTOCBMKRBNBKQ-NEPJUHHUSA-N	1	0	264.281	1.413	40	5		CDBBRO
COCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@@H]12	ZINC000005748890	284785989	/nfs/dbraw/zinc/78/59/89/284785989.db2.gz	UYWJKUXCVQQSMS-QNIGDANOSA-N	1	0	256.366	1.585	40	5	biogenic,in-vitro	CDBBRO
Cc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000063527661	364783586	/nfs/dbraw/zinc/78/35/86/364783586.db2.gz	SYQSMGURBYNROC-OKILXGFUSA-N	1	0	275.352	1.897	40	5		CDBBRO
CN(Cc1ccccc1[N+](=O)[O-])C1CCS(=O)CC1	ZINC000081099757	374491628	/nfs/dbraw/zinc/49/16/28/374491628.db2.gz	SEFKSWZQHYNNMC-UHFFFAOYSA-N	1	0	282.365	1.938	40	5		CDBBRO
C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS(=O)(=O)C1	ZINC000035047797	364822800	/nfs/dbraw/zinc/82/28/00/364822800.db2.gz	MHXABWHZUNMEOR-GFCCVEGCSA-N	1	0	284.337	1.262	40	5		CDBBRO
O=[N+]([O-])c1cc(Br)ccc1N1CC[NH2+]CC1	ZINC000019517957	275032923	/nfs/dbraw/zinc/03/29/23/275032923.db2.gz	DYPULFIUZCLZCU-UHFFFAOYSA-N	1	0	286.129	1.767	40	5		CDBBRO
O=[N+]([O-])c1cccc(-c2nsc(N3CC[NH2+]CC3)n2)c1	ZINC000216643138	356247794	/nfs/dbraw/zinc/24/77/94/356247794.db2.gz	BWFSDKRHFDEEGF-UHFFFAOYSA-N	1	0	291.336	1.523	40	5		CDBBRO
CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)C[NH+](CC)CC	ZINC000002781362	169829934	/nfs/dbraw/zinc/82/99/34/169829934.db2.gz	JHSMHKMGQQPKLS-SNVBAGLBSA-N	1	0	297.359	1.271	40	5		CDBBRO
C[NH+](C)CCNc1cc([N+](=O)[O-])ccc1[N+](=O)[O-]	ZINC000004824434	170024585	/nfs/dbraw/zinc/02/45/85/170024585.db2.gz	ITDQARLVGNJIFE-UHFFFAOYSA-N	1	0	254.246	1.477	40	5		CDBBRO
CC[N+](C)(C)CCCOC(=O)[C@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352080	170088570	/nfs/dbraw/zinc/08/85/70/170088570.db2.gz	UAYTZKXVZLOQJE-BJJPWKGXSA-N	1	0	296.387	1.214	40	5		CDBBRO
C[NH+](C)CCCNC(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000005508981	170105830	/nfs/dbraw/zinc/10/58/30/170105830.db2.gz	RSULQWMDGJNNAS-UHFFFAOYSA-N	1	0	285.731	1.930	40	5		CDBBRO
O=[N+]([O-])c1ccccc1N1CC[C@@H](C[NH+]2CCOCC2)C1	ZINC000078404177	177338489	/nfs/dbraw/zinc/33/84/89/177338489.db2.gz	XUXAQUOFMIDYMB-ZDUSSCGKSA-N	1	0	291.351	1.753	40	5		CDBBRO
C[N@+]12CCCC[C@H]1[C@H](N1C(=O)CCC1=O)CCC2	ZINC000247651135	342234734	/nfs/dbraw/zinc/23/47/34/342234734.db2.gz	MYYOGQZKFKTQSS-BFQNTYOBSA-N	1	0	251.350	1.297	40	5	biogenic,in-vitro	CDBBRO
C[C@H]([NH3+])C(=O)N(Cc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000079420971	374803349	/nfs/dbraw/zinc/80/33/49/374803349.db2.gz	OSTWPHZYQKBOAG-VIFPVBQESA-N	1	0	263.297	1.433	40	5		CDBBRO
C[C@H]1C[NH2+]CCN1c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000054375299	391858772	/nfs/dbraw/zinc/85/87/72/391858772.db2.gz	IORQFQFFZQLXIQ-QMMMGPOBSA-N	1	0	266.257	1.301	40	5		CDBBRO
O=[N+]([O-])c1ccc(N2CC[C@H](C[NH+]3CCOCC3)C2)cc1	ZINC000078405058	177338438	/nfs/dbraw/zinc/33/84/38/177338438.db2.gz	CQLFBFFUMWZZPH-CYBMUJFWSA-N	1	0	291.351	1.753	40	5		CDBBRO
CC(=O)[C@@H]1C[C@@H](CC(=O)N2CC[N+](C)(C)CC2)C1(C)C	ZINC000003102259	277095347	/nfs/dbraw/zinc/09/53/47/277095347.db2.gz	HVPHBXGPVVDZRF-KBPBESRZSA-N	1	0	281.420	1.546	40	5		CDBBRO
[NH3+][C@H]1CC[C@H]2CN(C(=O)c3ccccc3[N+](=O)[O-])C[C@H]21	ZINC000195562271	358435393	/nfs/dbraw/zinc/43/53/93/358435393.db2.gz	HEDFEIAKBWDXRK-WCQGTBRESA-N	1	0	275.308	1.404	40	5		CDBBRO
O=[N+]([O-])c1cccc(-c2ccc(N3CC[NH2+]CC3)nn2)c1	ZINC000011567990	374443300	/nfs/dbraw/zinc/44/33/00/374443300.db2.gz	MLGMDDICIVYXHD-UHFFFAOYSA-N	1	0	285.307	1.461	40	5		CDBBRO
CC[N+]1(C)[C@H](C)[C@@H](O)[C@H](O)[C@@H]1c1ccc(OC)c(OC)c1	ZINC000004029887	184529499	/nfs/dbraw/zinc/52/94/99/184529499.db2.gz	QIVWXVZLBPQWKQ-MSFNRJNQSA-N	1	0	296.387	1.335	40	5		CDBBRO
Cc1cc([N+](=O)[O-])c(N)cc1N1CC[NH+](C)CC1	ZINC000216863781	262341442	/nfs/dbraw/zinc/34/14/42/262341442.db2.gz	PFWLVRSDFJSMJU-UHFFFAOYSA-N	1	0	250.302	1.237	40	5		CDBBRO
COc1ccc([N+](=O)[O-])cc1-c1n[nH]c([C@H](C)[NH3+])n1	ZINC000095534680	185006882	/nfs/dbraw/zinc/00/68/82/185006882.db2.gz	FGGCCKWJXROVIA-LURJTMIESA-N	1	0	263.257	1.408	40	5		CDBBRO
C[C@H](O)C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12	ZINC000254321264	344145157	/nfs/dbraw/zinc/14/51/57/344145157.db2.gz	ZSOWTAJVTXSYKL-XPCVCDNBSA-N	1	0	256.366	1.320	40	5		CDBBRO
COc1cc(CC[N+](C)(C)C)cc(OC)c1OC	ZINC000001675110	355946458	/nfs/dbraw/zinc/94/64/58/355946458.db2.gz	OTQYBYBBOHKXGD-UHFFFAOYSA-N	1	0	254.350	1.961	40	5		CDBBRO
CC(C)Cc1ccc(C[N+]23CN4CN(CN(C4)C2)C3)cc1	ZINC000019319536	356481053	/nfs/dbraw/zinc/48/10/53/356481053.db2.gz	YLSLCNJRHMLCEV-UHFFFAOYSA-N	1	0	287.431	1.894	40	5		CDBBRO
O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]1	ZINC000071788269	358870458	/nfs/dbraw/zinc/87/04/58/358870458.db2.gz	QYLKTBGZGZGWHP-NSHDSACASA-N	1	0	250.254	1.390	40	5		CDBBRO
C[C@@H]1CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1	ZINC000071978911	176307947	/nfs/dbraw/zinc/30/79/47/176307947.db2.gz	GIOHDUNRNKYHHW-MRVPVSSYSA-N	1	0	283.715	1.682	40	5		CDBBRO
[NH3+]CCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	ZINC000408716598	534656314	/nfs/dbraw/zinc/65/63/14/534656314.db2.gz	OQBYTTXBNAONPX-UHFFFAOYSA-N	1	0	268.195	1.081	40	5		CDBBRO
COC(=O)CCC(CCC(=O)OC)[N+]1(C)CC=CC1	ZINC000003847340	356011331	/nfs/dbraw/zinc/01/13/31/356011331.db2.gz	HKWDVGCSMSQTIW-UHFFFAOYSA-N	1	0	270.349	1.278	40	5		CDBBRO
COC(=O)CCCCCCC(=O)OCC[N+](C)(C)C	ZINC000004977181	170048098	/nfs/dbraw/zinc/04/80/98/170048098.db2.gz	MXWVUFLVVAURMX-UHFFFAOYSA-N	1	0	274.381	1.749	40	5		CDBBRO
C[N@+]12CCCC[C@@H]1[C@@H](N1C(=O)CCC1=O)CCC2	ZINC000247651139	342234701	/nfs/dbraw/zinc/23/47/01/342234701.db2.gz	MYYOGQZKFKTQSS-HWWQOWPSSA-N	1	0	251.350	1.297	40	5	biogenic,in-vitro	CDBBRO
CC[NH+](CC)C[C@@H](C)NC(=O)c1c([N+](=O)[O-])c(C)nn1C	ZINC000002781226	375325781	/nfs/dbraw/zinc/32/57/81/375325781.db2.gz	HHGUJWKLGXDIEV-SECBINFHSA-N	1	0	297.359	1.097	40	5		CDBBRO
CCn1cc([N+](=O)[O-])c(C(=O)N[C@H](C)C[NH+](CC)CC)n1	ZINC000002781819	375326070	/nfs/dbraw/zinc/32/60/70/375326070.db2.gz	YHGRYNCSPJTRFW-SNVBAGLBSA-N	1	0	297.359	1.271	40	5		CDBBRO
COc1ccc(NC(=O)CN(C)C)c([N+](=O)[O-])c1	ZINC000014152880	390469867	/nfs/dbraw/zinc/46/98/67/390469867.db2.gz	AAPNFYTYDJNLEJ-UHFFFAOYSA-N	1	0	253.258	1.104	40	5		CDBBRO
COc1cc([N+](=O)[O-])cc(CC[NH3+])c1OC(F)F	ZINC000078406403	177338828	/nfs/dbraw/zinc/33/88/28/177338828.db2.gz	LFWFXOLSOWZOQR-UHFFFAOYSA-N	1	0	262.212	1.706	40	5		CDBBRO
CC[C@@H](C)[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000002679919	375293937	/nfs/dbraw/zinc/29/39/37/375293937.db2.gz	QJKOJNFYUVMMIU-GHMZBOCLSA-N	1	0	268.313	1.723	40	5		CDBBRO
C[N+](C)(C)c1ncnc2c1ncn2[C@@H]1CCCCO1	ZINC000003954053	356013556	/nfs/dbraw/zinc/01/35/56/356013556.db2.gz	CSZQANOPEOXSKZ-JTQLQIEISA-N	1	0	262.337	1.722	40	5	in-vitro	CDBBRO
CC[C@H](CO)[NH+]1CCN(Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000075958949	366938305	/nfs/dbraw/zinc/93/83/05/366938305.db2.gz	UMCNOAITOMMHMR-CQSZACIVSA-N	1	0	293.367	1.483	40	5		CDBBRO
CC(C)C(=O)Nc1ccc(N2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000020154195	277334989	/nfs/dbraw/zinc/33/49/89/277334989.db2.gz	JIQOSQUXIJMMBE-UHFFFAOYSA-N	1	0	292.339	1.599	40	5		CDBBRO
COc1ccc(-c2nnc([C@@H](C)[NH3+])[nH]2)cc1[N+](=O)[O-]	ZINC000095534677	185006140	/nfs/dbraw/zinc/00/61/40/185006140.db2.gz	IDQZSPOSPDHMOW-ZCFIWIBFSA-N	1	0	263.257	1.408	40	5		CDBBRO
COCC(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12	ZINC000000037408	355880973	/nfs/dbraw/zinc/88/09/73/355880973.db2.gz	UYWJKUXCVQQSMS-IKCIUXDWSA-N	1	0	256.366	1.585	40	5	biogenic,in-vitro	CDBBRO
CNc1cc(N2CC[NH2+]CC2)c(Cl)cc1[N+](=O)[O-]	ZINC000045221393	273975161	/nfs/dbraw/zinc/97/51/61/273975161.db2.gz	LCYWZAQBGOQLSX-UHFFFAOYSA-N	1	0	270.720	1.700	40	5		CDBBRO
CSCC[C@@H]([NH3+])C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000004556947	356400242	/nfs/dbraw/zinc/40/02/42/356400242.db2.gz	PLBWRAWSHVJPTL-SNVBAGLBSA-N	1	0	269.326	1.614	40	5		CDBBRO
CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)[C@H](C)[NH3+]	ZINC000079420925	358212896	/nfs/dbraw/zinc/21/28/96/358212896.db2.gz	ZBYVLZCBKXPXIT-VIFPVBQESA-N	1	0	251.286	1.291	40	5		CDBBRO
[NH3+]CCCn1cc([N+](=O)[O-])c(OCCC(F)(F)F)n1	ZINC000408715788	360047744	/nfs/dbraw/zinc/04/77/44/360047744.db2.gz	DQRPXUDSUKHSMC-UHFFFAOYSA-N	1	0	282.222	1.471	40	5		CDBBRO
C[N+](C)(C)CCS(=O)(=O)c1ccc(Cl)cc1	ZINC000001737027	280177873	/nfs/dbraw/zinc/17/78/73/280177873.db2.gz	BSUBAMCFVQUAPJ-UHFFFAOYSA-N	1	0	262.782	1.820	40	5		CDBBRO
C[N@+]12CCCC[C@@H]1[C@H](N1C(=O)CCCC1=O)CCC2	ZINC000247644248	342234594	/nfs/dbraw/zinc/23/45/94/342234594.db2.gz	JBUTUZWQGOBNHH-PBFPGSCMSA-N	1	0	265.377	1.687	40	5	biogenic,in-vitro	CDBBRO
CCC[N+](C)(C)CCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352020	170088674	/nfs/dbraw/zinc/08/86/74/170088674.db2.gz	HZZUTTDRMYIDDZ-ITGHMWBKSA-N	1	0	296.387	1.214	40	5		CDBBRO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[NH2+]CC3)nn2)cc1	ZINC000071976788	176307017	/nfs/dbraw/zinc/30/70/17/176307017.db2.gz	JXVCWVWVIFLGHZ-UHFFFAOYSA-N	1	0	285.307	1.461	40	5		CDBBRO
Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000048517819	357188984	/nfs/dbraw/zinc/18/89/84/357188984.db2.gz	JPGRCJIWJCHZCH-UHFFFAOYSA-N	1	0	277.324	1.727	40	5		CDBBRO
CC[N+](C)(C)CCCOC(=O)[C@@H]1[C@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2	ZINC000005352078	170088792	/nfs/dbraw/zinc/08/87/92/170088792.db2.gz	UAYTZKXVZLOQJE-ITGHMWBKSA-N	1	0	296.387	1.214	40	5		CDBBRO
CC1=CC[C@@H]2C(=O)N(CC[N+](C)(C)C)C(=O)[C@H]2C1	ZINC000104388134	275917643	/nfs/dbraw/zinc/91/76/43/275917643.db2.gz	YXVGUNYRDCAJEU-RYUDHWBXSA-N	1	0	251.350	1.034	40	5		CDBBRO