smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
C[N+](C)(C)CCCOC1CC[NH+](CCF)CC1	ZINC001224624354	973807389	/nfs/dbraw/zinc/80/73/89/973807389.db2.gz	VOSHQTQJWFSCEC-UHFFFAOYSA-N	2	0	247.378	1.533	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCCCC[NH+](C)C	ZINC001224990980	974124774	/nfs/dbraw/zinc/12/47/74/974124774.db2.gz	KEXMVSWUMTXVQZ-LBPRGKRZSA-N	2	0	217.377	1.440	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)Oc1cc[nH+]c(N)c1	ZINC001226654361	975002247	/nfs/dbraw/zinc/00/22/47/975002247.db2.gz	YFLXSASWCGWACK-SECBINFHSA-N	2	0	210.301	1.137	20	5		BDBDRP
[NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1	ZINC000415034160	191658799	/nfs/dbraw/zinc/65/87/99/191658799.db2.gz	JNOHWZKVSCECBI-CMPLNLGQSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1	ZINC000310496903	385091808	/nfs/dbraw/zinc/09/18/08/385091808.db2.gz	ILCKLVWAURJUPZ-NXEZZACHSA-N	2	0	237.303	1.840	20	5		BDBDRP
C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC[NH3+]	ZINC000592427562	388158574	/nfs/dbraw/zinc/15/85/74/388158574.db2.gz	CFFSDMFPHDKMPF-QPJJXVBHSA-N	2	0	249.314	1.889	20	5		BDBDRP
[NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000422781980	388686727	/nfs/dbraw/zinc/68/67/27/388686727.db2.gz	FSWMYQLAQJYTFK-RYUDHWBXSA-N	2	0	249.314	1.607	20	5		BDBDRP
C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1	ZINC000422791145	388686927	/nfs/dbraw/zinc/68/69/27/388686927.db2.gz	PXSVJDXPGGAXOR-JTQLQIEISA-N	2	0	249.314	1.335	20	5		BDBDRP
Cc1nc2ccccc2n1CC[NH2+]CC[N+](=O)[O-]	ZINC000899876308	584245160	/nfs/dbraw/zinc/24/51/60/584245160.db2.gz	PWHBRCXRGNQMEE-UHFFFAOYSA-N	2	0	248.286	1.211	20	5		BDBDRP
C[NH+](C)C1CCC(OCCC[N+](C)(C)C)CC1	ZINC001224623314	973805961	/nfs/dbraw/zinc/80/59/61/973805961.db2.gz	MAQNQDZZEXRDEP-UHFFFAOYSA-N	2	0	243.415	1.972	20	5		BDBDRP
CC[NH+]1CCC(OCC[N+](C)(C)C)CC1	ZINC001224771664	964935177	/nfs/dbraw/zinc/93/51/77/964935177.db2.gz	QKASABSIYNEOIL-UHFFFAOYSA-N	2	0	215.361	1.194	20	5		BDBDRP
CC(C)(C)[NH+]1CC(OCCC[N+](C)(C)C)C1	ZINC001224620492	973802913	/nfs/dbraw/zinc/80/29/13/973802913.db2.gz	YVSLOBZYPZXDPR-UHFFFAOYSA-N	2	0	229.388	1.582	20	5		BDBDRP
[NH3+]C1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1	ZINC001246075236	987362361	/nfs/dbraw/zinc/36/23/61/987362361.db2.gz	JMCFHZLITMHUTE-WDEREUQCSA-N	2	0	241.335	1.293	20	5		BDBDRP
C[C@@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000129048098	350964995	/nfs/dbraw/zinc/96/49/95/350964995.db2.gz	FKEQKMWOADDZOE-PWSUYJOCSA-N	2	0	249.314	1.906	20	5		BDBDRP
C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000163223604	384180650	/nfs/dbraw/zinc/18/06/50/384180650.db2.gz	BBLIXNBSZZQNQP-ZYHUDNBSSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[C@H](NC[C@H]1CCC[NH2+]1)c1cccc([N+](=O)[O-])c1	ZINC000235516246	384426029	/nfs/dbraw/zinc/42/60/29/384426029.db2.gz	UKXSQOKUWBAEII-CMPLNLGQSA-N	2	0	249.314	1.997	20	5		BDBDRP
Cc1ccc(CN(C)[C@@H](C)C[NH3+])cc1[N+](=O)[O-]	ZINC000347089590	387349598	/nfs/dbraw/zinc/34/95/98/387349598.db2.gz	FFJMFHNQQODFRF-JTQLQIEISA-N	2	0	237.303	1.682	20	5		BDBDRP
[NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1	ZINC000415034163	387673884	/nfs/dbraw/zinc/67/38/84/387673884.db2.gz	JNOHWZKVSCECBI-PWSUYJOCSA-N	2	0	249.314	1.812	20	5		BDBDRP
[NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1	ZINC000415034165	387674354	/nfs/dbraw/zinc/67/43/54/387674354.db2.gz	JNOHWZKVSCECBI-ZYHUDNBSSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000423296985	388691402	/nfs/dbraw/zinc/69/14/02/388691402.db2.gz	IESAXUWPCYVFTE-VHSXEESVSA-N	2	0	237.303	1.840	20	5		BDBDRP
[NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1	ZINC001168988043	969344654	/nfs/dbraw/zinc/34/46/54/969344654.db2.gz	MVKSHHWOADHVHP-FIQHERPVSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[NH+](C)C1CCC(OCC[N+](C)(C)C)CC1	ZINC001224776794	973943144	/nfs/dbraw/zinc/94/31/44/973943144.db2.gz	ZYIYWWZUTWAPGH-UHFFFAOYSA-N	2	0	229.388	1.582	20	5		BDBDRP
[NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1	ZINC001168962722	969316294	/nfs/dbraw/zinc/31/62/94/969316294.db2.gz	MVKSHHWOADHVHP-YFKTTZPYSA-N	2	0	241.335	1.291	20	5		BDBDRP
[NH3+]C1CC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1	ZINC001254581987	969743864	/nfs/dbraw/zinc/74/38/64/969743864.db2.gz	RFNRZQWCQRZYLZ-MOENNCHZSA-N	2	0	247.298	1.141	20	5		BDBDRP
[NH3+][C@@H]1CCC[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1	ZINC001246539906	987903253	/nfs/dbraw/zinc/90/32/53/987903253.db2.gz	DLZYAMMARAICCN-TUAOUCFPSA-N	2	0	241.335	1.245	20	5		BDBDRP
[NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000415028637	191656692	/nfs/dbraw/zinc/65/66/92/191656692.db2.gz	CUMYWVUNSKXWDG-VXGBXAGGSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1C[NH2+]C1	ZINC000423311596	192697796	/nfs/dbraw/zinc/69/77/96/192697796.db2.gz	CBSCIKWTFKPWDR-JTQLQIEISA-N	2	0	249.314	1.335	20	5		BDBDRP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000089149824	359994184	/nfs/dbraw/zinc/99/41/84/359994184.db2.gz	SADDHVJMEYPZNH-DGCLKSJQSA-N	2	0	249.314	1.812	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1CN[C@@H]1CC[NH2+][C@H]1C	ZINC000600684185	371695354	/nfs/dbraw/zinc/69/53/54/371695354.db2.gz	YZSNLYGLZKCRAW-GXFFZTMASA-N	2	0	249.314	1.743	20	5		BDBDRP
C[NH2+]CCN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21	ZINC000423247801	384525201	/nfs/dbraw/zinc/52/52/01/384525201.db2.gz	PUYSMPWRMFWQRO-CYBMUJFWSA-N	2	0	249.314	1.781	20	5		BDBDRP
C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000131606048	177324640	/nfs/dbraw/zinc/32/46/40/177324640.db2.gz	IFYQSJSEEQPVPG-JQWIXIFHSA-N	2	0	249.314	1.764	20	5		BDBDRP
O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1	ZINC000129119357	591249191	/nfs/dbraw/zinc/24/91/91/591249191.db2.gz	AGMMYBLEWNAYNA-LBPRGKRZSA-N	2	0	249.314	1.827	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCCC[NH+]1CCCCC1	ZINC001224861228	974031283	/nfs/dbraw/zinc/03/12/83/974031283.db2.gz	UAVADGFILZYGNI-CQSZACIVSA-N	2	0	243.415	1.974	20	5		BDBDRP
C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](OCC[N+](C)(C)C)C2	ZINC001224770543	964933877	/nfs/dbraw/zinc/93/38/77/964933877.db2.gz	BIBJDLVXGAGEHK-ITGUQSILSA-N	2	0	227.372	1.334	20	5		BDBDRP
C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC([NH3+])C1	ZINC001254543487	969738642	/nfs/dbraw/zinc/73/86/42/969738642.db2.gz	SFAUUERRZJHYOT-OIKLOGQESA-N	2	0	249.314	1.605	20	5		BDBDRP
[NH3+]CCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254585858	969743888	/nfs/dbraw/zinc/74/38/88/969743888.db2.gz	XVVXUVXENCSTRL-GFCCVEGCSA-N	2	0	249.314	1.391	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OC[C@H]1CCCC[N@@H+]1C	ZINC001224705033	973875346	/nfs/dbraw/zinc/87/53/46/973875346.db2.gz	DFDXSZPWFAOWAZ-QWHCGFSZSA-N	2	0	229.388	1.582	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[NH2+]C2)C1	ZINC001246091307	987398797	/nfs/dbraw/zinc/39/87/97/987398797.db2.gz	OVPMNWGRCVQSAX-WOPDTQHZSA-N	2	0	241.335	1.164	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1	ZINC001246199316	987594488	/nfs/dbraw/zinc/59/44/88/987594488.db2.gz	UWMWDZGQKWADLM-WOPDTQHZSA-N	2	0	241.335	1.021	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1	ZINC001246205352	987603489	/nfs/dbraw/zinc/60/34/89/987603489.db2.gz	MVKSHHWOADHVHP-DDHJBXDOSA-N	2	0	241.335	1.291	20	5		BDBDRP
O=[N+]([O-])c1ccc(CNC[C@H]2CCCC[NH2+]2)cc1	ZINC000236418820	346238500	/nfs/dbraw/zinc/23/85/00/346238500.db2.gz	TZBBTCJUHSHGRG-GFCCVEGCSA-N	2	0	249.314	1.827	20	5		BDBDRP
C[C@@H](CCC[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000310320263	384725758	/nfs/dbraw/zinc/72/57/58/384725758.db2.gz	YLMMJEBKIINYNR-JTQLQIEISA-N	2	0	237.303	1.812	20	5		BDBDRP
C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000131605459	388348131	/nfs/dbraw/zinc/34/81/31/388348131.db2.gz	IFYQSJSEEQPVPG-ZYHUDNBSSA-N	2	0	249.314	1.764	20	5		BDBDRP
Cc1c([C@@H](C)[NH2+]CCC[NH3+])cccc1[N+](=O)[O-]	ZINC000423188262	388688175	/nfs/dbraw/zinc/68/81/75/388688175.db2.gz	LLTOYLKERGLOBT-SNVBAGLBSA-N	2	0	237.303	1.903	20	5		BDBDRP
[NH3+]CC[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000723670813	710731665	/nfs/dbraw/zinc/73/16/65/710731665.db2.gz	VBYXFCWBRSUHEV-NSHDSACASA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCCC[NH+](C)C	ZINC001206295446	968200540	/nfs/dbraw/zinc/20/05/40/968200540.db2.gz	FQDCBUAUDHOBJD-LLVKDONJSA-N	2	0	203.350	1.049	20	5		BDBDRP
CC[N+](C)(C)Cc1ccccc1N1CC[C@@H]([NH3+])C1	ZINC001164281523	965827039	/nfs/dbraw/zinc/82/70/39/965827039.db2.gz	GGIGRALSEXZXER-CQSZACIVSA-N	2	0	248.394	1.820	20	5		BDBDRP
CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168990226	969344388	/nfs/dbraw/zinc/34/43/88/969344388.db2.gz	YLQAHOCNCUMFSJ-ZJUUUORDSA-N	2	0	243.351	1.537	20	5		BDBDRP
O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1	ZINC001246217019	987614069	/nfs/dbraw/zinc/61/40/69/987614069.db2.gz	UWMWDZGQKWADLM-SRVKXCTJSA-N	2	0	241.335	1.021	20	5		BDBDRP
[NH3+]CCCC[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000037715134	181377543	/nfs/dbraw/zinc/37/75/43/181377543.db2.gz	DRGLWCLKFDTHOD-UHFFFAOYSA-N	2	0	223.276	1.423	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000309336224	383851740	/nfs/dbraw/zinc/85/17/40/383851740.db2.gz	KBFNJTYFJOMDSP-SECBINFHSA-N	2	0	223.276	1.279	20	5		BDBDRP
C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1C[NH2+]C1	ZINC000423311598	384535385	/nfs/dbraw/zinc/53/53/85/384535385.db2.gz	CBSCIKWTFKPWDR-SNVBAGLBSA-N	2	0	249.314	1.335	20	5		BDBDRP
CCC[NH2+]CCNCc1ccc([N+](=O)[O-])cc1	ZINC000414878651	387581607	/nfs/dbraw/zinc/58/16/07/387581607.db2.gz	HRHMIXNHPPOTRV-UHFFFAOYSA-N	2	0	237.303	1.684	20	5		BDBDRP
C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@H]2OCC[N+](C)(C)C	ZINC001224773123	964936588	/nfs/dbraw/zinc/93/65/88/964936588.db2.gz	DXICDTMDTNSKQG-WDNDVIMCSA-N	2	0	241.399	1.440	20	5		BDBDRP
CC[NH+](CC)C[C@H](C)OCCC[N+](C)(C)C	ZINC001224619172	973802294	/nfs/dbraw/zinc/80/22/94/973802294.db2.gz	MRIOKRDSCPLNRY-ZDUSSCGKSA-N	2	0	231.404	1.830	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OC[C@H]1CCCC[N@@H+]1C	ZINC001224705029	973875849	/nfs/dbraw/zinc/87/58/49/973875849.db2.gz	DFDXSZPWFAOWAZ-CHWSQXEVSA-N	2	0	229.388	1.582	20	5		BDBDRP
[NH3+]CCCC[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000037715137	181377553	/nfs/dbraw/zinc/37/75/53/181377553.db2.gz	OEVRXANMHZISEX-UHFFFAOYSA-N	2	0	223.276	1.423	20	5		BDBDRP
C[NH2+]CCN[C@H]1CCCc2ccc([N+](=O)[O-])cc21	ZINC000423247802	384525921	/nfs/dbraw/zinc/52/59/21/384525921.db2.gz	PUYSMPWRMFWQRO-ZDUSSCGKSA-N	2	0	249.314	1.781	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@@H]([NH3+])C1	ZINC000261926615	135263789	/nfs/dbraw/zinc/26/37/89/135263789.db2.gz	CFYUBTZKFFBYOT-MFKMUULPSA-N	2	0	249.314	1.682	20	5		BDBDRP
C[C@H]([NH2+]CCC[NH3+])c1ccc(N)c([N+](=O)[O-])c1	ZINC000817938216	586844549	/nfs/dbraw/zinc/84/45/49/586844549.db2.gz	GWYXKZNUFUZMIY-QMMMGPOBSA-N	2	0	238.291	1.176	20	5		BDBDRP
C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000873256550	590011467	/nfs/dbraw/zinc/01/14/67/590011467.db2.gz	PKRBEUHAGBQBPN-FOGDFJRCSA-N	2	0	249.314	1.983	20	5		BDBDRP
CC1([NH+]2CCC2)CCC([NH2+]CC[N+](=O)[O-])CC1	ZINC000905599867	637859233	/nfs/dbraw/zinc/85/92/33/637859233.db2.gz	DSNITYKXYWNOEB-UHFFFAOYSA-N	2	0	241.335	1.260	20	5		BDBDRP
[NH3+]CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000723668733	711533428	/nfs/dbraw/zinc/53/34/28/711533428.db2.gz	BMCAKCSLZYXUSW-GFCCVEGCSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCCC[NH+](C)C	ZINC001206295448	968200968	/nfs/dbraw/zinc/20/09/68/968200968.db2.gz	FQDCBUAUDHOBJD-NSHDSACASA-N	2	0	203.350	1.049	20	5		BDBDRP
[NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1	ZINC001168962717	969312651	/nfs/dbraw/zinc/31/26/51/969312651.db2.gz	MVKSHHWOADHVHP-NNYUYHANSA-N	2	0	241.335	1.291	20	5		BDBDRP
CC(C)[N@@H+]1CCC[C@@H](OCCC[N+](C)(C)C)C1	ZINC001224622154	973804707	/nfs/dbraw/zinc/80/47/07/973804707.db2.gz	FZDOZXKDLWIKSL-CQSZACIVSA-N	2	0	243.415	1.972	20	5		BDBDRP
O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1	ZINC001246217016	987613303	/nfs/dbraw/zinc/61/33/03/987613303.db2.gz	UWMWDZGQKWADLM-SDDRHHMPSA-N	2	0	241.335	1.021	20	5		BDBDRP
C[C@H]1CC[C@@H](CN)[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001246545426	987920623	/nfs/dbraw/zinc/92/06/23/987920623.db2.gz	KPCUQNHTSLIDPM-USZNOCQGSA-N	2	0	241.335	1.243	20	5		BDBDRP
Cc1cc(NCC[NH3+])c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000128315051	178161378	/nfs/dbraw/zinc/16/13/78/178161378.db2.gz	LTIFTNUAZOVMOD-UHFFFAOYSA-N	2	0	246.270	1.822	20	5		BDBDRP
CN(Cc1ccc([N+](=O)[O-])cc1)[C@@H](C[NH3+])C1CC1	ZINC000159664739	350968008	/nfs/dbraw/zinc/96/80/08/350968008.db2.gz	WKBSKRPIOUAOGZ-ZDUSSCGKSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000309420188	384183085	/nfs/dbraw/zinc/18/30/85/384183085.db2.gz	XUQWAKSJMMZJJW-SECBINFHSA-N	2	0	223.276	1.279	20	5		BDBDRP
C[C@H](CCC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000310545424	384188778	/nfs/dbraw/zinc/18/87/78/384188778.db2.gz	SCBWGJXGJPJDSF-SNVBAGLBSA-N	2	0	237.303	1.812	20	5		BDBDRP
C[C@H](CC[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000414892131	387592824	/nfs/dbraw/zinc/59/28/24/387592824.db2.gz	WLPUTFNHFWHBKF-DUMNWFOQSA-N	2	0	249.314	1.935	20	5		BDBDRP
C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1	ZINC000423012352	388686334	/nfs/dbraw/zinc/68/63/34/388686334.db2.gz	KLKLHHWSSFDRQJ-JTQLQIEISA-N	2	0	249.314	1.335	20	5		BDBDRP
CC[NH+](CC)CC1CC[NH+](CC[N+](=O)[O-])CC1	ZINC000929274807	643892518	/nfs/dbraw/zinc/89/25/18/643892518.db2.gz	AXBWDITUXBGNSK-UHFFFAOYSA-N	2	0	243.351	1.317	20	5		BDBDRP
[NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000723669328	710731562	/nfs/dbraw/zinc/73/15/62/710731562.db2.gz	HPWRMLUWGLZRPK-LLVKDONJSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[N@@H+]1CCC[C@@H](OCCC[N+](C)(C)C)C1	ZINC001224618399	964810852	/nfs/dbraw/zinc/81/08/52/964810852.db2.gz	GANKVSCVQUDWAC-GFCCVEGCSA-N	2	0	215.361	1.194	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCCC[N+](C)(C)C	ZINC001224622970	973806010	/nfs/dbraw/zinc/80/60/10/973806010.db2.gz	JKOIAEBJDIREMY-LBPRGKRZSA-N	2	0	218.385	1.194	20	5		BDBDRP
C[NH+](C)CCC[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001169005247	969331427	/nfs/dbraw/zinc/33/14/27/969331427.db2.gz	AABYFPWVSGSUII-VXGBXAGGSA-N	2	0	243.351	1.315	20	5		BDBDRP
[NH3+]C1CC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1	ZINC001254581986	969744978	/nfs/dbraw/zinc/74/49/78/969744978.db2.gz	RFNRZQWCQRZYLZ-CXQJBGSLSA-N	2	0	247.298	1.141	20	5		BDBDRP
CC[NH+](CC)C[C@@H](C)OCCC[N+](C)(C)C	ZINC001224619162	973801864	/nfs/dbraw/zinc/80/18/64/973801864.db2.gz	MRIOKRDSCPLNRY-CYBMUJFWSA-N	2	0	231.404	1.830	20	5		BDBDRP
C[C@@H]1CCN([C@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+]	ZINC001246564218	988018630	/nfs/dbraw/zinc/01/86/30/988018630.db2.gz	DPCZQCISRLJWKE-RHYQMDGZSA-N	2	0	241.335	1.101	20	5		BDBDRP
C[C@H](CC[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000414892134	191618056	/nfs/dbraw/zinc/61/80/56/191618056.db2.gz	WLPUTFNHFWHBKF-VLWUPBBWSA-N	2	0	249.314	1.935	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000414872121	385861199	/nfs/dbraw/zinc/86/11/99/385861199.db2.gz	FHBZLXXUTIGUDC-DUMNWFOQSA-N	2	0	249.314	1.792	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1CNC[C@H]1CCC[NH2+]1	ZINC000414843069	387375092	/nfs/dbraw/zinc/37/50/92/387375092.db2.gz	JHKJTJKLXSTNJY-GFCCVEGCSA-N	2	0	249.314	1.745	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CC[NH3+]	ZINC000414898317	387595356	/nfs/dbraw/zinc/59/53/56/387595356.db2.gz	SSOGEWGXAPVSBC-JTQLQIEISA-N	2	0	237.303	1.730	20	5		BDBDRP
[NH3+]CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21	ZINC000423191161	388687879	/nfs/dbraw/zinc/68/78/79/388687879.db2.gz	OMRSBMYJMDMDDM-ZDUSSCGKSA-N	2	0	249.314	1.911	20	5		BDBDRP
C[C@@H](NCC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1	ZINC000902414877	584600140	/nfs/dbraw/zinc/60/01/40/584600140.db2.gz	FOQZWEKOYWECHI-SECBINFHSA-N	2	0	235.287	1.737	20	5		BDBDRP
CC(C)[NH+]1CCC(CC[NH2+]CC[N+](=O)[O-])CC1	ZINC000905406921	637798260	/nfs/dbraw/zinc/79/82/60/637798260.db2.gz	ZSRNCOIMGLVSMV-UHFFFAOYSA-N	2	0	243.351	1.363	20	5		BDBDRP
CC(C)[N@H+](C)CC1CC[NH+](CC[N+](=O)[O-])CC1	ZINC000929507739	646158815	/nfs/dbraw/zinc/15/88/15/646158815.db2.gz	ZSXIVXHSKXQLSC-UHFFFAOYSA-N	2	0	243.351	1.315	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCC[NH+]1CCCC1	ZINC001206309171	978421056	/nfs/dbraw/zinc/42/10/56/978421056.db2.gz	LSKFHFIDVQUAKQ-LBPRGKRZSA-N	2	0	215.361	1.194	20	5		BDBDRP
CC(C)(C)[NH+]1CCC(OCC[N+](C)(C)C)CC1	ZINC001224776120	973943368	/nfs/dbraw/zinc/94/33/68/973943368.db2.gz	SJAMBDCUIFWADJ-UHFFFAOYSA-N	2	0	243.415	1.972	20	5		BDBDRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001246477307	972347480	/nfs/dbraw/zinc/34/74/80/972347480.db2.gz	HSWGKTMBMXZNST-YFKTTZPYSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OC[C@H]1CCC[NH2+]C1	ZINC001217892838	959723478	/nfs/dbraw/zinc/72/34/78/959723478.db2.gz	SFEJRVYCZFDAPK-NEPJUHHUSA-N	2	0	215.361	1.097	20	5		BDBDRP
C[NH+](C)CCCC[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168958009	969307407	/nfs/dbraw/zinc/30/74/07/969307407.db2.gz	KSYMDPVMVVKURO-VXGBXAGGSA-N	2	0	243.351	1.363	20	5		BDBDRP
C[N+](C)(C)CCOC1CN(Cc2ccccc2)C1	ZINC001224771696	973937135	/nfs/dbraw/zinc/93/71/35/973937135.db2.gz	QTBNYHMZSWOIHN-UHFFFAOYSA-N	2	0	249.378	1.594	20	5		BDBDRP
CC[NH+](CC)CCC[C@H](C)[NH2+]CC[N+](=O)[O-]	ZINC001338423287	978678192	/nfs/dbraw/zinc/67/81/92/978678192.db2.gz	OTDGMXLKMVYZJX-NSHDSACASA-N	2	0	231.340	1.363	20	5		BDBDRP
C[C@@H]1CCCC[N@@H+]1CCCNCC[N+](=O)[O-]	ZINC001353267539	982811374	/nfs/dbraw/zinc/81/13/74/982811374.db2.gz	SNAKNBWUWVFVOT-LLVKDONJSA-N	2	0	229.324	1.117	20	5		BDBDRP
[NH3+]CC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1	ZINC001246540551	987904878	/nfs/dbraw/zinc/90/48/78/987904878.db2.gz	VRMYJLZPTXRHFO-NEPJUHHUSA-N	2	0	241.335	1.103	20	5		BDBDRP
[NH3+][C@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1	ZINC000423018564	192542052	/nfs/dbraw/zinc/54/20/52/192542052.db2.gz	ZGBDBFLQJLARSG-STQMWFEESA-N	2	0	249.314	1.607	20	5		BDBDRP
C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000163223848	384179523	/nfs/dbraw/zinc/17/95/23/384179523.db2.gz	BBLIXNBSZZQNQP-PWSUYJOCSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[C@H]1C[C@@H](NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000414927901	386705317	/nfs/dbraw/zinc/70/53/17/386705317.db2.gz	AKHWPVGKZPLFQL-JQWIXIFHSA-N	2	0	249.314	1.825	20	5		BDBDRP
C[C@H]([NH2+]CCCC[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000037715220	388586503	/nfs/dbraw/zinc/58/65/03/388586503.db2.gz	WVIDTCKTKDKEFI-JTQLQIEISA-N	2	0	237.303	1.984	20	5		BDBDRP
C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000902488898	584627415	/nfs/dbraw/zinc/62/74/15/584627415.db2.gz	PROOCEWDSDAZMI-CKYFFXLPSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[C@@H]([NH2+]C1CC(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000904388861	584874820	/nfs/dbraw/zinc/87/48/20/584874820.db2.gz	PROOCEWDSDAZMI-GRZMOONWSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000873258396	590012775	/nfs/dbraw/zinc/01/27/75/590012775.db2.gz	PKRBEUHAGBQBPN-NHCYSSNCSA-N	2	0	249.314	1.983	20	5		BDBDRP
[NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1	ZINC000723669330	710732008	/nfs/dbraw/zinc/73/20/08/710732008.db2.gz	HPWRMLUWGLZRPK-NSHDSACASA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCC1CC[NH+](C)CC1	ZINC001224455701	973658241	/nfs/dbraw/zinc/65/82/41/973658241.db2.gz	VOAWOBJAHZEGGU-LBPRGKRZSA-N	2	0	229.388	1.440	20	5		BDBDRP
CC1([NH3+])CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1	ZINC001168979841	969299702	/nfs/dbraw/zinc/29/97/02/969299702.db2.gz	BJDKPMSCQAMFKR-QWRGUYRKSA-N	2	0	241.335	1.245	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254582740	969743309	/nfs/dbraw/zinc/74/33/09/969743309.db2.gz	WQEIDZRJRCNWTR-JOYOIKCWSA-N	2	0	249.314	1.246	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)C1	ZINC001246205353	987602594	/nfs/dbraw/zinc/60/25/94/987602594.db2.gz	MVKSHHWOADHVHP-IRCOFANPSA-N	2	0	241.335	1.291	20	5		BDBDRP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000089150478	357025575	/nfs/dbraw/zinc/02/55/75/357025575.db2.gz	FTDSNRCVHUJMBJ-PWSUYJOCSA-N	2	0	249.314	1.812	20	5		BDBDRP
O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1	ZINC000414838145	200768901	/nfs/dbraw/zinc/76/89/01/200768901.db2.gz	VBUSXEOEQLLLNN-LLVKDONJSA-N	2	0	249.314	1.684	20	5		BDBDRP
C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000310496905	384179237	/nfs/dbraw/zinc/17/92/37/384179237.db2.gz	ILCKLVWAURJUPZ-VHSXEESVSA-N	2	0	237.303	1.840	20	5		BDBDRP
C[C@H](CCC[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000415021861	387670596	/nfs/dbraw/zinc/67/05/96/387670596.db2.gz	LBMDQXYINNKUBE-MRVPVSSYSA-N	2	0	243.332	1.873	20	5		BDBDRP
C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000903964899	584834493	/nfs/dbraw/zinc/83/44/93/584834493.db2.gz	UAVUOWHCEYOZOO-PWSUYJOCSA-N	2	0	249.314	1.540	20	5		BDBDRP
C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000873255035	590010325	/nfs/dbraw/zinc/01/03/25/590010325.db2.gz	DIOBSFGTWWQRPC-FOGDFJRCSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000873257041	590011639	/nfs/dbraw/zinc/01/16/39/590011639.db2.gz	DIOBSFGTWWQRPC-CKYFFXLPSA-N	2	0	249.314	1.983	20	5		BDBDRP
CC(C)[N@@H+]1CC[C@@H](OCCC[N+](C)(C)C)C1	ZINC001224623329	973804478	/nfs/dbraw/zinc/80/44/78/973804478.db2.gz	MOWCZUNTQXEANG-CYBMUJFWSA-N	2	0	229.388	1.582	20	5		BDBDRP
CC[NH+](CC)CCC[C@@H](C)[NH2+]CC[N+](=O)[O-]	ZINC001338423286	978677061	/nfs/dbraw/zinc/67/70/61/978677061.db2.gz	OTDGMXLKMVYZJX-LLVKDONJSA-N	2	0	231.340	1.363	20	5		BDBDRP
C[C@@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000129047642	350964684	/nfs/dbraw/zinc/96/46/84/350964684.db2.gz	FKEQKMWOADDZOE-ZYHUDNBSSA-N	2	0	249.314	1.906	20	5		BDBDRP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000089150480	357026157	/nfs/dbraw/zinc/02/61/57/357026157.db2.gz	FTDSNRCVHUJMBJ-JQWIXIFHSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@H]1C[C@H](NCc2ccc([N+](=O)[O-])cc2)CC[NH2+]1	ZINC000414927900	386703916	/nfs/dbraw/zinc/70/39/16/386703916.db2.gz	AKHWPVGKZPLFQL-CMPLNLGQSA-N	2	0	249.314	1.825	20	5		BDBDRP
O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1	ZINC000414838148	387300606	/nfs/dbraw/zinc/30/06/06/387300606.db2.gz	VBUSXEOEQLLLNN-NSHDSACASA-N	2	0	249.314	1.684	20	5		BDBDRP
Cc1ccc([C@@H](C)[NH2+]CCC[NH3+])cc1[N+](=O)[O-]	ZINC000037713497	388586322	/nfs/dbraw/zinc/58/63/22/388586322.db2.gz	BUNDYCRIWWZIBR-SNVBAGLBSA-N	2	0	237.303	1.903	20	5		BDBDRP
C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1C[NH2+]C1	ZINC000422791148	388686350	/nfs/dbraw/zinc/68/63/50/388686350.db2.gz	PXSVJDXPGGAXOR-SNVBAGLBSA-N	2	0	249.314	1.335	20	5		BDBDRP
CC1CC[NH+](CCCC[NH2+]CC[N+](=O)[O-])CC1	ZINC000905044271	637561829	/nfs/dbraw/zinc/56/18/29/637561829.db2.gz	BWVJYOUBNDQJLI-UHFFFAOYSA-N	2	0	243.351	1.365	20	5		BDBDRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001246477305	972348543	/nfs/dbraw/zinc/34/85/43/972348543.db2.gz	HSWGKTMBMXZNST-QCNOEVLYSA-N	2	0	241.335	1.291	20	5		BDBDRP
CC(C)[N@@H+]1CC[C@@H](OCC[N+](C)(C)C)C1	ZINC001224775456	973944436	/nfs/dbraw/zinc/94/44/36/973944436.db2.gz	LKNDOIMGZMPXSY-GFCCVEGCSA-N	2	0	215.361	1.192	20	5		BDBDRP
[NH3+]C1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1	ZINC001246075233	987364898	/nfs/dbraw/zinc/36/48/98/987364898.db2.gz	JMCFHZLITMHUTE-MNOVXSKESA-N	2	0	241.335	1.293	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCC[NH2+]C2)C1	ZINC001246091306	987396327	/nfs/dbraw/zinc/39/63/27/987396327.db2.gz	OVPMNWGRCVQSAX-UTUOFQBUSA-N	2	0	241.335	1.164	20	5		BDBDRP
[NH3+]CC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1	ZINC001246540557	987901805	/nfs/dbraw/zinc/90/18/05/987901805.db2.gz	VRMYJLZPTXRHFO-VXGBXAGGSA-N	2	0	241.335	1.103	20	5		BDBDRP
C[C@@H]1CCN([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+]	ZINC001246564217	988016118	/nfs/dbraw/zinc/01/61/18/988016118.db2.gz	DPCZQCISRLJWKE-KXNHARMFSA-N	2	0	241.335	1.101	20	5		BDBDRP
[NH3+]CC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000593315588	347881171	/nfs/dbraw/zinc/88/11/71/347881171.db2.gz	IPEXDYNRQPHZEM-UHFFFAOYSA-N	2	0	249.314	1.813	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000414872125	191609159	/nfs/dbraw/zinc/60/91/59/191609159.db2.gz	FHBZLXXUTIGUDC-VLWUPBBWSA-N	2	0	249.314	1.792	20	5		BDBDRP
[NH3+]CCCN1CCc2c(cccc2[N+](=O)[O-])C1	ZINC000573665121	364886679	/nfs/dbraw/zinc/88/66/79/364886679.db2.gz	HWWFWGPPADLZRP-UHFFFAOYSA-N	2	0	235.287	1.302	20	5		BDBDRP
O=[N+]([O-])c1ccccc1/C=C/CN[C@@H]1CC[NH2+]C1	ZINC000414880732	387581459	/nfs/dbraw/zinc/58/14/59/387581459.db2.gz	KOHBPUPHCBJNJV-OGOUPESXSA-N	2	0	247.298	1.560	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1CN1C[C@H](C)[C@H]([NH3+])C1	ZINC000261926614	135263829	/nfs/dbraw/zinc/26/38/29/135263829.db2.gz	CFYUBTZKFFBYOT-GXFFZTMASA-N	2	0	249.314	1.682	20	5		BDBDRP
CC(C)([NH3+])CC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000306113841	643302970	/nfs/dbraw/zinc/30/29/70/643302970.db2.gz	YGROKBGFLBGDGU-UHFFFAOYSA-N	2	0	237.303	1.812	20	5		BDBDRP
[NH3+]CC[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000723670810	710731006	/nfs/dbraw/zinc/73/10/06/710731006.db2.gz	VBYXFCWBRSUHEV-LLVKDONJSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)Oc1cccc(C[NH3+])c1	ZINC001218355761	971727343	/nfs/dbraw/zinc/72/73/43/971727343.db2.gz	LZHIARZGYNBNOB-LLVKDONJSA-N	2	0	223.340	1.619	20	5		BDBDRP
Cc1cccc(N[C@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-]	ZINC001170899394	972060789	/nfs/dbraw/zinc/06/07/89/972060789.db2.gz	JURVWCLMGZIOTR-JTQLQIEISA-N	2	0	238.291	1.339	20	5		BDBDRP
C[NH+](C)CCC[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001169005246	969329523	/nfs/dbraw/zinc/32/95/23/969329523.db2.gz	AABYFPWVSGSUII-RYUDHWBXSA-N	2	0	243.351	1.315	20	5		BDBDRP
CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168990223	969346000	/nfs/dbraw/zinc/34/60/00/969346000.db2.gz	YLQAHOCNCUMFSJ-NXEZZACHSA-N	2	0	243.351	1.537	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254582741	969745504	/nfs/dbraw/zinc/74/55/04/969745504.db2.gz	WQEIDZRJRCNWTR-SKDRFNHKSA-N	2	0	249.314	1.246	20	5		BDBDRP
C[C@H]([NH3+])CN(C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001246979436	973738691	/nfs/dbraw/zinc/73/86/91/973738691.db2.gz	AEKBRUUGKPQQTC-ZANVPECISA-N	2	0	249.314	1.341	20	5		BDBDRP
CC[N@@H+]1CC[C@H](OCCC[N+](C)(C)C)C1	ZINC001224619593	973802159	/nfs/dbraw/zinc/80/21/59/973802159.db2.gz	PVJYLKDPDKONKP-LBPRGKRZSA-N	2	0	215.361	1.194	20	5		BDBDRP
CC[NH+](CC)CCO[C@H](C)C[N+](C)(C)C	ZINC001224931557	974078512	/nfs/dbraw/zinc/07/85/12/974078512.db2.gz	HXYWFBRYZYJQFG-GFCCVEGCSA-N	2	0	217.377	1.440	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1	ZINC001246091305	987397184	/nfs/dbraw/zinc/39/71/84/987397184.db2.gz	OVPMNWGRCVQSAX-IJLUTSLNSA-N	2	0	241.335	1.164	20	5		BDBDRP
C[C@@H]1CCN([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+]	ZINC001246564219	988011130	/nfs/dbraw/zinc/01/11/30/988011130.db2.gz	DPCZQCISRLJWKE-WYUUTHIRSA-N	2	0	241.335	1.101	20	5		BDBDRP
C[NH2+]C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C	ZINC000596103137	348439651	/nfs/dbraw/zinc/43/96/51/348439651.db2.gz	AYJOXEXUGYKKJL-SNVBAGLBSA-N	2	0	237.303	1.601	20	5		BDBDRP
CN(Cc1cccc([N+](=O)[O-])c1)[C@@H](C[NH3+])C1CC1	ZINC000159670561	350968133	/nfs/dbraw/zinc/96/81/33/350968133.db2.gz	UVHOFJSAOHXTNB-ZDUSSCGKSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000521993111	259581140	/nfs/dbraw/zinc/58/11/40/259581140.db2.gz	CZPMIKDNXWWQOO-UWVGGRQHSA-N	2	0	237.303	1.810	20	5		BDBDRP
O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1	ZINC000414830002	387271292	/nfs/dbraw/zinc/27/12/92/387271292.db2.gz	LMAQFIXVTCVUQC-LLVKDONJSA-N	2	0	249.314	1.684	20	5		BDBDRP
C[C@@H](CC[NH3+])[NH2+]C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000414892132	387592966	/nfs/dbraw/zinc/59/29/66/387592966.db2.gz	WLPUTFNHFWHBKF-MALLOTDXSA-N	2	0	249.314	1.935	20	5		BDBDRP
C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1	ZINC000422734330	388686564	/nfs/dbraw/zinc/68/65/64/388686564.db2.gz	CMEUPVCHTTUBOT-SNVBAGLBSA-N	2	0	249.314	1.335	20	5		BDBDRP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000089150559	636412424	/nfs/dbraw/zinc/41/24/24/636412424.db2.gz	OEXQERQRWKFIIZ-WCQYABFASA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OC[C@@H]1CCCC[N@@H+]1C	ZINC001224705036	973874927	/nfs/dbraw/zinc/87/49/27/973874927.db2.gz	DFDXSZPWFAOWAZ-STQMWFEESA-N	2	0	229.388	1.582	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCCCC[NH+](C)C	ZINC001224990979	974123337	/nfs/dbraw/zinc/12/33/37/974123337.db2.gz	KEXMVSWUMTXVQZ-GFCCVEGCSA-N	2	0	217.377	1.440	20	5		BDBDRP
Cc1ccc(C[NH2+]CCCC[NH3+])cc1[N+](=O)[O-]	ZINC000037715419	188082949	/nfs/dbraw/zinc/08/29/49/188082949.db2.gz	JFZMGYWUJTVVJL-UHFFFAOYSA-N	2	0	237.303	1.732	20	5		BDBDRP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000089150479	357027274	/nfs/dbraw/zinc/02/72/74/357027274.db2.gz	FTDSNRCVHUJMBJ-CMPLNLGQSA-N	2	0	249.314	1.812	20	5		BDBDRP
CN(Cc1cccc([N+](=O)[O-])c1)C1(C[NH3+])CCC1	ZINC000385368230	357679723	/nfs/dbraw/zinc/67/97/23/357679723.db2.gz	XEAKUXYTHSVULW-UHFFFAOYSA-N	2	0	249.314	1.908	20	5		BDBDRP
[NH3+]CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000028257643	181377425	/nfs/dbraw/zinc/37/74/25/181377425.db2.gz	KWZHUXYSZQNVLZ-UHFFFAOYSA-N	2	0	223.276	1.423	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000414872124	385862622	/nfs/dbraw/zinc/86/26/22/385862622.db2.gz	FHBZLXXUTIGUDC-QZPNVGJNSA-N	2	0	249.314	1.792	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000423296983	388690749	/nfs/dbraw/zinc/69/07/49/388690749.db2.gz	IESAXUWPCYVFTE-NXEZZACHSA-N	2	0	237.303	1.840	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000423296984	388691135	/nfs/dbraw/zinc/69/11/35/388691135.db2.gz	IESAXUWPCYVFTE-UWVGGRQHSA-N	2	0	237.303	1.840	20	5		BDBDRP
C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000873257042	590011498	/nfs/dbraw/zinc/01/14/98/590011498.db2.gz	DIOBSFGTWWQRPC-NHCYSSNCSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[NH+](C)Cc1cccc(C[NH2+]CC[N+](=O)[O-])c1	ZINC000905035733	637557223	/nfs/dbraw/zinc/55/72/23/637557223.db2.gz	PSHILZWYZWWOOJ-UHFFFAOYSA-N	2	0	237.303	1.115	20	5		BDBDRP
O=[N+]([O-])CC[NH2+]CCCCC[NH+]1CCCCC1	ZINC000905102161	637611515	/nfs/dbraw/zinc/61/15/15/637611515.db2.gz	AZDLYQVVVXEZHS-UHFFFAOYSA-N	2	0	243.351	1.509	20	5		BDBDRP
CC1([NH3+])CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1	ZINC001168979834	969297448	/nfs/dbraw/zinc/29/74/48/969297448.db2.gz	BJDKPMSCQAMFKR-MNOVXSKESA-N	2	0	241.335	1.245	20	5		BDBDRP
[NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1	ZINC001168962714	969311988	/nfs/dbraw/zinc/31/19/88/969311988.db2.gz	MVKSHHWOADHVHP-KXNHARMFSA-N	2	0	241.335	1.291	20	5		BDBDRP
CC(C)[N@@H+]1CCC[C@H](OCCC[N+](C)(C)C)C1	ZINC001224622140	973804917	/nfs/dbraw/zinc/80/49/17/973804917.db2.gz	FZDOZXKDLWIKSL-AWEZNQCLSA-N	2	0	243.415	1.972	20	5		BDBDRP
Cc1cccc(N[C@@H]([NH3+])CCC[NH3+])c1[N+](=O)[O-]	ZINC001170899399	972060845	/nfs/dbraw/zinc/06/08/45/972060845.db2.gz	JURVWCLMGZIOTR-SNVBAGLBSA-N	2	0	238.291	1.339	20	5		BDBDRP
CC[N+](C)(C)Cc1ccccc1NOCC[NH3+]	ZINC001164428660	965879884	/nfs/dbraw/zinc/87/98/84/965879884.db2.gz	GOHJPVMTCNJJMB-UHFFFAOYSA-N	2	0	238.355	1.585	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCC[NH+]1CCCCC1	ZINC001206710101	968437413	/nfs/dbraw/zinc/43/74/13/968437413.db2.gz	VEOGZEASSVKIOP-ZDUSSCGKSA-N	2	0	229.388	1.584	20	5		BDBDRP
[NH3+]CCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254585864	969744089	/nfs/dbraw/zinc/74/40/89/969744089.db2.gz	XVVXUVXENCSTRL-LBPRGKRZSA-N	2	0	249.314	1.391	20	5		BDBDRP
C[N+](C)(C)CCCOC1CC[NH+](C2CC2)CC1	ZINC001224622665	973805470	/nfs/dbraw/zinc/80/54/70/973805470.db2.gz	IQGSDOGXDGOBNG-UHFFFAOYSA-N	2	0	241.399	1.726	20	5		BDBDRP
CC[C@H]([NH2+]CCC[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000037713556	358476545	/nfs/dbraw/zinc/47/65/45/358476545.db2.gz	ANMRRYNZEOADKW-LBPRGKRZSA-N	2	0	237.303	1.984	20	5		BDBDRP
C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC([NH3+])C1	ZINC000384971188	356828426	/nfs/dbraw/zinc/82/84/26/356828426.db2.gz	YBGZNYYNEMZCIR-UHFFFAOYSA-N	2	0	249.314	1.559	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000309336227	383851454	/nfs/dbraw/zinc/85/14/54/383851454.db2.gz	KBFNJTYFJOMDSP-VIFPVBQESA-N	2	0	223.276	1.279	20	5		BDBDRP
C[C@@H](CC[NH3+])[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000414892133	386144795	/nfs/dbraw/zinc/14/47/95/386144795.db2.gz	WLPUTFNHFWHBKF-QZPNVGJNSA-N	2	0	249.314	1.935	20	5		BDBDRP
O=[N+]([O-])c1cccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)c1	ZINC000107574181	387033625	/nfs/dbraw/zinc/03/36/25/387033625.db2.gz	PMGMGBRDXBICEO-TXEJJXNPSA-N	2	0	247.298	1.246	20	5		BDBDRP
[NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1	ZINC000415031557	387671715	/nfs/dbraw/zinc/67/17/15/387671715.db2.gz	HCFSODOWDLDFTP-ZYHUDNBSSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@@H]([NH2+]CCCC[NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000037715285	388586133	/nfs/dbraw/zinc/58/61/33/388586133.db2.gz	KBTDAOSNRAJRKH-SNVBAGLBSA-N	2	0	237.303	1.984	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000423296986	388691826	/nfs/dbraw/zinc/69/18/26/388691826.db2.gz	IESAXUWPCYVFTE-ZJUUUORDSA-N	2	0	237.303	1.840	20	5		BDBDRP
O=[N+]([O-])CC[NH2+]CCCCC[NH+]1CCCC1	ZINC000905268855	637728304	/nfs/dbraw/zinc/72/83/04/637728304.db2.gz	SUYYREVHFJIVBY-UHFFFAOYSA-N	2	0	229.324	1.119	20	5		BDBDRP
[NH3+]C1CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000906510775	638183856	/nfs/dbraw/zinc/18/38/56/638183856.db2.gz	WQOIYQKBMVRMSF-HWKANZROSA-N	2	0	247.298	1.687	20	5		BDBDRP
C[NH+]1CCC2(CCC[N@H+](CC[N+](=O)[O-])C2)CC1	ZINC000930309525	639696794	/nfs/dbraw/zinc/69/67/94/639696794.db2.gz	LGBXBSNMFQJZKN-UHFFFAOYSA-N	2	0	241.335	1.071	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCCC[N+](C)(C)C	ZINC001224622969	973805920	/nfs/dbraw/zinc/80/59/20/973805920.db2.gz	JKOIAEBJDIREMY-GFCCVEGCSA-N	2	0	218.385	1.194	20	5		BDBDRP
CC[NH+](CC)CCO[C@@H](C)C[N+](C)(C)C	ZINC001224931558	974080685	/nfs/dbraw/zinc/08/06/85/974080685.db2.gz	HXYWFBRYZYJQFG-LBPRGKRZSA-N	2	0	217.377	1.440	20	5		BDBDRP
C[C@H]([NH3+])CN(C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001246979431	973737283	/nfs/dbraw/zinc/73/72/83/973737283.db2.gz	AEKBRUUGKPQQTC-TVQRCGJNSA-N	2	0	249.314	1.341	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)Oc1ccc2[nH]c(N)[nH+]c2c1	ZINC001230514947	977228237	/nfs/dbraw/zinc/22/82/37/977228237.db2.gz	DMCGERPQRREPIU-VIFPVBQESA-N	2	0	249.338	1.619	20	5		BDBDRP
[NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000415028634	191656694	/nfs/dbraw/zinc/65/66/94/191656694.db2.gz	CUMYWVUNSKXWDG-NEPJUHHUSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@H](CCC[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000310320265	384725983	/nfs/dbraw/zinc/72/59/83/384725983.db2.gz	YLMMJEBKIINYNR-SNVBAGLBSA-N	2	0	237.303	1.812	20	5		BDBDRP
C[C@@H](CC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000414889332	386114634	/nfs/dbraw/zinc/11/46/34/386114634.db2.gz	SKWKPPMPCNYJKB-VIFPVBQESA-N	2	0	223.276	1.422	20	5		BDBDRP
C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC[NH3+]	ZINC000592427561	388158528	/nfs/dbraw/zinc/15/85/28/388158528.db2.gz	CFFSDMFPHDKMPF-DAXSKMNVSA-N	2	0	249.314	1.889	20	5		BDBDRP
C[C@@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1	ZINC000902414905	584600082	/nfs/dbraw/zinc/60/00/82/584600082.db2.gz	GCUWVYKBIQVNNC-SECBINFHSA-N	2	0	235.287	1.737	20	5		BDBDRP
[NH3+][C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000906508721	638181391	/nfs/dbraw/zinc/18/13/91/638181391.db2.gz	WQOIYQKBMVRMSF-GNBMTSKZSA-N	2	0	247.298	1.687	20	5		BDBDRP
C[NH+]1CCC2(CC1)CC[NH+](CC[N+](=O)[O-])CC2	ZINC000931467640	640227181	/nfs/dbraw/zinc/22/71/81/640227181.db2.gz	LITCTXZHOQXVAE-UHFFFAOYSA-N	2	0	241.335	1.071	20	5		BDBDRP
CC(C)[N@@H+]1CC[C@H](OCCC[N+](C)(C)C)C1	ZINC001224623330	973804609	/nfs/dbraw/zinc/80/46/09/973804609.db2.gz	MOWCZUNTQXEANG-ZDUSSCGKSA-N	2	0	229.388	1.582	20	5		BDBDRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001246477299	972347354	/nfs/dbraw/zinc/34/73/54/972347354.db2.gz	HSWGKTMBMXZNST-KXNHARMFSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@H]1CCCC[N@@H+]1CCCNCC[N+](=O)[O-]	ZINC001353267540	982811456	/nfs/dbraw/zinc/81/14/56/982811456.db2.gz	SNAKNBWUWVFVOT-NSHDSACASA-N	2	0	229.324	1.117	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1	ZINC001246205355	987603965	/nfs/dbraw/zinc/60/39/65/987603965.db2.gz	MVKSHHWOADHVHP-QCNOEVLYSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@H]1CC[C@@H](CN)[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001246545424	987918946	/nfs/dbraw/zinc/91/89/46/987918946.db2.gz	KPCUQNHTSLIDPM-BJDJZHNGSA-N	2	0	241.335	1.243	20	5		BDBDRP
C[NH+](C)Cc1ccccc1C[NH2+]CC[N+](=O)[O-]	ZINC001262559892	992914503	/nfs/dbraw/zinc/91/45/03/992914503.db2.gz	ZJNVMXOEENRMJZ-UHFFFAOYSA-N	2	0	237.303	1.115	20	5		BDBDRP
[NH3+]C1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000051693123	181341719	/nfs/dbraw/zinc/34/17/19/181341719.db2.gz	GOHIARIQILJWSN-UHFFFAOYSA-N	2	0	249.314	1.954	20	5		BDBDRP
O=[N+]([O-])c1ccccc1/C=C/CN[C@H]1CC[NH2+]C1	ZINC000414880734	387581079	/nfs/dbraw/zinc/58/10/79/387581079.db2.gz	KOHBPUPHCBJNJV-PYEVWLCESA-N	2	0	247.298	1.560	20	5		BDBDRP
C[C@H]([NH2+]CCC[NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000037713581	388586801	/nfs/dbraw/zinc/58/68/01/388586801.db2.gz	JIBJXVSHWFUNIM-VIFPVBQESA-N	2	0	223.276	1.594	20	5		BDBDRP
Cc1c([C@H](C)[NH2+]CCC[NH3+])cccc1[N+](=O)[O-]	ZINC000423188249	388688106	/nfs/dbraw/zinc/68/81/06/388688106.db2.gz	LLTOYLKERGLOBT-JTQLQIEISA-N	2	0	237.303	1.903	20	5		BDBDRP
[NH3+][C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1	ZINC000906508722	638180786	/nfs/dbraw/zinc/18/07/86/638180786.db2.gz	WQOIYQKBMVRMSF-LSTVRDIWSA-N	2	0	247.298	1.687	20	5		BDBDRP
CC(C)[NH+]1CCC(OCC[N+](C)(C)C)CC1	ZINC001224775804	964938591	/nfs/dbraw/zinc/93/85/91/964938591.db2.gz	PLOGNXAWMIPEMD-UHFFFAOYSA-N	2	0	229.388	1.582	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OC[C@@H]1CCC[NH2+]C1	ZINC001217892844	959721497	/nfs/dbraw/zinc/72/14/97/959721497.db2.gz	SFEJRVYCZFDAPK-VXGBXAGGSA-N	2	0	215.361	1.097	20	5		BDBDRP
C[NH+](C)CCCC[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168958008	969306494	/nfs/dbraw/zinc/30/64/94/969306494.db2.gz	KSYMDPVMVVKURO-RYUDHWBXSA-N	2	0	243.351	1.363	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OC[C@@H]1CCCC[N@@H+]1C	ZINC001224705031	973874302	/nfs/dbraw/zinc/87/43/02/973874302.db2.gz	DFDXSZPWFAOWAZ-OLZOCXBDSA-N	2	0	229.388	1.582	20	5		BDBDRP
C[N+](C)(C)CCOC1CC[NH+](C2CC2)CC1	ZINC001224772589	973937570	/nfs/dbraw/zinc/93/75/70/973937570.db2.gz	ASDWWECZKLOSNQ-UHFFFAOYSA-N	2	0	227.372	1.336	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCCC[NH+]1CCCCC1	ZINC001224861227	974034529	/nfs/dbraw/zinc/03/45/29/974034529.db2.gz	UAVADGFILZYGNI-AWEZNQCLSA-N	2	0	243.415	1.974	20	5		BDBDRP
C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC([NH3+])C1	ZINC001173219910	975074263	/nfs/dbraw/zinc/07/42/63/975074263.db2.gz	QZTNRAVRSVAUBE-GCVQQVDUSA-N	2	0	249.314	1.605	20	5		BDBDRP
[NH3+]CC1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1	ZINC000593316276	347881375	/nfs/dbraw/zinc/88/13/75/347881375.db2.gz	OIYRVXQBVVBSMU-UHFFFAOYSA-N	2	0	249.314	1.813	20	5		BDBDRP
[NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1	ZINC000415034162	191658808	/nfs/dbraw/zinc/65/88/08/191658808.db2.gz	JNOHWZKVSCECBI-JQWIXIFHSA-N	2	0	249.314	1.812	20	5		BDBDRP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000089149826	357025605	/nfs/dbraw/zinc/02/56/05/357025605.db2.gz	SADDHVJMEYPZNH-WCQYABFASA-N	2	0	249.314	1.812	20	5		BDBDRP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000089150477	357025991	/nfs/dbraw/zinc/02/59/91/357025991.db2.gz	FTDSNRCVHUJMBJ-ZYHUDNBSSA-N	2	0	249.314	1.812	20	5		BDBDRP
[NH3+]CCCC[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000037715587	181377201	/nfs/dbraw/zinc/37/72/01/181377201.db2.gz	PNALUUDPOBEJER-UHFFFAOYSA-N	2	0	229.305	1.485	20	5		BDBDRP
C[N@H+](CCC[NH3+])CCc1ccc([N+](=O)[O-])cc1	ZINC000123288101	369849275	/nfs/dbraw/zinc/84/92/75/369849275.db2.gz	XJYJEPQLBVFQPH-UHFFFAOYSA-N	2	0	237.303	1.418	20	5		BDBDRP
Cc1ccc(C[NH2+][C@H](C)CC[NH3+])cc1[N+](=O)[O-]	ZINC000414881214	385991943	/nfs/dbraw/zinc/99/19/43/385991943.db2.gz	KSKXDCBTXZZICW-SNVBAGLBSA-N	2	0	237.303	1.730	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC[NH3+]	ZINC000414896813	387593952	/nfs/dbraw/zinc/59/39/52/387593952.db2.gz	ACDKJUIQFFVRJE-UHFFFAOYSA-N	2	0	237.303	1.732	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1	ZINC000423018561	388686775	/nfs/dbraw/zinc/68/67/75/388686775.db2.gz	ZGBDBFLQJLARSG-CHWSQXEVSA-N	2	0	249.314	1.607	20	5		BDBDRP
C[C@@H]1CCC[N@H+](CCCC[NH2+]CC[N+](=O)[O-])C1	ZINC000905046174	637563920	/nfs/dbraw/zinc/56/39/20/637563920.db2.gz	OFONIGRTPLFCFL-GFCCVEGCSA-N	2	0	243.351	1.365	20	5		BDBDRP
C[C@H]1CCC[N@H+](CCCC[NH2+]CC[N+](=O)[O-])C1	ZINC000905046176	637564575	/nfs/dbraw/zinc/56/45/75/637564575.db2.gz	OFONIGRTPLFCFL-LBPRGKRZSA-N	2	0	243.351	1.365	20	5		BDBDRP
[NH3+]CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000723668734	711533502	/nfs/dbraw/zinc/53/35/02/711533502.db2.gz	BMCAKCSLZYXUSW-LBPRGKRZSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)Oc1cccc(C[NH3+])c1	ZINC001218355771	971726300	/nfs/dbraw/zinc/72/63/00/971726300.db2.gz	LZHIARZGYNBNOB-NSHDSACASA-N	2	0	223.340	1.619	20	5		BDBDRP
[NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1	ZINC001168962719	969315702	/nfs/dbraw/zinc/31/57/02/969315702.db2.gz	MVKSHHWOADHVHP-WRWGMCAJSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@H]([NH3+])CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001246306061	987705340	/nfs/dbraw/zinc/70/53/40/987705340.db2.gz	PGLALWSXHCNOEW-JOYOIKCWSA-N	2	0	249.314	1.389	20	5		BDBDRP
[NH3+]CC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1	ZINC001246540553	987901860	/nfs/dbraw/zinc/90/18/60/987901860.db2.gz	VRMYJLZPTXRHFO-NWDGAFQWSA-N	2	0	241.335	1.103	20	5		BDBDRP
[NH3+]CC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000593317738	347881236	/nfs/dbraw/zinc/88/12/36/347881236.db2.gz	VZTQZAPAOUJZHU-UHFFFAOYSA-N	2	0	249.314	1.813	20	5		BDBDRP
O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1	ZINC000129227742	351008938	/nfs/dbraw/zinc/00/89/38/351008938.db2.gz	OEFUYJMXXLVUGZ-GFCCVEGCSA-N	2	0	249.314	1.827	20	5		BDBDRP
[NH3+]C1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1	ZINC000051693125	181341415	/nfs/dbraw/zinc/34/14/15/181341415.db2.gz	RFBCQPCYUKMYMY-UHFFFAOYSA-N	2	0	249.314	1.954	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000310496904	384179038	/nfs/dbraw/zinc/17/90/38/384179038.db2.gz	ILCKLVWAURJUPZ-UWVGGRQHSA-N	2	0	237.303	1.840	20	5		BDBDRP
C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000422951127	384487433	/nfs/dbraw/zinc/48/74/33/384487433.db2.gz	XQSMGDUBONRKBA-ZJUUUORDSA-N	2	0	237.303	1.810	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000336681903	385642582	/nfs/dbraw/zinc/64/25/82/385642582.db2.gz	RVHOJNGZEQUYSQ-VIFPVBQESA-N	2	0	223.276	1.279	20	5		BDBDRP
C[C@H]([NH2+]CCC[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000037713517	388586767	/nfs/dbraw/zinc/58/67/67/388586767.db2.gz	NSTISNMYMDXZKN-VIFPVBQESA-N	2	0	223.276	1.594	20	5		BDBDRP
C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1C[NH2+]C1	ZINC000423012353	388686531	/nfs/dbraw/zinc/68/65/31/388686531.db2.gz	KLKLHHWSSFDRQJ-SNVBAGLBSA-N	2	0	249.314	1.335	20	5		BDBDRP
C[C@@H](CCC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000310545423	175666001	/nfs/dbraw/zinc/66/60/01/175666001.db2.gz	SCBWGJXGJPJDSF-JTQLQIEISA-N	2	0	237.303	1.812	20	5		BDBDRP
[NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000089150557	636412814	/nfs/dbraw/zinc/41/28/14/636412814.db2.gz	OEXQERQRWKFIIZ-DGCLKSJQSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[N@@H+]1CCC[C@H](OCC[N+](C)(C)C)CC1	ZINC001224771846	964935813	/nfs/dbraw/zinc/93/58/13/964935813.db2.gz	SQDXEOZWKQAUDW-LBPRGKRZSA-N	2	0	215.361	1.194	20	5		BDBDRP
CC(C)([NH3+])C(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168990225	969345102	/nfs/dbraw/zinc/34/51/02/969345102.db2.gz	YLQAHOCNCUMFSJ-VHSXEESVSA-N	2	0	243.351	1.537	20	5		BDBDRP
C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC([NH3+])C1	ZINC001254543485	969735272	/nfs/dbraw/zinc/73/52/72/969735272.db2.gz	SFAUUERRZJHYOT-GCVQQVDUSA-N	2	0	249.314	1.605	20	5		BDBDRP
[NH3+]C1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCC1	ZINC001246075234	987365694	/nfs/dbraw/zinc/36/56/94/987365694.db2.gz	JMCFHZLITMHUTE-QWRGUYRKSA-N	2	0	241.335	1.293	20	5		BDBDRP
[NH3+]CC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1	ZINC001246540555	987905593	/nfs/dbraw/zinc/90/55/93/987905593.db2.gz	VRMYJLZPTXRHFO-RYUDHWBXSA-N	2	0	241.335	1.103	20	5		BDBDRP
[NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000415028635	191656571	/nfs/dbraw/zinc/65/65/71/191656571.db2.gz	CUMYWVUNSKXWDG-NWDGAFQWSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[NH+](C)C1CC(NCc2cccc([N+](=O)[O-])c2)C1	ZINC000582555792	357343594	/nfs/dbraw/zinc/34/35/94/357343594.db2.gz	FZQIJBYQSVILSX-UHFFFAOYSA-N	2	0	249.314	1.777	20	5		BDBDRP
[NH3+]C1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1	ZINC000342150067	181332391	/nfs/dbraw/zinc/33/23/91/181332391.db2.gz	WSICZAXQOUTTOV-UHFFFAOYSA-N	2	0	249.314	1.608	20	5		BDBDRP
C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000163223723	384180676	/nfs/dbraw/zinc/18/06/76/384180676.db2.gz	BBLIXNBSZZQNQP-JQWIXIFHSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[C@@H](CC[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000414887481	387591170	/nfs/dbraw/zinc/59/11/70/387591170.db2.gz	QKGXLENQHQFWMY-VIFPVBQESA-N	2	0	223.276	1.422	20	5		BDBDRP
[NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1	ZINC000415031554	387672022	/nfs/dbraw/zinc/67/20/22/387672022.db2.gz	HCFSODOWDLDFTP-CMPLNLGQSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@@H]([NH2+]CCCC[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000037715221	388586796	/nfs/dbraw/zinc/58/67/96/388586796.db2.gz	WVIDTCKTKDKEFI-SNVBAGLBSA-N	2	0	237.303	1.984	20	5		BDBDRP
C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH3+]	ZINC000423178602	388688402	/nfs/dbraw/zinc/68/84/02/388688402.db2.gz	CDQIXHHNHWWMAY-JTQLQIEISA-N	2	0	237.303	1.464	20	5		BDBDRP
C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000873255036	590010274	/nfs/dbraw/zinc/01/02/74/590010274.db2.gz	DIOBSFGTWWQRPC-JBLDHEPKSA-N	2	0	249.314	1.983	20	5		BDBDRP
[NH3+]C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000050249137	711591006	/nfs/dbraw/zinc/59/10/06/711591006.db2.gz	IIPYULVLEWIDLN-LBPRGKRZSA-N	2	0	249.314	1.418	20	5		BDBDRP
C[N@H+]1C[C@H]2CCC[C@@H](C1)[C@@H]2OCC[N+](C)(C)C	ZINC001224773119	964936138	/nfs/dbraw/zinc/93/61/38/964936138.db2.gz	DXICDTMDTNSKQG-BTTYYORXSA-N	2	0	241.399	1.440	20	5		BDBDRP
C[C@H](C[NH+](C)C)OCCC[N+](C)(C)C	ZINC001224621765	973805340	/nfs/dbraw/zinc/80/53/40/973805340.db2.gz	CXIZNESJZWXKSQ-LLVKDONJSA-N	2	0	203.350	1.049	20	5		BDBDRP
CC(C)[NH+]1CCC(OCCC[N+](C)(C)C)CC1	ZINC001224624012	973807181	/nfs/dbraw/zinc/80/71/81/973807181.db2.gz	STRFXBAABNMWNX-UHFFFAOYSA-N	2	0	243.415	1.972	20	5		BDBDRP
C[NH+]1CCC(OCCC[N+](C)(C)C)CC1	ZINC001224619156	973802800	/nfs/dbraw/zinc/80/28/00/973802800.db2.gz	MLPJLJSAKTVJMD-UHFFFAOYSA-N	2	0	215.361	1.194	20	5		BDBDRP
CC[N@@H+]1CC[C@@H](OCCC[N+](C)(C)C)C1	ZINC001224619588	973802782	/nfs/dbraw/zinc/80/27/82/973802782.db2.gz	PVJYLKDPDKONKP-GFCCVEGCSA-N	2	0	215.361	1.194	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OC[C@@H]1CCC[N@@H+]1C	ZINC001224817355	974000665	/nfs/dbraw/zinc/00/06/65/974000665.db2.gz	NMCIULORICNLKQ-NEPJUHHUSA-N	2	0	215.361	1.192	20	5		BDBDRP
[NH3+][C@@H]1CCC[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1	ZINC001246539904	987903629	/nfs/dbraw/zinc/90/36/29/987903629.db2.gz	DLZYAMMARAICCN-QJPTWQEYSA-N	2	0	241.335	1.245	20	5		BDBDRP
C[C@H]1C[C@@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000129048362	350964552	/nfs/dbraw/zinc/96/45/52/350964552.db2.gz	FKEQKMWOADDZOE-JQWIXIFHSA-N	2	0	249.314	1.906	20	5		BDBDRP
Cc1ccc(C[NH2+][C@@H](C)CC[NH3+])cc1[N+](=O)[O-]	ZINC000414881207	191613856	/nfs/dbraw/zinc/61/38/56/191613856.db2.gz	KSKXDCBTXZZICW-JTQLQIEISA-N	2	0	237.303	1.730	20	5		BDBDRP
CC[C@@H]([NH2+]CCC[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000037713557	388586154	/nfs/dbraw/zinc/58/61/54/388586154.db2.gz	ANMRRYNZEOADKW-GFCCVEGCSA-N	2	0	237.303	1.984	20	5		BDBDRP
[NH3+][C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1	ZINC000423018563	388687001	/nfs/dbraw/zinc/68/70/01/388687001.db2.gz	ZGBDBFLQJLARSG-QWHCGFSZSA-N	2	0	249.314	1.607	20	5		BDBDRP
[NH3+]CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21	ZINC000423191159	388688667	/nfs/dbraw/zinc/68/86/67/388688667.db2.gz	OMRSBMYJMDMDDM-CYBMUJFWSA-N	2	0	249.314	1.911	20	5		BDBDRP
C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000131605843	176368296	/nfs/dbraw/zinc/36/82/96/176368296.db2.gz	IFYQSJSEEQPVPG-PWSUYJOCSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H]([NH3+])C1	ZINC000904308702	584863036	/nfs/dbraw/zinc/86/30/36/584863036.db2.gz	VBZPNBPEFKJAMZ-KLPPZKSPSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000873256551	590011521	/nfs/dbraw/zinc/01/15/21/590011521.db2.gz	PKRBEUHAGBQBPN-JBLDHEPKSA-N	2	0	249.314	1.983	20	5		BDBDRP
O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1	ZINC000129119136	591249667	/nfs/dbraw/zinc/24/96/67/591249667.db2.gz	AGMMYBLEWNAYNA-GFCCVEGCSA-N	2	0	249.314	1.827	20	5		BDBDRP
C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC[N+](=O)[O-]	ZINC000905047677	637566569	/nfs/dbraw/zinc/56/65/69/637566569.db2.gz	VGEVFJNLVLIDMD-LBPRGKRZSA-N	2	0	243.351	1.507	20	5		BDBDRP
C[C@@H](C[NH+](C)C)OCCC[N+](C)(C)C	ZINC001224621768	973805334	/nfs/dbraw/zinc/80/53/34/973805334.db2.gz	CXIZNESJZWXKSQ-NSHDSACASA-N	2	0	203.350	1.049	20	5		BDBDRP
CC[N@@H+]1CCC[C@@H](OCCC[N+](C)(C)C)C1	ZINC001224624357	973807835	/nfs/dbraw/zinc/80/78/35/973807835.db2.gz	VRZCSAVWSBPTKS-CYBMUJFWSA-N	2	0	229.388	1.584	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OC1CC[NH+](C)CC1	ZINC001222509222	972536553	/nfs/dbraw/zinc/53/65/53/972536553.db2.gz	IUPDTYVAPFKHQP-LLVKDONJSA-N	2	0	215.361	1.192	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OC[C@H]1CCC[NH2+]C1	ZINC001217892843	959722037	/nfs/dbraw/zinc/72/20/37/959722037.db2.gz	SFEJRVYCZFDAPK-RYUDHWBXSA-N	2	0	215.361	1.097	20	5		BDBDRP
CC(C)[N@@H+]1CCC[C@@H](OCC[N+](C)(C)C)C1	ZINC001224774952	964937440	/nfs/dbraw/zinc/93/74/40/964937440.db2.gz	HEZVCRCZSFFUED-CYBMUJFWSA-N	2	0	229.388	1.582	20	5		BDBDRP
CC(C)([NH3+])C(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168990224	969345730	/nfs/dbraw/zinc/34/57/30/969345730.db2.gz	YLQAHOCNCUMFSJ-UWVGGRQHSA-N	2	0	243.351	1.537	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCC1CC[NH+](C)CC1	ZINC001224455692	973659121	/nfs/dbraw/zinc/65/91/21/973659121.db2.gz	VOAWOBJAHZEGGU-GFCCVEGCSA-N	2	0	229.388	1.440	20	5		BDBDRP
[NH3+][C@@H]1CCC[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1	ZINC001246539910	987904414	/nfs/dbraw/zinc/90/44/14/987904414.db2.gz	DLZYAMMARAICCN-UTUOFQBUSA-N	2	0	241.335	1.245	20	5		BDBDRP
C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+]	ZINC000601327334	371748223	/nfs/dbraw/zinc/74/82/23/371748223.db2.gz	SXHUAXVDTPGXLB-ZYHUDNBSSA-N	2	0	249.314	1.621	20	5		BDBDRP
C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1[N+](=O)[O-]	ZINC000310224694	384059966	/nfs/dbraw/zinc/05/99/66/384059966.db2.gz	GPBWJPCUBPTKLP-SNVBAGLBSA-N	2	0	237.303	1.812	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000336681902	385643303	/nfs/dbraw/zinc/64/33/03/385643303.db2.gz	RVHOJNGZEQUYSQ-SECBINFHSA-N	2	0	223.276	1.279	20	5		BDBDRP
[NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1	ZINC000415031555	387672249	/nfs/dbraw/zinc/67/22/49/387672249.db2.gz	HCFSODOWDLDFTP-JQWIXIFHSA-N	2	0	249.314	1.812	20	5		BDBDRP
[NH3+][C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000422781979	388687066	/nfs/dbraw/zinc/68/70/66/388687066.db2.gz	FSWMYQLAQJYTFK-NWDGAFQWSA-N	2	0	249.314	1.607	20	5		BDBDRP
C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000423240186	388690412	/nfs/dbraw/zinc/69/04/12/388690412.db2.gz	WZUGFJGDAOAKAA-UWVGGRQHSA-N	2	0	237.303	1.983	20	5		BDBDRP
C[C@H](C[NH3+])NCc1ccc([N+](=O)[O-])cc1F	ZINC000414937812	491114304	/nfs/dbraw/zinc/11/43/04/491114304.db2.gz	XIWZDUBTBPSWEW-SSDOTTSWSA-N	2	0	227.239	1.171	20	5		BDBDRP
C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC[N+](=O)[O-]	ZINC000905047676	637567437	/nfs/dbraw/zinc/56/74/37/637567437.db2.gz	VGEVFJNLVLIDMD-GFCCVEGCSA-N	2	0	243.351	1.507	20	5		BDBDRP
[NH3+]C1CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1	ZINC000906510776	638183234	/nfs/dbraw/zinc/18/32/34/638183234.db2.gz	WQOIYQKBMVRMSF-HYXAFXHYSA-N	2	0	247.298	1.687	20	5		BDBDRP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000089150558	644535863	/nfs/dbraw/zinc/53/58/63/644535863.db2.gz	OEXQERQRWKFIIZ-YPMHNXCESA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCC[NH+]1CCCCC1	ZINC001206710095	968437384	/nfs/dbraw/zinc/43/73/84/968437384.db2.gz	VEOGZEASSVKIOP-CYBMUJFWSA-N	2	0	229.388	1.584	20	5		BDBDRP
[NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C1	ZINC001168988044	969344813	/nfs/dbraw/zinc/34/48/13/969344813.db2.gz	MVKSHHWOADHVHP-NOOOWODRSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC([NH3+])C1	ZINC001173219911	975072607	/nfs/dbraw/zinc/07/26/07/975072607.db2.gz	QZTNRAVRSVAUBE-OIKLOGQESA-N	2	0	249.314	1.605	20	5		BDBDRP
C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1	ZINC000423223764	388688865	/nfs/dbraw/zinc/68/88/65/388688865.db2.gz	ANAZALKYZOOPSS-UWVGGRQHSA-N	2	0	237.303	1.983	20	5		BDBDRP
C[C@]1(C[NH3+])CCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000261562994	135205041	/nfs/dbraw/zinc/20/50/41/135205041.db2.gz	GRVIWCDWIZHACZ-CYBMUJFWSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@H]([NH2+]CCCC[NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000037715284	176843232	/nfs/dbraw/zinc/84/32/32/176843232.db2.gz	KBTDAOSNRAJRKH-JTQLQIEISA-N	2	0	237.303	1.984	20	5		BDBDRP
C[N@H+](CCCC[NH+]1CCCCC1)CC[N+](=O)[O-]	ZINC000931703425	640328505	/nfs/dbraw/zinc/32/85/05/640328505.db2.gz	JPINWNSUXYRPEB-UHFFFAOYSA-N	2	0	243.351	1.461	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCC[NH+]1CCCC1	ZINC001206309169	978419049	/nfs/dbraw/zinc/41/90/49/978419049.db2.gz	LSKFHFIDVQUAKQ-GFCCVEGCSA-N	2	0	215.361	1.194	20	5		BDBDRP
[NH3+][C@@H]1CCC[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1	ZINC001246539902	987900604	/nfs/dbraw/zinc/90/06/04/987900604.db2.gz	DLZYAMMARAICCN-IJLUTSLNSA-N	2	0	241.335	1.245	20	5		BDBDRP
[NH3+]CCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000414915709	357193644	/nfs/dbraw/zinc/19/36/44/357193644.db2.gz	ZMYGSHAWHNGLIR-FNORWQNLSA-N	2	0	249.314	1.937	20	5		BDBDRP
C[N@H+](CCC[NH3+])CCc1ccccc1[N+](=O)[O-]	ZINC000133816767	372118175	/nfs/dbraw/zinc/11/81/75/372118175.db2.gz	VTQFDAZQPTUQGS-UHFFFAOYSA-N	2	0	237.303	1.418	20	5		BDBDRP
C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000163223482	384180494	/nfs/dbraw/zinc/18/04/94/384180494.db2.gz	BBLIXNBSZZQNQP-CMPLNLGQSA-N	2	0	249.314	1.764	20	5		BDBDRP
O=[N+]([O-])c1ccccc1CN1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000107574280	387032088	/nfs/dbraw/zinc/03/20/88/387032088.db2.gz	UKZDACONHWNZAW-TXEJJXNPSA-N	2	0	247.298	1.246	20	5		BDBDRP
O=[N+]([O-])c1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1	ZINC000107578971	387033111	/nfs/dbraw/zinc/03/31/11/387033111.db2.gz	BQBPJBZVIHMZBX-TXEJJXNPSA-N	2	0	247.298	1.246	20	5		BDBDRP
C[C@H](C[NH3+])CNCc1ccc([N+](=O)[O-])cc1F	ZINC000414874670	387581919	/nfs/dbraw/zinc/58/19/19/387581919.db2.gz	ISPKDIGCMHVTQH-MRVPVSSYSA-N	2	0	241.266	1.418	20	5		BDBDRP
[NH3+]CCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F	ZINC000414908595	387600549	/nfs/dbraw/zinc/60/05/49/387600549.db2.gz	QGLSZRRWKWDBTD-UHFFFAOYSA-N	2	0	241.266	1.562	20	5		BDBDRP
C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000423240187	388690010	/nfs/dbraw/zinc/69/00/10/388690010.db2.gz	WZUGFJGDAOAKAA-VHSXEESVSA-N	2	0	237.303	1.983	20	5		BDBDRP
C[C@@]1(C[NH3+])CCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000261562996	135205132	/nfs/dbraw/zinc/20/51/32/135205132.db2.gz	GRVIWCDWIZHACZ-ZDUSSCGKSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000902487453	584626457	/nfs/dbraw/zinc/62/64/57/584626457.db2.gz	GVTJOVUTJLLYHB-CKYFFXLPSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000902488900	584627403	/nfs/dbraw/zinc/62/74/03/584627403.db2.gz	PROOCEWDSDAZMI-NHCYSSNCSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[C@H]([NH2+]C1CC(C[NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000904388860	584874726	/nfs/dbraw/zinc/87/47/26/584874726.db2.gz	PROOCEWDSDAZMI-BMQDGWLCSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[C@@H]([NH2+]CCC[NH3+])c1ccc(N)c([N+](=O)[O-])c1	ZINC000817938215	586844195	/nfs/dbraw/zinc/84/41/95/586844195.db2.gz	GWYXKZNUFUZMIY-MRVPVSSYSA-N	2	0	238.291	1.176	20	5		BDBDRP
Cc1ccc(CNC2CC([NH3+])C2)cc1[N+](=O)[O-]	ZINC000906509581	638181861	/nfs/dbraw/zinc/18/18/61/638181861.db2.gz	KHJSJPMGWBBPFC-UHFFFAOYSA-N	2	0	235.287	1.483	20	5		BDBDRP
CC[NH+](CC)C[C@@H](C)OCC[N+](C)(C)C	ZINC001224771749	964935742	/nfs/dbraw/zinc/93/57/42/964935742.db2.gz	RSMKAHQWLWVLAC-GFCCVEGCSA-N	2	0	217.377	1.440	20	5		BDBDRP
CC(C)[N@@H+]1CCC[C@H](OCC[N+](C)(C)C)C1	ZINC001224774957	964936820	/nfs/dbraw/zinc/93/68/20/964936820.db2.gz	HEZVCRCZSFFUED-ZDUSSCGKSA-N	2	0	229.388	1.582	20	5		BDBDRP
[NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1	ZINC001168988045	969345774	/nfs/dbraw/zinc/34/57/74/969345774.db2.gz	MVKSHHWOADHVHP-RHYQMDGZSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OC1CC[NH+](C)CC1	ZINC001222509223	972534661	/nfs/dbraw/zinc/53/46/61/972534661.db2.gz	IUPDTYVAPFKHQP-NSHDSACASA-N	2	0	215.361	1.192	20	5		BDBDRP
C[NH+](C)[C@H]1CC[C@H](OCCC[N+](C)(C)C)CC1	ZINC001224623313	973805744	/nfs/dbraw/zinc/80/57/44/973805744.db2.gz	MAQNQDZZEXRDEP-HDJSIYSDSA-N	2	0	243.415	1.972	20	5		BDBDRP
O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1	ZINC000414840932	191597682	/nfs/dbraw/zinc/59/76/82/191597682.db2.gz	XLWQNMRVSKKKDU-GFCCVEGCSA-N	2	0	249.314	1.684	20	5		BDBDRP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000089149827	357027411	/nfs/dbraw/zinc/02/74/11/357027411.db2.gz	SADDHVJMEYPZNH-AAEUAGOBSA-N	2	0	249.314	1.812	20	5		BDBDRP
[NH3+]CC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000044511831	181365819	/nfs/dbraw/zinc/36/58/19/181365819.db2.gz	VANXXCRPPHLXJX-UHFFFAOYSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1	ZINC000310496907	384180270	/nfs/dbraw/zinc/18/02/70/384180270.db2.gz	ILCKLVWAURJUPZ-ZJUUUORDSA-N	2	0	237.303	1.840	20	5		BDBDRP
C[NH2+]CCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000414864544	385763340	/nfs/dbraw/zinc/76/33/40/385763340.db2.gz	ZKVMRRRCXQMYBD-DAXSKMNVSA-N	2	0	249.314	1.807	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH3+])C1	ZINC000347082505	387325664	/nfs/dbraw/zinc/32/56/64/387325664.db2.gz	ZHZFQROKKSDAMW-NSHDSACASA-N	2	0	249.314	1.684	20	5		BDBDRP
Cc1ccc(C[NH2+]C[C@H](C)C[NH3+])cc1[N+](=O)[O-]	ZINC000414871617	387581724	/nfs/dbraw/zinc/58/17/24/387581724.db2.gz	DPMVAWIPVPCILM-SECBINFHSA-N	2	0	237.303	1.588	20	5		BDBDRP
CN(CCC[NH3+])Cc1cc([O-])ccc1[N+](=O)[O-]	ZINC000593725792	388237925	/nfs/dbraw/zinc/23/79/25/388237925.db2.gz	WDYQDPPSSIVNTR-UHFFFAOYSA-N	2	0	239.275	1.081	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000422781981	388686474	/nfs/dbraw/zinc/68/64/74/388686474.db2.gz	FSWMYQLAQJYTFK-VXGBXAGGSA-N	2	0	249.314	1.607	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-]	ZINC000422781978	388687243	/nfs/dbraw/zinc/68/72/43/388687243.db2.gz	FSWMYQLAQJYTFK-NEPJUHHUSA-N	2	0	249.314	1.607	20	5		BDBDRP
C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1	ZINC000131605653	177361445	/nfs/dbraw/zinc/36/14/45/177361445.db2.gz	IFYQSJSEEQPVPG-CMPLNLGQSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[C@H](NCC1([NH3+])CC1)c1cccc([N+](=O)[O-])c1	ZINC000902414906	584600248	/nfs/dbraw/zinc/60/02/48/584600248.db2.gz	GCUWVYKBIQVNNC-VIFPVBQESA-N	2	0	235.287	1.737	20	5		BDBDRP
C[NH+](C)CCCC1CC[NH+](CC[N+](=O)[O-])CC1	ZINC000787727881	585914782	/nfs/dbraw/zinc/91/47/82/585914782.db2.gz	DNZPREBJXORQMS-UHFFFAOYSA-N	2	0	243.351	1.317	20	5		BDBDRP
C[N+](C)(C)CCCO[C@@H]1C[NH+]2CCC1CC2	ZINC001224622975	964812839	/nfs/dbraw/zinc/81/28/39/964812839.db2.gz	JNGFPGPFKFMABG-CYBMUJFWSA-N	2	0	227.372	1.194	20	5		BDBDRP
CC[N+](C)(C)Cc1ccccc1N1CC[C@H]([NH3+])C1	ZINC001164281522	965826151	/nfs/dbraw/zinc/82/61/51/965826151.db2.gz	GGIGRALSEXZXER-AWEZNQCLSA-N	2	0	248.394	1.820	20	5		BDBDRP
CC1([NH3+])CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1	ZINC001168979826	969298854	/nfs/dbraw/zinc/29/88/54/969298854.db2.gz	BJDKPMSCQAMFKR-GHMZBOCLSA-N	2	0	241.335	1.245	20	5		BDBDRP
C[C@H](C[NH3+])C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254582738	969745926	/nfs/dbraw/zinc/74/59/26/969745926.db2.gz	WQEIDZRJRCNWTR-BXKDBHETSA-N	2	0	249.314	1.246	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)OCCC[NH+]1CCCC1	ZINC001224751291	973912823	/nfs/dbraw/zinc/91/28/23/973912823.db2.gz	XCODSKMRKVKTHG-CYBMUJFWSA-N	2	0	229.388	1.584	20	5		BDBDRP
[NH3+][C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1	ZINC001580430480	986846915	/nfs/dbraw/zinc/84/69/15/986846915.db2.gz	NNAZWBVDPUQZOQ-XYPYZODXSA-N	2	0	235.287	1.217	20	5		BDBDRP
O=[N+]([O-])c1ccccc1C[NH2+]CC1CC[NH2+]CC1	ZINC000094010405	398244337	/nfs/dbraw/zinc/24/43/37/398244337.db2.gz	YQDPVSPXCRZZPQ-UHFFFAOYSA-N	2	0	249.314	1.684	20	5		BDBDRP
O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1	ZINC000129227977	351008872	/nfs/dbraw/zinc/00/88/72/351008872.db2.gz	OEFUYJMXXLVUGZ-LBPRGKRZSA-N	2	0	249.314	1.827	20	5		BDBDRP
[NH3+]CCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-]	ZINC000414915708	352266695	/nfs/dbraw/zinc/26/66/95/352266695.db2.gz	ZMYGSHAWHNGLIR-ALCCZGGFSA-N	2	0	249.314	1.937	20	5		BDBDRP
C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000422951126	384489188	/nfs/dbraw/zinc/48/91/88/384489188.db2.gz	XQSMGDUBONRKBA-VHSXEESVSA-N	2	0	237.303	1.810	20	5		BDBDRP
C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1cccc([N+](=O)[O-])c1	ZINC000902487454	584626954	/nfs/dbraw/zinc/62/69/54/584626954.db2.gz	GVTJOVUTJLLYHB-NHCYSSNCSA-N	2	0	249.314	1.983	20	5		BDBDRP
[NH3+][C@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C1	ZINC000904363152	584874343	/nfs/dbraw/zinc/87/43/43/584874343.db2.gz	CMRAWNNIQSXGDT-JGZJWPJOSA-N	2	0	235.287	1.422	20	5		BDBDRP
CCN(CC[NH3+])CCc1ccc([N+](=O)[O-])cc1	ZINC000306054641	636698359	/nfs/dbraw/zinc/69/83/59/636698359.db2.gz	XDRDLVPEANCMNK-UHFFFAOYSA-N	2	0	237.303	1.418	20	5		BDBDRP
C[NH+](C)C1(C)CCC([NH2+]CC[N+](=O)[O-])CC1	ZINC000905403235	637797596	/nfs/dbraw/zinc/79/75/96/637797596.db2.gz	ASJNOYITLFOAPT-UHFFFAOYSA-N	2	0	229.324	1.116	20	5		BDBDRP
[NH3+]C1CC(NCc2csc([N+](=O)[O-])c2)C1	ZINC000906509536	638181401	/nfs/dbraw/zinc/18/14/01/638181401.db2.gz	IIDFRXOEXABUDI-UHFFFAOYSA-N	2	0	227.289	1.236	20	5		BDBDRP
CC[NH+]1CCC(OCCC[N+](C)(C)C)CC1	ZINC001224619173	973803052	/nfs/dbraw/zinc/80/30/52/973803052.db2.gz	MSTAMMLGACZFRN-UHFFFAOYSA-N	2	0	229.388	1.584	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OCCC[NH+]1CCCC1	ZINC001224751292	973914147	/nfs/dbraw/zinc/91/41/47/973914147.db2.gz	XCODSKMRKVKTHG-ZDUSSCGKSA-N	2	0	229.388	1.584	20	5		BDBDRP
C[N+](C)(C)CCCO[C@H]1C[NH+]2CCC1CC2	ZINC001224622977	964816154	/nfs/dbraw/zinc/81/61/54/964816154.db2.gz	JNGFPGPFKFMABG-ZDUSSCGKSA-N	2	0	227.372	1.194	20	5		BDBDRP
C[NH+](C)[C@H]1CC[C@H](OCC[N+](C)(C)C)CC1	ZINC001224776793	973942609	/nfs/dbraw/zinc/94/26/09/973942609.db2.gz	ZYIYWWZUTWAPGH-JOCQHMNTSA-N	2	0	229.388	1.582	20	5		BDBDRP
C[C@H](C[N+](C)(C)C)Oc1ccc2[nH]c(N)[nH+]c2c1	ZINC001230514946	977226399	/nfs/dbraw/zinc/22/63/99/977226399.db2.gz	DMCGERPQRREPIU-SECBINFHSA-N	2	0	249.338	1.619	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[NH2+]C2)C1	ZINC001246091301	987397018	/nfs/dbraw/zinc/39/70/18/987397018.db2.gz	OVPMNWGRCVQSAX-GRYCIOLGSA-N	2	0	241.335	1.164	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1	ZINC001246199315	987593408	/nfs/dbraw/zinc/59/34/08/987593408.db2.gz	UWMWDZGQKWADLM-UTUOFQBUSA-N	2	0	241.335	1.021	20	5		BDBDRP
[NH3+]CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000044511833	181365388	/nfs/dbraw/zinc/36/53/88/181365388.db2.gz	VHVWTRWULMHCJE-UHFFFAOYSA-N	2	0	249.314	1.766	20	5		BDBDRP
C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000422951124	384488240	/nfs/dbraw/zinc/48/82/40/384488240.db2.gz	XQSMGDUBONRKBA-NXEZZACHSA-N	2	0	237.303	1.810	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH3+])C1	ZINC000347082503	387325458	/nfs/dbraw/zinc/32/54/58/387325458.db2.gz	ZHZFQROKKSDAMW-LLVKDONJSA-N	2	0	249.314	1.684	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)C[NH3+]	ZINC000414871615	387581586	/nfs/dbraw/zinc/58/15/86/387581586.db2.gz	DPMORTVWCTUTJF-SECBINFHSA-N	2	0	237.303	1.588	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000414872122	387581695	/nfs/dbraw/zinc/58/16/95/387581695.db2.gz	FHBZLXXUTIGUDC-MALLOTDXSA-N	2	0	249.314	1.792	20	5		BDBDRP
[NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000415028636	387671935	/nfs/dbraw/zinc/67/19/35/387671935.db2.gz	CUMYWVUNSKXWDG-RYUDHWBXSA-N	2	0	249.314	1.812	20	5		BDBDRP
C[C@H](C[NH3+])NCc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000841059651	587940719	/nfs/dbraw/zinc/94/07/19/587940719.db2.gz	JKQBXQLQLMPJSA-SSDOTTSWSA-N	2	0	243.694	1.685	20	5		BDBDRP
CC[NH+](CC)C[C@H](C)OCC[N+](C)(C)C	ZINC001224771751	964935243	/nfs/dbraw/zinc/93/52/43/964935243.db2.gz	RSMKAHQWLWVLAC-LBPRGKRZSA-N	2	0	217.377	1.440	20	5		BDBDRP
C[NH+](C)CCCC[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001168958006	969306935	/nfs/dbraw/zinc/30/69/35/969306935.db2.gz	KSYMDPVMVVKURO-NEPJUHHUSA-N	2	0	243.351	1.363	20	5		BDBDRP
CC(C)[N@@H+]1CC[C@H](OCC[N+](C)(C)C)C1	ZINC001224775457	973941640	/nfs/dbraw/zinc/94/16/40/973941640.db2.gz	LKNDOIMGZMPXSY-LBPRGKRZSA-N	2	0	215.361	1.192	20	5		BDBDRP
O=[N+]([O-])c1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1	ZINC000236418753	346238833	/nfs/dbraw/zinc/23/88/33/346238833.db2.gz	TZBBTCJUHSHGRG-LBPRGKRZSA-N	2	0	249.314	1.827	20	5		BDBDRP
C[C@H]1C[C@H]([NH3+])CCN1Cc1ccc([N+](=O)[O-])cc1	ZINC000129047878	350964906	/nfs/dbraw/zinc/96/49/06/350964906.db2.gz	FKEQKMWOADDZOE-CMPLNLGQSA-N	2	0	249.314	1.906	20	5		BDBDRP
CN(Cc1ccc([N+](=O)[O-])cc1)[C@H](C[NH3+])C1CC1	ZINC000159664876	350967622	/nfs/dbraw/zinc/96/76/22/350967622.db2.gz	WKBSKRPIOUAOGZ-CYBMUJFWSA-N	2	0	249.314	1.764	20	5		BDBDRP
C[NH2+]CCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000414864545	385763120	/nfs/dbraw/zinc/76/31/20/385763120.db2.gz	ZKVMRRRCXQMYBD-QPJJXVBHSA-N	2	0	249.314	1.807	20	5		BDBDRP
[NH3+]CCCN(Cc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000414675711	386154871	/nfs/dbraw/zinc/15/48/71/386154871.db2.gz	MJZPFFPLPRAPNP-UHFFFAOYSA-N	2	0	249.314	1.908	20	5		BDBDRP
C[N@H+](CCC[NH3+])CCc1cccc([N+](=O)[O-])c1	ZINC000414770032	386456564	/nfs/dbraw/zinc/45/65/64/386456564.db2.gz	XKOXTGVZGAFVIL-UHFFFAOYSA-N	2	0	237.303	1.418	20	5		BDBDRP
O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1	ZINC000414840933	386750952	/nfs/dbraw/zinc/75/09/52/386750952.db2.gz	XLWQNMRVSKKKDU-LBPRGKRZSA-N	2	0	249.314	1.684	20	5		BDBDRP
C[C@@H]([NH2+]CCC[NH3+])c1cccc([N+](=O)[O-])c1	ZINC000037713518	388586734	/nfs/dbraw/zinc/58/67/34/388586734.db2.gz	NSTISNMYMDXZKN-SECBINFHSA-N	2	0	223.276	1.594	20	5		BDBDRP
C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000423223766	388689759	/nfs/dbraw/zinc/68/97/59/388689759.db2.gz	ANAZALKYZOOPSS-VHSXEESVSA-N	2	0	237.303	1.983	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1CN1C[C@@H](C)[C@H]([NH3+])C1	ZINC000261926616	135263875	/nfs/dbraw/zinc/26/38/75/135263875.db2.gz	CFYUBTZKFFBYOT-ZWNOBZJWSA-N	2	0	249.314	1.682	20	5		BDBDRP
CC[N@@H+]1CCC[C@H](OCC[N+](C)(C)C)C1	ZINC001224775080	964938597	/nfs/dbraw/zinc/93/85/97/964938597.db2.gz	IHAHFNMBUZVVHL-LBPRGKRZSA-N	2	0	215.361	1.194	20	5		BDBDRP
[NH3+][C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001246477295	972348782	/nfs/dbraw/zinc/34/87/82/972348782.db2.gz	HSWGKTMBMXZNST-KKOKHZNYSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OC[C@@H]1CCC[NH2+]C1	ZINC001217892841	959722251	/nfs/dbraw/zinc/72/22/51/959722251.db2.gz	SFEJRVYCZFDAPK-NWDGAFQWSA-N	2	0	215.361	1.097	20	5		BDBDRP
[NH3+][C@H]1CCC[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)C1	ZINC001168988042	969345874	/nfs/dbraw/zinc/34/58/74/969345874.db2.gz	MVKSHHWOADHVHP-BJDJZHNGSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)Oc1cc[nH+]c(N)c1	ZINC001226654364	975003189	/nfs/dbraw/zinc/00/31/89/975003189.db2.gz	YFLXSASWCGWACK-VIFPVBQESA-N	2	0	210.301	1.137	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C1	ZINC001246199312	987594312	/nfs/dbraw/zinc/59/43/12/987594312.db2.gz	UWMWDZGQKWADLM-GRYCIOLGSA-N	2	0	241.335	1.021	20	5		BDBDRP
C[C@H]1CC[C@@H](CN)[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001246545425	987922489	/nfs/dbraw/zinc/92/24/89/987922489.db2.gz	KPCUQNHTSLIDPM-QCNOEVLYSA-N	2	0	241.335	1.243	20	5		BDBDRP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000089149825	357025792	/nfs/dbraw/zinc/02/57/92/357025792.db2.gz	SADDHVJMEYPZNH-YPMHNXCESA-N	2	0	249.314	1.812	20	5		BDBDRP
O=[N+]([O-])c1ccc(CC[NH2+]C2CC[NH2+]CC2)cc1	ZINC000040676019	373586834	/nfs/dbraw/zinc/58/68/34/373586834.db2.gz	SLVHAVKNMLXBLH-UHFFFAOYSA-N	2	0	249.314	1.479	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)C[NH3+]	ZINC000414871616	387581514	/nfs/dbraw/zinc/58/15/14/387581514.db2.gz	DPMORTVWCTUTJF-VIFPVBQESA-N	2	0	237.303	1.588	20	5		BDBDRP
C[C@H](CC[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000414887024	387590088	/nfs/dbraw/zinc/59/00/88/387590088.db2.gz	QKGXLENQHQFWMY-SECBINFHSA-N	2	0	223.276	1.422	20	5		BDBDRP
CC1([NH3+])CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1	ZINC001168979849	969297543	/nfs/dbraw/zinc/29/75/43/969297543.db2.gz	BJDKPMSCQAMFKR-WDEREUQCSA-N	2	0	241.335	1.245	20	5		BDBDRP
C[NH+](C)CCC[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001169005245	969328519	/nfs/dbraw/zinc/32/85/19/969328519.db2.gz	AABYFPWVSGSUII-NWDGAFQWSA-N	2	0	243.351	1.315	20	5		BDBDRP
CC[N@@H+]1CCC[C@H](OCCC[N+](C)(C)C)C1	ZINC001224624359	973807414	/nfs/dbraw/zinc/80/74/14/973807414.db2.gz	VRZCSAVWSBPTKS-ZDUSSCGKSA-N	2	0	229.388	1.584	20	5		BDBDRP
C[N@@H+]1CCC[C@H](OCCC[N+](C)(C)C)C1	ZINC001224618400	964809355	/nfs/dbraw/zinc/80/93/55/964809355.db2.gz	GANKVSCVQUDWAC-LBPRGKRZSA-N	2	0	215.361	1.194	20	5		BDBDRP
CC[N@@H+]1CCC[C@@H](OCC[N+](C)(C)C)C1	ZINC001224775071	964938997	/nfs/dbraw/zinc/93/89/97/964938997.db2.gz	IHAHFNMBUZVVHL-GFCCVEGCSA-N	2	0	215.361	1.194	20	5		BDBDRP
C[NH+](C)CCCC[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1	ZINC001168958007	969308183	/nfs/dbraw/zinc/30/81/83/969308183.db2.gz	KSYMDPVMVVKURO-NWDGAFQWSA-N	2	0	243.351	1.363	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)C1	ZINC001246205354	987601780	/nfs/dbraw/zinc/60/17/80/987601780.db2.gz	MVKSHHWOADHVHP-KKOKHZNYSA-N	2	0	241.335	1.291	20	5		BDBDRP
C[NH2+]C[C@H](C)NCc1ccc([N+](=O)[O-])cc1C	ZINC000596103136	348439596	/nfs/dbraw/zinc/43/95/96/348439596.db2.gz	AYJOXEXUGYKKJL-JTQLQIEISA-N	2	0	237.303	1.601	20	5		BDBDRP
C[NH2+]C[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1	ZINC000596103117	348439614	/nfs/dbraw/zinc/43/96/14/348439614.db2.gz	AITMLWKSAKZGCP-JTQLQIEISA-N	2	0	237.303	1.601	20	5		BDBDRP
Cc1c(CN(C)C2CC([NH3+])C2)cccc1[N+](=O)[O-]	ZINC000384965031	356821489	/nfs/dbraw/zinc/82/14/89/356821489.db2.gz	XFVCNDGZZRFCAI-UHFFFAOYSA-N	2	0	249.314	1.825	20	5		BDBDRP
O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1	ZINC000414830004	387271063	/nfs/dbraw/zinc/27/10/63/387271063.db2.gz	LMAQFIXVTCVUQC-NSHDSACASA-N	2	0	249.314	1.684	20	5		BDBDRP
C[C@@H](C[NH3+])CNCc1ccc([N+](=O)[O-])cc1F	ZINC000414874672	387581033	/nfs/dbraw/zinc/58/10/33/387581033.db2.gz	ISPKDIGCMHVTQH-QMMMGPOBSA-N	2	0	241.266	1.418	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CC[NH3+]	ZINC000414898318	387595441	/nfs/dbraw/zinc/59/54/41/387595441.db2.gz	SSOGEWGXAPVSBC-SNVBAGLBSA-N	2	0	237.303	1.730	20	5		BDBDRP
C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1C[NH2+]C1	ZINC000422734329	388686975	/nfs/dbraw/zinc/68/69/75/388686975.db2.gz	CMEUPVCHTTUBOT-JTQLQIEISA-N	2	0	249.314	1.335	20	5		BDBDRP
C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[NH3+]	ZINC000423178603	388688906	/nfs/dbraw/zinc/68/89/06/388688906.db2.gz	CDQIXHHNHWWMAY-SNVBAGLBSA-N	2	0	237.303	1.464	20	5		BDBDRP
[NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1	ZINC000093215866	636087601	/nfs/dbraw/zinc/08/76/01/636087601.db2.gz	JKACJQIPAZOZPO-RYUDHWBXSA-N	2	0	249.314	1.954	20	5		BDBDRP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000089150560	636411898	/nfs/dbraw/zinc/41/18/98/636411898.db2.gz	OEXQERQRWKFIIZ-AAEUAGOBSA-N	2	0	249.314	1.812	20	5		BDBDRP
CC(C)[NH+]1CC(OCCC[N+](C)(C)C)C1	ZINC001224620355	973802545	/nfs/dbraw/zinc/80/25/45/973802545.db2.gz	WYSMXVUYHAKWNE-UHFFFAOYSA-N	2	0	215.361	1.192	20	5		BDBDRP
C[N@@H+]1CCC[C@@H](OCC[N+](C)(C)C)CC1	ZINC001224771845	973936699	/nfs/dbraw/zinc/93/66/99/973936699.db2.gz	SQDXEOZWKQAUDW-GFCCVEGCSA-N	2	0	215.361	1.194	20	5		BDBDRP
C[C@@H](C[N+](C)(C)C)OC[C@@H]1CCC[N@@H+]1C	ZINC001224817356	974002217	/nfs/dbraw/zinc/00/22/17/974002217.db2.gz	NMCIULORICNLKQ-RYUDHWBXSA-N	2	0	215.361	1.192	20	5		BDBDRP
C[N@H+]1[C@@H]2CC[C@H]1C[C@H](OCC[N+](C)(C)C)C2	ZINC001224770542	964933770	/nfs/dbraw/zinc/93/37/70/964933770.db2.gz	BIBJDLVXGAGEHK-CLLJXQQHSA-N	2	0	227.372	1.334	20	5		BDBDRP
[NH3+]C1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCC1	ZINC001246075221	987363781	/nfs/dbraw/zinc/36/37/81/987363781.db2.gz	JMCFHZLITMHUTE-GHMZBOCLSA-N	2	0	241.335	1.293	20	5		BDBDRP
C[C@H]([NH3+])CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001246306054	987704819	/nfs/dbraw/zinc/70/48/19/987704819.db2.gz	PGLALWSXHCNOEW-CABZTGNLSA-N	2	0	249.314	1.389	20	5		BDBDRP
C[C@@H]1CCN([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C[C@@H]1[NH3+]	ZINC001246564216	988019924	/nfs/dbraw/zinc/01/99/24/988019924.db2.gz	DPCZQCISRLJWKE-KKOKHZNYSA-N	2	0	241.335	1.101	20	5		BDBDRP
C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000521993112	259581230	/nfs/dbraw/zinc/58/12/30/259581230.db2.gz	CZPMIKDNXWWQOO-VHSXEESVSA-N	2	0	237.303	1.810	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+]Cc1cccc([N+](=O)[O-])c1	ZINC000309420191	384183440	/nfs/dbraw/zinc/18/34/40/384183440.db2.gz	XUQWAKSJMMZJJW-VIFPVBQESA-N	2	0	223.276	1.279	20	5		BDBDRP
C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000422951125	384488826	/nfs/dbraw/zinc/48/88/26/384488826.db2.gz	XQSMGDUBONRKBA-UWVGGRQHSA-N	2	0	237.303	1.810	20	5		BDBDRP
CC(C)([NH2+]CCC[NH3+])c1ccc([N+](=O)[O-])cc1	ZINC000414719601	386250962	/nfs/dbraw/zinc/25/09/62/386250962.db2.gz	ZAGVOXQEEUJFFN-UHFFFAOYSA-N	2	0	237.303	1.768	20	5		BDBDRP
[NH3+]C[C@H](NCc1ccc([N+](=O)[O-])cc1)C1CC1	ZINC000414813678	386636697	/nfs/dbraw/zinc/63/66/97/386636697.db2.gz	YPFJLVXZOZBJOT-LBPRGKRZSA-N	2	0	235.287	1.422	20	5		BDBDRP
O=[N+]([O-])c1ccccc1/C=C\CN[C@H]1CC[NH2+]C1	ZINC000414880729	387581620	/nfs/dbraw/zinc/58/16/20/387581620.db2.gz	KOHBPUPHCBJNJV-FHMRSRPSSA-N	2	0	247.298	1.560	20	5		BDBDRP
C[C@@H](CCC[NH3+])[NH2+]Cc1csc([N+](=O)[O-])c1	ZINC000415021862	387670007	/nfs/dbraw/zinc/67/00/07/387670007.db2.gz	LBMDQXYINNKUBE-QMMMGPOBSA-N	2	0	243.332	1.873	20	5		BDBDRP
[NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1	ZINC000415031556	387672297	/nfs/dbraw/zinc/67/22/97/387672297.db2.gz	HCFSODOWDLDFTP-PWSUYJOCSA-N	2	0	249.314	1.812	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1CN1C[C@H]([NH3+])[C@@H](C)C1	ZINC000261926613	135263506	/nfs/dbraw/zinc/26/35/06/135263506.db2.gz	CFYUBTZKFFBYOT-GWCFXTLKSA-N	2	0	249.314	1.682	20	5		BDBDRP
[NH3+]CC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1	ZINC000904363731	584874263	/nfs/dbraw/zinc/87/42/63/584874263.db2.gz	MTNMKSIPNYCTNM-UHFFFAOYSA-N	2	0	235.287	1.422	20	5		BDBDRP
C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc([N+](=O)[O-])cc1	ZINC000873258394	590012810	/nfs/dbraw/zinc/01/28/10/590012810.db2.gz	PKRBEUHAGBQBPN-CKYFFXLPSA-N	2	0	249.314	1.983	20	5		BDBDRP
C[NH+](C)CCC[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1	ZINC001169005244	969330813	/nfs/dbraw/zinc/33/08/13/969330813.db2.gz	AABYFPWVSGSUII-NEPJUHHUSA-N	2	0	243.351	1.315	20	5		BDBDRP
C[C@@H](C[NH3+])C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1	ZINC001254582739	969744409	/nfs/dbraw/zinc/74/44/09/969744409.db2.gz	WQEIDZRJRCNWTR-CABZTGNLSA-N	2	0	249.314	1.246	20	5		BDBDRP
O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C1	ZINC001246199314	987595982	/nfs/dbraw/zinc/59/59/82/987595982.db2.gz	UWMWDZGQKWADLM-IJLUTSLNSA-N	2	0	241.335	1.021	20	5		BDBDRP
C[NH2+]C[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1	ZINC000596103118	348439405	/nfs/dbraw/zinc/43/94/05/348439405.db2.gz	AITMLWKSAKZGCP-SNVBAGLBSA-N	2	0	237.303	1.601	20	5		BDBDRP
[NH3+]CC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000044511835	181365304	/nfs/dbraw/zinc/36/53/04/181365304.db2.gz	DVSDYUYOCDTUJT-UHFFFAOYSA-N	2	0	249.314	1.766	20	5		BDBDRP
Cc1cc([N+](=O)[O-])ccc1CNC[C@@H]1CCC[NH2+]1	ZINC000414843071	387374855	/nfs/dbraw/zinc/37/48/55/387374855.db2.gz	JHKJTJKLXSTNJY-LBPRGKRZSA-N	2	0	249.314	1.745	20	5		BDBDRP
C[C@H](CC[NH3+])[NH2+]Cc1ccc([N+](=O)[O-])cc1	ZINC000414889330	387590892	/nfs/dbraw/zinc/59/08/92/387590892.db2.gz	SKWKPPMPCNYJKB-SECBINFHSA-N	2	0	223.276	1.422	20	5		BDBDRP
[NH3+][C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1	ZINC000423018562	388686829	/nfs/dbraw/zinc/68/68/29/388686829.db2.gz	ZGBDBFLQJLARSG-OLZOCXBDSA-N	2	0	249.314	1.607	20	5		BDBDRP
C[C@H](NCC1([NH3+])CC1)c1ccc([N+](=O)[O-])cc1	ZINC000902414878	584600340	/nfs/dbraw/zinc/60/03/40/584600340.db2.gz	FOQZWEKOYWECHI-VIFPVBQESA-N	2	0	235.287	1.737	20	5		BDBDRP