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@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1	ZINC000181906419	529961111	/nfs/dbraw/zinc/96/11/11/529961111.db2.gz	DDZWXXWNGSTTTP-CABCVRRESA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1	ZINC000181906419	529961112	/nfs/dbraw/zinc/96/11/12/529961112.db2.gz	DDZWXXWNGSTTTP-CABCVRRESA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1	ZINC000181906419	529961114	/nfs/dbraw/zinc/96/11/14/529961114.db2.gz	DDZWXXWNGSTTTP-CABCVRRESA-N	2	1	337.420	1.608	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000261735693	139221891	/nfs/dbraw/zinc/22/18/91/139221891.db2.gz	NFPMJCKUELHQDK-LLVKDONJSA-N	2	1	340.811	1.535	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000261735693	139221892	/nfs/dbraw/zinc/22/18/92/139221892.db2.gz	NFPMJCKUELHQDK-LLVKDONJSA-N	2	1	340.811	1.535	20	5		EDBDMP
O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1	ZINC000262278407	139266092	/nfs/dbraw/zinc/26/60/92/139266092.db2.gz	UGVHXPOVMYBQOW-HOCLYGCPSA-N	2	1	346.431	1.675	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000090564491	441635915	/nfs/dbraw/zinc/63/59/15/441635915.db2.gz	LWIAVHIHKHOTNT-PBHICJAKSA-N	2	1	346.431	1.705	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000090564491	441635917	/nfs/dbraw/zinc/63/59/17/441635917.db2.gz	LWIAVHIHKHOTNT-PBHICJAKSA-N	2	1	346.431	1.705	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000090564491	441635920	/nfs/dbraw/zinc/63/59/20/441635920.db2.gz	LWIAVHIHKHOTNT-PBHICJAKSA-N	2	1	346.431	1.705	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000090564491	441635924	/nfs/dbraw/zinc/63/59/24/441635924.db2.gz	LWIAVHIHKHOTNT-PBHICJAKSA-N	2	1	346.431	1.705	20	5		EDBDMP
C[N@H+]1CCC[C@@H]1C(=O)N1CCN(CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000162575686	442105051	/nfs/dbraw/zinc/10/50/51/442105051.db2.gz	BDIYYDQDKJEPMU-QGZVFWFLSA-N	2	1	346.431	1.376	20	5		EDBDMP
O=[N+]([O-])c1ccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000594502553	449558580	/nfs/dbraw/zinc/55/85/80/449558580.db2.gz	KZWHKRTZYICUMA-INIZCTEOSA-N	2	1	335.404	1.817	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H](O)C[NH+]3CCCCC3)c2c1	ZINC000601104871	449691860	/nfs/dbraw/zinc/69/18/60/449691860.db2.gz	JWQFBGGYJPSHKP-CQSZACIVSA-N	2	1	330.388	1.824	20	5		EDBDMP
C[N@@H+](CCC(=O)Nc1cc([N+](=O)[O-])ccc1F)CC(C)(C)C[NH3+]	ZINC000843354929	595085515	/nfs/dbraw/zinc/08/55/15/595085515.db2.gz	MBUSZKBKLOGOQK-UHFFFAOYSA-N	2	1	326.372	1.979	20	5		EDBDMP
C[NH+](C)[C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1	ZINC000870926388	596408679	/nfs/dbraw/zinc/40/86/79/596408679.db2.gz	BGMLRDYFFGFCFJ-PBHICJAKSA-N	2	1	334.420	1.711	20	5		EDBDMP
COc1cc(C[NH2+]C[C@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F	ZINC000414873235	250872924	/nfs/dbraw/zinc/87/29/24/250872924.db2.gz	GUCCQJRKWLCCOJ-SECBINFHSA-N	2	1	333.335	1.932	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1	ZINC000351863739	445347031	/nfs/dbraw/zinc/34/70/31/445347031.db2.gz	UUFQZSMHOGMAHN-RYUDHWBXSA-N	2	1	336.392	1.601	20	5		EDBDMP
CN1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000363054135	445663270	/nfs/dbraw/zinc/66/32/70/445663270.db2.gz	QKJUUIUGARTIJG-OAHLLOKOSA-N	2	1	346.431	1.422	20	5		EDBDMP
C[NH+]1CCC(N2CC[C@@H](NC(=O)Cc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000363054135	445663274	/nfs/dbraw/zinc/66/32/74/445663274.db2.gz	QKJUUIUGARTIJG-OAHLLOKOSA-N	2	1	346.431	1.422	20	5		EDBDMP
[NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2	ZINC000593733242	449167579	/nfs/dbraw/zinc/16/75/79/449167579.db2.gz	JRSUKEMLGISMLF-XCRHUMRWSA-N	2	1	344.415	1.761	20	5		EDBDMP
O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1	ZINC000600681166	449488170	/nfs/dbraw/zinc/48/81/70/449488170.db2.gz	XQTBGOVKBOFBCS-QTLSWZBMSA-N	2	1	328.376	1.524	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1	ZINC000602814258	449828267	/nfs/dbraw/zinc/82/82/67/449828267.db2.gz	YSEZUNCVABIQAE-DZGCQCFKSA-N	2	1	339.440	1.555	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)c1ccccc1[N+](=O)[O-])C2	ZINC000903492268	592184915	/nfs/dbraw/zinc/18/49/15/592184915.db2.gz	KWHFKVCXDICGFM-JRATXPSKSA-N	2	1	333.388	1.868	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C)c1cccc([N+](=O)[O-])c1)C2	ZINC000903493375	592185715	/nfs/dbraw/zinc/18/57/15/592185715.db2.gz	WJECKNXVFDKIMU-DPYKFYPSSA-N	2	1	333.388	1.868	20	5		EDBDMP
CN(C)Cc1csc(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)n1	ZINC000905528084	592562531	/nfs/dbraw/zinc/56/25/31/592562531.db2.gz	DEMAGMZIXWDRTM-AWEZNQCLSA-N	2	1	336.417	1.936	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C	ZINC000563350346	306328817	/nfs/dbraw/zinc/32/88/17/306328817.db2.gz	WZKDKAZCCOWQBA-VXGBXAGGSA-N	2	1	336.392	1.744	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C	ZINC000563350342	306329086	/nfs/dbraw/zinc/32/90/86/306329086.db2.gz	WZKDKAZCCOWQBA-NEPJUHHUSA-N	2	1	336.392	1.744	20	5		EDBDMP
CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000107368265	204233507	/nfs/dbraw/zinc/23/35/07/204233507.db2.gz	ZJGJEUAMCDEIIZ-QGZVFWFLSA-N	2	1	348.447	1.685	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270496	273185527	/nfs/dbraw/zinc/18/55/27/273185527.db2.gz	RQEUVEUDQJWODC-HUUCEWRRSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270496	273185529	/nfs/dbraw/zinc/18/55/29/273185529.db2.gz	RQEUVEUDQJWODC-HUUCEWRRSA-N	2	1	337.420	1.751	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000428032581	305004624	/nfs/dbraw/zinc/00/46/24/305004624.db2.gz	KJMLAUBTSQPNFD-JSGCOSHPSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000428032581	305004625	/nfs/dbraw/zinc/00/46/25/305004625.db2.gz	KJMLAUBTSQPNFD-JSGCOSHPSA-N	2	1	348.403	1.616	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428045807	305005566	/nfs/dbraw/zinc/00/55/66/305005566.db2.gz	RKEUAQOAQFABRO-JSGCOSHPSA-N	2	1	346.387	1.577	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428045807	305005567	/nfs/dbraw/zinc/00/55/67/305005567.db2.gz	RKEUAQOAQFABRO-JSGCOSHPSA-N	2	1	346.387	1.577	20	5		EDBDMP
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430619266	305059310	/nfs/dbraw/zinc/05/93/10/305059310.db2.gz	AYNPDBWTPKMTQH-CABCVRRESA-N	2	1	346.431	1.800	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000136307810	442659252	/nfs/dbraw/zinc/65/92/52/442659252.db2.gz	ZSWKTDDJMISCKB-INIZCTEOSA-N	2	1	348.403	1.862	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000136307810	442659254	/nfs/dbraw/zinc/65/92/54/442659254.db2.gz	ZSWKTDDJMISCKB-INIZCTEOSA-N	2	1	348.403	1.862	20	5		EDBDMP
C[C@@]1(C[NH3+])CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000337738153	444382385	/nfs/dbraw/zinc/38/23/85/444382385.db2.gz	BOOGNXRSRGHNFU-INIZCTEOSA-N	2	1	334.376	1.564	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000357094074	445424938	/nfs/dbraw/zinc/42/49/38/445424938.db2.gz	YBEYWVKUXZCSSL-KGLIPLIRSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000357094074	445424942	/nfs/dbraw/zinc/42/49/42/445424942.db2.gz	YBEYWVKUXZCSSL-KGLIPLIRSA-N	2	1	332.404	1.773	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)[C@@H](C[NH3+])C1CC1	ZINC000420314430	446480184	/nfs/dbraw/zinc/48/01/84/446480184.db2.gz	KXEPHHSJSQPMBP-AWEZNQCLSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)[C@@H](C[NH3+])C1CC1	ZINC000420314430	446480187	/nfs/dbraw/zinc/48/01/87/446480187.db2.gz	KXEPHHSJSQPMBP-AWEZNQCLSA-N	2	1	336.392	1.601	20	5		EDBDMP
CC[NH+]1CCC([N@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1	ZINC000371260653	446721798	/nfs/dbraw/zinc/72/17/98/446721798.db2.gz	PHNCSTQFJOMKAE-MRXNPFEDSA-N	2	1	337.424	1.101	20	5		EDBDMP
CC[NH+]1CCC([N@@H+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1	ZINC000371260653	446721803	/nfs/dbraw/zinc/72/18/03/446721803.db2.gz	PHNCSTQFJOMKAE-MRXNPFEDSA-N	2	1	337.424	1.101	20	5		EDBDMP
O=[N+]([O-])c1cc2c(cc1C[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCO2	ZINC000592433591	448835839	/nfs/dbraw/zinc/83/58/39/448835839.db2.gz	IUWWEKWSEWVKMZ-BETUJISGSA-N	2	1	333.388	1.797	20	5		EDBDMP
C[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1	ZINC000903988008	592406088	/nfs/dbraw/zinc/40/60/88/592406088.db2.gz	MLPFYMWFZXICNE-WFASDCNBSA-N	2	1	330.392	1.962	20	5		EDBDMP
C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C	ZINC000819287663	593748449	/nfs/dbraw/zinc/74/84/49/593748449.db2.gz	QKOLGXUPSFZQAJ-MRXNPFEDSA-N	2	1	336.436	1.244	20	5		EDBDMP
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1	ZINC000852742566	596237193	/nfs/dbraw/zinc/23/71/93/596237193.db2.gz	KZNJYFBPOFQNIG-INIZCTEOSA-N	2	1	332.404	1.238	20	5		EDBDMP
C[NH+]1CCN(C2CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000879593602	597650045	/nfs/dbraw/zinc/65/00/45/597650045.db2.gz	HMJYONOALFPCAD-GOSISDBHSA-N	2	1	348.447	1.340	20	5		EDBDMP
Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000536069269	306019377	/nfs/dbraw/zinc/01/93/77/306019377.db2.gz	YIIBCZBWZSFOLM-ZFWWWQNUSA-N	2	1	346.387	1.558	20	5		EDBDMP
Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000580423249	322048734	/nfs/dbraw/zinc/04/87/34/322048734.db2.gz	KVOLIIGSEPQJRU-CJNGLKHVSA-N	2	1	348.403	1.765	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357077314	445411418	/nfs/dbraw/zinc/41/14/18/445411418.db2.gz	ARPYMJWFPIRGNM-STQMWFEESA-N	2	1	346.387	1.434	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357077314	445411422	/nfs/dbraw/zinc/41/14/22/445411422.db2.gz	ARPYMJWFPIRGNM-STQMWFEESA-N	2	1	346.387	1.434	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1CC[NH2+]CC1	ZINC000420265102	446437760	/nfs/dbraw/zinc/43/77/60/446437760.db2.gz	BCGODPVXNXEYAA-UHFFFAOYSA-N	2	1	336.392	1.616	20	5		EDBDMP
[NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)nn1	ZINC000420390777	446567631	/nfs/dbraw/zinc/56/76/31/446567631.db2.gz	ZWCWUFLKOHROME-AWEZNQCLSA-N	2	1	346.391	1.361	20	5		EDBDMP
C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000584346575	448491277	/nfs/dbraw/zinc/49/12/77/448491277.db2.gz	QGZMSAMKFXFFHH-ZBFHGGJFSA-N	2	1	337.420	1.656	20	5		EDBDMP
O=C(CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000575117104	449039567	/nfs/dbraw/zinc/03/95/67/449039567.db2.gz	ZWLDGCPQBMYZQZ-CYBMUJFWSA-N	2	1	332.404	1.997	20	5		EDBDMP
O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1	ZINC000600681213	449487795	/nfs/dbraw/zinc/48/77/95/449487795.db2.gz	XQTBGOVKBOFBCS-UJAVWCLSSA-N	2	1	328.376	1.524	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1	ZINC000420287992	292294957	/nfs/dbraw/zinc/29/49/57/292294957.db2.gz	GWUHUPYVYDDVKQ-KGLIPLIRSA-N	2	1	334.420	1.751	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1	ZINC000430552920	274118683	/nfs/dbraw/zinc/11/86/83/274118683.db2.gz	OCDVSRPBOFXZSP-INIZCTEOSA-N	2	1	336.392	1.649	20	5		EDBDMP
CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1	ZINC000178673228	442454770	/nfs/dbraw/zinc/45/47/70/442454770.db2.gz	HBNVEKBVNHHADS-INIZCTEOSA-N	2	1	334.420	1.800	20	5		EDBDMP
CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)c1	ZINC000568741387	321304155	/nfs/dbraw/zinc/30/41/55/321304155.db2.gz	SMRGJCPGYOHBSN-QGZVFWFLSA-N	2	1	347.419	1.394	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000342091005	445166960	/nfs/dbraw/zinc/16/69/60/445166960.db2.gz	CIJNNMWVSRHHFK-GUYJKWIASA-N	2	1	332.404	1.981	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000342091005	445166966	/nfs/dbraw/zinc/16/69/66/445166966.db2.gz	CIJNNMWVSRHHFK-GUYJKWIASA-N	2	1	332.404	1.981	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357085570	445417664	/nfs/dbraw/zinc/41/76/64/445417664.db2.gz	KXWJODUEPJWAAN-STQMWFEESA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357085570	445417670	/nfs/dbraw/zinc/41/76/70/445417670.db2.gz	KXWJODUEPJWAAN-STQMWFEESA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1	ZINC000351487860	446090414	/nfs/dbraw/zinc/09/04/14/446090414.db2.gz	CYBDKBNGQVSZJE-UBHSHLNASA-N	2	1	348.403	1.601	20	5		EDBDMP
O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000420339019	446510352	/nfs/dbraw/zinc/51/03/52/446510352.db2.gz	LLVJOQGMQDQNGY-KGLIPLIRSA-N	2	1	332.404	1.855	20	5		EDBDMP
Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000517127034	448540508	/nfs/dbraw/zinc/54/05/08/448540508.db2.gz	JNWXGNWWEZMUCI-HIFRSBDPSA-N	2	1	348.403	1.765	20	5		EDBDMP
CCO[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C[NH3+]	ZINC000593736710	449170851	/nfs/dbraw/zinc/17/08/51/449170851.db2.gz	FCQAIQCNRGKMBE-MLGOLLRUSA-N	2	1	339.392	1.278	20	5		EDBDMP
CCO[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])C[C@H]1C[NH3+]	ZINC000593736710	449170856	/nfs/dbraw/zinc/17/08/56/449170856.db2.gz	FCQAIQCNRGKMBE-MLGOLLRUSA-N	2	1	339.392	1.278	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000601665377	450152912	/nfs/dbraw/zinc/15/29/12/450152912.db2.gz	WAJNRBGCYRBBKL-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cccc1[N+](=O)[O-]	ZINC000601665377	450152916	/nfs/dbraw/zinc/15/29/16/450152916.db2.gz	WAJNRBGCYRBBKL-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2F)C1	ZINC000779649670	580492817	/nfs/dbraw/zinc/49/28/17/580492817.db2.gz	KDMZOCQOMGKBMJ-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2F)C1	ZINC000779649670	580492818	/nfs/dbraw/zinc/49/28/18/580492818.db2.gz	KDMZOCQOMGKBMJ-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
O=[N+]([O-])c1ccccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1	ZINC000903510841	592190523	/nfs/dbraw/zinc/19/05/23/592190523.db2.gz	LVXAVJDXVIZBIB-CALCHBBNSA-N	2	1	330.432	1.995	20	5		EDBDMP
O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1	ZINC000262256482	139264126	/nfs/dbraw/zinc/26/41/26/139264126.db2.gz	QSTUNCWDPNVVNG-RDJZCZTQSA-N	2	1	346.431	1.675	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1	ZINC000360561850	152097701	/nfs/dbraw/zinc/09/77/01/152097701.db2.gz	KEILSCNSYSVMAD-QGZVFWFLSA-N	2	1	348.403	1.617	20	5		EDBDMP
O=[N+]([O-])c1cnn(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1	ZINC000280538225	273368530	/nfs/dbraw/zinc/36/85/30/273368530.db2.gz	SVXZWRCQFZQZCY-CALCHBBNSA-N	2	1	341.415	1.855	20	5		EDBDMP
C[N@H+]1CC[C@@]2(CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264924	289301720	/nfs/dbraw/zinc/30/17/20/289301720.db2.gz	ZBBSGHLNYYKIIF-NVXWUHKLSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264924	289301722	/nfs/dbraw/zinc/30/17/22/289301722.db2.gz	ZBBSGHLNYYKIIF-NVXWUHKLSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264924	289301724	/nfs/dbraw/zinc/30/17/24/289301724.db2.gz	ZBBSGHLNYYKIIF-NVXWUHKLSA-N	2	1	335.404	1.362	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428044902	305005375	/nfs/dbraw/zinc/00/53/75/305005375.db2.gz	NXUUOYOREMKCAJ-BBRMVZONSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428044902	305005376	/nfs/dbraw/zinc/00/53/76/305005376.db2.gz	NXUUOYOREMKCAJ-BBRMVZONSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000357094436	445424855	/nfs/dbraw/zinc/42/48/55/445424855.db2.gz	ZQOHPVDPZKYCAK-KBPBESRZSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000357094436	445424859	/nfs/dbraw/zinc/42/48/59/445424859.db2.gz	ZQOHPVDPZKYCAK-KBPBESRZSA-N	2	1	332.404	1.773	20	5		EDBDMP
NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1	ZINC000420344947	446516648	/nfs/dbraw/zinc/51/66/48/446516648.db2.gz	VCIAWEHIMLGZKJ-UONOGXRCSA-N	2	1	332.404	1.515	20	5		EDBDMP
C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000582854245	448361660	/nfs/dbraw/zinc/36/16/60/448361660.db2.gz	UGOUUZYXJGNAJG-RYUDHWBXSA-N	2	1	334.376	1.704	20	5		EDBDMP
C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000582854245	448361667	/nfs/dbraw/zinc/36/16/67/448361667.db2.gz	UGOUUZYXJGNAJG-RYUDHWBXSA-N	2	1	334.376	1.704	20	5		EDBDMP
Cn1cc[nH+]c1[C@@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1	ZINC000794637623	580901133	/nfs/dbraw/zinc/90/11/33/580901133.db2.gz	YZCGTCUXFLFALX-LLVKDONJSA-N	2	1	343.343	1.683	20	5		EDBDMP
CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1	ZINC000905701995	592615854	/nfs/dbraw/zinc/61/58/54/592615854.db2.gz	BXQRLOVQXMUWGE-GASCZTMLSA-N	2	1	348.451	1.525	20	5		EDBDMP
CCn1nc(C)c([N+](=O)[O-])c1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1	ZINC000905701995	592615856	/nfs/dbraw/zinc/61/58/56/592615856.db2.gz	BXQRLOVQXMUWGE-GASCZTMLSA-N	2	1	348.451	1.525	20	5		EDBDMP
[NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1	ZINC000842479437	595116361	/nfs/dbraw/zinc/11/63/61/595116361.db2.gz	SJFQSNCUNKSHAU-LBPRGKRZSA-N	2	1	340.355	1.112	20	5		EDBDMP
[NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1	ZINC000842479437	595116362	/nfs/dbraw/zinc/11/63/62/595116362.db2.gz	SJFQSNCUNKSHAU-LBPRGKRZSA-N	2	1	340.355	1.112	20	5		EDBDMP
O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)C2)c1	ZINC000877030519	597416418	/nfs/dbraw/zinc/41/64/18/597416418.db2.gz	FCYOFEFCUYURJA-VMBOVVBDSA-N	2	1	349.435	1.728	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000248467461	139165516	/nfs/dbraw/zinc/16/55/16/139165516.db2.gz	STUDXHNJTZOHLM-HOTGVXAUSA-N	2	1	349.431	1.752	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1	ZINC000248467461	139165517	/nfs/dbraw/zinc/16/55/17/139165517.db2.gz	STUDXHNJTZOHLM-HOTGVXAUSA-N	2	1	349.431	1.752	20	5		EDBDMP
O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1	ZINC000262278405	139265986	/nfs/dbraw/zinc/26/59/86/139265986.db2.gz	UGVHXPOVMYBQOW-GOEBONIOSA-N	2	1	346.431	1.675	20	5		EDBDMP
CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000420357906	251697897	/nfs/dbraw/zinc/69/78/97/251697897.db2.gz	ICDKJTDEVCDQKD-CQSZACIVSA-N	2	1	336.392	1.856	20	5		EDBDMP
CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1C	ZINC000423509199	252055813	/nfs/dbraw/zinc/05/58/13/252055813.db2.gz	IXGKWKDBTJCYOL-UONOGXRCSA-N	2	1	338.477	1.959	20	5		EDBDMP
C[C@H]1C[C@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C	ZINC000123085357	441875179	/nfs/dbraw/zinc/87/51/79/441875179.db2.gz	MZWYQDGKYBKCQD-DZGCQCFKSA-N	2	1	346.431	1.898	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000182227494	442747551	/nfs/dbraw/zinc/74/75/51/442747551.db2.gz	XICXPJFQMIZUME-HNNXBMFYSA-N	2	1	348.403	1.862	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000182227494	442747553	/nfs/dbraw/zinc/74/75/53/442747553.db2.gz	XICXPJFQMIZUME-HNNXBMFYSA-N	2	1	348.403	1.862	20	5		EDBDMP
O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc([N+](=O)[O-])cc1	ZINC000581369931	322169574	/nfs/dbraw/zinc/16/95/74/322169574.db2.gz	BWVMNHCRXXKFSA-QGZVFWFLSA-N	2	1	332.404	1.999	20	5		EDBDMP
C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+]	ZINC000420409696	446583491	/nfs/dbraw/zinc/58/34/91/446583491.db2.gz	QOGNNTOFULVPSX-CHWSQXEVSA-N	2	1	348.403	1.810	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C	ZINC000442770544	446961573	/nfs/dbraw/zinc/96/15/73/446961573.db2.gz	XWALPVJMZZSUFS-RYUDHWBXSA-N	2	1	336.392	1.601	20	5		EDBDMP
[NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000443057884	446999903	/nfs/dbraw/zinc/99/99/03/446999903.db2.gz	IPHKHBHAXRLEEU-CJNGLKHVSA-N	2	1	332.404	1.761	20	5		EDBDMP
C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000572869852	448486225	/nfs/dbraw/zinc/48/62/25/448486225.db2.gz	UBHKNMAIRBSNTH-GOEBONIOSA-N	2	1	339.440	1.396	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1	ZINC000843073743	595281207	/nfs/dbraw/zinc/28/12/07/595281207.db2.gz	UNPFBBOCLCMYEO-DLBZAZTESA-N	2	1	337.420	1.455	20	5		EDBDMP
C[NH+](C)CC1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1	ZINC000870893627	596393365	/nfs/dbraw/zinc/39/33/65/596393365.db2.gz	ZZLMVZRXHHMWEL-KRWDZBQOSA-N	2	1	334.420	1.569	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c2c1	ZINC000865484765	596588091	/nfs/dbraw/zinc/58/80/91/596588091.db2.gz	ISILLXAVMVEBGI-KGLIPLIRSA-N	2	1	328.372	1.840	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2c1	ZINC000865484765	596588092	/nfs/dbraw/zinc/58/80/92/596588092.db2.gz	ISILLXAVMVEBGI-KGLIPLIRSA-N	2	1	328.372	1.840	20	5		EDBDMP
C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC[NH+](C)CC1	ZINC000878565716	597637534	/nfs/dbraw/zinc/63/75/34/597637534.db2.gz	OQABMKRJUUIUOH-UHFFFAOYSA-N	2	1	334.420	1.280	20	5		EDBDMP
C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC(=O)NC1CC[NH+](C)CC1	ZINC000878565716	597637537	/nfs/dbraw/zinc/63/75/37/597637537.db2.gz	OQABMKRJUUIUOH-UHFFFAOYSA-N	2	1	334.420	1.280	20	5		EDBDMP
O=[N+]([O-])c1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(F)c1	ZINC000415134886	304162980	/nfs/dbraw/zinc/16/29/80/304162980.db2.gz	FKYOMKUCWGLYSD-ZBFHGGJFSA-N	2	1	335.379	1.934	20	5		EDBDMP
[NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000262142844	139254656	/nfs/dbraw/zinc/25/46/56/139254656.db2.gz	ZFXWVNRWEBJMEY-BIENSFFJSA-N	2	1	346.431	1.928	20	5		EDBDMP
[NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000262142844	139254657	/nfs/dbraw/zinc/25/46/57/139254657.db2.gz	ZFXWVNRWEBJMEY-BIENSFFJSA-N	2	1	346.431	1.928	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345056	273190636	/nfs/dbraw/zinc/19/06/36/273190636.db2.gz	WIYJEERHDFMZLU-GOEBONIOSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345056	273190637	/nfs/dbraw/zinc/19/06/37/273190637.db2.gz	WIYJEERHDFMZLU-GOEBONIOSA-N	2	1	337.420	1.751	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1	ZINC000430939017	305069384	/nfs/dbraw/zinc/06/93/84/305069384.db2.gz	JYDUVCIVPLWQNL-WCQYABFASA-N	2	1	336.392	1.601	20	5		EDBDMP
C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1	ZINC000430972144	305071825	/nfs/dbraw/zinc/07/18/25/305071825.db2.gz	REGGHQNEBDHIKN-LBPRGKRZSA-N	2	1	336.392	1.473	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1	ZINC000581602793	322197526	/nfs/dbraw/zinc/19/75/26/322197526.db2.gz	QOUYLDLUAORYMP-MRXNPFEDSA-N	2	1	335.404	1.551	20	5		EDBDMP
O=C1[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCN1c1cccc([N+](=O)[O-])c1	ZINC000363069738	445666704	/nfs/dbraw/zinc/66/67/04/445666704.db2.gz	YOFJFJNXNJWNCV-SWLSCSKDSA-N	2	1	341.371	1.501	20	5		EDBDMP
[NH3+]Cc1cn([C@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1	ZINC000420385522	446561271	/nfs/dbraw/zinc/56/12/71/446561271.db2.gz	SYSFLFMLASXWAD-INIZCTEOSA-N	2	1	330.392	1.525	20	5		EDBDMP
[NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)nn1	ZINC000420390781	446566077	/nfs/dbraw/zinc/56/60/77/446566077.db2.gz	ZWCWUFLKOHROME-CQSZACIVSA-N	2	1	346.391	1.361	20	5		EDBDMP
CC[N@@H+](C)C[C@@H](O)CN1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1	ZINC000573860357	448731396	/nfs/dbraw/zinc/73/13/96/448731396.db2.gz	SLARPIKALBXFPI-OAHLLOKOSA-N	2	1	337.420	1.751	20	5		EDBDMP
Cn1cc(C[N@@H+](C)CCOCC[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000600778306	449544802	/nfs/dbraw/zinc/54/48/02/449544802.db2.gz	XYVJZHPVKKNJFO-UHFFFAOYSA-N	2	1	333.392	1.402	20	5		EDBDMP
CC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1	ZINC000602520247	449646894	/nfs/dbraw/zinc/64/68/94/449646894.db2.gz	LUTXYZQTMCAVDN-CQSZACIVSA-N	2	1	333.436	1.890	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CC[N@@H+](C)[C@H]3C)c2[N+](=O)[O-])CC[NH+]1C	ZINC000895734851	591264594	/nfs/dbraw/zinc/26/45/94/591264594.db2.gz	ANXPXQDUKQATTI-MPZDIEGVSA-N	2	1	349.439	1.394	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CC[NH+](C)[C@H]3C)c2[N+](=O)[O-])CC[N@@H+]1C	ZINC000895734851	591264596	/nfs/dbraw/zinc/26/45/96/591264596.db2.gz	ANXPXQDUKQATTI-MPZDIEGVSA-N	2	1	349.439	1.394	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncnc(N[C@H]3CC[NH+](C)[C@H]3C)c2[N+](=O)[O-])CC[N@H+]1C	ZINC000895734851	591264597	/nfs/dbraw/zinc/26/45/97/591264597.db2.gz	ANXPXQDUKQATTI-MPZDIEGVSA-N	2	1	349.439	1.394	20	5		EDBDMP
C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1[C@H]1CCC[NH2+]C1	ZINC000903916298	592389011	/nfs/dbraw/zinc/38/90/11/592389011.db2.gz	GSPYNYBNMRJROV-INIZCTEOSA-N	2	1	344.419	1.785	20	5		EDBDMP
C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1[C@H]1CCC[NH2+]C1	ZINC000903916298	592389015	/nfs/dbraw/zinc/38/90/15/592389015.db2.gz	GSPYNYBNMRJROV-INIZCTEOSA-N	2	1	344.419	1.785	20	5		EDBDMP
O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000843386437	595096648	/nfs/dbraw/zinc/09/66/48/595096648.db2.gz	IWJQKWJYDOWODR-RISCZKNCSA-N	2	1	336.367	1.746	20	5		EDBDMP
O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000843386437	595096651	/nfs/dbraw/zinc/09/66/51/595096651.db2.gz	IWJQKWJYDOWODR-RISCZKNCSA-N	2	1	336.367	1.746	20	5		EDBDMP
CN(CC1CC[NH+](C)CC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000870881602	596388168	/nfs/dbraw/zinc/38/81/68/596388168.db2.gz	CAFNMUJNJRCOEF-QGZVFWFLSA-N	2	1	334.420	1.569	20	5		EDBDMP
CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895134	596394013	/nfs/dbraw/zinc/39/40/13/596394013.db2.gz	WNJGXTKFNZBWQK-KBXCAEBGSA-N	2	1	348.447	1.959	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575778	597639186	/nfs/dbraw/zinc/63/91/86/597639186.db2.gz	OVVBMZDGWFNTHX-HIFRSBDPSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575778	597639188	/nfs/dbraw/zinc/63/91/88/597639188.db2.gz	OVVBMZDGWFNTHX-HIFRSBDPSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575778	597639189	/nfs/dbraw/zinc/63/91/89/597639189.db2.gz	OVVBMZDGWFNTHX-HIFRSBDPSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575778	597639191	/nfs/dbraw/zinc/63/91/91/597639191.db2.gz	OVVBMZDGWFNTHX-HIFRSBDPSA-N	2	1	332.404	1.949	20	5		EDBDMP
CC[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@@H+]2CC)ncc1[N+](=O)[O-]	ZINC000882958852	598117022	/nfs/dbraw/zinc/11/70/22/598117022.db2.gz	MLGGDGYQXLJQBM-QWHCGFSZSA-N	2	1	349.439	1.397	20	5		EDBDMP
CC[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2CC)n1	ZINC000882958852	598117024	/nfs/dbraw/zinc/11/70/24/598117024.db2.gz	MLGGDGYQXLJQBM-QWHCGFSZSA-N	2	1	349.439	1.397	20	5		EDBDMP
CC[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2CC)n1	ZINC000882958852	598117028	/nfs/dbraw/zinc/11/70/28/598117028.db2.gz	MLGGDGYQXLJQBM-QWHCGFSZSA-N	2	1	349.439	1.397	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345054	273190625	/nfs/dbraw/zinc/19/06/25/273190625.db2.gz	WIYJEERHDFMZLU-GDBMZVCRSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345054	273190627	/nfs/dbraw/zinc/19/06/27/273190627.db2.gz	WIYJEERHDFMZLU-GDBMZVCRSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430619276	305059404	/nfs/dbraw/zinc/05/94/04/305059404.db2.gz	AYNPDBWTPKMTQH-LSDHHAIUSA-N	2	1	346.431	1.800	20	5		EDBDMP
C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+]	ZINC000430957613	305070712	/nfs/dbraw/zinc/07/07/12/305070712.db2.gz	TUYZXOZIWQLZJX-WCQYABFASA-N	2	1	334.376	1.562	20	5		EDBDMP
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358503702	319112679	/nfs/dbraw/zinc/11/26/79/319112679.db2.gz	FFRSNDIVIIXDQO-ZDUSSCGKSA-N	2	1	332.404	1.997	20	5		EDBDMP
C[N@H+]1CCCC[C@@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000298041455	444395284	/nfs/dbraw/zinc/39/52/84/444395284.db2.gz	HIPVKPRZICWTHE-OAHLLOKOSA-N	2	1	333.436	1.986	20	5		EDBDMP
Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000580423251	322048553	/nfs/dbraw/zinc/04/85/53/322048553.db2.gz	KVOLIIGSEPQJRU-XJKSGUPXSA-N	2	1	348.403	1.765	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2	ZINC000420322822	446490153	/nfs/dbraw/zinc/49/01/53/446490153.db2.gz	FNJBRTCXXLIWMU-AWEZNQCLSA-N	2	1	335.404	1.791	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2	ZINC000420322822	446490159	/nfs/dbraw/zinc/49/01/59/446490159.db2.gz	FNJBRTCXXLIWMU-AWEZNQCLSA-N	2	1	335.404	1.791	20	5		EDBDMP
O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000420339021	446509682	/nfs/dbraw/zinc/50/96/82/446509682.db2.gz	LLVJOQGMQDQNGY-ZIAGYGMSSA-N	2	1	332.404	1.855	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@@H](C[NH3+])C1	ZINC000420390017	446565250	/nfs/dbraw/zinc/56/52/50/446565250.db2.gz	MYRNVHDKEHIFMR-AWEZNQCLSA-N	2	1	336.392	1.281	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCO[C@@H](C[NH3+])C1	ZINC000420390017	446565258	/nfs/dbraw/zinc/56/52/58/446565258.db2.gz	MYRNVHDKEHIFMR-AWEZNQCLSA-N	2	1	336.392	1.281	20	5		EDBDMP
NC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([N+](=O)[O-])c1	ZINC000420344946	446517614	/nfs/dbraw/zinc/51/76/14/446517614.db2.gz	VCIAWEHIMLGZKJ-KGLIPLIRSA-N	2	1	332.404	1.515	20	5		EDBDMP
Cc1sc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000597942942	449152837	/nfs/dbraw/zinc/15/28/37/449152837.db2.gz	QMOPOUWTQVALHU-NSHDSACASA-N	2	1	342.465	1.967	20	5		EDBDMP
Cc1sc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000597942942	449152840	/nfs/dbraw/zinc/15/28/40/449152840.db2.gz	QMOPOUWTQVALHU-NSHDSACASA-N	2	1	342.465	1.967	20	5		EDBDMP
Cc1noc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1[N+](=O)[O-]	ZINC000595392493	450106609	/nfs/dbraw/zinc/10/66/09/450106609.db2.gz	HRPVDCSYIDIVTM-YIONKMFJSA-N	2	1	349.435	1.634	20	5		EDBDMP
C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505828	450192449	/nfs/dbraw/zinc/19/24/49/450192449.db2.gz	ZCWSWESBCYZBMK-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505828	450192456	/nfs/dbraw/zinc/19/24/56/450192456.db2.gz	ZCWSWESBCYZBMK-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505828	450192459	/nfs/dbraw/zinc/19/24/59/450192459.db2.gz	ZCWSWESBCYZBMK-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505828	450192465	/nfs/dbraw/zinc/19/24/65/450192465.db2.gz	ZCWSWESBCYZBMK-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1	ZINC000843072032	595280411	/nfs/dbraw/zinc/28/04/11/595280411.db2.gz	DWWCPQPMQIAHKF-IRXDYDNUSA-N	2	1	337.420	1.455	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)c([N+](=O)[O-])c1	ZINC000565157902	306376430	/nfs/dbraw/zinc/37/64/30/306376430.db2.gz	QTTRWKRCOBPXPY-NEPJUHHUSA-N	2	1	336.392	1.744	20	5		EDBDMP
COc1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-]	ZINC000415119962	304161129	/nfs/dbraw/zinc/16/11/29/304161129.db2.gz	FOVTZQVTFYCGQE-AWEZNQCLSA-N	2	1	346.391	1.491	20	5		EDBDMP
COc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-]	ZINC000415119962	304161131	/nfs/dbraw/zinc/16/11/31/304161131.db2.gz	FOVTZQVTFYCGQE-AWEZNQCLSA-N	2	1	346.391	1.491	20	5		EDBDMP
O=[N+]([O-])c1ccn(CC[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)n1	ZINC000432077559	305086816	/nfs/dbraw/zinc/08/68/16/305086816.db2.gz	JOUDQFOQLQAYGJ-CYBMUJFWSA-N	2	1	330.392	1.814	20	5		EDBDMP
COc1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])cc1OC	ZINC000415011039	319345506	/nfs/dbraw/zinc/34/55/06/319345506.db2.gz	VSDYLUMNZQUCJV-NSHDSACASA-N	2	1	345.346	1.946	20	5		EDBDMP
CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000342361270	444654874	/nfs/dbraw/zinc/65/48/74/444654874.db2.gz	SLOFWKRIENOWPJ-OAHLLOKOSA-N	2	1	337.420	1.751	20	5		EDBDMP
CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000342361270	444654879	/nfs/dbraw/zinc/65/48/79/444654879.db2.gz	SLOFWKRIENOWPJ-OAHLLOKOSA-N	2	1	337.420	1.751	20	5		EDBDMP
COc1ccc(NC(=O)CC[NH2+][C@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1	ZINC000420287667	446453329	/nfs/dbraw/zinc/45/33/29/446453329.db2.gz	IILPCKUGHHHIBV-MRXNPFEDSA-N	2	1	336.392	1.649	20	5		EDBDMP
COc1ccc(NC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C)c([N+](=O)[O-])c1	ZINC000420352444	446532271	/nfs/dbraw/zinc/53/22/71/446532271.db2.gz	AHFDDJNIIREMCJ-AWEZNQCLSA-N	2	1	338.408	1.895	20	5		EDBDMP
C[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@H]1C[NH3+]	ZINC000420409698	446583724	/nfs/dbraw/zinc/58/37/24/446583724.db2.gz	QOGNNTOFULVPSX-QWHCGFSZSA-N	2	1	348.403	1.810	20	5		EDBDMP
C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426952	536394761	/nfs/dbraw/zinc/39/47/61/536394761.db2.gz	DEUUYEYLTICIAI-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426952	536394763	/nfs/dbraw/zinc/39/47/63/536394763.db2.gz	DEUUYEYLTICIAI-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426952	536394767	/nfs/dbraw/zinc/39/47/67/536394767.db2.gz	DEUUYEYLTICIAI-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426952	536394769	/nfs/dbraw/zinc/39/47/69/536394769.db2.gz	DEUUYEYLTICIAI-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC2(CC[N@@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000899909583	591976323	/nfs/dbraw/zinc/97/63/23/591976323.db2.gz	DDUVLRJFFNOYEC-CQSZACIVSA-N	2	1	335.404	1.505	20	5		EDBDMP
C[NH+]1CCC2(CC[N@H+]2C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000899909583	591976325	/nfs/dbraw/zinc/97/63/25/591976325.db2.gz	DDUVLRJFFNOYEC-CQSZACIVSA-N	2	1	335.404	1.505	20	5		EDBDMP
C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C	ZINC000819286053	593748491	/nfs/dbraw/zinc/74/84/91/593748491.db2.gz	DUUMDCVVJONAJK-INIZCTEOSA-N	2	1	336.436	1.244	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345058	273190633	/nfs/dbraw/zinc/19/06/33/273190633.db2.gz	WIYJEERHDFMZLU-HOCLYGCPSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345058	273190634	/nfs/dbraw/zinc/19/06/34/273190634.db2.gz	WIYJEERHDFMZLU-HOCLYGCPSA-N	2	1	337.420	1.751	20	5		EDBDMP
COc1ccc(NC(=O)CC[NH+]2CCC3(CC[NH2+]3)CC2)c([N+](=O)[O-])c1	ZINC000422638474	304875552	/nfs/dbraw/zinc/87/55/52/304875552.db2.gz	QINDOKBCRGKURT-UHFFFAOYSA-N	2	1	348.403	1.760	20	5		EDBDMP
Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000428030307	305004309	/nfs/dbraw/zinc/00/43/09/305004309.db2.gz	HRUXYNJFCJLBHA-ZFWWWQNUSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000428030307	305004310	/nfs/dbraw/zinc/00/43/10/305004310.db2.gz	HRUXYNJFCJLBHA-ZFWWWQNUSA-N	2	1	332.404	1.916	20	5		EDBDMP
C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CC1	ZINC000429236179	305026203	/nfs/dbraw/zinc/02/62/03/305026203.db2.gz	LKNPRRVJHLHJHZ-UHFFFAOYSA-N	2	1	334.420	1.584	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1	ZINC000430621284	305059502	/nfs/dbraw/zinc/05/95/02/305059502.db2.gz	CTDPIZFCPUJYFY-LBPRGKRZSA-N	2	1	336.392	1.603	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000357077308	445411134	/nfs/dbraw/zinc/41/11/34/445411134.db2.gz	ARPYMJWFPIRGNM-CHWSQXEVSA-N	2	1	346.387	1.434	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000357077308	445411138	/nfs/dbraw/zinc/41/11/38/445411138.db2.gz	ARPYMJWFPIRGNM-CHWSQXEVSA-N	2	1	346.387	1.434	20	5		EDBDMP
[NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12	ZINC000351479567	446080579	/nfs/dbraw/zinc/08/05/79/446080579.db2.gz	RXXDDXCFEDGBDO-MPESAESLSA-N	2	1	330.388	1.369	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C	ZINC000420315299	446479848	/nfs/dbraw/zinc/47/98/48/446479848.db2.gz	LNVOSTPLOASCGF-MRXNPFEDSA-N	2	1	338.408	1.895	20	5		EDBDMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000337579687	535595541	/nfs/dbraw/zinc/59/55/41/535595541.db2.gz	MOGLYAIVOCTGKS-ZDUSSCGKSA-N	2	1	337.424	1.411	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1	ZINC000819061417	593736671	/nfs/dbraw/zinc/73/66/71/593736671.db2.gz	LLQJXWVUFTZQPC-QZTJIDSGSA-N	2	1	349.431	1.861	20	5		EDBDMP
C[C@@]([NH3+])(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1	ZINC000870879794	596387444	/nfs/dbraw/zinc/38/74/44/596387444.db2.gz	NVLKNENQWOVHIF-WBVHZDCISA-N	2	1	332.404	1.465	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1	ZINC000430942995	305069871	/nfs/dbraw/zinc/06/98/71/305069871.db2.gz	NTSKOUNOGFIBEF-AAEUAGOBSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1	ZINC000449134194	305307396	/nfs/dbraw/zinc/30/73/96/305307396.db2.gz	HJLNMXJECCAAQE-HOCLYGCPSA-N	2	1	348.447	1.703	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1	ZINC000532216063	305976845	/nfs/dbraw/zinc/97/68/45/305976845.db2.gz	RQOZTGZOWPCILF-AWEZNQCLSA-N	2	1	334.420	1.718	20	5		EDBDMP
C[NH+]1CCC(N2CC[C@@H](NC(=O)Cc3ccccc3[N+](=O)[O-])C2)CC1	ZINC000369267763	446032618	/nfs/dbraw/zinc/03/26/18/446032618.db2.gz	QCXDOTKZNVQXPW-OAHLLOKOSA-N	2	1	346.431	1.422	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C	ZINC000420366997	446546950	/nfs/dbraw/zinc/54/69/50/446546950.db2.gz	RUHRPHGHZMMGOH-AWEZNQCLSA-N	2	1	338.408	1.895	20	5		EDBDMP
[NH3+]CC[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000443060968	447001269	/nfs/dbraw/zinc/00/12/69/447001269.db2.gz	QIKGPGJRBMQZHM-ZDUSSCGKSA-N	2	1	348.403	1.954	20	5		EDBDMP
CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000518171122	448650387	/nfs/dbraw/zinc/65/03/87/448650387.db2.gz	QZBNNOBAVMXLEH-GDBMZVCRSA-N	2	1	339.440	1.110	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1	ZINC000592472312	448852071	/nfs/dbraw/zinc/85/20/71/448852071.db2.gz	XEAXNLQYQIOBGS-UHFFFAOYSA-N	2	1	349.435	1.069	20	5		EDBDMP
NC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1	ZINC000592493531	448861925	/nfs/dbraw/zinc/86/19/25/448861925.db2.gz	UKNJUMVAABFSBL-GJZGRUSLSA-N	2	1	346.431	1.905	20	5		EDBDMP
Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000597941938	449152825	/nfs/dbraw/zinc/15/28/25/449152825.db2.gz	HINILIFLPUWASF-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1[N+](=O)[O-]	ZINC000597941938	449152828	/nfs/dbraw/zinc/15/28/28/449152828.db2.gz	HINILIFLPUWASF-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
C[NH+]1CCC2(CC[N@@H+](Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)CC1	ZINC000602878844	449886939	/nfs/dbraw/zinc/88/69/39/449886939.db2.gz	ZHUXXIZPDOGFGC-UHFFFAOYSA-N	2	1	332.404	1.611	20	5		EDBDMP
Cc1noc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1[N+](=O)[O-]	ZINC000595330972	450045958	/nfs/dbraw/zinc/04/59/58/450045958.db2.gz	GOOFYSZAAPHSCP-UHFFFAOYSA-N	2	1	338.408	1.968	20	5		EDBDMP
C[NH+]1CCN(C(=O)CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1	ZINC000892927833	591228234	/nfs/dbraw/zinc/22/82/34/591228234.db2.gz	VYGSSOZLTHKDOU-UHFFFAOYSA-N	2	1	340.811	1.502	20	5		EDBDMP
C[C@]([NH3+])(C(=O)N1CC[C@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1	ZINC000870879791	596387372	/nfs/dbraw/zinc/38/73/72/596387372.db2.gz	NVLKNENQWOVHIF-DOTOQJQBSA-N	2	1	332.404	1.465	20	5		EDBDMP
C[NH+](C)C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000117341783	221054742	/nfs/dbraw/zinc/05/47/42/221054742.db2.gz	KOZIPMZGBLYEPN-ZDUSSCGKSA-N	2	1	348.403	1.776	20	5		EDBDMP
C[NH+](C)C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000117341783	221054744	/nfs/dbraw/zinc/05/47/44/221054744.db2.gz	KOZIPMZGBLYEPN-ZDUSSCGKSA-N	2	1	348.403	1.776	20	5		EDBDMP
O=C([C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1	ZINC000347197960	143293830	/nfs/dbraw/zinc/29/38/30/143293830.db2.gz	IIRUBDGFULVFMC-OAHLLOKOSA-N	2	1	332.404	1.239	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428027528	305004231	/nfs/dbraw/zinc/00/42/31/305004231.db2.gz	AIGYKNIMCYLXDM-ZFWWWQNUSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428027528	305004232	/nfs/dbraw/zinc/00/42/32/305004232.db2.gz	AIGYKNIMCYLXDM-ZFWWWQNUSA-N	2	1	332.404	1.916	20	5		EDBDMP
C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)C1	ZINC000430972143	305071847	/nfs/dbraw/zinc/07/18/47/305071847.db2.gz	REGGHQNEBDHIKN-GFCCVEGCSA-N	2	1	336.392	1.473	20	5		EDBDMP
C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(=O)N1CC[NH+](C)CC1	ZINC000449128975	447364262	/nfs/dbraw/zinc/36/42/62/447364262.db2.gz	UAVZXZYZCIGJAV-AWEZNQCLSA-N	2	1	334.420	1.280	20	5		EDBDMP
Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000536069266	306019275	/nfs/dbraw/zinc/01/92/75/306019275.db2.gz	YIIBCZBWZSFOLM-DZGCQCFKSA-N	2	1	346.387	1.558	20	5		EDBDMP
C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1	ZINC000128639542	442279600	/nfs/dbraw/zinc/27/96/00/442279600.db2.gz	CKHWEKBEHSYDNR-GFCCVEGCSA-N	2	1	338.383	1.946	20	5		EDBDMP
C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C1	ZINC000128639542	442279602	/nfs/dbraw/zinc/27/96/02/442279602.db2.gz	CKHWEKBEHSYDNR-GFCCVEGCSA-N	2	1	338.383	1.946	20	5		EDBDMP
COc1ccc(NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C)c([N+](=O)[O-])c1	ZINC000420301783	446464464	/nfs/dbraw/zinc/46/44/64/446464464.db2.gz	JEGLJFQLIKSLKK-MRXNPFEDSA-N	2	1	338.408	1.895	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C	ZINC000442770542	446961292	/nfs/dbraw/zinc/96/12/92/446961292.db2.gz	XWALPVJMZZSUFS-NEPJUHHUSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1	ZINC000422710241	447722907	/nfs/dbraw/zinc/72/29/07/447722907.db2.gz	FKZBVHFIWGUQQM-HRCADAONSA-N	2	1	335.404	1.850	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCO2	ZINC000592182724	448725409	/nfs/dbraw/zinc/72/54/09/448725409.db2.gz	QMFDRXZJGPVIDO-UHFFFAOYSA-N	2	1	335.404	1.770	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@@H+](CCOc1ccccc1[N+](=O)[O-])CCO2	ZINC000592182724	448725412	/nfs/dbraw/zinc/72/54/12/448725412.db2.gz	QMFDRXZJGPVIDO-UHFFFAOYSA-N	2	1	335.404	1.770	20	5		EDBDMP
CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000154159331	529152436	/nfs/dbraw/zinc/15/24/36/529152436.db2.gz	PJQBVGRRZQOHBH-ROUUACIJSA-N	2	1	348.447	1.340	20	5		EDBDMP
C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426953	536395593	/nfs/dbraw/zinc/39/55/93/536395593.db2.gz	DEUUYEYLTICIAI-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426953	536395595	/nfs/dbraw/zinc/39/55/95/536395595.db2.gz	DEUUYEYLTICIAI-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426953	536395597	/nfs/dbraw/zinc/39/55/97/536395597.db2.gz	DEUUYEYLTICIAI-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426953	536395599	/nfs/dbraw/zinc/39/55/99/536395599.db2.gz	DEUUYEYLTICIAI-YJBOKZPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594663	580725384	/nfs/dbraw/zinc/72/53/84/580725384.db2.gz	OJMAFTYJEWAOJX-JSGCOSHPSA-N	2	1	349.435	1.415	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594663	580725385	/nfs/dbraw/zinc/72/53/85/580725385.db2.gz	OJMAFTYJEWAOJX-JSGCOSHPSA-N	2	1	349.435	1.415	20	5		EDBDMP
C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1[C@@H]1CCC[NH2+]C1	ZINC000903916300	592389220	/nfs/dbraw/zinc/38/92/20/592389220.db2.gz	GSPYNYBNMRJROV-MRXNPFEDSA-N	2	1	344.419	1.785	20	5		EDBDMP
C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cnnn1[C@@H]1CCC[NH2+]C1	ZINC000903916300	592389227	/nfs/dbraw/zinc/38/92/27/592389227.db2.gz	GSPYNYBNMRJROV-MRXNPFEDSA-N	2	1	344.419	1.785	20	5		EDBDMP
CN(C)Cc1csc(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)n1	ZINC000905528085	592562569	/nfs/dbraw/zinc/56/25/69/592562569.db2.gz	DEMAGMZIXWDRTM-CQSZACIVSA-N	2	1	336.417	1.936	20	5		EDBDMP
C[C@]([NH3+])(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1	ZINC000870884534	596389165	/nfs/dbraw/zinc/38/91/65/596389165.db2.gz	ZPURIPAFYAVGPD-FUHWJXTLSA-N	2	1	346.431	1.856	20	5		EDBDMP
C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1	ZINC000181906393	529961124	/nfs/dbraw/zinc/96/11/24/529961124.db2.gz	DDZWXXWNGSTTTP-GJZGRUSLSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1	ZINC000181906393	529961126	/nfs/dbraw/zinc/96/11/26/529961126.db2.gz	DDZWXXWNGSTTTP-GJZGRUSLSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1	ZINC000181906393	529961127	/nfs/dbraw/zinc/96/11/27/529961127.db2.gz	DDZWXXWNGSTTTP-GJZGRUSLSA-N	2	1	337.420	1.608	20	5		EDBDMP
Cc1cc(NC2CC[NH+](CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000302213294	303718505	/nfs/dbraw/zinc/71/85/05/303718505.db2.gz	ZGKREPLOVKBBRR-UHFFFAOYSA-N	2	1	343.387	1.813	20	5		EDBDMP
C[NH2+]CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000430959478	305070949	/nfs/dbraw/zinc/07/09/49/305070949.db2.gz	ZPKWQRKPBNGKQB-UHFFFAOYSA-N	2	1	332.404	1.415	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000351479525	446080185	/nfs/dbraw/zinc/08/01/85/446080185.db2.gz	RKPBSTSPKBMXEL-IACUBPJLSA-N	2	1	348.403	1.601	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000351486457	446086700	/nfs/dbraw/zinc/08/67/00/446086700.db2.gz	AWKPJQCZAQVSFS-AEGPPILISA-N	2	1	332.404	1.901	20	5		EDBDMP
[NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])s3)CC2)C1	ZINC000903431512	592168364	/nfs/dbraw/zinc/16/83/64/592168364.db2.gz	XSORZWXTVGJSTE-NWDGAFQWSA-N	2	1	338.433	1.542	20	5		EDBDMP
C[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1	ZINC000903988005	592405882	/nfs/dbraw/zinc/40/58/82/592405882.db2.gz	MLPFYMWFZXICNE-DOMZBBRYSA-N	2	1	330.392	1.962	20	5		EDBDMP
Cc1cnc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000905703762	592616354	/nfs/dbraw/zinc/61/63/54/592616354.db2.gz	PGFLYRKUFRBPLM-GASCZTMLSA-N	2	1	331.420	1.703	20	5		EDBDMP
O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1	ZINC000262256481	139264069	/nfs/dbraw/zinc/26/40/69/139264069.db2.gz	QSTUNCWDPNVVNG-NVXWUHKLSA-N	2	1	346.431	1.675	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cccc1[N+](=O)[O-]	ZINC000360541783	152086643	/nfs/dbraw/zinc/08/66/43/152086643.db2.gz	AVONVLYUBJISIF-QGZVFWFLSA-N	2	1	332.404	1.917	20	5		EDBDMP
C[C@@H]1CN(C(=O)c2ccc([N+](=O)[O-])c(-n3ccnc3)c2)C[C@H](C)[N@H+]1C	ZINC000452152559	305385262	/nfs/dbraw/zinc/38/52/62/305385262.db2.gz	NGVQNOCSLVHURK-BETUJISGSA-N	2	1	343.387	1.945	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000265853835	442946066	/nfs/dbraw/zinc/94/60/66/442946066.db2.gz	ZFPJOPOHMMBHMQ-WBVHZDCISA-N	2	1	349.431	1.752	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000265853835	442946072	/nfs/dbraw/zinc/94/60/72/442946072.db2.gz	ZFPJOPOHMMBHMQ-WBVHZDCISA-N	2	1	349.431	1.752	20	5		EDBDMP
C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1[N+](=O)[O-]	ZINC000342292592	444615941	/nfs/dbraw/zinc/61/59/41/444615941.db2.gz	FOOFYDWTJMVSJI-ZDUSSCGKSA-N	2	1	346.431	1.988	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1	ZINC000351864937	445347603	/nfs/dbraw/zinc/34/76/03/445347603.db2.gz	ZWLMCNKOKQVONM-NWDGAFQWSA-N	2	1	336.392	1.601	20	5		EDBDMP
O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000420382507	446558581	/nfs/dbraw/zinc/55/85/81/446558581.db2.gz	SFSIZDTXPVQUMF-KRWDZBQOSA-N	2	1	332.404	1.999	20	5		EDBDMP
[NH3+]C[C@@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1	ZINC000420398807	446573346	/nfs/dbraw/zinc/57/33/46/446573346.db2.gz	ZCMIYTCHTJECOV-OAHLLOKOSA-N	2	1	346.387	1.842	20	5		EDBDMP
[NH3+]C[C@@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1	ZINC000420398807	446573354	/nfs/dbraw/zinc/57/33/54/446573354.db2.gz	ZCMIYTCHTJECOV-OAHLLOKOSA-N	2	1	346.387	1.842	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000596449251	449507794	/nfs/dbraw/zinc/50/77/94/449507794.db2.gz	AIXABFYEYDMJEN-ZDUSSCGKSA-N	2	1	337.424	1.988	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000596449251	449507800	/nfs/dbraw/zinc/50/78/00/449507800.db2.gz	AIXABFYEYDMJEN-ZDUSSCGKSA-N	2	1	337.424	1.988	20	5		EDBDMP
CN(C)C(=O)CC[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000602538613	449660693	/nfs/dbraw/zinc/66/06/93/449660693.db2.gz	GXLIADKXDMHVGX-UHFFFAOYSA-N	2	1	348.447	1.670	20	5		EDBDMP
O=[N+]([O-])c1ccc(N2CC[NH2+]CC[NH2+]CC2)c(Br)c1	ZINC000900369878	591998591	/nfs/dbraw/zinc/99/85/91/591998591.db2.gz	OKYASPWLTAYFSM-UHFFFAOYSA-N	2	1	329.198	1.357	20	5		EDBDMP
COCC[N@H+](CC1CC[NH+](C)CC1)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000872632388	597001030	/nfs/dbraw/zinc/00/10/30/597001030.db2.gz	NBVCKJPZCAWFGH-UHFFFAOYSA-N	2	1	339.440	1.656	20	5		EDBDMP
COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000872632388	597001034	/nfs/dbraw/zinc/00/10/34/597001034.db2.gz	NBVCKJPZCAWFGH-UHFFFAOYSA-N	2	1	339.440	1.656	20	5		EDBDMP
O=C(NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@@H]1CCC[NH2+]1	ZINC000262179462	139257748	/nfs/dbraw/zinc/25/77/48/139257748.db2.gz	INAMCGZNTRQRCL-WBVHZDCISA-N	2	1	346.431	1.675	20	5		EDBDMP
O=C(NC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@H]1CCC[NH2+]1	ZINC000262256479	139264142	/nfs/dbraw/zinc/26/41/42/139264142.db2.gz	QSTUNCWDPNVVNG-DOTOQJQBSA-N	2	1	346.431	1.675	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000357065263	445404335	/nfs/dbraw/zinc/40/43/35/445404335.db2.gz	AAYPFDSFCPFQTJ-QWHCGFSZSA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000357065263	445404339	/nfs/dbraw/zinc/40/43/39/445404339.db2.gz	AAYPFDSFCPFQTJ-QWHCGFSZSA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000357092361	445424127	/nfs/dbraw/zinc/42/41/27/445424127.db2.gz	USUPJQTXVFCKGR-OLZOCXBDSA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000357092361	445424130	/nfs/dbraw/zinc/42/41/30/445424130.db2.gz	USUPJQTXVFCKGR-OLZOCXBDSA-N	2	1	348.403	1.473	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1	ZINC000371283804	446740607	/nfs/dbraw/zinc/74/06/07/446740607.db2.gz	LVEXRKFAKIBRMD-KBMXLJTQSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1	ZINC000371283804	446740612	/nfs/dbraw/zinc/74/06/12/446740612.db2.gz	LVEXRKFAKIBRMD-KBMXLJTQSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1	ZINC000371283804	446740616	/nfs/dbraw/zinc/74/06/16/446740616.db2.gz	LVEXRKFAKIBRMD-KBMXLJTQSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1	ZINC000371283804	446740620	/nfs/dbraw/zinc/74/06/20/446740620.db2.gz	LVEXRKFAKIBRMD-KBMXLJTQSA-N	2	1	332.404	1.173	20	5		EDBDMP
C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000442788620	446967857	/nfs/dbraw/zinc/96/78/57/446967857.db2.gz	YCHQSWRAZNJVHK-VXGBXAGGSA-N	2	1	334.376	1.562	20	5		EDBDMP
C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000584346572	448491545	/nfs/dbraw/zinc/49/15/45/448491545.db2.gz	QGZMSAMKFXFFHH-GDBMZVCRSA-N	2	1	337.420	1.656	20	5		EDBDMP
C[NH+](C)C[C@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000602878110	449886608	/nfs/dbraw/zinc/88/66/08/449886608.db2.gz	VMTNTXGVJLNEEQ-QGZVFWFLSA-N	2	1	337.420	1.752	20	5		EDBDMP
C[NH+](C)C[C@]1(O)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000602878110	449886616	/nfs/dbraw/zinc/88/66/16/449886616.db2.gz	VMTNTXGVJLNEEQ-QGZVFWFLSA-N	2	1	337.420	1.752	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3CC[NH+](C)[C@H]3C)n2)CC[N@H+]1C	ZINC000895735763	591264780	/nfs/dbraw/zinc/26/47/80/591264780.db2.gz	GZDVLTWHJWMCNR-RQJABVFESA-N	2	1	348.451	1.999	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N[C@H]3CC[N@H+](C)[C@H]3C)n2)CC[NH+]1C	ZINC000895735763	591264782	/nfs/dbraw/zinc/26/47/82/591264782.db2.gz	GZDVLTWHJWMCNR-RQJABVFESA-N	2	1	348.451	1.999	20	5		EDBDMP
O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000843367382	595089969	/nfs/dbraw/zinc/08/99/69/595089969.db2.gz	FXUUMHJELRNYRM-MRXNPFEDSA-N	2	1	336.367	1.748	20	5		EDBDMP
CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@@H+](C2CC2)C1	ZINC000867960648	596636434	/nfs/dbraw/zinc/63/64/34/596636434.db2.gz	ODLITUAODQBOOJ-NVXWUHKLSA-N	2	1	332.404	1.464	20	5		EDBDMP
CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@@H]1CC[N@H+](C2CC2)C1	ZINC000867960648	596636436	/nfs/dbraw/zinc/63/64/36/596636436.db2.gz	ODLITUAODQBOOJ-NVXWUHKLSA-N	2	1	332.404	1.464	20	5		EDBDMP
C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000879593603	597649735	/nfs/dbraw/zinc/64/97/35/597649735.db2.gz	HMJYONOALFPCAD-SFHVURJKSA-N	2	1	348.447	1.340	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1	ZINC000261941072	139238852	/nfs/dbraw/zinc/23/88/52/139238852.db2.gz	MVNASAFTLJQZLZ-XHSDSOJGSA-N	2	1	335.404	1.850	20	5		EDBDMP
COc1ccc(NC(=O)CC[NH2+][C@@](C)(C[NH3+])C2CC2)c([N+](=O)[O-])c1	ZINC000420287664	274113737	/nfs/dbraw/zinc/11/37/37/274113737.db2.gz	IILPCKUGHHHIBV-INIZCTEOSA-N	2	1	336.392	1.649	20	5		EDBDMP
C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000430918610	305068038	/nfs/dbraw/zinc/06/80/38/305068038.db2.gz	IGPQUALPTLPKBF-LBPRGKRZSA-N	2	1	332.404	1.543	20	5		EDBDMP
C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000420364286	446544518	/nfs/dbraw/zinc/54/45/18/446544518.db2.gz	KCXOBWKLCUOMGL-WQGACYEGSA-N	2	1	348.403	1.869	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1	ZINC000371283785	446741682	/nfs/dbraw/zinc/74/16/82/446741682.db2.gz	LVEXRKFAKIBRMD-BMFZPTHFSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1	ZINC000371283785	446741692	/nfs/dbraw/zinc/74/16/92/446741692.db2.gz	LVEXRKFAKIBRMD-BMFZPTHFSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000371283785	446741698	/nfs/dbraw/zinc/74/16/98/446741698.db2.gz	LVEXRKFAKIBRMD-BMFZPTHFSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1	ZINC000371283785	446741704	/nfs/dbraw/zinc/74/17/04/446741704.db2.gz	LVEXRKFAKIBRMD-BMFZPTHFSA-N	2	1	332.404	1.173	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1	ZINC000598682473	449540952	/nfs/dbraw/zinc/54/09/52/449540952.db2.gz	NAQDUNRNJCDNFK-YVEFUNNKSA-N	2	1	348.403	1.745	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c([N+](=O)[O-])c1	ZINC000598682473	449540956	/nfs/dbraw/zinc/54/09/56/449540956.db2.gz	NAQDUNRNJCDNFK-YVEFUNNKSA-N	2	1	348.403	1.745	20	5		EDBDMP
Cn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c([N+](=O)[O-])n1	ZINC000602451839	449598047	/nfs/dbraw/zinc/59/80/47/449598047.db2.gz	AOTAKDRYCPTAGC-UHFFFAOYSA-N	2	1	337.424	1.263	20	5		EDBDMP
CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1	ZINC000602479677	449624062	/nfs/dbraw/zinc/62/40/62/449624062.db2.gz	PJLKLQHZDFGUTQ-AWEZNQCLSA-N	2	1	325.413	1.261	20	5		EDBDMP
CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1	ZINC000602479677	449624065	/nfs/dbraw/zinc/62/40/65/449624065.db2.gz	PJLKLQHZDFGUTQ-AWEZNQCLSA-N	2	1	325.413	1.261	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@](C)(C[NH3+])C2)c([N+](=O)[O-])c1	ZINC000261678338	536760720	/nfs/dbraw/zinc/76/07/20/536760720.db2.gz	JTSMRHFRAOHMDO-INIZCTEOSA-N	2	1	336.392	1.603	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594665	580725399	/nfs/dbraw/zinc/72/53/99/580725399.db2.gz	OJMAFTYJEWAOJX-OCCSQVGLSA-N	2	1	349.435	1.415	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594665	580725400	/nfs/dbraw/zinc/72/54/00/580725400.db2.gz	OJMAFTYJEWAOJX-OCCSQVGLSA-N	2	1	349.435	1.415	20	5		EDBDMP
C[C@@H]1C[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C[C@H]1CC[NH3+]	ZINC000903497458	592188344	/nfs/dbraw/zinc/18/83/44/592188344.db2.gz	XWTIZTOMRGSNLD-IOASZLSFSA-N	2	1	332.404	1.617	20	5		EDBDMP
Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cnn1C	ZINC000903883988	592362617	/nfs/dbraw/zinc/36/26/17/592362617.db2.gz	NXZDKEOIEIBDGK-CQSZACIVSA-N	2	1	331.420	1.886	20	5		EDBDMP
Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cnn1C	ZINC000903883988	592362621	/nfs/dbraw/zinc/36/26/21/592362621.db2.gz	NXZDKEOIEIBDGK-CQSZACIVSA-N	2	1	331.420	1.886	20	5		EDBDMP
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728819	597309587	/nfs/dbraw/zinc/30/95/87/597309587.db2.gz	WULAQLBMKSKGDR-DYVFJYSZSA-N	2	1	334.420	1.569	20	5		EDBDMP
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728819	597309590	/nfs/dbraw/zinc/30/95/90/597309590.db2.gz	WULAQLBMKSKGDR-DYVFJYSZSA-N	2	1	334.420	1.569	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1	ZINC000173781866	231032122	/nfs/dbraw/zinc/03/21/22/231032122.db2.gz	YEDFGANDUJFADX-GOEBONIOSA-N	2	1	337.424	1.103	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1	ZINC000173781866	231032123	/nfs/dbraw/zinc/03/21/23/231032123.db2.gz	YEDFGANDUJFADX-GOEBONIOSA-N	2	1	337.424	1.103	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1	ZINC000246374242	139106022	/nfs/dbraw/zinc/10/60/22/139106022.db2.gz	JPSSONWIEBQCIJ-HOCLYGCPSA-N	2	1	339.440	1.518	20	5		EDBDMP
O=C([C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1	ZINC000347197956	143293778	/nfs/dbraw/zinc/29/37/78/143293778.db2.gz	IIRUBDGFULVFMC-HNNXBMFYSA-N	2	1	332.404	1.239	20	5		EDBDMP
COC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-]	ZINC000414944500	447366679	/nfs/dbraw/zinc/36/66/79/447366679.db2.gz	PYHBJTFEFVFIIU-DGCLKSJQSA-N	2	1	337.376	1.234	20	5		EDBDMP
C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000128156231	442248808	/nfs/dbraw/zinc/24/88/08/442248808.db2.gz	DIPHMLFBSCHYCZ-HIFRSBDPSA-N	2	1	334.420	1.833	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000128156231	442248814	/nfs/dbraw/zinc/24/88/14/442248814.db2.gz	DIPHMLFBSCHYCZ-HIFRSBDPSA-N	2	1	334.420	1.833	20	5		EDBDMP
CN(C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCN(c2cccc([N+](=O)[O-])c2)C1=O	ZINC000355745369	445476546	/nfs/dbraw/zinc/47/65/46/445476546.db2.gz	ZTXJENOWKIABEU-YOEHRIQHSA-N	2	1	346.431	1.974	20	5		EDBDMP
O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)N1CCc2ccc([N+](=O)[O-])cc21	ZINC000358515845	445627539	/nfs/dbraw/zinc/62/75/39/445627539.db2.gz	NPGSLBZSOWFJSQ-UHFFFAOYSA-N	2	1	344.415	1.559	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1	ZINC000532216064	448217605	/nfs/dbraw/zinc/21/76/05/448217605.db2.gz	RQOZTGZOWPCILF-CQSZACIVSA-N	2	1	334.420	1.718	20	5		EDBDMP
Cn1cc(C[NH2+]CC2([NH3+])CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000600777470	449543060	/nfs/dbraw/zinc/54/30/60/449543060.db2.gz	UNALDIQFDUTLRQ-UHFFFAOYSA-N	2	1	345.403	1.593	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000819083795	593737909	/nfs/dbraw/zinc/73/79/09/593737909.db2.gz	FXUGBPXRWAUCIP-KBXCAEBGSA-N	2	1	349.431	1.719	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000848529764	595403141	/nfs/dbraw/zinc/40/31/41/595403141.db2.gz	ZSNIDNJZDMIONE-SJORKVTESA-N	2	1	335.404	1.471	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870983940	596429229	/nfs/dbraw/zinc/42/92/29/596429229.db2.gz	ZNYWWGSEGYUDSQ-PVUWLOKVSA-N	2	1	332.404	1.321	20	5		EDBDMP
C[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870983940	596429231	/nfs/dbraw/zinc/42/92/31/596429231.db2.gz	ZNYWWGSEGYUDSQ-PVUWLOKVSA-N	2	1	332.404	1.321	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@](C)(C[NH3+])C1	ZINC000261611503	139210952	/nfs/dbraw/zinc/21/09/52/139210952.db2.gz	BJAHTQKXMRKOFX-MRXNPFEDSA-N	2	1	336.392	1.603	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000261779774	139225312	/nfs/dbraw/zinc/22/53/12/139225312.db2.gz	RTSJJGTWGYCJSF-GFCCVEGCSA-N	2	1	340.811	1.535	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000261779774	139225313	/nfs/dbraw/zinc/22/53/13/139225313.db2.gz	RTSJJGTWGYCJSF-GFCCVEGCSA-N	2	1	340.811	1.535	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000428032585	305004501	/nfs/dbraw/zinc/00/45/01/305004501.db2.gz	KJMLAUBTSQPNFD-TZMCWYRMSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000428032585	305004502	/nfs/dbraw/zinc/00/45/02/305004502.db2.gz	KJMLAUBTSQPNFD-TZMCWYRMSA-N	2	1	348.403	1.616	20	5		EDBDMP
Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000536069268	306019327	/nfs/dbraw/zinc/01/93/27/306019327.db2.gz	YIIBCZBWZSFOLM-UKRRQHHQSA-N	2	1	346.387	1.558	20	5		EDBDMP
COc1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c([N+](=O)[O-])cc1OC	ZINC000415011038	319345415	/nfs/dbraw/zinc/34/54/15/319345415.db2.gz	VSDYLUMNZQUCJV-LLVKDONJSA-N	2	1	345.346	1.946	20	5		EDBDMP
[NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2	ZINC000593737662	449172069	/nfs/dbraw/zinc/17/20/69/449172069.db2.gz	SJNJWKLGKVXWGS-GUYCJALGSA-N	2	1	332.404	1.984	20	5		EDBDMP
CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1	ZINC000602520246	449646353	/nfs/dbraw/zinc/64/63/53/449646353.db2.gz	LUTXYZQTMCAVDN-AWEZNQCLSA-N	2	1	333.436	1.890	20	5		EDBDMP
C[NH+]1CCC2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000602878532	449887183	/nfs/dbraw/zinc/88/71/83/449887183.db2.gz	YFDTUPLSTFZAKA-INIZCTEOSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000899909349	591975841	/nfs/dbraw/zinc/97/58/41/591975841.db2.gz	AOUPCDVEWGACOK-HNNXBMFYSA-N	2	1	335.404	1.505	20	5		EDBDMP
C[NH+]1CCC2(CC[N@H+]2C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000899909349	591975842	/nfs/dbraw/zinc/97/58/42/591975842.db2.gz	AOUPCDVEWGACOK-HNNXBMFYSA-N	2	1	335.404	1.505	20	5		EDBDMP
CC[NH+](CC)[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870894755	596393286	/nfs/dbraw/zinc/39/32/86/596393286.db2.gz	GIBLFZILTCBHGK-DOTOQJQBSA-N	2	1	334.420	1.711	20	5		EDBDMP
C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000870907049	596399153	/nfs/dbraw/zinc/39/91/53/596399153.db2.gz	PTENXPVMBNDJIQ-QBIMZIAESA-N	2	1	346.431	1.711	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000870907049	596399156	/nfs/dbraw/zinc/39/91/56/596399156.db2.gz	PTENXPVMBNDJIQ-QBIMZIAESA-N	2	1	346.431	1.711	20	5		EDBDMP
COc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1[N+](=O)[O-]	ZINC000415061876	304155624	/nfs/dbraw/zinc/15/56/24/304155624.db2.gz	YYXBDDWJVVWINS-UHFFFAOYSA-N	2	1	348.447	1.909	20	5		EDBDMP
C[NH+](C)CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000332241766	141145522	/nfs/dbraw/zinc/14/55/22/141145522.db2.gz	JFFHZRJOEXSQJF-UHFFFAOYSA-N	2	1	346.431	1.758	20	5		EDBDMP
C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264928	289301552	/nfs/dbraw/zinc/30/15/52/289301552.db2.gz	ZBBSGHLNYYKIIF-WBVHZDCISA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264928	289301554	/nfs/dbraw/zinc/30/15/54/289301554.db2.gz	ZBBSGHLNYYKIIF-WBVHZDCISA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264928	289301558	/nfs/dbraw/zinc/30/15/58/289301558.db2.gz	ZBBSGHLNYYKIIF-WBVHZDCISA-N	2	1	335.404	1.362	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000428044904	305005447	/nfs/dbraw/zinc/00/54/47/305005447.db2.gz	NXUUOYOREMKCAJ-CZUORRHYSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000428044904	305005448	/nfs/dbraw/zinc/00/54/48/305005448.db2.gz	NXUUOYOREMKCAJ-CZUORRHYSA-N	2	1	332.404	1.916	20	5		EDBDMP
CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000107370492	441413790	/nfs/dbraw/zinc/41/37/90/441413790.db2.gz	UYVVTYFODDNMOU-KRWDZBQOSA-N	2	1	348.447	1.685	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](CN)C1CC1	ZINC000359867236	445467173	/nfs/dbraw/zinc/46/71/73/445467173.db2.gz	BWCILHLMSVPYLN-CQSZACIVSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](CN)C1CC1	ZINC000359867236	445467175	/nfs/dbraw/zinc/46/71/75/445467175.db2.gz	BWCILHLMSVPYLN-CQSZACIVSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)[C@H](C[NH3+])C1CC1	ZINC000359867236	445467177	/nfs/dbraw/zinc/46/71/77/445467177.db2.gz	BWCILHLMSVPYLN-CQSZACIVSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)[C@H](C[NH3+])C1CC1	ZINC000359867236	445467180	/nfs/dbraw/zinc/46/71/80/445467180.db2.gz	BWCILHLMSVPYLN-CQSZACIVSA-N	2	1	336.392	1.601	20	5		EDBDMP
O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc([N+](=O)[O-])cc1	ZINC000420382511	446559646	/nfs/dbraw/zinc/55/96/46/446559646.db2.gz	SFSIZDTXPVQUMF-QGZVFWFLSA-N	2	1	332.404	1.999	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1	ZINC000591726508	448473287	/nfs/dbraw/zinc/47/32/87/448473287.db2.gz	CMABQPURHIHPHX-IIAWOOMASA-N	2	1	335.404	1.551	20	5		EDBDMP
CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C	ZINC000596364164	449483236	/nfs/dbraw/zinc/48/32/36/449483236.db2.gz	YICIYCGGDMDKTJ-LBPRGKRZSA-N	2	1	326.445	1.804	20	5		EDBDMP
CCn1c(C)nc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C	ZINC000596364164	449483238	/nfs/dbraw/zinc/48/32/38/449483238.db2.gz	YICIYCGGDMDKTJ-LBPRGKRZSA-N	2	1	326.445	1.804	20	5		EDBDMP
O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1	ZINC000600681216	449488557	/nfs/dbraw/zinc/48/85/57/449488557.db2.gz	XQTBGOVKBOFBCS-UYWPIULCSA-N	2	1	328.376	1.524	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C2	ZINC000903493500	592185620	/nfs/dbraw/zinc/18/56/20/592185620.db2.gz	SYUHDOQQTXEKKA-OZVIIMIRSA-N	2	1	337.351	1.446	20	5		EDBDMP
C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1[N+](=O)[O-])CC[NH2+]CC2	ZINC000424285938	252189542	/nfs/dbraw/zinc/18/95/42/252189542.db2.gz	GKOFTQIRPYPCMM-CYBMUJFWSA-N	2	1	332.404	1.997	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c([N+](=O)[O-])c1	ZINC000360561170	152097075	/nfs/dbraw/zinc/09/70/75/152097075.db2.gz	IGYVABWLPMVMAT-QGZVFWFLSA-N	2	1	348.403	1.617	20	5		EDBDMP
Cc1ccc(CN2CCC(N3CCN(C)CC3=O)CC2)cc1[N+](=O)[O-]	ZINC000367880323	154310450	/nfs/dbraw/zinc/31/04/50/154310450.db2.gz	UAYVETZGGDJVPT-UHFFFAOYSA-N	2	1	346.431	1.642	20	5		EDBDMP
C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1	ZINC000362618587	274352649	/nfs/dbraw/zinc/35/26/49/274352649.db2.gz	BEGOTVLKEVGAKO-BMFZPTHFSA-N	2	1	337.424	1.270	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000430963374	305071283	/nfs/dbraw/zinc/07/12/83/305071283.db2.gz	UQXTUHUPBKRNOD-WCQYABFASA-N	2	1	336.392	1.601	20	5		EDBDMP
COC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1[N+](=O)[O-]	ZINC000414960793	447375007	/nfs/dbraw/zinc/37/50/07/447375007.db2.gz	YKSDUUQIUTUXFM-AAEUAGOBSA-N	2	1	337.376	1.377	20	5		EDBDMP
[NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]12	ZINC000351474174	446074791	/nfs/dbraw/zinc/07/47/91/446074791.db2.gz	FUMQIQWUAJRBIR-FPMFFAJLSA-N	2	1	346.387	1.562	20	5		EDBDMP
CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1	ZINC000411477923	446562692	/nfs/dbraw/zinc/56/26/92/446562692.db2.gz	DQBGOWRDOROTLU-ZDUSSCGKSA-N	2	1	334.420	1.846	20	5		EDBDMP
[NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1	ZINC000420368985	446549671	/nfs/dbraw/zinc/54/96/71/446549671.db2.gz	BBQAXPWKKCGRKJ-HNNXBMFYSA-N	2	1	346.391	1.361	20	5		EDBDMP
NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1	ZINC000592493533	448862206	/nfs/dbraw/zinc/86/22/06/448862206.db2.gz	UKNJUMVAABFSBL-LSDHHAIUSA-N	2	1	346.431	1.905	20	5		EDBDMP
C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505824	450193005	/nfs/dbraw/zinc/19/30/05/450193005.db2.gz	ZCWSWESBCYZBMK-CRAIPNDOSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505824	450193011	/nfs/dbraw/zinc/19/30/11/450193011.db2.gz	ZCWSWESBCYZBMK-CRAIPNDOSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505824	450193012	/nfs/dbraw/zinc/19/30/12/450193012.db2.gz	ZCWSWESBCYZBMK-CRAIPNDOSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505824	450193019	/nfs/dbraw/zinc/19/30/19/450193019.db2.gz	ZCWSWESBCYZBMK-CRAIPNDOSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000894647439	591378313	/nfs/dbraw/zinc/37/83/13/591378313.db2.gz	RTEOFEZHSAKRRP-UHFFFAOYSA-N	2	1	346.431	1.694	20	5		EDBDMP
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)nc1	ZINC000903741394	592302968	/nfs/dbraw/zinc/30/29/68/592302968.db2.gz	PIIVMDOFDICDQB-UKPHBRMFSA-N	2	1	347.419	1.245	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000819061597	593736638	/nfs/dbraw/zinc/73/66/38/593736638.db2.gz	LLQJXWVUFTZQPC-ZWKOTPCHSA-N	2	1	349.431	1.861	20	5		EDBDMP
C[NH+](C)CCC[N@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO	ZINC000865938050	596730194	/nfs/dbraw/zinc/73/01/94/596730194.db2.gz	BAOSQZRCAMOTNE-UHFFFAOYSA-N	2	1	328.388	1.522	20	5		EDBDMP
C[NH+](C)CCC[N@@H+](C)CCNc1cc(F)c([N+](=O)[O-])cc1CO	ZINC000865938050	596730196	/nfs/dbraw/zinc/73/01/96/596730196.db2.gz	BAOSQZRCAMOTNE-UHFFFAOYSA-N	2	1	328.388	1.522	20	5		EDBDMP
C[NH+]1CCN(C2CC[NH+](CCOc3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000879591038	597648487	/nfs/dbraw/zinc/64/84/87/597648487.db2.gz	IBPWQULSAZSGDN-UHFFFAOYSA-N	2	1	348.447	1.685	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C	ZINC000563350345	306328915	/nfs/dbraw/zinc/32/89/15/306328915.db2.gz	WZKDKAZCCOWQBA-RYUDHWBXSA-N	2	1	336.392	1.744	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000565157903	306376452	/nfs/dbraw/zinc/37/64/52/306376452.db2.gz	QTTRWKRCOBPXPY-NWDGAFQWSA-N	2	1	336.392	1.744	20	5		EDBDMP
COC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000261805622	139227649	/nfs/dbraw/zinc/22/76/49/139227649.db2.gz	HHMBADXYPGXHCJ-YPMHNXCESA-N	2	1	337.376	1.316	20	5		EDBDMP
COC(=O)COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000261805622	139227650	/nfs/dbraw/zinc/22/76/50/139227650.db2.gz	HHMBADXYPGXHCJ-YPMHNXCESA-N	2	1	337.376	1.316	20	5		EDBDMP
C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1	ZINC000372353226	156348592	/nfs/dbraw/zinc/34/85/92/156348592.db2.gz	DCUJGTUFRQKHCY-QLFBSQMISA-N	2	1	337.424	1.270	20	5		EDBDMP
Cc1c(NC(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000428030305	305004273	/nfs/dbraw/zinc/00/42/73/305004273.db2.gz	HRUXYNJFCJLBHA-UKRRQHHQSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000428030305	305004274	/nfs/dbraw/zinc/00/42/74/305004274.db2.gz	HRUXYNJFCJLBHA-UKRRQHHQSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000420344621	446516929	/nfs/dbraw/zinc/51/69/29/446516929.db2.gz	UDEYOXTWIBYCGX-OKILXGFUSA-N	2	1	332.404	1.773	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2	ZINC000592182672	448725238	/nfs/dbraw/zinc/72/52/38/448725238.db2.gz	OLVWWODEGXTDNW-UHFFFAOYSA-N	2	1	335.404	1.770	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)CCO2	ZINC000592182672	448725241	/nfs/dbraw/zinc/72/52/41/448725241.db2.gz	OLVWWODEGXTDNW-UHFFFAOYSA-N	2	1	335.404	1.770	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000597942266	449152202	/nfs/dbraw/zinc/15/22/02/449152202.db2.gz	JQQUHQMDKPVFEO-AWEZNQCLSA-N	2	1	336.436	1.526	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cccc([N+](=O)[O-])c1	ZINC000597942266	449152204	/nfs/dbraw/zinc/15/22/04/449152204.db2.gz	JQQUHQMDKPVFEO-AWEZNQCLSA-N	2	1	336.436	1.526	20	5		EDBDMP
C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505826	450193138	/nfs/dbraw/zinc/19/31/38/450193138.db2.gz	ZCWSWESBCYZBMK-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505826	450193145	/nfs/dbraw/zinc/19/31/45/450193145.db2.gz	ZCWSWESBCYZBMK-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505826	450193152	/nfs/dbraw/zinc/19/31/52/450193152.db2.gz	ZCWSWESBCYZBMK-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccccc1[N+](=O)[O-])C2	ZINC000595505826	450193157	/nfs/dbraw/zinc/19/31/57/450193157.db2.gz	ZCWSWESBCYZBMK-QAPCUYQASA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CC[C@]2(C1)CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506871	450194245	/nfs/dbraw/zinc/19/42/45/450194245.db2.gz	IFINBQIKPCABBG-AEFFLSMTSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506871	450194249	/nfs/dbraw/zinc/19/42/49/450194249.db2.gz	IFINBQIKPCABBG-AEFFLSMTSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506871	450194255	/nfs/dbraw/zinc/19/42/55/450194255.db2.gz	IFINBQIKPCABBG-AEFFLSMTSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506871	450194260	/nfs/dbraw/zinc/19/42/60/450194260.db2.gz	IFINBQIKPCABBG-AEFFLSMTSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506871	450194264	/nfs/dbraw/zinc/19/42/64/450194264.db2.gz	IFINBQIKPCABBG-AEFFLSMTSA-N	2	1	349.431	1.752	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@](C)(C[NH3+])C2)c([N+](=O)[O-])c1	ZINC000261678343	536761781	/nfs/dbraw/zinc/76/17/81/536761781.db2.gz	JTSMRHFRAOHMDO-MRXNPFEDSA-N	2	1	336.392	1.603	20	5		EDBDMP
COCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000819006736	593733750	/nfs/dbraw/zinc/73/37/50/593733750.db2.gz	JVJJBBUZDUCIML-KRWDZBQOSA-N	2	1	337.420	1.719	20	5		EDBDMP
C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000867947052	596629512	/nfs/dbraw/zinc/62/95/12/596629512.db2.gz	YAERLDNEXKUQAQ-IFIJOSMWSA-N	2	1	334.420	1.710	20	5		EDBDMP
C[C@@H]1C[C@@H](N(C)C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000867947052	596629516	/nfs/dbraw/zinc/62/95/16/596629516.db2.gz	YAERLDNEXKUQAQ-IFIJOSMWSA-N	2	1	334.420	1.710	20	5		EDBDMP
O=[N+]([O-])c1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cs1	ZINC000414994611	304149425	/nfs/dbraw/zinc/14/94/25/304149425.db2.gz	VQEPPYWGKGYKTR-JTQLQIEISA-N	2	1	338.355	1.582	20	5		EDBDMP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000360874062	152237391	/nfs/dbraw/zinc/23/73/91/152237391.db2.gz	ZVBLZIAOWGPHKD-VDHUWJSZSA-N	2	1	349.431	1.812	20	5		EDBDMP
C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000360874062	152237394	/nfs/dbraw/zinc/23/73/94/152237394.db2.gz	ZVBLZIAOWGPHKD-VDHUWJSZSA-N	2	1	349.431	1.812	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000351487859	446090122	/nfs/dbraw/zinc/09/01/22/446090122.db2.gz	CYBDKBNGQVSZJE-IACUBPJLSA-N	2	1	348.403	1.601	20	5		EDBDMP
C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000442788617	446967909	/nfs/dbraw/zinc/96/79/09/446967909.db2.gz	YCHQSWRAZNJVHK-NWDGAFQWSA-N	2	1	334.376	1.562	20	5		EDBDMP
C[N@H+](CC1CC[NH+](C)CC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21	ZINC000794626208	580900181	/nfs/dbraw/zinc/90/01/81/580900181.db2.gz	OGJGPGFHAZATDF-UHFFFAOYSA-N	2	1	334.376	1.734	20	5		EDBDMP
C[N@@H+](CC1CC[NH+](C)CC1)Cn1c(=O)oc2cccc([N+](=O)[O-])c21	ZINC000794626208	580900182	/nfs/dbraw/zinc/90/01/82/580900182.db2.gz	OGJGPGFHAZATDF-UHFFFAOYSA-N	2	1	334.376	1.734	20	5		EDBDMP
C[C@]([NH3+])(C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1cccc([N+](=O)[O-])c1	ZINC000870884535	596388975	/nfs/dbraw/zinc/38/89/75/596388975.db2.gz	ZPURIPAFYAVGPD-SJLPKXTDSA-N	2	1	346.431	1.856	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000873193392	597223475	/nfs/dbraw/zinc/22/34/75/597223475.db2.gz	OOFDFEDXOUOJNG-QMCVQRASSA-N	2	1	335.404	1.206	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1	ZINC000873193392	597223477	/nfs/dbraw/zinc/22/34/77/597223477.db2.gz	OOFDFEDXOUOJNG-QMCVQRASSA-N	2	1	335.404	1.206	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1	ZINC000873193392	597223478	/nfs/dbraw/zinc/22/34/78/597223478.db2.gz	OOFDFEDXOUOJNG-QMCVQRASSA-N	2	1	335.404	1.206	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270485	273185506	/nfs/dbraw/zinc/18/55/06/273185506.db2.gz	RQEUVEUDQJWODC-CABCVRRESA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270485	273185507	/nfs/dbraw/zinc/18/55/07/273185507.db2.gz	RQEUVEUDQJWODC-CABCVRRESA-N	2	1	337.420	1.751	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1	ZINC000430933624	305069129	/nfs/dbraw/zinc/06/91/29/305069129.db2.gz	LJZJGJCBWVJFJS-LLVKDONJSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1ccc([N+](=O)[O-])cc1	ZINC000182968736	442857759	/nfs/dbraw/zinc/85/77/59/442857759.db2.gz	OFWZTJBNIAAPJP-UHFFFAOYSA-N	2	1	336.436	1.543	20	5		EDBDMP
C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1	ZINC000265943282	442978848	/nfs/dbraw/zinc/97/88/48/442978848.db2.gz	GEQMPOKCTPSUMY-HOCLYGCPSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1	ZINC000265943282	442978854	/nfs/dbraw/zinc/97/88/54/442978854.db2.gz	GEQMPOKCTPSUMY-HOCLYGCPSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1	ZINC000265943282	442978860	/nfs/dbraw/zinc/97/88/60/442978860.db2.gz	GEQMPOKCTPSUMY-HOCLYGCPSA-N	2	1	337.420	1.608	20	5		EDBDMP
Cc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000302457053	444213865	/nfs/dbraw/zinc/21/38/65/444213865.db2.gz	TXXKVBGZUILQOT-ZDUSSCGKSA-N	2	1	330.388	1.954	20	5		EDBDMP
Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000581662130	322205007	/nfs/dbraw/zinc/20/50/07/322205007.db2.gz	XLWWIGHRRFFNMO-OAHLLOKOSA-N	2	1	334.376	1.519	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000351474634	446075033	/nfs/dbraw/zinc/07/50/33/446075033.db2.gz	GNHBLBYOCGFKST-IHRRRGAJSA-N	2	1	332.404	1.901	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000596361851	449483102	/nfs/dbraw/zinc/48/31/02/449483102.db2.gz	CSZHZMDOUDEOQH-LBPRGKRZSA-N	2	1	337.424	1.378	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000596361851	449483105	/nfs/dbraw/zinc/48/31/05/449483105.db2.gz	CSZHZMDOUDEOQH-LBPRGKRZSA-N	2	1	337.424	1.378	20	5		EDBDMP
C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)ccc2[N+](=O)[O-])CC[NH+]1C	ZINC000895735761	591264554	/nfs/dbraw/zinc/26/45/54/591264554.db2.gz	GZDVLTWHJWMCNR-AAVRWANBSA-N	2	1	348.451	1.999	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])c(N[C@@H]3CC[N@H+](C)[C@@H]3C)n2)CC[NH+]1C	ZINC000895735761	591264555	/nfs/dbraw/zinc/26/45/55/591264555.db2.gz	GZDVLTWHJWMCNR-AAVRWANBSA-N	2	1	348.451	1.999	20	5		EDBDMP
Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccccc2[N+](=O)[O-])cnn1C	ZINC000903883987	592362660	/nfs/dbraw/zinc/36/26/60/592362660.db2.gz	NXZDKEOIEIBDGK-AWEZNQCLSA-N	2	1	331.420	1.886	20	5		EDBDMP
Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cnn1C	ZINC000903883987	592362665	/nfs/dbraw/zinc/36/26/65/592362665.db2.gz	NXZDKEOIEIBDGK-AWEZNQCLSA-N	2	1	331.420	1.886	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1	ZINC000819083797	593737794	/nfs/dbraw/zinc/73/77/94/593737794.db2.gz	FXUGBPXRWAUCIP-KSSFIOAISA-N	2	1	349.431	1.719	20	5		EDBDMP
CC(C)[N@@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1	ZINC000870880654	596387552	/nfs/dbraw/zinc/38/75/52/596387552.db2.gz	IKSWDSWXIOGNBR-KRWDZBQOSA-N	2	1	334.420	1.711	20	5		EDBDMP
CC(C)[N@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1	ZINC000870880654	596387553	/nfs/dbraw/zinc/38/75/53/596387553.db2.gz	IKSWDSWXIOGNBR-KRWDZBQOSA-N	2	1	334.420	1.711	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000181903864	234373766	/nfs/dbraw/zinc/37/37/66/234373766.db2.gz	STUDXHNJTZOHLM-HZPDHXFCSA-N	2	1	349.431	1.752	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000181903864	234373769	/nfs/dbraw/zinc/37/37/69/234373769.db2.gz	STUDXHNJTZOHLM-HZPDHXFCSA-N	2	1	349.431	1.752	20	5		EDBDMP
CC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478573	139165802	/nfs/dbraw/zinc/16/58/02/139165802.db2.gz	ZKKUCQBDLMDLCK-HUUCEWRRSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478573	139165803	/nfs/dbraw/zinc/16/58/03/139165803.db2.gz	ZKKUCQBDLMDLCK-HUUCEWRRSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478573	139165804	/nfs/dbraw/zinc/16/58/04/139165804.db2.gz	ZKKUCQBDLMDLCK-HUUCEWRRSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478573	139165805	/nfs/dbraw/zinc/16/58/05/139165805.db2.gz	ZKKUCQBDLMDLCK-HUUCEWRRSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478573	139165806	/nfs/dbraw/zinc/16/58/06/139165806.db2.gz	ZKKUCQBDLMDLCK-HUUCEWRRSA-N	2	1	337.420	1.608	20	5		EDBDMP
COC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1[N+](=O)[O-]	ZINC000414854379	447329300	/nfs/dbraw/zinc/32/93/00/447329300.db2.gz	LTZHHBWLLHPABA-CYBMUJFWSA-N	2	1	337.376	1.236	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000428032575	305004593	/nfs/dbraw/zinc/00/45/93/305004593.db2.gz	KJMLAUBTSQPNFD-GXTWGEPZSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000428032575	305004594	/nfs/dbraw/zinc/00/45/94/305004594.db2.gz	KJMLAUBTSQPNFD-GXTWGEPZSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428041354	305005169	/nfs/dbraw/zinc/00/51/69/305005169.db2.gz	HWHUIQBBWPGUIL-JSGCOSHPSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428041354	305005170	/nfs/dbraw/zinc/00/51/70/305005170.db2.gz	HWHUIQBBWPGUIL-JSGCOSHPSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C	ZINC000430589794	305057481	/nfs/dbraw/zinc/05/74/81/305057481.db2.gz	JAOPCWSPPQXGNF-INIZCTEOSA-N	2	1	338.408	1.895	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1	ZINC000430933625	305069031	/nfs/dbraw/zinc/06/90/31/305069031.db2.gz	LJZJGJCBWVJFJS-NSHDSACASA-N	2	1	336.392	1.601	20	5		EDBDMP
Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1	ZINC000363135493	445691866	/nfs/dbraw/zinc/69/18/66/445691866.db2.gz	VNKJRDPKDZXSAR-CQSZACIVSA-N	2	1	330.392	1.929	20	5		EDBDMP
Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1	ZINC000363135493	445691869	/nfs/dbraw/zinc/69/18/69/445691869.db2.gz	VNKJRDPKDZXSAR-CQSZACIVSA-N	2	1	330.392	1.929	20	5		EDBDMP
Cn1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000359463857	446239166	/nfs/dbraw/zinc/23/91/66/446239166.db2.gz	ZZMVKWWIKCMBFX-OKILXGFUSA-N	2	1	327.388	1.647	20	5		EDBDMP
Cn1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000359463857	446239170	/nfs/dbraw/zinc/23/91/70/446239170.db2.gz	ZZMVKWWIKCMBFX-OKILXGFUSA-N	2	1	327.388	1.647	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CCCO[C@H](C[NH3+])C1	ZINC000420390023	446565448	/nfs/dbraw/zinc/56/54/48/446565448.db2.gz	MYRNVHDKEHIFMR-CQSZACIVSA-N	2	1	336.392	1.281	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCCO[C@H](C[NH3+])C1	ZINC000420390023	446565456	/nfs/dbraw/zinc/56/54/56/446565456.db2.gz	MYRNVHDKEHIFMR-CQSZACIVSA-N	2	1	336.392	1.281	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C	ZINC000442770543	446961509	/nfs/dbraw/zinc/96/15/09/446961509.db2.gz	XWALPVJMZZSUFS-NWDGAFQWSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430559481	447778566	/nfs/dbraw/zinc/77/85/66/447778566.db2.gz	XHGRQLAHDDMHKN-QWHCGFSZSA-N	2	1	348.403	1.952	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21	ZINC000592428587	448831781	/nfs/dbraw/zinc/83/17/81/448831781.db2.gz	BWMMBTGDSXCRKG-MRVWCRGKSA-N	2	1	333.388	1.925	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(cc3[N+](=O)[O-])OCCO4)C[C@H]21	ZINC000592428587	448831785	/nfs/dbraw/zinc/83/17/85/448831785.db2.gz	BWMMBTGDSXCRKG-MRVWCRGKSA-N	2	1	333.388	1.925	20	5		EDBDMP
O=[N+]([O-])c1ccc2nccc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1	ZINC000601172232	449732482	/nfs/dbraw/zinc/73/24/82/449732482.db2.gz	YGWJVHWUIFPWAI-OKILXGFUSA-N	2	1	328.372	1.840	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1	ZINC000601172232	449732488	/nfs/dbraw/zinc/73/24/88/449732488.db2.gz	YGWJVHWUIFPWAI-OKILXGFUSA-N	2	1	328.372	1.840	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1	ZINC000819063041	593736864	/nfs/dbraw/zinc/73/68/64/593736864.db2.gz	VXURYOJMLGSXPQ-ZWKOTPCHSA-N	2	1	349.431	1.861	20	5		EDBDMP
C[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCC1(C)C	ZINC000877207118	597462794	/nfs/dbraw/zinc/46/27/94/597462794.db2.gz	ZNEDYSBGDUSEFX-KRWDZBQOSA-N	2	1	334.420	1.711	20	5		EDBDMP
C[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CCC1(C)C	ZINC000877207118	597462795	/nfs/dbraw/zinc/46/27/95/597462795.db2.gz	ZNEDYSBGDUSEFX-KRWDZBQOSA-N	2	1	334.420	1.711	20	5		EDBDMP
[NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3ccc([N+](=O)[O-])cc3C2)C1	ZINC000414695169	304128624	/nfs/dbraw/zinc/12/86/24/304128624.db2.gz	OGROHNLDCGMFGJ-ZDUSSCGKSA-N	2	1	332.404	1.150	20	5		EDBDMP
C[NH+](C)CCNC(=O)C1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1	ZINC000195519290	139019403	/nfs/dbraw/zinc/01/94/03/139019403.db2.gz	RINZJLRNKYHLTN-UHFFFAOYSA-N	2	1	340.449	1.546	20	5		EDBDMP
COc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1	ZINC000358509056	151399743	/nfs/dbraw/zinc/39/97/43/151399743.db2.gz	PUDDLTRFFAFTAZ-UHFFFAOYSA-N	2	1	348.403	1.617	20	5		EDBDMP
COc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1	ZINC000358509056	151399744	/nfs/dbraw/zinc/39/97/44/151399744.db2.gz	PUDDLTRFFAFTAZ-UHFFFAOYSA-N	2	1	348.403	1.617	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c([N+](=O)[O-])c1	ZINC000430963372	305071289	/nfs/dbraw/zinc/07/12/89/305071289.db2.gz	UQXTUHUPBKRNOD-AAEUAGOBSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000342089730	445166158	/nfs/dbraw/zinc/16/61/58/445166158.db2.gz	BHHTWUNOCFVUQW-KOZAUXTDSA-N	2	1	332.404	1.981	20	5		EDBDMP
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1	ZINC000342089730	445166161	/nfs/dbraw/zinc/16/61/61/445166161.db2.gz	BHHTWUNOCFVUQW-KOZAUXTDSA-N	2	1	332.404	1.981	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357094072	445425002	/nfs/dbraw/zinc/42/50/02/445425002.db2.gz	YBEYWVKUXZCSSL-KBPBESRZSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357094072	445425005	/nfs/dbraw/zinc/42/50/05/445425005.db2.gz	YBEYWVKUXZCSSL-KBPBESRZSA-N	2	1	332.404	1.773	20	5		EDBDMP
C[N@H+]1CCC[C@@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000363180065	445710223	/nfs/dbraw/zinc/71/02/23/445710223.db2.gz	WVDOOZPMGSIHLD-GOSISDBHSA-N	2	1	332.448	1.849	20	5		EDBDMP
C[N@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000363180065	445710226	/nfs/dbraw/zinc/71/02/26/445710226.db2.gz	WVDOOZPMGSIHLD-GOSISDBHSA-N	2	1	332.448	1.849	20	5		EDBDMP
[NH3+]CCC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000519710131	448825307	/nfs/dbraw/zinc/82/53/07/448825307.db2.gz	UTGUZAYYGHWUNS-UHFFFAOYSA-N	2	1	332.404	1.545	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000597942277	449152173	/nfs/dbraw/zinc/15/21/73/449152173.db2.gz	JYDAQNXUACKCHO-NSHDSACASA-N	2	1	328.438	1.658	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1csc([N+](=O)[O-])c1	ZINC000597942277	449152176	/nfs/dbraw/zinc/15/21/76/449152176.db2.gz	JYDAQNXUACKCHO-NSHDSACASA-N	2	1	328.438	1.658	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000819083796	593737903	/nfs/dbraw/zinc/73/79/03/593737903.db2.gz	FXUGBPXRWAUCIP-KDOFPFPSSA-N	2	1	349.431	1.719	20	5		EDBDMP
CN(CC1CC[NH+](C)CC1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000870881601	596388104	/nfs/dbraw/zinc/38/81/04/596388104.db2.gz	CAFNMUJNJRCOEF-KRWDZBQOSA-N	2	1	334.420	1.569	20	5		EDBDMP
O=[N+]([O-])c1ccc(CC[NH+]2CCC(O)(C[NH+]3CCOCC3)CC2)cc1	ZINC000375000478	275035164	/nfs/dbraw/zinc/03/51/64/275035164.db2.gz	WUANAHJCKSUHCQ-UHFFFAOYSA-N	2	1	349.431	1.296	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428044905	305005357	/nfs/dbraw/zinc/00/53/57/305005357.db2.gz	NXUUOYOREMKCAJ-XJKSGUPXSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428044905	305005358	/nfs/dbraw/zinc/00/53/58/305005358.db2.gz	NXUUOYOREMKCAJ-XJKSGUPXSA-N	2	1	332.404	1.916	20	5		EDBDMP
O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1	ZINC000420315326	319609758	/nfs/dbraw/zinc/60/97/58/319609758.db2.gz	LRLZJCAUHGULLG-GFCCVEGCSA-N	2	1	338.433	1.414	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000420323848	446490050	/nfs/dbraw/zinc/49/00/50/446490050.db2.gz	ABVPPZGITCCXII-MCIONIFRSA-N	2	1	332.404	1.853	20	5		EDBDMP
CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000602528154	449651111	/nfs/dbraw/zinc/65/11/11/449651111.db2.gz	POOYGAGZUAXBKU-KRWDZBQOSA-N	2	1	348.447	1.670	20	5		EDBDMP
CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000602528154	449651114	/nfs/dbraw/zinc/65/11/14/449651114.db2.gz	POOYGAGZUAXBKU-KRWDZBQOSA-N	2	1	348.447	1.670	20	5		EDBDMP
C[C@@]([NH3+])(C(=O)N1CC[C@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1	ZINC000870892287	596392970	/nfs/dbraw/zinc/39/29/70/596392970.db2.gz	SGJOKYZVZLMCQV-KDOFPFPSSA-N	2	1	346.431	1.713	20	5		EDBDMP
C[NH+]1CCN(C2CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC2)CC1	ZINC000879592057	597649164	/nfs/dbraw/zinc/64/91/64/597649164.db2.gz	COFCBXMMBHYCSA-UHFFFAOYSA-N	2	1	348.447	1.685	20	5		EDBDMP
CC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478574	139165769	/nfs/dbraw/zinc/16/57/69/139165769.db2.gz	ZKKUCQBDLMDLCK-LSDHHAIUSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478574	139165770	/nfs/dbraw/zinc/16/57/70/139165770.db2.gz	ZKKUCQBDLMDLCK-LSDHHAIUSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478574	139165771	/nfs/dbraw/zinc/16/57/71/139165771.db2.gz	ZKKUCQBDLMDLCK-LSDHHAIUSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478574	139165772	/nfs/dbraw/zinc/16/57/72/139165772.db2.gz	ZKKUCQBDLMDLCK-LSDHHAIUSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000248478574	139165773	/nfs/dbraw/zinc/16/57/73/139165773.db2.gz	ZKKUCQBDLMDLCK-LSDHHAIUSA-N	2	1	337.420	1.608	20	5		EDBDMP
Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000572631278	306596093	/nfs/dbraw/zinc/59/60/93/306596093.db2.gz	GDEHVEIETZYSIM-CQSZACIVSA-N	2	1	334.376	1.519	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1	ZINC000360554869	152093205	/nfs/dbraw/zinc/09/32/05/152093205.db2.gz	ZGVQNWPYBZXIKJ-KRWDZBQOSA-N	2	1	332.404	1.917	20	5		EDBDMP
Cc1cc(N2CCC[N@H+](CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000373801037	157010292	/nfs/dbraw/zinc/01/02/92/157010292.db2.gz	PBYRREKARKMNJF-UHFFFAOYSA-N	2	1	343.387	1.449	20	5		EDBDMP
Cc1cc(N2CCC[N@@H+](CC(N)=O)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000373801037	157010295	/nfs/dbraw/zinc/01/02/95/157010295.db2.gz	PBYRREKARKMNJF-UHFFFAOYSA-N	2	1	343.387	1.449	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000090564490	441635800	/nfs/dbraw/zinc/63/58/00/441635800.db2.gz	LWIAVHIHKHOTNT-RHSMWYFYSA-N	2	1	346.431	1.705	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1	ZINC000090564490	441635802	/nfs/dbraw/zinc/63/58/02/441635802.db2.gz	LWIAVHIHKHOTNT-RHSMWYFYSA-N	2	1	346.431	1.705	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1	ZINC000090564490	441635804	/nfs/dbraw/zinc/63/58/04/441635804.db2.gz	LWIAVHIHKHOTNT-RHSMWYFYSA-N	2	1	346.431	1.705	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1	ZINC000090564490	441635805	/nfs/dbraw/zinc/63/58/05/441635805.db2.gz	LWIAVHIHKHOTNT-RHSMWYFYSA-N	2	1	346.431	1.705	20	5		EDBDMP
COC[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]1	ZINC000423418031	446524960	/nfs/dbraw/zinc/52/49/60/446524960.db2.gz	UAGIBNIPXLATOQ-OFQRWUPVSA-N	2	1	337.424	1.633	20	5		EDBDMP
[NH3+]CC[C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000443060966	447001999	/nfs/dbraw/zinc/00/19/99/447001999.db2.gz	QIKGPGJRBMQZHM-CYBMUJFWSA-N	2	1	348.403	1.954	20	5		EDBDMP
C[N@@H+]1CC=C(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1	ZINC000602581375	449687481	/nfs/dbraw/zinc/68/74/81/449687481.db2.gz	IZFXNBWTCHVLOX-UHFFFAOYSA-N	2	1	331.420	1.810	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594668	580725417	/nfs/dbraw/zinc/72/54/17/580725417.db2.gz	OJMAFTYJEWAOJX-TZMCWYRMSA-N	2	1	349.435	1.415	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594668	580725418	/nfs/dbraw/zinc/72/54/18/580725418.db2.gz	OJMAFTYJEWAOJX-TZMCWYRMSA-N	2	1	349.435	1.415	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1	ZINC000819061420	593736551	/nfs/dbraw/zinc/73/65/51/593736551.db2.gz	LLQJXWVUFTZQPC-ROUUACIJSA-N	2	1	349.431	1.861	20	5		EDBDMP
Cn1cc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000415038904	304153488	/nfs/dbraw/zinc/15/34/88/304153488.db2.gz	MICUAPQRQMQTJU-MRXNPFEDSA-N	2	1	345.403	1.463	20	5		EDBDMP
O=C(NC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1	ZINC000262179451	139257834	/nfs/dbraw/zinc/25/78/34/139257834.db2.gz	INAMCGZNTRQRCL-DOTOQJQBSA-N	2	1	346.431	1.675	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358503699	319112794	/nfs/dbraw/zinc/11/27/94/319112794.db2.gz	FFRSNDIVIIXDQO-CYBMUJFWSA-N	2	1	332.404	1.997	20	5		EDBDMP
CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1	ZINC000342095366	445169375	/nfs/dbraw/zinc/16/93/75/445169375.db2.gz	GJRBEGYPVHAJTH-RCBQFDQVSA-N	2	1	332.404	1.617	20	5		EDBDMP
CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1	ZINC000342095366	445169379	/nfs/dbraw/zinc/16/93/79/445169379.db2.gz	GJRBEGYPVHAJTH-RCBQFDQVSA-N	2	1	332.404	1.617	20	5		EDBDMP
C[NH+]1CCC([NH+]2CCC(CCNc3ncc([N+](=O)[O-])cn3)CC2)CC1	ZINC000363885807	445881661	/nfs/dbraw/zinc/88/16/61/445881661.db2.gz	RIZIJDSWKGIUSS-UHFFFAOYSA-N	2	1	348.451	1.993	20	5		EDBDMP
CN1CCC([N@@H+]2CC[C@H](NC(=O)c3c(N)cccc3[N+](=O)[O-])C2)CC1	ZINC000367899163	446606445	/nfs/dbraw/zinc/60/64/45/446606445.db2.gz	BLFCTSRCUWUXBY-LBPRGKRZSA-N	2	1	347.419	1.075	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c([N+](=O)[O-])c1	ZINC000442776914	446963039	/nfs/dbraw/zinc/96/30/39/446963039.db2.gz	HXNRAHOUELLFEQ-NEPJUHHUSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2	ZINC000600744061	449529903	/nfs/dbraw/zinc/52/99/03/449529903.db2.gz	ADZFXZBDVCJBGT-CALCHBBNSA-N	2	1	332.404	1.855	20	5		EDBDMP
C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C2	ZINC000600744061	449529907	/nfs/dbraw/zinc/52/99/07/449529907.db2.gz	ADZFXZBDVCJBGT-CALCHBBNSA-N	2	1	332.404	1.855	20	5		EDBDMP
O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1	ZINC000903718821	592280889	/nfs/dbraw/zinc/28/08/89/592280889.db2.gz	RIGYNARXGKBCBA-QAPCUYQASA-N	2	1	346.431	1.485	20	5		EDBDMP
CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(F)cc2[N+](=O)[O-])C1	ZINC000853686177	595855441	/nfs/dbraw/zinc/85/54/41/595855441.db2.gz	VTIKOAJHJBLBAJ-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(F)cc2[N+](=O)[O-])C1	ZINC000853686177	595855443	/nfs/dbraw/zinc/85/54/43/595855443.db2.gz	VTIKOAJHJBLBAJ-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
C[NH+](C)Cc1ccc(C[N@@H+](C)CCn2cc([N+](=O)[O-])ccc2=O)cc1	ZINC000859211962	596005761	/nfs/dbraw/zinc/00/57/61/596005761.db2.gz	IAHLPFCOKLEDHM-UHFFFAOYSA-N	2	1	344.415	1.950	20	5		EDBDMP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000866709197	596303306	/nfs/dbraw/zinc/30/33/06/596303306.db2.gz	ITXXUSCNZYIDBL-OJDYBEQGSA-N	2	1	346.387	1.523	20	5		EDBDMP
Cc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-]	ZINC000866711199	596304225	/nfs/dbraw/zinc/30/42/25/596304225.db2.gz	DZLKXVHNWNYBDT-IMJJTQAJSA-N	2	1	346.387	1.270	20	5		EDBDMP
Cc1ccc(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-]	ZINC000866711199	596304229	/nfs/dbraw/zinc/30/42/29/596304229.db2.gz	DZLKXVHNWNYBDT-IMJJTQAJSA-N	2	1	346.387	1.270	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@H](CN2CCOCC2)C1	ZINC000129307671	223042868	/nfs/dbraw/zinc/04/28/68/223042868.db2.gz	PQFGVVODLOPKMH-HNNXBMFYSA-N	2	1	335.404	1.628	20	5		EDBDMP
CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1	ZINC000332521594	141195524	/nfs/dbraw/zinc/19/55/24/141195524.db2.gz	ZKDYXNCXMMTTMV-UHFFFAOYSA-N	2	1	347.463	1.764	20	5		EDBDMP
CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000364206215	153173177	/nfs/dbraw/zinc/17/31/77/153173177.db2.gz	JXLBZNKHELZVKL-CQSZACIVSA-N	2	1	332.404	1.493	20	5		EDBDMP
CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000364206215	153173179	/nfs/dbraw/zinc/17/31/79/153173179.db2.gz	JXLBZNKHELZVKL-CQSZACIVSA-N	2	1	332.404	1.493	20	5		EDBDMP
CC[NH2+]CC1CC[NH+](CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000430575159	305056764	/nfs/dbraw/zinc/05/67/64/305056764.db2.gz	KHYNTVPJHBQFIU-UHFFFAOYSA-N	2	1	334.420	1.879	20	5		EDBDMP
Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000357094443	445424514	/nfs/dbraw/zinc/42/45/14/445424514.db2.gz	ZQOHPVDPZKYCAK-ZIAGYGMSSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000357094443	445424520	/nfs/dbraw/zinc/42/45/20/445424520.db2.gz	ZQOHPVDPZKYCAK-ZIAGYGMSSA-N	2	1	332.404	1.773	20	5		EDBDMP
COc1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1O	ZINC000369346938	446088770	/nfs/dbraw/zinc/08/87/70/446088770.db2.gz	DIEOQEIEZIOQKC-LLVKDONJSA-N	2	1	332.360	1.858	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1	ZINC000591726506	448473705	/nfs/dbraw/zinc/47/37/05/448473705.db2.gz	ANGNTQKGJWSYRV-SOUVJXGZSA-N	2	1	335.404	1.551	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000591726504	448474252	/nfs/dbraw/zinc/47/42/52/448474252.db2.gz	ANGNTQKGJWSYRV-RBSFLKMASA-N	2	1	335.404	1.551	20	5		EDBDMP
C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000584346574	448491596	/nfs/dbraw/zinc/49/15/96/448491596.db2.gz	QGZMSAMKFXFFHH-HOCLYGCPSA-N	2	1	337.420	1.656	20	5		EDBDMP
CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000518171124	448650331	/nfs/dbraw/zinc/65/03/31/448650331.db2.gz	QZBNNOBAVMXLEH-HOCLYGCPSA-N	2	1	339.440	1.110	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CCN1CC[NH2+]CC1	ZINC000592472102	448851921	/nfs/dbraw/zinc/85/19/21/448851921.db2.gz	LFZDTFNGBYMMEX-UHFFFAOYSA-N	2	1	349.435	1.069	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(N)c([N+](=O)[O-])c(CO)c1	ZINC000596359616	449481839	/nfs/dbraw/zinc/48/18/39/449481839.db2.gz	CWBNGZMABFJXJS-LBPRGKRZSA-N	2	1	339.440	1.353	20	5		EDBDMP
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21	ZINC000602796971	449816030	/nfs/dbraw/zinc/81/60/30/449816030.db2.gz	LDEMGXUCCLFNBQ-SOUVJXGZSA-N	2	1	337.424	1.283	20	5		EDBDMP
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21	ZINC000602796971	449816035	/nfs/dbraw/zinc/81/60/35/449816035.db2.gz	LDEMGXUCCLFNBQ-SOUVJXGZSA-N	2	1	337.424	1.283	20	5		EDBDMP
C[N@H+]1CC[C@@]2(C1)CCCN(C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506875	450194791	/nfs/dbraw/zinc/19/47/91/450194791.db2.gz	IFINBQIKPCABBG-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506875	450194797	/nfs/dbraw/zinc/19/47/97/450194797.db2.gz	IFINBQIKPCABBG-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506875	450194805	/nfs/dbraw/zinc/19/48/05/450194805.db2.gz	IFINBQIKPCABBG-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506875	450194811	/nfs/dbraw/zinc/19/48/11/450194811.db2.gz	IFINBQIKPCABBG-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506875	450194815	/nfs/dbraw/zinc/19/48/15/450194815.db2.gz	IFINBQIKPCABBG-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
[NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2	ZINC000903843473	592343087	/nfs/dbraw/zinc/34/30/87/592343087.db2.gz	LNWZBTJUQQVQCY-APYUEPQZSA-N	2	1	330.388	1.512	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000819063038	593736720	/nfs/dbraw/zinc/73/67/20/593736720.db2.gz	VXURYOJMLGSXPQ-MSOLQXFVSA-N	2	1	349.431	1.861	20	5		EDBDMP
Cc1c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cccc1[N+](=O)[O-]	ZINC000877549073	597534272	/nfs/dbraw/zinc/53/42/72/597534272.db2.gz	XSHHMFSMRDALPR-UHFFFAOYSA-N	2	1	348.447	1.985	20	5		EDBDMP
CCC[N@@H+](CCn1ccc([N+](=O)[O-])n1)CCN1CC[NH+](CC)CC1	ZINC000344143227	283269147	/nfs/dbraw/zinc/26/91/47/283269147.db2.gz	MTKZFYCCDLKQHA-UHFFFAOYSA-N	2	1	338.456	1.141	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@@H]21	ZINC000342142700	444531796	/nfs/dbraw/zinc/53/17/96/444531796.db2.gz	VZBLBSCPZYLDQV-VBNZEHGJSA-N	2	1	332.404	1.983	20	5		EDBDMP
[NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@H]12	ZINC000351479566	446080521	/nfs/dbraw/zinc/08/05/21/446080521.db2.gz	RXXDDXCFEDGBDO-CAPXZKIUSA-N	2	1	330.388	1.369	20	5		EDBDMP
CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000609560134	450051163	/nfs/dbraw/zinc/05/11/63/450051163.db2.gz	VMPMEODWESMRJP-CYBMUJFWSA-N	2	1	335.408	1.163	20	5		EDBDMP
CC[NH+](CC)[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870894757	596393397	/nfs/dbraw/zinc/39/33/97/596393397.db2.gz	GIBLFZILTCBHGK-RDJZCZTQSA-N	2	1	334.420	1.711	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000870983941	596429119	/nfs/dbraw/zinc/42/91/19/596429119.db2.gz	ZNYWWGSEGYUDSQ-SRCQZFHVSA-N	2	1	332.404	1.321	20	5		EDBDMP
C[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000870983941	596429120	/nfs/dbraw/zinc/42/91/20/596429120.db2.gz	ZNYWWGSEGYUDSQ-SRCQZFHVSA-N	2	1	332.404	1.321	20	5		EDBDMP
COC(=O)COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000261805615	139227692	/nfs/dbraw/zinc/22/76/92/139227692.db2.gz	HHMBADXYPGXHCJ-DGCLKSJQSA-N	2	1	337.376	1.316	20	5		EDBDMP
COC(=O)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1[N+](=O)[O-]	ZINC000261805615	139227693	/nfs/dbraw/zinc/22/76/93/139227693.db2.gz	HHMBADXYPGXHCJ-DGCLKSJQSA-N	2	1	337.376	1.316	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000261973506	139240996	/nfs/dbraw/zinc/24/09/96/139240996.db2.gz	QNMCQDPESJDZOU-GFCCVEGCSA-N	2	1	340.811	1.535	20	5		EDBDMP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000360874060	152237759	/nfs/dbraw/zinc/23/77/59/152237759.db2.gz	ZVBLZIAOWGPHKD-DDBAPUKQSA-N	2	1	349.431	1.812	20	5		EDBDMP
C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)c1cccc([N+](=O)[O-])c1	ZINC000360874060	152237760	/nfs/dbraw/zinc/23/77/60/152237760.db2.gz	ZVBLZIAOWGPHKD-DDBAPUKQSA-N	2	1	349.431	1.812	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CCC[C@@H](C[NH3+])C2)c([N+](=O)[O-])c1	ZINC000430614710	305059179	/nfs/dbraw/zinc/05/91/79/305059179.db2.gz	ZYYSZZNLHOBJIL-LBPRGKRZSA-N	2	1	336.392	1.603	20	5		EDBDMP
C[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1	ZINC000265943283	442978793	/nfs/dbraw/zinc/97/87/93/442978793.db2.gz	GEQMPOKCTPSUMY-ZBFHGGJFSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1	ZINC000265943283	442978799	/nfs/dbraw/zinc/97/87/99/442978799.db2.gz	GEQMPOKCTPSUMY-ZBFHGGJFSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1	ZINC000265943283	442978803	/nfs/dbraw/zinc/97/88/03/442978803.db2.gz	GEQMPOKCTPSUMY-ZBFHGGJFSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[N@@H+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C	ZINC000285365355	443957521	/nfs/dbraw/zinc/95/75/21/443957521.db2.gz	BSLXPFNYAZGNAZ-QXULXFAOSA-N	2	1	349.431	1.892	20	5		EDBDMP
C[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C	ZINC000285365355	443957524	/nfs/dbraw/zinc/95/75/24/443957524.db2.gz	BSLXPFNYAZGNAZ-QXULXFAOSA-N	2	1	349.431	1.892	20	5		EDBDMP
C[NH+](C[C@H](O)COc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000285365355	443957527	/nfs/dbraw/zinc/95/75/27/443957527.db2.gz	BSLXPFNYAZGNAZ-QXULXFAOSA-N	2	1	349.431	1.892	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21	ZINC000342142696	444531480	/nfs/dbraw/zinc/53/14/80/444531480.db2.gz	VZBLBSCPZYLDQV-DAXOMENPSA-N	2	1	332.404	1.983	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000351486460	446086120	/nfs/dbraw/zinc/08/61/20/446086120.db2.gz	AWKPJQCZAQVSFS-QEJZJMRPSA-N	2	1	332.404	1.901	20	5		EDBDMP
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000420323850	446489767	/nfs/dbraw/zinc/48/97/67/446489767.db2.gz	ABVPPZGITCCXII-MELADBBJSA-N	2	1	332.404	1.853	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(C[NH3+])CCC1	ZINC000420340033	446511233	/nfs/dbraw/zinc/51/12/33/446511233.db2.gz	ZQAKAOLENSUAMC-UHFFFAOYSA-N	2	1	336.392	1.745	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1	ZINC000420340033	446511234	/nfs/dbraw/zinc/51/12/34/446511234.db2.gz	ZQAKAOLENSUAMC-UHFFFAOYSA-N	2	1	336.392	1.745	20	5		EDBDMP
CN(C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000420343751	446515503	/nfs/dbraw/zinc/51/55/03/446515503.db2.gz	RELMXOKWTGRNCW-CABCVRRESA-N	2	1	346.431	1.879	20	5		EDBDMP
CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000525787707	448025597	/nfs/dbraw/zinc/02/55/97/448025597.db2.gz	WYKARWHWOASPMH-MRXNPFEDSA-N	2	1	339.440	1.204	20	5		EDBDMP
Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc([N+](=O)[O-])c1	ZINC000597942722	449152137	/nfs/dbraw/zinc/15/21/37/449152137.db2.gz	MJDIBYDNVHJHBX-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc([N+](=O)[O-])c1	ZINC000597942722	449152140	/nfs/dbraw/zinc/15/21/40/449152140.db2.gz	MJDIBYDNVHJHBX-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C	ZINC000597943077	449152430	/nfs/dbraw/zinc/15/24/30/449152430.db2.gz	TWSNEDYTZJYMSO-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1cccc([N+](=O)[O-])c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C	ZINC000597943077	449152434	/nfs/dbraw/zinc/15/24/34/449152434.db2.gz	TWSNEDYTZJYMSO-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cn1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c([N+](=O)[O-])n1	ZINC000602483081	449625677	/nfs/dbraw/zinc/62/56/77/449625677.db2.gz	IPQFADDQWAYPNV-UHFFFAOYSA-N	2	1	337.424	1.405	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@H](NCc2cn(C)nc2[N+](=O)[O-])[C@@H](C)C1	ZINC000602814261	449827404	/nfs/dbraw/zinc/82/74/04/449827404.db2.gz	YSEZUNCVABIQAE-ZFWWWQNUSA-N	2	1	339.440	1.555	20	5		EDBDMP
CN(C(=O)c1cc([N+](=O)[O-])c[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000609560135	450051667	/nfs/dbraw/zinc/05/16/67/450051667.db2.gz	VMPMEODWESMRJP-ZDUSSCGKSA-N	2	1	335.408	1.163	20	5		EDBDMP
C[N@@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000762786732	580083133	/nfs/dbraw/zinc/08/31/33/580083133.db2.gz	KQRKCJDBJNHRAH-KRWDZBQOSA-N	2	1	334.420	1.220	20	5		EDBDMP
C[N@H+]1CC[C@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000762786732	580083134	/nfs/dbraw/zinc/08/31/34/580083134.db2.gz	KQRKCJDBJNHRAH-KRWDZBQOSA-N	2	1	334.420	1.220	20	5		EDBDMP
Cn1cc[nH+]c1[C@H]1CCN(Cn2c(=O)oc3cccc([N+](=O)[O-])c32)C1	ZINC000794637624	580901165	/nfs/dbraw/zinc/90/11/65/580901165.db2.gz	YZCGTCUXFLFALX-NSHDSACASA-N	2	1	343.343	1.683	20	5		EDBDMP
[NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000843344969	595081409	/nfs/dbraw/zinc/08/14/09/595081409.db2.gz	JUJUWPLREPTTHF-UHFFFAOYSA-N	2	1	326.784	1.857	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccccn2c1[N+](=O)[O-]	ZINC000853773358	595876306	/nfs/dbraw/zinc/87/63/06/595876306.db2.gz	AZDFFUKVNWAKKJ-ZDUSSCGKSA-N	2	1	334.424	1.926	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccccn2c1[N+](=O)[O-]	ZINC000853773358	595876309	/nfs/dbraw/zinc/87/63/09/595876309.db2.gz	AZDFFUKVNWAKKJ-ZDUSSCGKSA-N	2	1	334.424	1.926	20	5		EDBDMP
O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1	ZINC000863549999	596615647	/nfs/dbraw/zinc/61/56/47/596615647.db2.gz	LUZCLKIQPDGVLS-CVEARBPZSA-N	2	1	346.387	1.352	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000130923757	205266219	/nfs/dbraw/zinc/26/62/19/205266219.db2.gz	FJKHGHCPNORBMY-UHFFFAOYSA-N	2	1	331.376	1.721	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000130923757	205266223	/nfs/dbraw/zinc/26/62/23/205266223.db2.gz	FJKHGHCPNORBMY-UHFFFAOYSA-N	2	1	331.376	1.721	20	5		EDBDMP
COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-]	ZINC000261751319	139223140	/nfs/dbraw/zinc/22/31/40/139223140.db2.gz	CDOHKFUDNPEPQO-DGCLKSJQSA-N	2	1	337.376	1.316	20	5		EDBDMP
COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-]	ZINC000261751319	139223141	/nfs/dbraw/zinc/22/31/41/139223141.db2.gz	CDOHKFUDNPEPQO-DGCLKSJQSA-N	2	1	337.376	1.316	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH3+])CC1	ZINC000430615656	305059128	/nfs/dbraw/zinc/05/91/28/305059128.db2.gz	CXOOZKKFXBXFQS-NSHDSACASA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])CC1	ZINC000430615655	305059142	/nfs/dbraw/zinc/05/91/42/305059142.db2.gz	CXOOZKKFXBXFQS-LLVKDONJSA-N	2	1	336.392	1.601	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1	ZINC000430639386	305060710	/nfs/dbraw/zinc/06/07/10/305060710.db2.gz	HXNKUOJXWFUDNS-LLVKDONJSA-N	2	1	347.375	1.023	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1	ZINC000430639386	305060711	/nfs/dbraw/zinc/06/07/11/305060711.db2.gz	HXNKUOJXWFUDNS-LLVKDONJSA-N	2	1	347.375	1.023	20	5		EDBDMP
COC(=O)COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1[N+](=O)[O-]	ZINC000414932264	447362840	/nfs/dbraw/zinc/36/28/40/447362840.db2.gz	CQPALBXXWRSFCX-UHFFFAOYSA-N	2	1	337.376	1.378	20	5		EDBDMP
C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CC[NH+](C)CC1	ZINC000344793690	445143748	/nfs/dbraw/zinc/14/37/48/445143748.db2.gz	OVLGCALQMWYVLG-NTCAYCPXSA-N	2	1	346.431	1.752	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000359290135	446125233	/nfs/dbraw/zinc/12/52/33/446125233.db2.gz	QVTPOWOTDJYVCD-TXEJJXNPSA-N	2	1	334.376	1.083	20	5		EDBDMP
CN1CC[C@@H](C[N@@H+](C)CCn2ccc([N+](=O)[O-])n2)[C@@H]1c1cccnc1	ZINC000372522869	447106940	/nfs/dbraw/zinc/10/69/40/447106940.db2.gz	OZOIZTMKGUTIKL-RDJZCZTQSA-N	2	1	344.419	1.811	20	5		EDBDMP
O=[N+]([O-])c1ccc2nccc(NC[C@@H]3CCC[N@@H+]3CCCO)c2c1	ZINC000601169828	449730776	/nfs/dbraw/zinc/73/07/76/449730776.db2.gz	GVZCJZPYFQYLPO-AWEZNQCLSA-N	2	1	330.388	1.824	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CCC[N@H+]3CCCO)c2c1	ZINC000601169828	449730781	/nfs/dbraw/zinc/73/07/81/449730781.db2.gz	GVZCJZPYFQYLPO-AWEZNQCLSA-N	2	1	330.388	1.824	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CCC[N@@H+]3CCCO)c2c1	ZINC000601169828	449730786	/nfs/dbraw/zinc/73/07/86/449730786.db2.gz	GVZCJZPYFQYLPO-AWEZNQCLSA-N	2	1	330.388	1.824	20	5		EDBDMP
CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(F)cccc2[N+](=O)[O-])C1	ZINC000779654191	580493422	/nfs/dbraw/zinc/49/34/22/580493422.db2.gz	ZEKIHSNSWOYUEC-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(F)cccc2[N+](=O)[O-])C1	ZINC000779654191	580493423	/nfs/dbraw/zinc/49/34/23/580493423.db2.gz	ZEKIHSNSWOYUEC-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
C[C@]([NH3+])(C(=O)N1CC[C@@H]([NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1	ZINC000870879792	596387429	/nfs/dbraw/zinc/38/74/29/596387429.db2.gz	NVLKNENQWOVHIF-NVXWUHKLSA-N	2	1	332.404	1.465	20	5		EDBDMP
C[C@@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1	ZINC000563953262	306353246	/nfs/dbraw/zinc/35/32/46/306353246.db2.gz	FOEOGYUCOWVFKP-CZUORRHYSA-N	2	1	335.404	1.575	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000245585355	139080210	/nfs/dbraw/zinc/08/02/10/139080210.db2.gz	LWIAVHIHKHOTNT-WMLDXEAASA-N	2	1	346.431	1.705	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1	ZINC000245585355	139080214	/nfs/dbraw/zinc/08/02/14/139080214.db2.gz	LWIAVHIHKHOTNT-WMLDXEAASA-N	2	1	346.431	1.705	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270490	273185515	/nfs/dbraw/zinc/18/55/15/273185515.db2.gz	RQEUVEUDQJWODC-GJZGRUSLSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270490	273185517	/nfs/dbraw/zinc/18/55/17/273185517.db2.gz	RQEUVEUDQJWODC-GJZGRUSLSA-N	2	1	337.420	1.751	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428043421	305005418	/nfs/dbraw/zinc/00/54/18/305005418.db2.gz	GJEOVWDNWCMTDW-GXTWGEPZSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428043421	305005419	/nfs/dbraw/zinc/00/54/19/305005419.db2.gz	GJEOVWDNWCMTDW-GXTWGEPZSA-N	2	1	348.403	1.616	20	5		EDBDMP
C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1	ZINC000430923952	305068553	/nfs/dbraw/zinc/06/85/53/305068553.db2.gz	HBPIUDAJVXDYGJ-LBPRGKRZSA-N	2	1	336.392	1.473	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358503412	319112617	/nfs/dbraw/zinc/11/26/17/319112617.db2.gz	GAIUQBZYWMGXLY-UHFFFAOYSA-N	2	1	332.404	1.917	20	5		EDBDMP
Cc1c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-]	ZINC000436067828	320018660	/nfs/dbraw/zinc/01/86/60/320018660.db2.gz	UUEHQQPGTRJSTC-HNNXBMFYSA-N	2	1	334.420	1.723	20	5		EDBDMP
CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1	ZINC000283477704	443642863	/nfs/dbraw/zinc/64/28/63/443642863.db2.gz	IXCLKDUTUCVZAT-UHFFFAOYSA-N	2	1	348.447	1.969	20	5		EDBDMP
CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc([N+](=O)[O-])cc1	ZINC000283477704	443642867	/nfs/dbraw/zinc/64/28/67/443642867.db2.gz	IXCLKDUTUCVZAT-UHFFFAOYSA-N	2	1	348.447	1.969	20	5		EDBDMP
C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000281187801	443842084	/nfs/dbraw/zinc/84/20/84/443842084.db2.gz	BJDVTKRHMBTQGK-MRXNPFEDSA-N	2	1	337.420	1.752	20	5		EDBDMP
C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000281187801	443842090	/nfs/dbraw/zinc/84/20/90/443842090.db2.gz	BJDVTKRHMBTQGK-MRXNPFEDSA-N	2	1	337.420	1.752	20	5		EDBDMP
CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](O)C[NH+](C)C	ZINC000349203370	445534627	/nfs/dbraw/zinc/53/46/27/445534627.db2.gz	TVOZQXRVBZJJNF-CHWSQXEVSA-N	2	1	327.450	1.978	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cccc1[N+](=O)[O-]	ZINC000351474633	446075687	/nfs/dbraw/zinc/07/56/87/446075687.db2.gz	GNHBLBYOCGFKST-BFHYXJOUSA-N	2	1	332.404	1.901	20	5		EDBDMP
C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000584346573	448491294	/nfs/dbraw/zinc/49/12/94/448491294.db2.gz	QGZMSAMKFXFFHH-GOEBONIOSA-N	2	1	337.420	1.656	20	5		EDBDMP
C[C@@H]([NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1	ZINC000574034345	448774698	/nfs/dbraw/zinc/77/46/98/448774698.db2.gz	XBSPYYLBAYYIRM-HIFRSBDPSA-N	2	1	335.404	1.575	20	5		EDBDMP
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21	ZINC000602796966	449816191	/nfs/dbraw/zinc/81/61/91/449816191.db2.gz	LDEMGXUCCLFNBQ-RBSFLKMASA-N	2	1	337.424	1.283	20	5		EDBDMP
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21	ZINC000602796966	449816194	/nfs/dbraw/zinc/81/61/94/449816194.db2.gz	LDEMGXUCCLFNBQ-RBSFLKMASA-N	2	1	337.424	1.283	20	5		EDBDMP
O=[N+]([O-])c1ccc(CC[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1	ZINC000609626429	450074411	/nfs/dbraw/zinc/07/44/11/450074411.db2.gz	CVNDTXQGMPYOPK-UHFFFAOYSA-N	2	1	332.448	1.851	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1	ZINC000819063039	593736781	/nfs/dbraw/zinc/73/67/81/593736781.db2.gz	VXURYOJMLGSXPQ-QZTJIDSGSA-N	2	1	349.431	1.861	20	5		EDBDMP
O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000843386435	595096765	/nfs/dbraw/zinc/09/67/65/595096765.db2.gz	IWJQKWJYDOWODR-BXUZGUMPSA-N	2	1	336.367	1.746	20	5		EDBDMP
O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1F	ZINC000843386435	595096767	/nfs/dbraw/zinc/09/67/67/595096767.db2.gz	IWJQKWJYDOWODR-BXUZGUMPSA-N	2	1	336.367	1.746	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974831	596640940	/nfs/dbraw/zinc/64/09/40/596640940.db2.gz	WOOPLQGJMPNDJA-QBIMZIAESA-N	2	1	346.431	1.711	20	5		EDBDMP
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974831	596640943	/nfs/dbraw/zinc/64/09/43/596640943.db2.gz	WOOPLQGJMPNDJA-QBIMZIAESA-N	2	1	346.431	1.711	20	5		EDBDMP
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000104069610	138299515	/nfs/dbraw/zinc/29/95/15/138299515.db2.gz	QMEHXEOJSMICRO-INIZCTEOSA-N	2	1	332.404	1.509	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1	ZINC000360560366	152095855	/nfs/dbraw/zinc/09/58/55/152095855.db2.gz	FTXYSNGGDIGYNN-QGZVFWFLSA-N	2	1	332.404	1.917	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1	ZINC000360561847	152097347	/nfs/dbraw/zinc/09/73/47/152097347.db2.gz	KEILSCNSYSVMAD-KRWDZBQOSA-N	2	1	348.403	1.617	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1	ZINC000351859297	445345083	/nfs/dbraw/zinc/34/50/83/445345083.db2.gz	CPZGFNTZCDHNJZ-VXGBXAGGSA-N	2	1	336.392	1.601	20	5		EDBDMP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000420350133	446527416	/nfs/dbraw/zinc/52/74/16/446527416.db2.gz	RMBRWKRVXAVJOK-QGZVFWFLSA-N	2	1	348.447	1.862	20	5		EDBDMP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1	ZINC000420350133	446527421	/nfs/dbraw/zinc/52/74/21/446527421.db2.gz	RMBRWKRVXAVJOK-QGZVFWFLSA-N	2	1	348.447	1.862	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1	ZINC000422710239	447723342	/nfs/dbraw/zinc/72/33/42/447723342.db2.gz	FKZBVHFIWGUQQM-ARFHVFGLSA-N	2	1	335.404	1.850	20	5		EDBDMP
Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000572658647	448432695	/nfs/dbraw/zinc/43/26/95/448432695.db2.gz	BJBLTEAAWRFHFT-ZDUSSCGKSA-N	2	1	330.392	1.842	20	5		EDBDMP
Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000572658647	448432700	/nfs/dbraw/zinc/43/27/00/448432700.db2.gz	BJBLTEAAWRFHFT-ZDUSSCGKSA-N	2	1	330.392	1.842	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000597943143	449153613	/nfs/dbraw/zinc/15/36/13/449153613.db2.gz	VKCJWJNQLIOTSC-LBPRGKRZSA-N	2	1	337.424	1.179	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(N)cccc1[N+](=O)[O-]	ZINC000597943143	449153615	/nfs/dbraw/zinc/15/36/15/449153615.db2.gz	VKCJWJNQLIOTSC-LBPRGKRZSA-N	2	1	337.424	1.179	20	5		EDBDMP
O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1	ZINC000600681210	449488125	/nfs/dbraw/zinc/48/81/25/449488125.db2.gz	XQTBGOVKBOFBCS-SJDLMVEWSA-N	2	1	328.376	1.524	20	5		EDBDMP
C[NH+](C)CCC[N@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21	ZINC000596425162	449496248	/nfs/dbraw/zinc/49/62/48/449496248.db2.gz	NSDHJZAXFZKVEF-UHFFFAOYSA-N	2	1	331.420	2.438	20	5		EDBDMP
C[NH+](C)CCC[N@@H+](C)CCNc1nccc2cc([N+](=O)[O-])ccc21	ZINC000596425162	449496250	/nfs/dbraw/zinc/49/62/50/449496250.db2.gz	NSDHJZAXFZKVEF-UHFFFAOYSA-N	2	1	331.420	2.438	20	5		EDBDMP
C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CN1CC[NH+](C)CC1	ZINC000602542080	449662576	/nfs/dbraw/zinc/66/25/76/449662576.db2.gz	SJVKPWPLJXQWJJ-ZDUSSCGKSA-N	2	1	347.419	1.709	20	5		EDBDMP
C[NH+](C)C[C@@]1(O)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000602878109	449886882	/nfs/dbraw/zinc/88/68/82/449886882.db2.gz	VMTNTXGVJLNEEQ-KRWDZBQOSA-N	2	1	337.420	1.752	20	5		EDBDMP
C[NH+](C)C[C@@]1(O)CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1	ZINC000602878109	449886885	/nfs/dbraw/zinc/88/68/85/449886885.db2.gz	VMTNTXGVJLNEEQ-KRWDZBQOSA-N	2	1	337.420	1.752	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CC[N@@H+](C)[C@H]3C)c2[N+](=O)[O-])CC[NH+]1C	ZINC000895734853	591264653	/nfs/dbraw/zinc/26/46/53/591264653.db2.gz	ANXPXQDUKQATTI-YVECIDJPSA-N	2	1	349.439	1.394	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CC[NH+](C)[C@H]3C)c2[N+](=O)[O-])CC[N@@H+]1C	ZINC000895734853	591264655	/nfs/dbraw/zinc/26/46/55/591264655.db2.gz	ANXPXQDUKQATTI-YVECIDJPSA-N	2	1	349.439	1.394	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncnc(N[C@@H]3CC[NH+](C)[C@H]3C)c2[N+](=O)[O-])CC[N@H+]1C	ZINC000895734853	591264656	/nfs/dbraw/zinc/26/46/56/591264656.db2.gz	ANXPXQDUKQATTI-YVECIDJPSA-N	2	1	349.439	1.394	20	5		EDBDMP
Cc1cc([N+](=O)[O-])cnc1N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1	ZINC000905704950	592617526	/nfs/dbraw/zinc/61/75/26/592617526.db2.gz	UMJVVKIARKPXSI-GASCZTMLSA-N	2	1	331.420	1.703	20	5		EDBDMP
C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000867947050	596629540	/nfs/dbraw/zinc/62/95/40/596629540.db2.gz	YAERLDNEXKUQAQ-HACGYAERSA-N	2	1	334.420	1.710	20	5		EDBDMP
C[C@@H]1C[C@@H](N(C)C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000867947050	596629543	/nfs/dbraw/zinc/62/95/43/596629543.db2.gz	YAERLDNEXKUQAQ-HACGYAERSA-N	2	1	334.420	1.710	20	5		EDBDMP
COc1ccc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1	ZINC000430940480	305069665	/nfs/dbraw/zinc/06/96/65/305069665.db2.gz	PGDQJEJSMNXVCP-NSHDSACASA-N	2	1	336.392	1.601	20	5		EDBDMP
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC[NH2+]C2)CC1	ZINC000431013251	305072726	/nfs/dbraw/zinc/07/27/26/305072726.db2.gz	IJHRZXIMWMNRSX-ZDUSSCGKSA-N	2	1	332.404	1.997	20	5		EDBDMP
Cc1c([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-]	ZINC000178671174	442454937	/nfs/dbraw/zinc/45/49/37/442454937.db2.gz	ZNAKFMFHRPAJTA-CQSZACIVSA-N	2	1	334.420	1.718	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1	ZINC000351864938	445347691	/nfs/dbraw/zinc/34/76/91/445347691.db2.gz	ZWLMCNKOKQVONM-RYUDHWBXSA-N	2	1	336.392	1.601	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1	ZINC000351486458	446086003	/nfs/dbraw/zinc/08/60/03/446086003.db2.gz	AWKPJQCZAQVSFS-CFVMTHIKSA-N	2	1	332.404	1.901	20	5		EDBDMP
Cc1c(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cccc1[N+](=O)[O-]	ZINC000420385306	446560584	/nfs/dbraw/zinc/56/05/84/446560584.db2.gz	SRWLOZVBOWJSRL-OAHLLOKOSA-N	2	1	330.392	1.791	20	5		EDBDMP
[NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000443057885	447000154	/nfs/dbraw/zinc/00/01/54/447000154.db2.gz	IPHKHBHAXRLEEU-CZUORRHYSA-N	2	1	332.404	1.761	20	5		EDBDMP
C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000516563597	448439251	/nfs/dbraw/zinc/43/92/51/448439251.db2.gz	MEPRZIGZRXHBEM-LSDHHAIUSA-N	2	1	337.420	1.656	20	5		EDBDMP
O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1	ZINC000516571046	448441426	/nfs/dbraw/zinc/44/14/26/448441426.db2.gz	LIMPELNRIOEQPF-BRWVUGGUSA-N	2	1	335.404	1.720	20	5		EDBDMP
Cc1nn(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ncc([N+](=O)[O-])cc12	ZINC000749948789	579744720	/nfs/dbraw/zinc/74/47/20/579744720.db2.gz	ATKXOAFRVKJESY-UHFFFAOYSA-N	2	1	332.408	1.879	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000565157904	306376352	/nfs/dbraw/zinc/37/63/52/306376352.db2.gz	QTTRWKRCOBPXPY-RYUDHWBXSA-N	2	1	336.392	1.744	20	5		EDBDMP
C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@@H]1C[NH2+]CCCO1	ZINC000415049876	304154611	/nfs/dbraw/zinc/15/46/11/304154611.db2.gz	YHPDLRQYBFQYNQ-DOMZBBRYSA-N	2	1	336.392	1.280	20	5		EDBDMP
O=C(NC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)[C@H]1CCC[NH2+]1	ZINC000262179455	139257740	/nfs/dbraw/zinc/25/77/40/139257740.db2.gz	INAMCGZNTRQRCL-NVXWUHKLSA-N	2	1	346.431	1.675	20	5		EDBDMP
CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000357928197	151199684	/nfs/dbraw/zinc/19/96/84/151199684.db2.gz	KNAJPCTXARVBJW-AWEZNQCLSA-N	2	1	325.413	1.224	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@H](C)C1	ZINC000181441996	442697502	/nfs/dbraw/zinc/69/75/02/442697502.db2.gz	JPSSONWIEBQCIJ-ZBFHGGJFSA-N	2	1	339.440	1.518	20	5		EDBDMP
C[N@H+](C[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1	ZINC000563010094	321087508	/nfs/dbraw/zinc/08/75/08/321087508.db2.gz	DXMQHMBNUNDCHV-OAHLLOKOSA-N	2	1	332.404	1.663	20	5		EDBDMP
C[N@@H+](C[C@H](O)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1	ZINC000563010094	321087509	/nfs/dbraw/zinc/08/75/09/321087509.db2.gz	DXMQHMBNUNDCHV-OAHLLOKOSA-N	2	1	332.404	1.663	20	5		EDBDMP
Cc1[nH+]ccn1CC[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000570037580	321335310	/nfs/dbraw/zinc/33/53/10/321335310.db2.gz	TTXMXEVZDAKCTJ-UHFFFAOYSA-N	2	1	338.389	1.163	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000343999254	444719112	/nfs/dbraw/zinc/71/91/12/444719112.db2.gz	FPUXTXHHRMUIQD-DZGCQCFKSA-N	2	1	334.420	1.833	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000343999254	444719117	/nfs/dbraw/zinc/71/91/17/444719117.db2.gz	FPUXTXHHRMUIQD-DZGCQCFKSA-N	2	1	334.420	1.833	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000342091010	445166472	/nfs/dbraw/zinc/16/64/72/445166472.db2.gz	CIJNNMWVSRHHFK-KNPMLCFXSA-N	2	1	332.404	1.981	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1	ZINC000342091010	445166474	/nfs/dbraw/zinc/16/64/74/445166474.db2.gz	CIJNNMWVSRHHFK-KNPMLCFXSA-N	2	1	332.404	1.981	20	5		EDBDMP
O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1	ZINC000595886745	449233577	/nfs/dbraw/zinc/23/35/77/449233577.db2.gz	YNSTWNRHTOQWBM-MRXNPFEDSA-N	2	1	332.404	1.238	20	5		EDBDMP
COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000261911224	536897726	/nfs/dbraw/zinc/89/77/26/536897726.db2.gz	JAHZHJCTKQKKGX-RBSFLKMASA-N	2	1	335.404	1.850	20	5		EDBDMP
CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2F)C1	ZINC000779649665	580492825	/nfs/dbraw/zinc/49/28/25/580492825.db2.gz	KDMZOCQOMGKBMJ-AWEZNQCLSA-N	2	1	340.355	1.842	20	5		EDBDMP
CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])cc2F)C1	ZINC000779649665	580492826	/nfs/dbraw/zinc/49/28/26/580492826.db2.gz	KDMZOCQOMGKBMJ-AWEZNQCLSA-N	2	1	340.355	1.842	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2	ZINC000830647375	594446891	/nfs/dbraw/zinc/44/68/91/594446891.db2.gz	IEOQIAMJHYLLFI-MRXNPFEDSA-N	2	1	335.404	1.425	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CCO2	ZINC000830647375	594446893	/nfs/dbraw/zinc/44/68/93/594446893.db2.gz	IEOQIAMJHYLLFI-MRXNPFEDSA-N	2	1	335.404	1.425	20	5		EDBDMP
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728821	597310132	/nfs/dbraw/zinc/31/01/32/597310132.db2.gz	WULAQLBMKSKGDR-SUMWQHHRSA-N	2	1	334.420	1.569	20	5		EDBDMP
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728821	597310136	/nfs/dbraw/zinc/31/01/36/597310136.db2.gz	WULAQLBMKSKGDR-SUMWQHHRSA-N	2	1	334.420	1.569	20	5		EDBDMP
C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575780	597638685	/nfs/dbraw/zinc/63/86/85/597638685.db2.gz	OVVBMZDGWFNTHX-ZFWWWQNUSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575780	597638687	/nfs/dbraw/zinc/63/86/87/597638687.db2.gz	OVVBMZDGWFNTHX-ZFWWWQNUSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575780	597638691	/nfs/dbraw/zinc/63/86/91/597638691.db2.gz	OVVBMZDGWFNTHX-ZFWWWQNUSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@@H]21	ZINC000879575780	597638695	/nfs/dbraw/zinc/63/86/95/597638695.db2.gz	OVVBMZDGWFNTHX-ZFWWWQNUSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[N@@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCCN(C(=O)C[NH3+])C1	ZINC000414770810	304139008	/nfs/dbraw/zinc/13/90/08/304139008.db2.gz	YMDZIDFXYBFCLJ-OAHLLOKOSA-N	2	1	334.420	1.266	20	5		EDBDMP
COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000262007864	139243529	/nfs/dbraw/zinc/24/35/29/139243529.db2.gz	UUFMRWIYDBOPCR-BFHYXJOUSA-N	2	1	349.387	1.316	20	5		EDBDMP
COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-]	ZINC000262007864	139243530	/nfs/dbraw/zinc/24/35/30/139243530.db2.gz	UUFMRWIYDBOPCR-BFHYXJOUSA-N	2	1	349.387	1.316	20	5		EDBDMP
O=C([C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1	ZINC000347022966	143272746	/nfs/dbraw/zinc/27/27/46/143272746.db2.gz	OTIYOVOUZYRHDA-HNNXBMFYSA-N	2	1	332.404	1.239	20	5		EDBDMP
C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1	ZINC000193655393	442764578	/nfs/dbraw/zinc/76/45/78/442764578.db2.gz	ASMATBLOQXXEGE-TXEJJXNPSA-N	2	1	336.367	1.556	20	5		EDBDMP
C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1	ZINC000193655393	442764580	/nfs/dbraw/zinc/76/45/80/442764580.db2.gz	ASMATBLOQXXEGE-TXEJJXNPSA-N	2	1	336.367	1.556	20	5		EDBDMP
C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1	ZINC000193655393	442764583	/nfs/dbraw/zinc/76/45/83/442764583.db2.gz	ASMATBLOQXXEGE-TXEJJXNPSA-N	2	1	336.367	1.556	20	5		EDBDMP
C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3cc([N+](=O)[O-])ccc3F)C[C@@H]2C1	ZINC000193655393	442764586	/nfs/dbraw/zinc/76/45/86/442764586.db2.gz	ASMATBLOQXXEGE-TXEJJXNPSA-N	2	1	336.367	1.556	20	5		EDBDMP
C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093765	443922714	/nfs/dbraw/zinc/92/27/14/443922714.db2.gz	XGNLHINVCPQUSS-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093765	443922718	/nfs/dbraw/zinc/92/27/18/443922718.db2.gz	XGNLHINVCPQUSS-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093765	443922722	/nfs/dbraw/zinc/92/27/22/443922722.db2.gz	XGNLHINVCPQUSS-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093765	443922727	/nfs/dbraw/zinc/92/27/27/443922727.db2.gz	XGNLHINVCPQUSS-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
CN(C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000357093877	445425058	/nfs/dbraw/zinc/42/50/58/445425058.db2.gz	ZELOICYTXCIKCT-HNNXBMFYSA-N	2	1	346.431	1.879	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1	ZINC000582482567	448250558	/nfs/dbraw/zinc/25/05/58/448250558.db2.gz	JFCPFMUUHZFFAW-YPMHNXCESA-N	2	1	332.360	1.205	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C	ZINC000597942761	449152760	/nfs/dbraw/zinc/15/27/60/449152760.db2.gz	NPCVPHOKJDSZIS-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C	ZINC000597942761	449152763	/nfs/dbraw/zinc/15/27/63/449152763.db2.gz	NPCVPHOKJDSZIS-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
COc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-]	ZINC000602527207	449651869	/nfs/dbraw/zinc/65/18/69/449651869.db2.gz	HTDWGFODNZEQRJ-UHFFFAOYSA-N	2	1	337.420	1.928	20	5		EDBDMP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000866707567	596303286	/nfs/dbraw/zinc/30/32/86/596303286.db2.gz	IYDSENQYUUYOSE-SRMUXQRQSA-N	2	1	346.387	1.523	20	5		EDBDMP
NC(=O)[C@H]1CCC[N@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000104067454	138299651	/nfs/dbraw/zinc/29/96/51/138299651.db2.gz	OBKZROTVGQHMHZ-MRXNPFEDSA-N	2	1	332.404	1.509	20	5		EDBDMP
CCCn1cc[nH+]c1CCC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000191487244	443301478	/nfs/dbraw/zinc/30/14/78/443301478.db2.gz	NTYMLTNYTIRLFC-UHFFFAOYSA-N	2	1	347.419	1.928	20	5		EDBDMP
CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000191487244	443301479	/nfs/dbraw/zinc/30/14/79/443301479.db2.gz	NTYMLTNYTIRLFC-UHFFFAOYSA-N	2	1	347.419	1.928	20	5		EDBDMP
Cc1c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cccc1[N+](=O)[O-]	ZINC000436067831	320018751	/nfs/dbraw/zinc/01/87/51/320018751.db2.gz	UUEHQQPGTRJSTC-OAHLLOKOSA-N	2	1	334.420	1.723	20	5		EDBDMP
C[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C	ZINC000285429869	443980923	/nfs/dbraw/zinc/98/09/23/443980923.db2.gz	HJQYNVGMFJAGAB-ADNJVRNUSA-N	2	1	349.431	1.892	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)c1	ZINC000581602792	322197673	/nfs/dbraw/zinc/19/76/73/322197673.db2.gz	QOUYLDLUAORYMP-INIZCTEOSA-N	2	1	335.404	1.551	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]21	ZINC000342113989	445178631	/nfs/dbraw/zinc/17/86/31/445178631.db2.gz	WOFOKYVGBUEDBA-VNQPRFMTSA-N	2	1	344.415	1.543	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@@H]21	ZINC000342113989	445178633	/nfs/dbraw/zinc/17/86/33/445178633.db2.gz	WOFOKYVGBUEDBA-VNQPRFMTSA-N	2	1	344.415	1.543	20	5		EDBDMP
[NH3+]C[C@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCOCC2	ZINC000420320770	446484686	/nfs/dbraw/zinc/48/46/86/446484686.db2.gz	BVANZLCKEWRKSI-AWEZNQCLSA-N	2	1	335.404	1.661	20	5		EDBDMP
[NH3+]C[C@@H]1C[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC12CCOCC2	ZINC000420320773	446485298	/nfs/dbraw/zinc/48/52/98/446485298.db2.gz	BVANZLCKEWRKSI-CQSZACIVSA-N	2	1	335.404	1.661	20	5		EDBDMP
CCN1CCC([N@H+]2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1	ZINC000420627593	446708810	/nfs/dbraw/zinc/70/88/10/446708810.db2.gz	NSAGAQMQCYKFHV-UHFFFAOYSA-N	2	1	333.436	1.986	20	5		EDBDMP
CC[NH+]1CCC(N2CCCN(c3ccc([N+](=O)[O-])nc3)CC2)CC1	ZINC000420627593	446708815	/nfs/dbraw/zinc/70/88/15/446708815.db2.gz	NSAGAQMQCYKFHV-UHFFFAOYSA-N	2	1	333.436	1.986	20	5		EDBDMP
CC(C)[C@](C)(C[NH3+])[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000430594616	447782443	/nfs/dbraw/zinc/78/24/43/447782443.db2.gz	LAJPBGWVIIMQRC-INIZCTEOSA-N	2	1	336.392	1.856	20	5		EDBDMP
NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1	ZINC000577389016	448284582	/nfs/dbraw/zinc/28/45/82/448284582.db2.gz	UKKRMNDVFZMWGX-BBRMVZONSA-N	2	1	346.431	1.759	20	5		EDBDMP
NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1	ZINC000577389016	448284587	/nfs/dbraw/zinc/28/45/87/448284587.db2.gz	UKKRMNDVFZMWGX-BBRMVZONSA-N	2	1	346.431	1.759	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)c1	ZINC000591764001	448484381	/nfs/dbraw/zinc/48/43/81/448484381.db2.gz	JITZWNNLSIFSJB-PREGVCBESA-N	2	1	349.431	1.941	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H](F)[C@H](N)C1	ZINC000595907422	449246365	/nfs/dbraw/zinc/24/63/65/449246365.db2.gz	UGTMYIDOQQDDIV-VXGBXAGGSA-N	2	1	340.355	1.303	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H](F)[C@H](N)C1	ZINC000595907422	449246371	/nfs/dbraw/zinc/24/63/71/449246371.db2.gz	UGTMYIDOQQDDIV-VXGBXAGGSA-N	2	1	340.355	1.303	20	5		EDBDMP
C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CN1CC[NH+](C)CC1	ZINC000602542079	449661919	/nfs/dbraw/zinc/66/19/19/449661919.db2.gz	SJVKPWPLJXQWJJ-CYBMUJFWSA-N	2	1	347.419	1.709	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@@H]3CC[NH+](C)[C@H]3C)n2)CC[N@H+]1C	ZINC000895735875	591264434	/nfs/dbraw/zinc/26/44/34/591264434.db2.gz	GBMZOWFFKYCKQZ-UMSGYPCISA-N	2	1	349.439	1.394	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1csc([N+](=O)[O-])c1)C2	ZINC000903492298	592184973	/nfs/dbraw/zinc/18/49/73/592184973.db2.gz	MCBAWTSXIFUYSS-WDMOLILDSA-N	2	1	325.390	1.369	20	5		EDBDMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-]	ZINC000822951489	594127715	/nfs/dbraw/zinc/12/77/15/594127715.db2.gz	BOOHAGCPXVEFEY-HNNXBMFYSA-N	2	1	342.484	1.696	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000855347117	595681658	/nfs/dbraw/zinc/68/16/58/595681658.db2.gz	UHHJMMAGJADIHM-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1F	ZINC000855347117	595681660	/nfs/dbraw/zinc/68/16/60/595681660.db2.gz	UHHJMMAGJADIHM-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CC2)CC1	ZINC000564845051	306366925	/nfs/dbraw/zinc/36/69/25/306366925.db2.gz	SIRFSBYIXFBXSA-HNNXBMFYSA-N	2	1	335.404	1.551	20	5		EDBDMP
COc1cc(C[NH2+]C[C@@H](C)C[NH3+])c([N+](=O)[O-])cc1OCC(F)F	ZINC000414873236	447337480	/nfs/dbraw/zinc/33/74/80/447337480.db2.gz	GUCCQJRKWLCCOJ-VIFPVBQESA-N	2	1	333.335	1.932	20	5		EDBDMP
CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000518171123	448650263	/nfs/dbraw/zinc/65/02/63/448650263.db2.gz	QZBNNOBAVMXLEH-GOEBONIOSA-N	2	1	339.440	1.110	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C	ZINC000519607848	448798843	/nfs/dbraw/zinc/79/88/43/448798843.db2.gz	DZQXNMXUMJJNED-NWDGAFQWSA-N	2	1	336.392	1.744	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000597942765	449152719	/nfs/dbraw/zinc/15/27/19/449152719.db2.gz	NXUIYMQSILZFFW-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(F)cc1[N+](=O)[O-]	ZINC000597942765	449152722	/nfs/dbraw/zinc/15/27/22/449152722.db2.gz	NXUIYMQSILZFFW-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
CN(C[C@H](O)CN1CCOCC1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21	ZINC000601125957	449703364	/nfs/dbraw/zinc/70/33/64/449703364.db2.gz	LKEFMBNZYMGTDC-AWEZNQCLSA-N	2	1	346.387	1.272	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000843072027	595280500	/nfs/dbraw/zinc/28/05/00/595280500.db2.gz	DWWCPQPMQIAHKF-IAGOWNOFSA-N	2	1	337.420	1.455	20	5		EDBDMP
C[C@]([NH3+])(C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)c1cccc([N+](=O)[O-])c1	ZINC000870892286	596392421	/nfs/dbraw/zinc/39/24/21/596392421.db2.gz	SGJOKYZVZLMCQV-KBXCAEBGSA-N	2	1	346.431	1.713	20	5		EDBDMP
COc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1	ZINC000443065052	305234411	/nfs/dbraw/zinc/23/44/11/305234411.db2.gz	ZIJHZOYJAQZTDW-GFCCVEGCSA-N	2	1	336.392	1.603	20	5		EDBDMP
COc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1	ZINC000443065052	305234412	/nfs/dbraw/zinc/23/44/12/305234412.db2.gz	ZIJHZOYJAQZTDW-GFCCVEGCSA-N	2	1	336.392	1.603	20	5		EDBDMP
COC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1[N+](=O)[O-]	ZINC000414944505	447367599	/nfs/dbraw/zinc/36/75/99/447367599.db2.gz	PYHBJTFEFVFIIU-YPMHNXCESA-N	2	1	337.376	1.234	20	5		EDBDMP
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358503252	319112635	/nfs/dbraw/zinc/11/26/35/319112635.db2.gz	YHURKLNMCPYVBW-CYBMUJFWSA-N	2	1	332.404	1.997	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000342091018	445166899	/nfs/dbraw/zinc/16/68/99/445166899.db2.gz	CIJNNMWVSRHHFK-NOXHYTERSA-N	2	1	332.404	1.981	20	5		EDBDMP
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1	ZINC000342091018	445166902	/nfs/dbraw/zinc/16/69/02/445166902.db2.gz	CIJNNMWVSRHHFK-NOXHYTERSA-N	2	1	332.404	1.981	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000359296489	446131275	/nfs/dbraw/zinc/13/12/75/446131275.db2.gz	CYQRUXKPPYOSHF-TXEJJXNPSA-N	2	1	334.376	1.083	20	5		EDBDMP
[NH3+]CC[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000420316503	446481671	/nfs/dbraw/zinc/48/16/71/446481671.db2.gz	SVIPNOCGVQVDSI-ZDUSSCGKSA-N	2	1	341.433	1.429	20	5		EDBDMP
[NH3+]CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000420316503	446481676	/nfs/dbraw/zinc/48/16/76/446481676.db2.gz	SVIPNOCGVQVDSI-ZDUSSCGKSA-N	2	1	341.433	1.429	20	5		EDBDMP
CC(C)(C)[C@H](C[NH3+])[NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O	ZINC000420357904	446537605	/nfs/dbraw/zinc/53/76/05/446537605.db2.gz	ICDKJTDEVCDQKD-AWEZNQCLSA-N	2	1	336.392	1.856	20	5		EDBDMP
C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000516624975	448450627	/nfs/dbraw/zinc/45/06/27/448450627.db2.gz	GOXRSVGUZCMXMF-UHFFFAOYSA-N	2	1	341.371	1.994	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000591726510	448473525	/nfs/dbraw/zinc/47/35/25/448473525.db2.gz	CMABQPURHIHPHX-OFQRWUPVSA-N	2	1	335.404	1.551	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2	ZINC000592183142	448725515	/nfs/dbraw/zinc/72/55/15/448725515.db2.gz	RPWXBASGMROQHT-UHFFFAOYSA-N	2	1	335.404	1.770	20	5		EDBDMP
C[NH+]1CCC2(CC1)C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)CCO2	ZINC000592183142	448725520	/nfs/dbraw/zinc/72/55/20/448725520.db2.gz	RPWXBASGMROQHT-UHFFFAOYSA-N	2	1	335.404	1.770	20	5		EDBDMP
O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000595869734	449221091	/nfs/dbraw/zinc/22/10/91/449221091.db2.gz	XYVPZVXUOZGUJE-QGZVFWFLSA-N	2	1	349.431	1.895	20	5		EDBDMP
O=[N+]([O-])c1ccc(OCCC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1	ZINC000595869734	449221098	/nfs/dbraw/zinc/22/10/98/449221098.db2.gz	XYVPZVXUOZGUJE-QGZVFWFLSA-N	2	1	349.431	1.895	20	5		EDBDMP
C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426951	536381625	/nfs/dbraw/zinc/38/16/25/536381625.db2.gz	DEUUYEYLTICIAI-MAUKXSAKSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426951	536381627	/nfs/dbraw/zinc/38/16/27/536381627.db2.gz	DEUUYEYLTICIAI-MAUKXSAKSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426951	536381629	/nfs/dbraw/zinc/38/16/29/536381629.db2.gz	DEUUYEYLTICIAI-MAUKXSAKSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000339426951	536381631	/nfs/dbraw/zinc/38/16/31/536381631.db2.gz	DEUUYEYLTICIAI-MAUKXSAKSA-N	2	1	349.431	1.752	20	5		EDBDMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)[N+](=O)[O-]	ZINC000822951491	594127674	/nfs/dbraw/zinc/12/76/74/594127674.db2.gz	BOOHAGCPXVEFEY-OAHLLOKOSA-N	2	1	342.484	1.696	20	5		EDBDMP
CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CC[N@H+](C2CCN(C)CC2)C1	ZINC000823266864	594178127	/nfs/dbraw/zinc/17/81/27/594178127.db2.gz	IECDAACWOPQAQB-HNNXBMFYSA-N	2	1	340.468	1.449	20	5		EDBDMP
CN(C(=O)CCC(C)(C)[N+](=O)[O-])[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000823266864	594178128	/nfs/dbraw/zinc/17/81/28/594178128.db2.gz	IECDAACWOPQAQB-HNNXBMFYSA-N	2	1	340.468	1.449	20	5		EDBDMP
CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000842649968	595157105	/nfs/dbraw/zinc/15/71/05/595157105.db2.gz	WRMFSWCQPDIQMH-AWEZNQCLSA-N	2	1	340.355	1.842	20	5		EDBDMP
CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000842649968	595157109	/nfs/dbraw/zinc/15/71/09/595157109.db2.gz	WRMFSWCQPDIQMH-AWEZNQCLSA-N	2	1	340.355	1.842	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000855345908	595680711	/nfs/dbraw/zinc/68/07/11/595680711.db2.gz	KCQBWJCLCACJBA-QIENPNARSA-N	2	1	348.447	1.996	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)/C=C\c1ccc([N+](=O)[O-])cc1	ZINC000855345908	595680712	/nfs/dbraw/zinc/68/07/12/595680712.db2.gz	KCQBWJCLCACJBA-QIENPNARSA-N	2	1	348.447	1.996	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428041352	305005204	/nfs/dbraw/zinc/00/52/04/305005204.db2.gz	HWHUIQBBWPGUIL-GXTWGEPZSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428041352	305005205	/nfs/dbraw/zinc/00/52/05/305005205.db2.gz	HWHUIQBBWPGUIL-GXTWGEPZSA-N	2	1	348.403	1.616	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1	ZINC000248867781	442931469	/nfs/dbraw/zinc/93/14/69/442931469.db2.gz	BERKYWPQCBIBEM-GJZGRUSLSA-N	2	1	339.440	1.518	20	5		EDBDMP
CN(C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1	ZINC000342095367	445169203	/nfs/dbraw/zinc/16/92/03/445169203.db2.gz	GJRBEGYPVHAJTH-VBNZEHGJSA-N	2	1	332.404	1.617	20	5		EDBDMP
CN(C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc([N+](=O)[O-])cc1	ZINC000342095367	445169208	/nfs/dbraw/zinc/16/92/08/445169208.db2.gz	GJRBEGYPVHAJTH-VBNZEHGJSA-N	2	1	332.404	1.617	20	5		EDBDMP
CN(C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000420343753	446514605	/nfs/dbraw/zinc/51/46/05/446514605.db2.gz	RELMXOKWTGRNCW-GJZGRUSLSA-N	2	1	346.431	1.879	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1	ZINC000843352809	595084786	/nfs/dbraw/zinc/08/47/86/595084786.db2.gz	MAEBRSMEBTXFQE-UHFFFAOYSA-N	2	1	336.392	1.744	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000848529755	595402874	/nfs/dbraw/zinc/40/28/74/595402874.db2.gz	ZSNIDNJZDMIONE-DLBZAZTESA-N	2	1	335.404	1.471	20	5		EDBDMP
CN(CC[NH+]1CCCCC1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000870950664	596415953	/nfs/dbraw/zinc/41/59/53/596415953.db2.gz	LODGYOFIOAUDMU-QGZVFWFLSA-N	2	1	334.420	1.713	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1	ZINC000865484764	596588173	/nfs/dbraw/zinc/58/81/73/596588173.db2.gz	ISILLXAVMVEBGI-KBPBESRZSA-N	2	1	328.372	1.840	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2c1	ZINC000865484764	596588174	/nfs/dbraw/zinc/58/81/74/596588174.db2.gz	ISILLXAVMVEBGI-KBPBESRZSA-N	2	1	328.372	1.840	20	5		EDBDMP
C[C@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCN1c1cc[nH+]cc1	ZINC000880259737	597885355	/nfs/dbraw/zinc/88/53/55/597885355.db2.gz	HISIWRBPZQZTFV-AWEZNQCLSA-N	2	1	343.387	1.362	20	5		EDBDMP
C[C@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCN1c1cc[nH+]cc1	ZINC000880259737	597885357	/nfs/dbraw/zinc/88/53/57/597885357.db2.gz	HISIWRBPZQZTFV-AWEZNQCLSA-N	2	1	343.387	1.362	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2cc([N+](=O)[O-])cn2)[C@@H](C)C1	ZINC000246374228	139106082	/nfs/dbraw/zinc/10/60/82/139106082.db2.gz	JPSSONWIEBQCIJ-GOEBONIOSA-N	2	1	339.440	1.518	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1	ZINC000247702255	139154078	/nfs/dbraw/zinc/15/40/78/139154078.db2.gz	YEDFGANDUJFADX-ZBFHGGJFSA-N	2	1	337.424	1.103	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1	ZINC000247702255	139154079	/nfs/dbraw/zinc/15/40/79/139154079.db2.gz	YEDFGANDUJFADX-ZBFHGGJFSA-N	2	1	337.424	1.103	20	5		EDBDMP
C[NH2+]C[C@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430925472	305068447	/nfs/dbraw/zinc/06/84/47/305068447.db2.gz	LTGSDDBZASGQAO-GFCCVEGCSA-N	2	1	334.376	1.434	20	5		EDBDMP
C[NH2+]C[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430925472	305068448	/nfs/dbraw/zinc/06/84/48/305068448.db2.gz	LTGSDDBZASGQAO-GFCCVEGCSA-N	2	1	334.376	1.434	20	5		EDBDMP
C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000192821313	442689806	/nfs/dbraw/zinc/68/98/06/442689806.db2.gz	PXHFBPGCLRBHNW-QGZVFWFLSA-N	2	1	346.431	1.726	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000351479526	446081289	/nfs/dbraw/zinc/08/12/89/446081289.db2.gz	RKPBSTSPKBMXEL-UBHSHLNASA-N	2	1	348.403	1.601	20	5		EDBDMP
C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000572869853	448486445	/nfs/dbraw/zinc/48/64/45/448486445.db2.gz	UBHKNMAIRBSNTH-HOCLYGCPSA-N	2	1	339.440	1.396	20	5		EDBDMP
CCc1nn(C)c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000596361282	449483424	/nfs/dbraw/zinc/48/34/24/449483424.db2.gz	RIGLMZSXFXCUSR-LBPRGKRZSA-N	2	1	326.445	1.575	20	5		EDBDMP
CCc1nn(C)c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000596361282	449483430	/nfs/dbraw/zinc/48/34/30/449483430.db2.gz	RIGLMZSXFXCUSR-LBPRGKRZSA-N	2	1	326.445	1.575	20	5		EDBDMP
C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000600732377	449523895	/nfs/dbraw/zinc/52/38/95/449523895.db2.gz	YLLZFGQGOJDECE-ZDUSSCGKSA-N	2	1	338.408	1.398	20	5		EDBDMP
C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C	ZINC000600732377	449523903	/nfs/dbraw/zinc/52/39/03/449523903.db2.gz	YLLZFGQGOJDECE-ZDUSSCGKSA-N	2	1	338.408	1.398	20	5		EDBDMP
CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cn(C)nc2[N+](=O)[O-])C1	ZINC000602479678	449623479	/nfs/dbraw/zinc/62/34/79/449623479.db2.gz	PJLKLQHZDFGUTQ-CQSZACIVSA-N	2	1	325.413	1.261	20	5		EDBDMP
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C)nc2[N+](=O)[O-])C1	ZINC000602479678	449623485	/nfs/dbraw/zinc/62/34/85/449623485.db2.gz	PJLKLQHZDFGUTQ-CQSZACIVSA-N	2	1	325.413	1.261	20	5		EDBDMP
CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000602528158	449651482	/nfs/dbraw/zinc/65/14/82/449651482.db2.gz	POOYGAGZUAXBKU-QGZVFWFLSA-N	2	1	348.447	1.670	20	5		EDBDMP
CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1	ZINC000602528158	449651486	/nfs/dbraw/zinc/65/14/86/449651486.db2.gz	POOYGAGZUAXBKU-QGZVFWFLSA-N	2	1	348.447	1.670	20	5		EDBDMP
CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895136	596394298	/nfs/dbraw/zinc/39/42/98/596394298.db2.gz	WNJGXTKFNZBWQK-KSSFIOAISA-N	2	1	348.447	1.959	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974828	596641027	/nfs/dbraw/zinc/64/10/27/596641027.db2.gz	WOOPLQGJMPNDJA-FDQGKXFDSA-N	2	1	346.431	1.711	20	5		EDBDMP
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974828	596641030	/nfs/dbraw/zinc/64/10/30/596641030.db2.gz	WOOPLQGJMPNDJA-FDQGKXFDSA-N	2	1	346.431	1.711	20	5		EDBDMP
C[NH+]1CCC(C(=O)NCC2C[NH+](Cc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC001031947621	701503234	/nfs/dbraw/zinc/50/32/34/701503234.db2.gz	JCKMWZFJURSXHV-UHFFFAOYSA-N	2	1	346.431	1.485	20	5		EDBDMP
CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[NH2+]CCN1C	ZINC000423509198	252056149	/nfs/dbraw/zinc/05/61/49/252056149.db2.gz	IXGKWKDBTJCYOL-KGLIPLIRSA-N	2	1	338.477	1.959	20	5		EDBDMP
C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000284148944	274096827	/nfs/dbraw/zinc/09/68/27/274096827.db2.gz	PDTLXAJIFMXLBF-CQSZACIVSA-N	2	1	335.452	1.855	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1	ZINC000430939015	305069432	/nfs/dbraw/zinc/06/94/32/305069432.db2.gz	JYDUVCIVPLWQNL-AAEUAGOBSA-N	2	1	336.392	1.601	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@H](C)C1	ZINC000189998315	443045390	/nfs/dbraw/zinc/04/53/90/443045390.db2.gz	BERKYWPQCBIBEM-HUUCEWRRSA-N	2	1	339.440	1.518	20	5		EDBDMP
C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000285107299	443858523	/nfs/dbraw/zinc/85/85/23/443858523.db2.gz	KQGAOEWLLDMEEI-ZDUSSCGKSA-N	2	1	335.452	1.854	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289169412	444068529	/nfs/dbraw/zinc/06/85/29/444068529.db2.gz	FEYIEMSUNRAGPD-UHFFFAOYSA-N	2	1	338.452	1.919	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCN(C)CC[NH+](C)C	ZINC000289169412	444068531	/nfs/dbraw/zinc/06/85/31/444068531.db2.gz	FEYIEMSUNRAGPD-UHFFFAOYSA-N	2	1	338.452	1.919	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1CN1CCC(N2CCN(C)CC2=O)CC1	ZINC000368285284	446760570	/nfs/dbraw/zinc/76/05/70/446760570.db2.gz	UISRHQRYOJGHQL-UHFFFAOYSA-N	2	1	346.431	1.642	20	5		EDBDMP
[NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000423032320	447794820	/nfs/dbraw/zinc/79/48/20/447794820.db2.gz	FHUGSGAHHCYPIW-SMDDNHRTSA-N	2	1	327.406	1.086	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1	ZINC000597943289	449153351	/nfs/dbraw/zinc/15/33/51/449153351.db2.gz	XDUYWRDEGMKVTM-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1	ZINC000597943289	449153356	/nfs/dbraw/zinc/15/33/56/449153356.db2.gz	XDUYWRDEGMKVTM-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
C[NH+]1CCC2(CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1	ZINC000602877743	449885810	/nfs/dbraw/zinc/88/58/10/449885810.db2.gz	MDVAMONQAXAESQ-HNNXBMFYSA-N	2	1	349.431	1.752	20	5		EDBDMP
CN(C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc([N+](=O)[O-])cc1	ZINC000602878858	449886999	/nfs/dbraw/zinc/88/69/99/449886999.db2.gz	ZMYIJOLVRZRKIG-UHFFFAOYSA-N	2	1	346.431	1.975	20	5		EDBDMP
C[C@@H]1[C@H](Nc2ncc([N+](=O)[O-])c(N[C@H]3CC[NH+](C)[C@H]3C)n2)CC[N@H+]1C	ZINC000895735873	591264751	/nfs/dbraw/zinc/26/47/51/591264751.db2.gz	GBMZOWFFKYCKQZ-QNWHQSFQSA-N	2	1	349.439	1.394	20	5		EDBDMP
Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cnn1C	ZINC000903917751	592390911	/nfs/dbraw/zinc/39/09/11/592390911.db2.gz	MZBRVISXWDBPSV-INIZCTEOSA-N	2	1	345.447	1.929	20	5		EDBDMP
C[NH+]1CCN(C2CC[NH+](CCOc3ccccc3[N+](=O)[O-])CC2)CC1	ZINC000879592929	597648837	/nfs/dbraw/zinc/64/88/37/597648837.db2.gz	RCEUJMQGWZYUIB-UHFFFAOYSA-N	2	1	348.447	1.685	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1	ZINC000173781882	231031751	/nfs/dbraw/zinc/03/17/51/231031751.db2.gz	YEDFGANDUJFADX-HOCLYGCPSA-N	2	1	337.424	1.103	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@@H](O)C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1	ZINC000173781882	231031754	/nfs/dbraw/zinc/03/17/54/231031754.db2.gz	YEDFGANDUJFADX-HOCLYGCPSA-N	2	1	337.424	1.103	20	5		EDBDMP
C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C[C@H]1C[NH2+]CCCO1	ZINC000415049882	304154682	/nfs/dbraw/zinc/15/46/82/304154682.db2.gz	YHPDLRQYBFQYNQ-SWLSCSKDSA-N	2	1	336.392	1.280	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1	ZINC000246576811	139113459	/nfs/dbraw/zinc/11/34/59/139113459.db2.gz	LRBPKWQQDWQFRV-IAOVAPTHSA-N	2	1	349.435	1.101	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000246576811	139113460	/nfs/dbraw/zinc/11/34/60/139113460.db2.gz	LRBPKWQQDWQFRV-IAOVAPTHSA-N	2	1	349.435	1.101	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000246576811	139113461	/nfs/dbraw/zinc/11/34/61/139113461.db2.gz	LRBPKWQQDWQFRV-IAOVAPTHSA-N	2	1	349.435	1.101	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1	ZINC000261941069	139238733	/nfs/dbraw/zinc/23/87/33/139238733.db2.gz	MVNASAFTLJQZLZ-BZUAXINKSA-N	2	1	335.404	1.850	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1	ZINC000430942996	305069880	/nfs/dbraw/zinc/06/98/80/305069880.db2.gz	NTSKOUNOGFIBEF-DGCLKSJQSA-N	2	1	336.392	1.601	20	5		EDBDMP
Cn1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000359463856	446238714	/nfs/dbraw/zinc/23/87/14/446238714.db2.gz	ZZMVKWWIKCMBFX-KBPBESRZSA-N	2	1	327.388	1.647	20	5		EDBDMP
CN(C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc([N+](=O)[O-])cc1	ZINC000420344134	446517321	/nfs/dbraw/zinc/51/73/21/446517321.db2.gz	SCGRCCCGFZLWPD-OKILXGFUSA-N	2	1	332.404	1.489	20	5		EDBDMP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000420350132	446527004	/nfs/dbraw/zinc/52/70/04/446527004.db2.gz	RMBRWKRVXAVJOK-KRWDZBQOSA-N	2	1	348.447	1.862	20	5		EDBDMP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1	ZINC000420350132	446527011	/nfs/dbraw/zinc/52/70/11/446527011.db2.gz	RMBRWKRVXAVJOK-KRWDZBQOSA-N	2	1	348.447	1.862	20	5		EDBDMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000532392005	448251616	/nfs/dbraw/zinc/25/16/16/448251616.db2.gz	VPTWJPFPFTYOKK-OAHLLOKOSA-N	2	1	349.435	1.478	20	5		EDBDMP
CC[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+]	ZINC000592488748	448859268	/nfs/dbraw/zinc/85/92/68/448859268.db2.gz	MYUGFQBFUGSVOH-TZMCWYRMSA-N	2	1	348.403	1.952	20	5		EDBDMP
C[NH2+]CCOCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000600771742	449542176	/nfs/dbraw/zinc/54/21/76/449542176.db2.gz	AUQPOWJRUVPCNL-UHFFFAOYSA-N	2	1	347.419	1.663	20	5		EDBDMP
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCn2c(C)ncc2[N+](=O)[O-])C1	ZINC000602785913	449808484	/nfs/dbraw/zinc/80/84/84/449808484.db2.gz	XBBFWBOTWWMKPY-OAHLLOKOSA-N	2	1	339.440	1.532	20	5		EDBDMP
O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000601333118	449841479	/nfs/dbraw/zinc/84/14/79/449841479.db2.gz	AKTIZQZQEQAKII-BBRMVZONSA-N	2	1	332.404	1.997	20	5		EDBDMP
O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000601333118	449841485	/nfs/dbraw/zinc/84/14/85/449841485.db2.gz	AKTIZQZQEQAKII-BBRMVZONSA-N	2	1	332.404	1.997	20	5		EDBDMP
C[N@@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000778954409	580476635	/nfs/dbraw/zinc/47/66/35/580476635.db2.gz	WEPLWIRHZLLMQM-KRWDZBQOSA-N	2	1	336.436	1.198	20	5		EDBDMP
[NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+]([C@@H]1CCN(c3cccc([N+](=O)[O-])c3)C1=O)C2	ZINC000903843475	592343112	/nfs/dbraw/zinc/34/31/12/592343112.db2.gz	LNWZBTJUQQVQCY-SHUKQUCYSA-N	2	1	330.388	1.512	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000247881000	139155540	/nfs/dbraw/zinc/15/55/40/139155540.db2.gz	BPXBKWHVXAKSHF-KYJSFNMBSA-N	2	1	349.431	1.751	20	5		EDBDMP
C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000247881000	139155541	/nfs/dbraw/zinc/15/55/41/139155541.db2.gz	BPXBKWHVXAKSHF-KYJSFNMBSA-N	2	1	349.431	1.751	20	5		EDBDMP
C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000247881000	139155542	/nfs/dbraw/zinc/15/55/42/139155542.db2.gz	BPXBKWHVXAKSHF-KYJSFNMBSA-N	2	1	349.431	1.751	20	5		EDBDMP
O=C([C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1	ZINC000347039487	143275073	/nfs/dbraw/zinc/27/50/73/143275073.db2.gz	HDIYXKUKYRANLJ-ZDUSSCGKSA-N	2	1	338.433	1.300	20	5		EDBDMP
O=C([C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1	ZINC000347039487	143275074	/nfs/dbraw/zinc/27/50/74/143275074.db2.gz	HDIYXKUKYRANLJ-ZDUSSCGKSA-N	2	1	338.433	1.300	20	5		EDBDMP
C[N@@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166177	289279038	/nfs/dbraw/zinc/27/90/38/289279038.db2.gz	PAHOXYHWVKIIAL-YOEHRIQHSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166177	289279042	/nfs/dbraw/zinc/27/90/42/289279042.db2.gz	PAHOXYHWVKIIAL-YOEHRIQHSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166177	289279046	/nfs/dbraw/zinc/27/90/46/289279046.db2.gz	PAHOXYHWVKIIAL-YOEHRIQHSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166177	289279050	/nfs/dbraw/zinc/27/90/50/289279050.db2.gz	PAHOXYHWVKIIAL-YOEHRIQHSA-N	2	1	335.404	1.362	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21	ZINC000342105186	445174197	/nfs/dbraw/zinc/17/41/97/445174197.db2.gz	NZJRQXRCAJCDOZ-MGPQQGTHSA-N	2	1	332.404	1.983	20	5		EDBDMP
[NH3+][C@@H]1CC[C@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]12	ZINC000351474175	446076121	/nfs/dbraw/zinc/07/61/21/446076121.db2.gz	FUMQIQWUAJRBIR-IACUBPJLSA-N	2	1	346.387	1.562	20	5		EDBDMP
Cc1cc(N2CC([N@H+]3CC[C@@H](O)C3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000593502956	449312236	/nfs/dbraw/zinc/31/22/36/449312236.db2.gz	GDDIAVNDMBEPQA-CQSZACIVSA-N	2	1	328.372	1.707	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2sccn2c1[N+](=O)[O-]	ZINC000596363526	449483303	/nfs/dbraw/zinc/48/33/03/449483303.db2.gz	IEKFWPZXBNMVRP-NSHDSACASA-N	2	1	340.453	1.988	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2sccn2c1[N+](=O)[O-]	ZINC000596363526	449483307	/nfs/dbraw/zinc/48/33/07/449483307.db2.gz	IEKFWPZXBNMVRP-NSHDSACASA-N	2	1	340.453	1.988	20	5		EDBDMP
Cc1nc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ccc1[N+](=O)[O-]	ZINC000905702378	592615695	/nfs/dbraw/zinc/61/56/95/592615695.db2.gz	FROPOJRSMPHXMQ-GASCZTMLSA-N	2	1	331.420	1.703	20	5		EDBDMP
C[C@@H]1CC[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@@H]1C[NH3+]	ZINC000842478177	595115835	/nfs/dbraw/zinc/11/58/35/595115835.db2.gz	GTFWUAVOECQJFX-NEPJUHHUSA-N	2	1	338.383	1.979	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000853115993	595669467	/nfs/dbraw/zinc/66/94/67/595669467.db2.gz	OEURVDNWZKOICD-SJORKVTESA-N	2	1	335.404	1.471	20	5		EDBDMP
C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000877451237	597517358	/nfs/dbraw/zinc/51/73/58/597517358.db2.gz	KUDAIUSQMDXKCA-BFYDXBDKSA-N	2	1	332.404	1.464	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000877451237	597517359	/nfs/dbraw/zinc/51/73/59/597517359.db2.gz	KUDAIUSQMDXKCA-BFYDXBDKSA-N	2	1	332.404	1.464	20	5		EDBDMP
C[NH2+]C1CC[NH+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)CC1	ZINC000430933421	305068990	/nfs/dbraw/zinc/06/89/90/305068990.db2.gz	KPNFSEUFYVQIQA-UHFFFAOYSA-N	2	1	336.392	1.616	20	5		EDBDMP
Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000536069267	306019468	/nfs/dbraw/zinc/01/94/68/306019468.db2.gz	YIIBCZBWZSFOLM-HIFRSBDPSA-N	2	1	346.387	1.558	20	5		EDBDMP
Cc1cc(N2CCC[N@@H+](CCO)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1	ZINC000181501999	442700353	/nfs/dbraw/zinc/70/03/53/442700353.db2.gz	WWJXZASCOYHAMY-UHFFFAOYSA-N	2	1	330.388	1.956	20	5		EDBDMP
C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000351857515	445344828	/nfs/dbraw/zinc/34/48/28/445344828.db2.gz	BZNXDKDXWYSRCV-NEPJUHHUSA-N	2	1	334.376	1.562	20	5		EDBDMP
[NH3+][C@@H]1CC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]12	ZINC000351479569	446080792	/nfs/dbraw/zinc/08/07/92/446080792.db2.gz	RXXDDXCFEDGBDO-RAEVTNRLSA-N	2	1	330.388	1.369	20	5		EDBDMP
[NH3+]C[C@H]1C[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1	ZINC000420398805	446573509	/nfs/dbraw/zinc/57/35/09/446573509.db2.gz	ZCMIYTCHTJECOV-HNNXBMFYSA-N	2	1	346.387	1.842	20	5		EDBDMP
[NH3+]C[C@H]1C[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCCO1	ZINC000420398805	446573513	/nfs/dbraw/zinc/57/35/13/446573513.db2.gz	ZCMIYTCHTJECOV-HNNXBMFYSA-N	2	1	346.387	1.842	20	5		EDBDMP
C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000516563595	448439722	/nfs/dbraw/zinc/43/97/22/448439722.db2.gz	MEPRZIGZRXHBEM-GJZGRUSLSA-N	2	1	337.420	1.656	20	5		EDBDMP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCN1CC[NH2+]CC1	ZINC000592471993	448851666	/nfs/dbraw/zinc/85/16/66/448851666.db2.gz	BUTZMCGURQHDPA-UHFFFAOYSA-N	2	1	336.436	1.719	20	5		EDBDMP
CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCN1CC[NH2+]CC1	ZINC000592471993	448851676	/nfs/dbraw/zinc/85/16/76/448851676.db2.gz	BUTZMCGURQHDPA-UHFFFAOYSA-N	2	1	336.436	1.719	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000598684982	449542990	/nfs/dbraw/zinc/54/29/90/449542990.db2.gz	ZOWBYNDRXAEXCG-PXAZEXFGSA-N	2	1	348.403	1.745	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1	ZINC000598684982	449542997	/nfs/dbraw/zinc/54/29/97/449542997.db2.gz	ZOWBYNDRXAEXCG-PXAZEXFGSA-N	2	1	348.403	1.745	20	5		EDBDMP
O=[N+]([O-])c1ccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1	ZINC000594502554	449558798	/nfs/dbraw/zinc/55/87/98/449558798.db2.gz	KZWHKRTZYICUMA-MRXNPFEDSA-N	2	1	335.404	1.817	20	5		EDBDMP
CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000609559188	450051853	/nfs/dbraw/zinc/05/18/53/450051853.db2.gz	AJVFVBNKCXIPKM-AWEZNQCLSA-N	2	1	349.435	1.174	20	5		EDBDMP
[NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1	ZINC000842479436	595116278	/nfs/dbraw/zinc/11/62/78/595116278.db2.gz	SJFQSNCUNKSHAU-GFCCVEGCSA-N	2	1	340.355	1.112	20	5		EDBDMP
[NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CCCO1	ZINC000842479436	595116280	/nfs/dbraw/zinc/11/62/80/595116280.db2.gz	SJFQSNCUNKSHAU-GFCCVEGCSA-N	2	1	340.355	1.112	20	5		EDBDMP
CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOc1ccc([N+](=O)[O-])cc1	ZINC000849099999	595481768	/nfs/dbraw/zinc/48/17/68/595481768.db2.gz	OIPVHGAYDGDDKO-CQSZACIVSA-N	2	1	335.408	1.572	20	5		EDBDMP
C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2	ZINC000872153201	596814180	/nfs/dbraw/zinc/81/41/80/596814180.db2.gz	BHOSJCGHMQBPHZ-YVEFUNNKSA-N	2	1	346.387	1.434	20	5		EDBDMP
C[C@]12C[NH2+]C[C@H]1C[N@@H+](CCCn1c3cc([N+](=O)[O-])ccc3oc1=O)C2	ZINC000872153201	596814181	/nfs/dbraw/zinc/81/41/81/596814181.db2.gz	BHOSJCGHMQBPHZ-YVEFUNNKSA-N	2	1	346.387	1.434	20	5		EDBDMP
C[C@@H]1C[N@H+](CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCO1	ZINC000877478047	597522530	/nfs/dbraw/zinc/52/25/30/597522530.db2.gz	KTXITSIOJAGMLR-WLYUNCDWSA-N	2	1	337.424	1.585	20	5		EDBDMP
C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCO1	ZINC000877478047	597522531	/nfs/dbraw/zinc/52/25/31/597522531.db2.gz	KTXITSIOJAGMLR-WLYUNCDWSA-N	2	1	337.424	1.585	20	5		EDBDMP
O=[N+]([O-])c1ccn(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1	ZINC000280301982	273354122	/nfs/dbraw/zinc/35/41/22/273354122.db2.gz	FSJZGYOGPIYTOL-CALCHBBNSA-N	2	1	341.415	1.855	20	5		EDBDMP
O=[N+]([O-])c1ccn(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1	ZINC000280301982	273354123	/nfs/dbraw/zinc/35/41/23/273354123.db2.gz	FSJZGYOGPIYTOL-CALCHBBNSA-N	2	1	341.415	1.855	20	5		EDBDMP
O=[N+]([O-])c1ccn(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1	ZINC000280301982	273354124	/nfs/dbraw/zinc/35/41/24/273354124.db2.gz	FSJZGYOGPIYTOL-CALCHBBNSA-N	2	1	341.415	1.855	20	5		EDBDMP
O=[N+]([O-])c1ccn(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1	ZINC000280301982	273354125	/nfs/dbraw/zinc/35/41/25/273354125.db2.gz	FSJZGYOGPIYTOL-CALCHBBNSA-N	2	1	341.415	1.855	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428027525	305004134	/nfs/dbraw/zinc/00/41/34/305004134.db2.gz	AIGYKNIMCYLXDM-DZGCQCFKSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1	ZINC000428027525	305004135	/nfs/dbraw/zinc/00/41/35/305004135.db2.gz	AIGYKNIMCYLXDM-DZGCQCFKSA-N	2	1	332.404	1.916	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428043422	305005331	/nfs/dbraw/zinc/00/53/31/305005331.db2.gz	GJEOVWDNWCMTDW-JSGCOSHPSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1	ZINC000428043422	305005332	/nfs/dbraw/zinc/00/53/32/305005332.db2.gz	GJEOVWDNWCMTDW-JSGCOSHPSA-N	2	1	348.403	1.616	20	5		EDBDMP
C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])C1	ZINC000430923951	305068431	/nfs/dbraw/zinc/06/84/31/305068431.db2.gz	HBPIUDAJVXDYGJ-GFCCVEGCSA-N	2	1	336.392	1.473	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c([N+](=O)[O-])c1	ZINC000430963373	305071260	/nfs/dbraw/zinc/07/12/60/305071260.db2.gz	UQXTUHUPBKRNOD-DGCLKSJQSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-]	ZINC000272547206	443359015	/nfs/dbraw/zinc/35/90/15/443359015.db2.gz	SHVGLQSTBKEASC-UHFFFAOYSA-N	2	1	336.436	1.673	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357092363	445423305	/nfs/dbraw/zinc/42/33/05/445423305.db2.gz	USUPJQTXVFCKGR-STQMWFEESA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1	ZINC000357092363	445423308	/nfs/dbraw/zinc/42/33/08/445423308.db2.gz	USUPJQTXVFCKGR-STQMWFEESA-N	2	1	348.403	1.473	20	5		EDBDMP
[NH3+]Cc1cn([C@H]2CCC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)nn1	ZINC000420385526	446561210	/nfs/dbraw/zinc/56/12/10/446561210.db2.gz	SYYNVPOIFVZTBE-HNNXBMFYSA-N	2	1	346.391	1.361	20	5		EDBDMP
O=[N+]([O-])c1ccc(S(=O)(=O)CC[NH2+][C@@H]2CCC[NH2+]CC2)cc1	ZINC000423036742	447796155	/nfs/dbraw/zinc/79/61/55/447796155.db2.gz	LKWXHAKJNQORPI-GFCCVEGCSA-N	2	1	327.406	1.100	20	5		EDBDMP
C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1	ZINC000576478861	448066669	/nfs/dbraw/zinc/06/66/69/448066669.db2.gz	FOMCOAQRJZJJHU-OAHLLOKOSA-N	2	1	332.404	1.336	20	5		EDBDMP
C[N@H+](C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000572150324	448301697	/nfs/dbraw/zinc/30/16/97/448301697.db2.gz	UJRDNRZMCLYQBK-AWEZNQCLSA-N	2	1	327.812	1.835	20	5		EDBDMP
C[N@@H+](C[C@@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000572150324	448301700	/nfs/dbraw/zinc/30/17/00/448301700.db2.gz	UJRDNRZMCLYQBK-AWEZNQCLSA-N	2	1	327.812	1.835	20	5		EDBDMP
CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000609559653	450051905	/nfs/dbraw/zinc/05/19/05/450051905.db2.gz	MBJAXDVNPISMQE-CYBMUJFWSA-N	2	1	335.408	1.163	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594661	580725394	/nfs/dbraw/zinc/72/53/94/580725394.db2.gz	OJMAFTYJEWAOJX-GXTWGEPZSA-N	2	1	349.435	1.415	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000788594661	580725395	/nfs/dbraw/zinc/72/53/95/580725395.db2.gz	OJMAFTYJEWAOJX-GXTWGEPZSA-N	2	1	349.435	1.415	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1	ZINC000848529761	595403095	/nfs/dbraw/zinc/40/30/95/595403095.db2.gz	ZSNIDNJZDMIONE-IRXDYDNUSA-N	2	1	335.404	1.471	20	5		EDBDMP
NC(=O)[C@@H]1CCC[N@H+]1C1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000104067459	138299608	/nfs/dbraw/zinc/29/96/08/138299608.db2.gz	OBKZROTVGQHMHZ-INIZCTEOSA-N	2	1	332.404	1.509	20	5		EDBDMP
C[NH2+]CCC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000261981600	139241633	/nfs/dbraw/zinc/24/16/33/139241633.db2.gz	IEFHIEJRNLABFQ-UHFFFAOYSA-N	2	1	346.431	1.805	20	5		EDBDMP
[NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000262142845	139254646	/nfs/dbraw/zinc/25/46/46/139254646.db2.gz	ZFXWVNRWEBJMEY-YERXGYGTSA-N	2	1	346.431	1.928	20	5		EDBDMP
[NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-]	ZINC000262142845	139254647	/nfs/dbraw/zinc/25/46/47/139254647.db2.gz	ZFXWVNRWEBJMEY-YERXGYGTSA-N	2	1	346.431	1.928	20	5		EDBDMP
C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1c[nH+]cn1C	ZINC000530354804	305938705	/nfs/dbraw/zinc/93/87/05/305938705.db2.gz	DTUALFHOJNXWEC-LBPRGKRZSA-N	2	1	331.376	1.878	20	5		EDBDMP
CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000114562993	441667828	/nfs/dbraw/zinc/66/78/28/441667828.db2.gz	GUCZJJQUTLLFTE-GOSISDBHSA-N	2	1	332.448	1.849	20	5		EDBDMP
C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1cccc([N+](=O)[O-])c1	ZINC000174717476	441956795	/nfs/dbraw/zinc/95/67/95/441956795.db2.gz	JLPYDAWTNRMTJB-UHFFFAOYSA-N	2	1	336.436	1.543	20	5		EDBDMP
C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000182959243	442854471	/nfs/dbraw/zinc/85/44/71/442854471.db2.gz	XLHZMPHIBKEROM-UHFFFAOYSA-N	2	1	347.419	1.805	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@@H]([NH2+]CCn2ccc([N+](=O)[O-])n2)[C@@H](C)C1	ZINC000248867789	442931331	/nfs/dbraw/zinc/93/13/31/442931331.db2.gz	BERKYWPQCBIBEM-LSDHHAIUSA-N	2	1	339.440	1.518	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1	ZINC000570443781	448015016	/nfs/dbraw/zinc/01/50/16/448015016.db2.gz	ARZMDKPDMMDWDO-DZGCQCFKSA-N	2	1	335.404	1.408	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1	ZINC000572869847	448485393	/nfs/dbraw/zinc/48/53/93/448485393.db2.gz	TVLFGSKKDRWCAD-CZUORRHYSA-N	2	1	335.404	1.408	20	5		EDBDMP
CC[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1[NH3+]	ZINC000592488747	448859764	/nfs/dbraw/zinc/85/97/64/448859764.db2.gz	MYUGFQBFUGSVOH-OCCSQVGLSA-N	2	1	348.403	1.952	20	5		EDBDMP
C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC(C)(C)[N+](=O)[O-])CC1	ZINC000822721625	594091513	/nfs/dbraw/zinc/09/15/13/594091513.db2.gz	WUPCEBRISBKRSR-UHFFFAOYSA-N	2	1	335.408	1.607	20	5		EDBDMP
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1	ZINC000864091536	596752759	/nfs/dbraw/zinc/75/27/59/596752759.db2.gz	ZYXOYHDNPBCUCH-HZSPNIEDSA-N	2	1	332.404	1.805	20	5		EDBDMP
CC[NH+]1CC[C@H]1CNc1ncnc(NC[C@@H]2CC[N@@H+]2CC)c1[N+](=O)[O-]	ZINC000882959081	598116884	/nfs/dbraw/zinc/11/68/84/598116884.db2.gz	UIVTXCYDYZJLKK-STQMWFEESA-N	2	1	349.439	1.397	20	5		EDBDMP
Cc1c(CN2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)cccc1[N+](=O)[O-]	ZINC000104070287	138299520	/nfs/dbraw/zinc/29/95/20/138299520.db2.gz	KSNDFRAKFXYSLX-KRWDZBQOSA-N	2	1	346.431	1.817	20	5		EDBDMP
O=C(NC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1)[C@@H]1CCC[NH2+]1	ZINC000262256483	139264117	/nfs/dbraw/zinc/26/41/17/139264117.db2.gz	QSTUNCWDPNVVNG-WBVHZDCISA-N	2	1	346.431	1.675	20	5		EDBDMP
C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000566106495	321215351	/nfs/dbraw/zinc/21/53/51/321215351.db2.gz	RVGAZLQHTSZUIL-GOEBONIOSA-N	2	1	339.440	1.254	20	5		EDBDMP
CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000303997992	444239202	/nfs/dbraw/zinc/23/92/02/444239202.db2.gz	PWKPLJVZSXJJNQ-INIZCTEOSA-N	2	1	337.420	1.751	20	5		EDBDMP
CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000303997992	444239204	/nfs/dbraw/zinc/23/92/04/444239204.db2.gz	PWKPLJVZSXJJNQ-INIZCTEOSA-N	2	1	337.420	1.751	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21	ZINC000342113987	445178388	/nfs/dbraw/zinc/17/83/88/445178388.db2.gz	WOFOKYVGBUEDBA-FVQBIDKESA-N	2	1	344.415	1.543	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)N3CCc4ccc([N+](=O)[O-])cc43)C[C@H]21	ZINC000342113987	445178393	/nfs/dbraw/zinc/17/83/93/445178393.db2.gz	WOFOKYVGBUEDBA-FVQBIDKESA-N	2	1	344.415	1.543	20	5		EDBDMP
C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430559482	447778821	/nfs/dbraw/zinc/77/88/21/447778821.db2.gz	XHGRQLAHDDMHKN-STQMWFEESA-N	2	1	348.403	1.952	20	5		EDBDMP
[NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000423032318	447794458	/nfs/dbraw/zinc/79/44/58/447794458.db2.gz	FHUGSGAHHCYPIW-FZMZJTMJSA-N	2	1	327.406	1.086	20	5		EDBDMP
CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000572393831	448367583	/nfs/dbraw/zinc/36/75/83/448367583.db2.gz	ZSBHEBCYGODABE-HUUCEWRRSA-N	2	1	337.420	1.656	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH]c(N3CCC[N@@H+](C[C@H]4CC[NH2+]C4)CC3)nc2c1	ZINC000592495825	448863523	/nfs/dbraw/zinc/86/35/23/448863523.db2.gz	QWUBMYKGFUONFW-ZDUSSCGKSA-N	2	1	344.419	1.593	20	5		EDBDMP
CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000173922657	527836873	/nfs/dbraw/zinc/83/68/73/527836873.db2.gz	TYDJZDZSJOEPAX-ZBFHGGJFSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000173922657	527836883	/nfs/dbraw/zinc/83/68/83/527836883.db2.gz	TYDJZDZSJOEPAX-ZBFHGGJFSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000173922657	527836885	/nfs/dbraw/zinc/83/68/85/527836885.db2.gz	TYDJZDZSJOEPAX-ZBFHGGJFSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000173922657	527836889	/nfs/dbraw/zinc/83/68/89/527836889.db2.gz	TYDJZDZSJOEPAX-ZBFHGGJFSA-N	2	1	337.420	1.608	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000181903886	234373981	/nfs/dbraw/zinc/37/39/81/234373981.db2.gz	STUDXHNJTZOHLM-CVEARBPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1	ZINC000181903886	234373985	/nfs/dbraw/zinc/37/39/85/234373985.db2.gz	STUDXHNJTZOHLM-CVEARBPZSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000247072155	139134245	/nfs/dbraw/zinc/13/42/45/139134245.db2.gz	WQBGAQPDRCKBMD-IIAWOOMASA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000247072155	139134246	/nfs/dbraw/zinc/13/42/46/139134246.db2.gz	WQBGAQPDRCKBMD-IIAWOOMASA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH+]1C	ZINC000247072155	139134247	/nfs/dbraw/zinc/13/42/47/139134247.db2.gz	WQBGAQPDRCKBMD-IIAWOOMASA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH+]1C	ZINC000247072155	139134248	/nfs/dbraw/zinc/13/42/48/139134248.db2.gz	WQBGAQPDRCKBMD-IIAWOOMASA-N	2	1	337.420	1.749	20	5		EDBDMP
C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1	ZINC000358248229	277184483	/nfs/dbraw/zinc/18/44/83/277184483.db2.gz	GDQPMOGWVFSDCW-ZVZYQTTQSA-N	2	1	333.432	1.962	20	5		EDBDMP
C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1	ZINC000358248229	277184484	/nfs/dbraw/zinc/18/44/84/277184484.db2.gz	GDQPMOGWVFSDCW-ZVZYQTTQSA-N	2	1	333.432	1.962	20	5		EDBDMP
C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1	ZINC000429701771	305035545	/nfs/dbraw/zinc/03/55/45/305035545.db2.gz	XCRAASUPTHSEBV-UHFFFAOYSA-N	2	1	346.431	1.723	20	5		EDBDMP
C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1	ZINC000429701771	305035546	/nfs/dbraw/zinc/03/55/46/305035546.db2.gz	XCRAASUPTHSEBV-UHFFFAOYSA-N	2	1	346.431	1.723	20	5		EDBDMP
COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1	ZINC000447526176	305281310	/nfs/dbraw/zinc/28/13/10/305281310.db2.gz	BUFVXWXIYQPLNR-CABCVRRESA-N	2	1	339.440	1.833	20	5		EDBDMP
CN(CCC[N@@H+](C)CCOc1ccccc1[N+](=O)[O-])CC[NH+](C)C	ZINC000289562962	444172866	/nfs/dbraw/zinc/17/28/66/444172866.db2.gz	XXJPUOKCXDMGKQ-UHFFFAOYSA-N	2	1	338.452	1.789	20	5		EDBDMP
Cc1ccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-]	ZINC000362672377	445491575	/nfs/dbraw/zinc/49/15/75/445491575.db2.gz	MSXDQCPLGFOSOS-HNNXBMFYSA-N	2	1	332.404	1.299	20	5		EDBDMP
COc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1	ZINC000420329442	446498986	/nfs/dbraw/zinc/49/89/86/446498986.db2.gz	GUUPTGLOCKPJOH-BETUJISGSA-N	2	1	348.403	1.473	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)c1	ZINC000582482564	448250646	/nfs/dbraw/zinc/25/06/46/448250646.db2.gz	JFCPFMUUHZFFAW-AAEUAGOBSA-N	2	1	332.360	1.205	20	5		EDBDMP
CC[N@H+]1CCCN(c2cc(CN3CCOCC3)ccc2[N+](=O)[O-])CC1	ZINC000572946106	448501185	/nfs/dbraw/zinc/50/11/85/448501185.db2.gz	CGVJYIVTKLMRRH-UHFFFAOYSA-N	2	1	348.447	1.959	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1	ZINC000843073746	595281101	/nfs/dbraw/zinc/28/11/01/595281101.db2.gz	UNPFBBOCLCMYEO-SJORKVTESA-N	2	1	337.420	1.455	20	5		EDBDMP
COC(=O)COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000414904824	250884174	/nfs/dbraw/zinc/88/41/74/250884174.db2.gz	MAZZSPXYDUZXNS-CYBMUJFWSA-N	2	1	337.376	1.378	20	5		EDBDMP
O=C(c1ccc([N+](=O)[O-])s1)N1CC[NH+](CC2CC[NH2+]CC2)CC1	ZINC000262151882	139255569	/nfs/dbraw/zinc/25/55/69/139255569.db2.gz	GAXQFFBAPAWHQE-UHFFFAOYSA-N	2	1	338.433	1.414	20	5		EDBDMP
C[NH+](C)CC1CC[NH+]([C@@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1	ZINC000331679867	141066626	/nfs/dbraw/zinc/06/66/26/141066626.db2.gz	PQVBHCUGHQKSQV-QGZVFWFLSA-N	2	1	346.431	1.974	20	5		EDBDMP
COc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1[N+](=O)[O-]	ZINC000352780266	149162072	/nfs/dbraw/zinc/16/20/72/149162072.db2.gz	SPXYULGDCXFHIK-UHFFFAOYSA-N	2	1	336.436	1.673	20	5		EDBDMP
C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000367847001	154296376	/nfs/dbraw/zinc/29/63/76/154296376.db2.gz	OBJBJDZOUWOQFO-KRWDZBQOSA-N	2	1	332.404	1.951	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000367847001	154296381	/nfs/dbraw/zinc/29/63/81/154296381.db2.gz	OBJBJDZOUWOQFO-KRWDZBQOSA-N	2	1	332.404	1.951	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C2)C1	ZINC000367847001	154296384	/nfs/dbraw/zinc/29/63/84/154296384.db2.gz	OBJBJDZOUWOQFO-KRWDZBQOSA-N	2	1	332.404	1.951	20	5		EDBDMP
C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292050616	289249100	/nfs/dbraw/zinc/24/91/00/289249100.db2.gz	BORAUPMWOPXABH-QGZVFWFLSA-N	2	1	332.404	1.951	20	5		EDBDMP
C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292050616	289249102	/nfs/dbraw/zinc/24/91/02/289249102.db2.gz	BORAUPMWOPXABH-QGZVFWFLSA-N	2	1	332.404	1.951	20	5		EDBDMP
C[NH2+]C[C@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430663946	305061863	/nfs/dbraw/zinc/06/18/63/305061863.db2.gz	KQYFGMLZXVLKIB-CYBMUJFWSA-N	2	1	348.403	1.824	20	5		EDBDMP
C[NH2+]C[C@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430663946	305061864	/nfs/dbraw/zinc/06/18/64/305061864.db2.gz	KQYFGMLZXVLKIB-CYBMUJFWSA-N	2	1	348.403	1.824	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1	ZINC000351859296	445345212	/nfs/dbraw/zinc/34/52/12/445345212.db2.gz	CPZGFNTZCDHNJZ-RYUDHWBXSA-N	2	1	336.392	1.601	20	5		EDBDMP
O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000420381047	446557292	/nfs/dbraw/zinc/55/72/92/446557292.db2.gz	RQQOKDIINLZBMY-QGZVFWFLSA-N	2	1	332.404	1.999	20	5		EDBDMP
C[C@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1	ZINC000574034344	448774447	/nfs/dbraw/zinc/77/44/47/448774447.db2.gz	XBSPYYLBAYYIRM-DZGCQCFKSA-N	2	1	335.404	1.575	20	5		EDBDMP
C[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccc([N+](=O)[O-])cc1	ZINC000903988006	592406403	/nfs/dbraw/zinc/40/64/03/592406403.db2.gz	MLPFYMWFZXICNE-IUODEOHRSA-N	2	1	330.392	1.962	20	5		EDBDMP
Cc1c(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-]	ZINC000849092866	595480087	/nfs/dbraw/zinc/48/00/87/595480087.db2.gz	JYTYFBQZFCUREB-UHFFFAOYSA-N	2	1	335.408	1.239	20	5		EDBDMP
CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(F)cc2[N+](=O)[O-])C1	ZINC000853686176	595855496	/nfs/dbraw/zinc/85/54/96/595855496.db2.gz	VTIKOAJHJBLBAJ-AWEZNQCLSA-N	2	1	340.355	1.842	20	5		EDBDMP
CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(F)cc2[N+](=O)[O-])C1	ZINC000853686176	595855497	/nfs/dbraw/zinc/85/54/97/595855497.db2.gz	VTIKOAJHJBLBAJ-AWEZNQCLSA-N	2	1	340.355	1.842	20	5		EDBDMP
C[C@@H]1C[N@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCN1c1cc[nH+]cc1	ZINC000880259738	597885678	/nfs/dbraw/zinc/88/56/78/597885678.db2.gz	HISIWRBPZQZTFV-CQSZACIVSA-N	2	1	343.387	1.362	20	5		EDBDMP
C[C@@H]1C[N@@H+](CCn2cc([N+](=O)[O-])ccc2=O)CCN1c1cc[nH+]cc1	ZINC000880259738	597885681	/nfs/dbraw/zinc/88/56/81/597885681.db2.gz	HISIWRBPZQZTFV-CQSZACIVSA-N	2	1	343.387	1.362	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CCCO[C@H](C[NH3+])C1	ZINC000420396903	446569904	/nfs/dbraw/zinc/56/99/04/446569904.db2.gz	WSIWSDPHUJAOON-CQSZACIVSA-N	2	1	336.392	1.281	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCCO[C@H](C[NH3+])C1	ZINC000420396903	446569910	/nfs/dbraw/zinc/56/99/10/446569910.db2.gz	WSIWSDPHUJAOON-CQSZACIVSA-N	2	1	336.392	1.281	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C	ZINC000442773582	446963493	/nfs/dbraw/zinc/96/34/93/446963493.db2.gz	XWQATWVQHDVGCT-RYUDHWBXSA-N	2	1	336.392	1.601	20	5		EDBDMP
CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000518171125	448649957	/nfs/dbraw/zinc/64/99/57/448649957.db2.gz	QZBNNOBAVMXLEH-ZBFHGGJFSA-N	2	1	339.440	1.110	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1	ZINC000853115991	595669408	/nfs/dbraw/zinc/66/94/08/595669408.db2.gz	OEURVDNWZKOICD-IAGOWNOFSA-N	2	1	335.404	1.471	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870983938	596429435	/nfs/dbraw/zinc/42/94/35/596429435.db2.gz	ZNYWWGSEGYUDSQ-ISTRZQFTSA-N	2	1	332.404	1.321	20	5		EDBDMP
C[N@H+]1CC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870983938	596429438	/nfs/dbraw/zinc/42/94/38/596429438.db2.gz	ZNYWWGSEGYUDSQ-ISTRZQFTSA-N	2	1	332.404	1.321	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872152335	596813998	/nfs/dbraw/zinc/81/39/98/596813998.db2.gz	PJMQCFSPZOHNCH-YVEFUNNKSA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872152335	596814000	/nfs/dbraw/zinc/81/40/00/596814000.db2.gz	PJMQCFSPZOHNCH-YVEFUNNKSA-N	2	1	348.403	1.473	20	5		EDBDMP
COCC[N@@H+](C)CCNC(=O)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000263706162	139354323	/nfs/dbraw/zinc/35/43/23/139354323.db2.gz	CNYOQLTUHIHAKH-UHFFFAOYSA-N	2	1	347.375	1.089	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000136307855	442659317	/nfs/dbraw/zinc/65/93/17/442659317.db2.gz	ZSWKTDDJMISCKB-MRXNPFEDSA-N	2	1	348.403	1.862	20	5		EDBDMP
Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1cccc([N+](=O)[O-])c1	ZINC000136307855	442659318	/nfs/dbraw/zinc/65/93/18/442659318.db2.gz	ZSWKTDDJMISCKB-MRXNPFEDSA-N	2	1	348.403	1.862	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358503301	319112577	/nfs/dbraw/zinc/11/25/77/319112577.db2.gz	FDHXFIGEPFOPPG-UHFFFAOYSA-N	2	1	348.403	1.617	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358503301	319112580	/nfs/dbraw/zinc/11/25/80/319112580.db2.gz	FDHXFIGEPFOPPG-UHFFFAOYSA-N	2	1	348.403	1.617	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000343999261	444718713	/nfs/dbraw/zinc/71/87/13/444718713.db2.gz	FPUXTXHHRMUIQD-UKRRQHHQSA-N	2	1	334.420	1.833	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000343999261	444718717	/nfs/dbraw/zinc/71/87/17/444718717.db2.gz	FPUXTXHHRMUIQD-UKRRQHHQSA-N	2	1	334.420	1.833	20	5		EDBDMP
COC[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]1	ZINC000423418032	446524750	/nfs/dbraw/zinc/52/47/50/446524750.db2.gz	UAGIBNIPXLATOQ-SQWLQELKSA-N	2	1	337.424	1.633	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+]	ZINC000430559081	447778300	/nfs/dbraw/zinc/77/83/00/447778300.db2.gz	RRDOKCIBXKZPQV-UHFFFAOYSA-N	2	1	338.408	1.849	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+]	ZINC000430564325	447779390	/nfs/dbraw/zinc/77/93/90/447779390.db2.gz	LPTVRSASTDRSTR-UHFFFAOYSA-N	2	1	338.408	1.849	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H](O)C[NH+]3CCCCC3)c2c1	ZINC000601104870	449692433	/nfs/dbraw/zinc/69/24/33/449692433.db2.gz	JWQFBGGYJPSHKP-AWEZNQCLSA-N	2	1	330.388	1.824	20	5		EDBDMP
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21	ZINC000602796964	449817310	/nfs/dbraw/zinc/81/73/10/449817310.db2.gz	LDEMGXUCCLFNBQ-QLFBSQMISA-N	2	1	337.424	1.283	20	5		EDBDMP
Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21	ZINC000602796964	449817313	/nfs/dbraw/zinc/81/73/13/449817313.db2.gz	LDEMGXUCCLFNBQ-QLFBSQMISA-N	2	1	337.424	1.283	20	5		EDBDMP
Cc1nn(C)c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000905703006	592616224	/nfs/dbraw/zinc/61/62/24/592616224.db2.gz	IWAKUXLZUJMBOH-OKILXGFUSA-N	2	1	334.424	1.042	20	5		EDBDMP
Cc1nn(C)c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000905703006	592616226	/nfs/dbraw/zinc/61/62/26/592616226.db2.gz	IWAKUXLZUJMBOH-OKILXGFUSA-N	2	1	334.424	1.042	20	5		EDBDMP
C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000866707561	596302342	/nfs/dbraw/zinc/30/23/42/596302342.db2.gz	IYDSENQYUUYOSE-KSYCFECVSA-N	2	1	346.387	1.523	20	5		EDBDMP
CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895047	596394366	/nfs/dbraw/zinc/39/43/66/596394366.db2.gz	SKDAEDOQUXMDGZ-KSSFIOAISA-N	2	1	348.447	1.959	20	5		EDBDMP
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895047	596394369	/nfs/dbraw/zinc/39/43/69/596394369.db2.gz	SKDAEDOQUXMDGZ-KSSFIOAISA-N	2	1	348.447	1.959	20	5		EDBDMP
O=[N+]([O-])c1cnn(C2CC([NH2+]CC3([NH+]4CCCC4)CCOCC3)C2)c1	ZINC000877018854	597412820	/nfs/dbraw/zinc/41/28/20/597412820.db2.gz	RUXIIFNBZDTEDP-UHFFFAOYSA-N	2	1	349.435	1.729	20	5		EDBDMP
C[C@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@@H+]1C	ZINC000181946251	234390420	/nfs/dbraw/zinc/39/04/20/234390420.db2.gz	GPTMMVVRVNUNNC-KKUMJFAQSA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@H]1C[C@@H]([NH+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[N@H+]1C	ZINC000181946251	234390423	/nfs/dbraw/zinc/39/04/23/234390423.db2.gz	GPTMMVVRVNUNNC-KKUMJFAQSA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000181946251	234390424	/nfs/dbraw/zinc/39/04/24/234390424.db2.gz	GPTMMVVRVNUNNC-KKUMJFAQSA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC[NH+]1C	ZINC000181946251	234390427	/nfs/dbraw/zinc/39/04/27/234390427.db2.gz	GPTMMVVRVNUNNC-KKUMJFAQSA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@@H]([NH2+]C[C@H](O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1	ZINC000563953261	306353191	/nfs/dbraw/zinc/35/31/91/306353191.db2.gz	FOEOGYUCOWVFKP-CJNGLKHVSA-N	2	1	335.404	1.575	20	5		EDBDMP
O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@@H]1CCC[NH2+]1	ZINC000262278409	139265975	/nfs/dbraw/zinc/26/59/75/139265975.db2.gz	UGVHXPOVMYBQOW-ZBFHGGJFSA-N	2	1	346.431	1.675	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1	ZINC000431024916	319937570	/nfs/dbraw/zinc/93/75/70/319937570.db2.gz	QOWOQFFWPGKRQR-UHFFFAOYSA-N	2	1	348.403	1.617	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000346060935	445205664	/nfs/dbraw/zinc/20/56/64/445205664.db2.gz	DIPHMLFBSCHYCZ-DZGCQCFKSA-N	2	1	334.420	1.833	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000346060935	445205665	/nfs/dbraw/zinc/20/56/65/445205665.db2.gz	DIPHMLFBSCHYCZ-DZGCQCFKSA-N	2	1	334.420	1.833	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1	ZINC000351859294	445345382	/nfs/dbraw/zinc/34/53/82/445345382.db2.gz	CPZGFNTZCDHNJZ-NWDGAFQWSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000357065260	445404397	/nfs/dbraw/zinc/40/43/97/445404397.db2.gz	AAYPFDSFCPFQTJ-CHWSQXEVSA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000357065260	445404400	/nfs/dbraw/zinc/40/44/00/445404400.db2.gz	AAYPFDSFCPFQTJ-CHWSQXEVSA-N	2	1	348.403	1.473	20	5		EDBDMP
O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000420339018	446510192	/nfs/dbraw/zinc/51/01/92/446510192.db2.gz	LLVJOQGMQDQNGY-KBPBESRZSA-N	2	1	332.404	1.855	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1	ZINC000572869845	448485474	/nfs/dbraw/zinc/48/54/74/448485474.db2.gz	TVLFGSKKDRWCAD-BBRMVZONSA-N	2	1	335.404	1.408	20	5		EDBDMP
O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)nc1	ZINC000903741395	592303408	/nfs/dbraw/zinc/30/34/08/592303408.db2.gz	PIIVMDOFDICDQB-UNEWFSDZSA-N	2	1	347.419	1.245	20	5		EDBDMP
O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[NH2+]CCC23CCOCC3)c1	ZINC000903815695	592323772	/nfs/dbraw/zinc/32/37/72/592323772.db2.gz	PTRPCBGENJOFEL-UHFFFAOYSA-N	2	1	335.404	1.818	20	5		EDBDMP
O=[N+]([O-])c1cccc(OCC[N@H+]2CC[NH2+]CCC23CCOCC3)c1	ZINC000903815695	592323778	/nfs/dbraw/zinc/32/37/78/592323778.db2.gz	PTRPCBGENJOFEL-UHFFFAOYSA-N	2	1	335.404	1.818	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2	ZINC000903978619	592399789	/nfs/dbraw/zinc/39/97/89/592399789.db2.gz	HXBQLGKPICSEKM-VEOVGUQNSA-N	2	1	345.399	1.820	20	5		EDBDMP
C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870907050	596398995	/nfs/dbraw/zinc/39/89/95/596398995.db2.gz	PTENXPVMBNDJIQ-RPVQJOFSSA-N	2	1	346.431	1.711	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870907050	596398998	/nfs/dbraw/zinc/39/89/98/596398998.db2.gz	PTENXPVMBNDJIQ-RPVQJOFSSA-N	2	1	346.431	1.711	20	5		EDBDMP
C[C@H]1C[N@H+](CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCO1	ZINC000877478045	597522687	/nfs/dbraw/zinc/52/26/87/597522687.db2.gz	KTXITSIOJAGMLR-NFOMZHRRSA-N	2	1	337.424	1.585	20	5		EDBDMP
C[C@H]1C[N@@H+](CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCO1	ZINC000877478045	597522688	/nfs/dbraw/zinc/52/26/88/597522688.db2.gz	KTXITSIOJAGMLR-NFOMZHRRSA-N	2	1	337.424	1.585	20	5		EDBDMP
C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000247072184	139134207	/nfs/dbraw/zinc/13/42/07/139134207.db2.gz	WQBGAQPDRCKBMD-IJEWVQPXSA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000247072184	139134208	/nfs/dbraw/zinc/13/42/08/139134208.db2.gz	WQBGAQPDRCKBMD-IJEWVQPXSA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH+]1C	ZINC000247072184	139134209	/nfs/dbraw/zinc/13/42/09/139134209.db2.gz	WQBGAQPDRCKBMD-IJEWVQPXSA-N	2	1	337.420	1.749	20	5		EDBDMP
C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cccc([N+](=O)[O-])c2)CC[NH+]1C	ZINC000247072184	139134210	/nfs/dbraw/zinc/13/42/10/139134210.db2.gz	WQBGAQPDRCKBMD-IJEWVQPXSA-N	2	1	337.420	1.749	20	5		EDBDMP
[NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1	ZINC000347127173	143285572	/nfs/dbraw/zinc/28/55/72/143285572.db2.gz	YRGDAVYWEKOQJC-OMVNSRBRSA-N	2	1	332.404	1.395	20	5		EDBDMP
CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccccc3[N+](=O)[O-])C2)CC1	ZINC000107369858	441412565	/nfs/dbraw/zinc/41/25/65/441412565.db2.gz	SRHMNINFDJFSPM-MRXNPFEDSA-N	2	1	348.447	1.685	20	5		EDBDMP
CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)CC1	ZINC000114562995	441667932	/nfs/dbraw/zinc/66/79/32/441667932.db2.gz	GUCZJJQUTLLFTE-SFHVURJKSA-N	2	1	332.448	1.849	20	5		EDBDMP
[NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)C1	ZINC000414679220	319340944	/nfs/dbraw/zinc/34/09/44/319340944.db2.gz	RKBSCKLULOKAGR-OAHLLOKOSA-N	2	1	346.431	1.757	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)C[C@H]21	ZINC000342142694	444531816	/nfs/dbraw/zinc/53/18/16/444531816.db2.gz	VZBLBSCPZYLDQV-APHBMKBZSA-N	2	1	332.404	1.983	20	5		EDBDMP
C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000351857517	445344994	/nfs/dbraw/zinc/34/49/94/445344994.db2.gz	BZNXDKDXWYSRCV-RYUDHWBXSA-N	2	1	334.376	1.562	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000357077310	445410694	/nfs/dbraw/zinc/41/06/94/445410694.db2.gz	ARPYMJWFPIRGNM-OLZOCXBDSA-N	2	1	346.387	1.434	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1	ZINC000357077310	445410698	/nfs/dbraw/zinc/41/06/98/445410698.db2.gz	ARPYMJWFPIRGNM-OLZOCXBDSA-N	2	1	346.387	1.434	20	5		EDBDMP
[NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@H]12	ZINC000351474176	446076267	/nfs/dbraw/zinc/07/62/67/446076267.db2.gz	FUMQIQWUAJRBIR-KWCYVHTRSA-N	2	1	346.387	1.562	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000351486459	446086557	/nfs/dbraw/zinc/08/65/57/446086557.db2.gz	AWKPJQCZAQVSFS-NWANDNLSSA-N	2	1	332.404	1.901	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-]	ZINC000596364071	449483539	/nfs/dbraw/zinc/48/35/39/449483539.db2.gz	XDYARUBUYNVTFQ-LBPRGKRZSA-N	2	1	337.424	1.378	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1c(C(N)=O)cccc1[N+](=O)[O-]	ZINC000596364071	449483544	/nfs/dbraw/zinc/48/35/44/449483544.db2.gz	XDYARUBUYNVTFQ-LBPRGKRZSA-N	2	1	337.424	1.378	20	5		EDBDMP
C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])nc3)CC2)C1	ZINC000602546034	449665110	/nfs/dbraw/zinc/66/51/10/449665110.db2.gz	BFKGIYNLEZSHOV-AWEZNQCLSA-N	2	1	333.436	1.890	20	5		EDBDMP
C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000602878533	449886990	/nfs/dbraw/zinc/88/69/90/449886990.db2.gz	YFDTUPLSTFZAKA-MRXNPFEDSA-N	2	1	349.431	1.752	20	5		EDBDMP
CC[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@@H+]2CC)ncc1[N+](=O)[O-]	ZINC000882958850	598116675	/nfs/dbraw/zinc/11/66/75/598116675.db2.gz	MLGGDGYQXLJQBM-CHWSQXEVSA-N	2	1	349.439	1.397	20	5		EDBDMP
CC[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+]2CC)n1	ZINC000882958850	598116678	/nfs/dbraw/zinc/11/66/78/598116678.db2.gz	MLGGDGYQXLJQBM-CHWSQXEVSA-N	2	1	349.439	1.397	20	5		EDBDMP
CC[NH+]1CC[C@@H]1CNc1ncc([N+](=O)[O-])c(NC[C@H]2CC[N@H+]2CC)n1	ZINC000882958850	598116679	/nfs/dbraw/zinc/11/66/79/598116679.db2.gz	MLGGDGYQXLJQBM-CHWSQXEVSA-N	2	1	349.439	1.397	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OCC[N@H+]1CC[C@@H](CN2CCOCC2)C1	ZINC000129307888	223042715	/nfs/dbraw/zinc/04/27/15/223042715.db2.gz	PQFGVVODLOPKMH-OAHLLOKOSA-N	2	1	335.404	1.628	20	5		EDBDMP
C[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@@H]1[NH3+]	ZINC000430957611	305070652	/nfs/dbraw/zinc/07/06/52/305070652.db2.gz	TUYZXOZIWQLZJX-AAEUAGOBSA-N	2	1	334.376	1.562	20	5		EDBDMP
C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093769	443923036	/nfs/dbraw/zinc/92/30/36/443923036.db2.gz	XGNLHINVCPQUSS-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093769	443923040	/nfs/dbraw/zinc/92/30/40/443923040.db2.gz	XGNLHINVCPQUSS-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093769	443923045	/nfs/dbraw/zinc/92/30/45/443923045.db2.gz	XGNLHINVCPQUSS-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093769	443923049	/nfs/dbraw/zinc/92/30/49/443923049.db2.gz	XGNLHINVCPQUSS-SJLPKXTDSA-N	2	1	349.431	1.752	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1	ZINC000351474414	446075190	/nfs/dbraw/zinc/07/51/90/446075190.db2.gz	GAJYKDMYMMIHIA-NWANDNLSSA-N	2	1	332.404	1.901	20	5		EDBDMP
NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1	ZINC000577389019	448284293	/nfs/dbraw/zinc/28/42/93/448284293.db2.gz	UKKRMNDVFZMWGX-XJKSGUPXSA-N	2	1	346.431	1.759	20	5		EDBDMP
NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1	ZINC000577389019	448284299	/nfs/dbraw/zinc/28/42/99/448284299.db2.gz	UKKRMNDVFZMWGX-XJKSGUPXSA-N	2	1	346.431	1.759	20	5		EDBDMP
Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCc2cccc([N+](=O)[O-])c2)cnn1C	ZINC000903917752	592390496	/nfs/dbraw/zinc/39/04/96/592390496.db2.gz	MZBRVISXWDBPSV-MRXNPFEDSA-N	2	1	345.447	1.929	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2	ZINC000903978618	592399132	/nfs/dbraw/zinc/39/91/32/592399132.db2.gz	HXBQLGKPICSEKM-HGDMLWJWSA-N	2	1	345.399	1.820	20	5		EDBDMP
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@H+](C)CCOCC[NH3+]	ZINC000863555292	596617091	/nfs/dbraw/zinc/61/70/91/596617091.db2.gz	QAUCPXUTIXYMCL-SNVBAGLBSA-N	2	1	344.799	1.482	20	5		EDBDMP
C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)[N@@H+](C)CCOCC[NH3+]	ZINC000863555292	596617092	/nfs/dbraw/zinc/61/70/92/596617092.db2.gz	QAUCPXUTIXYMCL-SNVBAGLBSA-N	2	1	344.799	1.482	20	5		EDBDMP
CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@@H+](C2CC2)C1	ZINC000867960647	596636495	/nfs/dbraw/zinc/63/64/95/596636495.db2.gz	ODLITUAODQBOOJ-DOTOQJQBSA-N	2	1	332.404	1.464	20	5		EDBDMP
CN(C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1)[C@H]1CC[N@H+](C2CC2)C1	ZINC000867960647	596636498	/nfs/dbraw/zinc/63/64/98/596636498.db2.gz	ODLITUAODQBOOJ-DOTOQJQBSA-N	2	1	332.404	1.464	20	5		EDBDMP
COC(=O)COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-]	ZINC000261751327	139223040	/nfs/dbraw/zinc/22/30/40/139223040.db2.gz	CDOHKFUDNPEPQO-YPMHNXCESA-N	2	1	337.376	1.316	20	5		EDBDMP
COC(=O)COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1[N+](=O)[O-]	ZINC000261751327	139223041	/nfs/dbraw/zinc/22/30/41/139223041.db2.gz	CDOHKFUDNPEPQO-YPMHNXCESA-N	2	1	337.376	1.316	20	5		EDBDMP
O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1)[C@H]1CCC[NH2+]1	ZINC000262278402	139265952	/nfs/dbraw/zinc/26/59/52/139265952.db2.gz	UGVHXPOVMYBQOW-GDBMZVCRSA-N	2	1	346.431	1.675	20	5		EDBDMP
O=C([C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1)N1CC[NH2+]CC1	ZINC000347022967	143272766	/nfs/dbraw/zinc/27/27/66/143272766.db2.gz	OTIYOVOUZYRHDA-OAHLLOKOSA-N	2	1	332.404	1.239	20	5		EDBDMP
C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000284148936	274096875	/nfs/dbraw/zinc/09/68/75/274096875.db2.gz	PDTLXAJIFMXLBF-AWEZNQCLSA-N	2	1	335.452	1.855	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CCC[C@@H](C[NH3+])C1	ZINC000430646409	305061119	/nfs/dbraw/zinc/06/11/19/305061119.db2.gz	PGPJUZHXRXFAGF-LBPRGKRZSA-N	2	1	336.392	1.603	20	5		EDBDMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000299727591	444125779	/nfs/dbraw/zinc/12/57/79/444125779.db2.gz	SVBJBCWRKBCIFA-CYBMUJFWSA-N	2	1	337.424	1.411	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1	ZINC000351863738	445347080	/nfs/dbraw/zinc/34/70/80/445347080.db2.gz	UUFQZSMHOGMAHN-NWDGAFQWSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000357085564	445417548	/nfs/dbraw/zinc/41/75/48/445417548.db2.gz	KXWJODUEPJWAAN-CHWSQXEVSA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000357085564	445417553	/nfs/dbraw/zinc/41/75/53/445417553.db2.gz	KXWJODUEPJWAAN-CHWSQXEVSA-N	2	1	348.403	1.473	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c([N+](=O)[O-])c1	ZINC000351487858	446090103	/nfs/dbraw/zinc/09/01/03/446090103.db2.gz	CYBDKBNGQVSZJE-FPMFFAJLSA-N	2	1	348.403	1.601	20	5		EDBDMP
CN(C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000420343757	446515796	/nfs/dbraw/zinc/51/57/96/446515796.db2.gz	RELMXOKWTGRNCW-LSDHHAIUSA-N	2	1	346.431	1.879	20	5		EDBDMP
C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870907051	596398431	/nfs/dbraw/zinc/39/84/31/596398431.db2.gz	PTENXPVMBNDJIQ-SKDZVZGDSA-N	2	1	346.431	1.711	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@@H]21	ZINC000870907051	596398434	/nfs/dbraw/zinc/39/84/34/596398434.db2.gz	PTENXPVMBNDJIQ-SKDZVZGDSA-N	2	1	346.431	1.711	20	5		EDBDMP
NC(=O)[C@H]1CCCN1C1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1	ZINC000104070272	138299511	/nfs/dbraw/zinc/29/95/11/138299511.db2.gz	PKJDDALUMFITMW-QGZVFWFLSA-N	2	1	346.431	1.551	20	5		EDBDMP
O=[N+]([O-])c1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cs1	ZINC000414994613	304149242	/nfs/dbraw/zinc/14/92/42/304149242.db2.gz	VQEPPYWGKGYKTR-SNVBAGLBSA-N	2	1	338.355	1.582	20	5		EDBDMP
CC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CC1	ZINC000352538335	162239075	/nfs/dbraw/zinc/23/90/75/162239075.db2.gz	ISVHLXFLBMSITH-UHFFFAOYSA-N	2	1	348.447	1.670	20	5		EDBDMP
CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccccc2[N+](=O)[O-])CC1	ZINC000352538335	162239077	/nfs/dbraw/zinc/23/90/77/162239077.db2.gz	ISVHLXFLBMSITH-UHFFFAOYSA-N	2	1	348.447	1.670	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1	ZINC000430639387	305060805	/nfs/dbraw/zinc/06/08/05/305060805.db2.gz	HXNKUOJXWFUDNS-NSHDSACASA-N	2	1	347.375	1.023	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1	ZINC000430639387	305060806	/nfs/dbraw/zinc/06/08/06/305060806.db2.gz	HXNKUOJXWFUDNS-NSHDSACASA-N	2	1	347.375	1.023	20	5		EDBDMP
CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C1	ZINC000174948305	441987373	/nfs/dbraw/zinc/98/73/73/441987373.db2.gz	HMYAWYZVBNWFOG-ZDUSSCGKSA-N	2	1	334.420	1.857	20	5		EDBDMP
C[N@@H+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1	ZINC000265943281	442979183	/nfs/dbraw/zinc/97/91/83/442979183.db2.gz	GEQMPOKCTPSUMY-GOEBONIOSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1	ZINC000265943281	442979184	/nfs/dbraw/zinc/97/91/84/442979184.db2.gz	GEQMPOKCTPSUMY-GOEBONIOSA-N	2	1	337.420	1.608	20	5		EDBDMP
C[NH+](C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1	ZINC000265943281	442979185	/nfs/dbraw/zinc/97/91/85/442979185.db2.gz	GEQMPOKCTPSUMY-GOEBONIOSA-N	2	1	337.420	1.608	20	5		EDBDMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])[nH]1	ZINC000299727592	444126275	/nfs/dbraw/zinc/12/62/75/444126275.db2.gz	SVBJBCWRKBCIFA-ZDUSSCGKSA-N	2	1	337.424	1.411	20	5		EDBDMP
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000342089726	445165921	/nfs/dbraw/zinc/16/59/21/445165921.db2.gz	BHHTWUNOCFVUQW-GUYJKWIASA-N	2	1	332.404	1.981	20	5		EDBDMP
C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1	ZINC000342089726	445165925	/nfs/dbraw/zinc/16/59/25/445165925.db2.gz	BHHTWUNOCFVUQW-GUYJKWIASA-N	2	1	332.404	1.981	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000351487861	446089531	/nfs/dbraw/zinc/08/95/31/446089531.db2.gz	CYBDKBNGQVSZJE-YUTCNCBUSA-N	2	1	348.403	1.601	20	5		EDBDMP
C[C@@](C[NH3+])([NH2+]CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)C1CC1	ZINC000430542714	447775115	/nfs/dbraw/zinc/77/51/15/447775115.db2.gz	DAZMTBPEBKZUGG-INIZCTEOSA-N	2	1	334.376	1.610	20	5		EDBDMP
NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1	ZINC000577389018	448285322	/nfs/dbraw/zinc/28/53/22/448285322.db2.gz	UKKRMNDVFZMWGX-CZUORRHYSA-N	2	1	346.431	1.759	20	5		EDBDMP
NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1	ZINC000577389018	448285329	/nfs/dbraw/zinc/28/53/29/448285329.db2.gz	UKKRMNDVFZMWGX-CZUORRHYSA-N	2	1	346.431	1.759	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@H](O)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1	ZINC000591726505	448473177	/nfs/dbraw/zinc/47/31/77/448473177.db2.gz	ANGNTQKGJWSYRV-RRFJBIMHSA-N	2	1	335.404	1.551	20	5		EDBDMP
C[N@H+]1CCCN(CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000894376223	591294972	/nfs/dbraw/zinc/29/49/72/591294972.db2.gz	RASMFNQOUSHKFN-UHFFFAOYSA-N	2	1	336.440	1.112	20	5		EDBDMP
CCc1nn(C)c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000905702986	592615791	/nfs/dbraw/zinc/61/57/91/592615791.db2.gz	IKLWOMRSHOFXML-OKILXGFUSA-N	2	1	348.451	1.296	20	5		EDBDMP
CCc1nn(C)c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000905702986	592615794	/nfs/dbraw/zinc/61/57/94/592615794.db2.gz	IKLWOMRSHOFXML-OKILXGFUSA-N	2	1	348.451	1.296	20	5		EDBDMP
C[C@@H]1C[C@H](N(C)C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000867947056	596629479	/nfs/dbraw/zinc/62/94/79/596629479.db2.gz	YAERLDNEXKUQAQ-SUYBPPKGSA-N	2	1	334.420	1.710	20	5		EDBDMP
C[C@@H]1C[C@H](N(C)C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000867947056	596629481	/nfs/dbraw/zinc/62/94/81/596629481.db2.gz	YAERLDNEXKUQAQ-SUYBPPKGSA-N	2	1	334.420	1.710	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21	ZINC000879576305	597639106	/nfs/dbraw/zinc/63/91/06/597639106.db2.gz	UQBZPEPLVMKHBF-CZUORRHYSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21	ZINC000879576305	597639108	/nfs/dbraw/zinc/63/91/08/597639108.db2.gz	UQBZPEPLVMKHBF-CZUORRHYSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21	ZINC000879576305	597639111	/nfs/dbraw/zinc/63/91/11/597639111.db2.gz	UQBZPEPLVMKHBF-CZUORRHYSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc([N+](=O)[O-])cc3)CC[C@H]21	ZINC000879576305	597639113	/nfs/dbraw/zinc/63/91/13/597639113.db2.gz	UQBZPEPLVMKHBF-CZUORRHYSA-N	2	1	332.404	1.949	20	5		EDBDMP
CC[NH+](CC)CCOC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1	ZINC000355330330	150219633	/nfs/dbraw/zinc/21/96/33/150219633.db2.gz	BVHSTRVOZHXJSP-UHFFFAOYSA-N	2	1	339.440	1.651	20	5		EDBDMP
COc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c([N+](=O)[O-])cc1O	ZINC000275627570	273114765	/nfs/dbraw/zinc/11/47/65/273114765.db2.gz	SAIXXWPVOGTDJS-NSHDSACASA-N	2	1	332.360	1.858	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1	ZINC000430939018	305069391	/nfs/dbraw/zinc/06/93/91/305069391.db2.gz	JYDUVCIVPLWQNL-YPMHNXCESA-N	2	1	336.392	1.601	20	5		EDBDMP
Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000517127035	305748079	/nfs/dbraw/zinc/74/80/79/305748079.db2.gz	JNWXGNWWEZMUCI-UKRRQHHQSA-N	2	1	348.403	1.765	20	5		EDBDMP
CC(C)[N@@H+](C)CC1CC[NH+](CCn2cc([N+](=O)[O-])ccc2=O)CC1	ZINC000534870814	306009030	/nfs/dbraw/zinc/00/90/30/306009030.db2.gz	ICQRYOAPSPWUTH-UHFFFAOYSA-N	2	1	336.436	1.809	20	5		EDBDMP
Cc1c(NC(=O)CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000193642318	442763071	/nfs/dbraw/zinc/76/30/71/442763071.db2.gz	LRVMIMBYBZHVIT-OKILXGFUSA-N	2	1	332.404	1.725	20	5		EDBDMP
Cc1c(NC(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000193642318	442763072	/nfs/dbraw/zinc/76/30/72/442763072.db2.gz	LRVMIMBYBZHVIT-OKILXGFUSA-N	2	1	332.404	1.725	20	5		EDBDMP
Cc1c(NC(=O)CC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cccc1[N+](=O)[O-]	ZINC000193642318	442763074	/nfs/dbraw/zinc/76/30/74/442763074.db2.gz	LRVMIMBYBZHVIT-OKILXGFUSA-N	2	1	332.404	1.725	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000265853832	442945845	/nfs/dbraw/zinc/94/58/45/442945845.db2.gz	ZFPJOPOHMMBHMQ-NVXWUHKLSA-N	2	1	349.431	1.752	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1	ZINC000265853832	442945848	/nfs/dbraw/zinc/94/58/48/442945848.db2.gz	ZFPJOPOHMMBHMQ-NVXWUHKLSA-N	2	1	349.431	1.752	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+](C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1	ZINC000420309706	446472813	/nfs/dbraw/zinc/47/28/13/446472813.db2.gz	FGCRYYPXIYUJFO-OAHLLOKOSA-N	2	1	336.392	1.601	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+](C)[C@H](C[NH3+])C2CC2)c([N+](=O)[O-])c1	ZINC000420309706	446472825	/nfs/dbraw/zinc/47/28/25/446472825.db2.gz	FGCRYYPXIYUJFO-OAHLLOKOSA-N	2	1	336.392	1.601	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@H]2CCc3[nH]cnc3C2)c1	ZINC000582482566	448250529	/nfs/dbraw/zinc/25/05/29/448250529.db2.gz	JFCPFMUUHZFFAW-WCQYABFASA-N	2	1	332.360	1.205	20	5		EDBDMP
CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2[N+](=O)[O-])C1	ZINC000572393830	448367635	/nfs/dbraw/zinc/36/76/35/448367635.db2.gz	ZSBHEBCYGODABE-GJZGRUSLSA-N	2	1	337.420	1.656	20	5		EDBDMP
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1	ZINC000774160703	580355444	/nfs/dbraw/zinc/35/54/44/580355444.db2.gz	ALOOJFLUZFYNIV-YHUYYLMFSA-N	2	1	349.435	1.728	20	5		EDBDMP
O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)n1	ZINC000774160703	580355445	/nfs/dbraw/zinc/35/54/45/580355445.db2.gz	ALOOJFLUZFYNIV-YHUYYLMFSA-N	2	1	349.435	1.728	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2c1	ZINC000865484766	596588150	/nfs/dbraw/zinc/58/81/50/596588150.db2.gz	ISILLXAVMVEBGI-UONOGXRCSA-N	2	1	328.372	1.840	20	5		EDBDMP
O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2c1	ZINC000865484766	596588151	/nfs/dbraw/zinc/58/81/51/596588151.db2.gz	ISILLXAVMVEBGI-UONOGXRCSA-N	2	1	328.372	1.840	20	5		EDBDMP
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000877451243	597517288	/nfs/dbraw/zinc/51/72/88/597517288.db2.gz	KUDAIUSQMDXKCA-UXLLHSPISA-N	2	1	332.404	1.464	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000877451243	597517289	/nfs/dbraw/zinc/51/72/89/597517289.db2.gz	KUDAIUSQMDXKCA-UXLLHSPISA-N	2	1	332.404	1.464	20	5		EDBDMP
COc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1[N+](=O)[O-]	ZINC000415140688	304163389	/nfs/dbraw/zinc/16/33/89/304163389.db2.gz	NQGBHIGJKOCWCU-ZBFHGGJFSA-N	2	1	347.415	1.804	20	5		EDBDMP
COC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-]	ZINC000261751323	139223155	/nfs/dbraw/zinc/22/31/55/139223155.db2.gz	CDOHKFUDNPEPQO-WCQYABFASA-N	2	1	337.376	1.316	20	5		EDBDMP
COC(=O)COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1[N+](=O)[O-]	ZINC000261751323	139223156	/nfs/dbraw/zinc/22/31/56/139223156.db2.gz	CDOHKFUDNPEPQO-WCQYABFASA-N	2	1	337.376	1.316	20	5		EDBDMP
COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1[N+](=O)[O-]	ZINC000261911227	139236201	/nfs/dbraw/zinc/23/62/01/139236201.db2.gz	JAHZHJCTKQKKGX-RRFJBIMHSA-N	2	1	335.404	1.850	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1	ZINC000261973507	139240989	/nfs/dbraw/zinc/24/09/89/139240989.db2.gz	QNMCQDPESJDZOU-LBPRGKRZSA-N	2	1	340.811	1.535	20	5		EDBDMP
CN(C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1	ZINC000358500227	151397522	/nfs/dbraw/zinc/39/75/22/151397522.db2.gz	PRGGLARWBBFCGE-UHFFFAOYSA-N	2	1	332.404	1.633	20	5		EDBDMP
O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1[N+](=O)[O-]	ZINC000358503659	319112894	/nfs/dbraw/zinc/11/28/94/319112894.db2.gz	DVHCRNDFMINGCT-UHFFFAOYSA-N	2	1	332.404	1.999	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000442776916	446964043	/nfs/dbraw/zinc/96/40/43/446964043.db2.gz	HXNRAHOUELLFEQ-NWDGAFQWSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000597943314	449153635	/nfs/dbraw/zinc/15/36/35/449153635.db2.gz	XQHHQYVYKHQRCI-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000597943314	449153639	/nfs/dbraw/zinc/15/36/39/449153639.db2.gz	XQHHQYVYKHQRCI-LBPRGKRZSA-N	2	1	340.399	1.736	20	5		EDBDMP
O=C(N[C@@H]1CCN(C2CC2)C1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1	ZINC000057553210	491167018	/nfs/dbraw/zinc/16/70/18/491167018.db2.gz	CYOGRZDQBWPITG-CYBMUJFWSA-N	2	1	341.371	1.747	20	5		EDBDMP
C[C@@H]1[C@H](Nc2nc(N[C@@H]3CC[N@@H+](C)[C@@H]3C)ncc2[N+](=O)[O-])CC[NH+]1C	ZINC000895735866	591264632	/nfs/dbraw/zinc/26/46/32/591264632.db2.gz	GBMZOWFFKYCKQZ-FDYHWXHSSA-N	2	1	349.439	1.394	20	5		EDBDMP
C[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CCOCC2)CC1	ZINC000363593395	153008899	/nfs/dbraw/zinc/00/88/99/153008899.db2.gz	NMCMVTTWHRIPDO-UHFFFAOYSA-N	2	1	337.424	1.367	20	5		EDBDMP
C[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC[NH+](C2CCOCC2)CC1	ZINC000363593395	153008901	/nfs/dbraw/zinc/00/89/01/153008901.db2.gz	NMCMVTTWHRIPDO-UHFFFAOYSA-N	2	1	337.424	1.367	20	5		EDBDMP
C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166169	289278831	/nfs/dbraw/zinc/27/88/31/289278831.db2.gz	PAHOXYHWVKIIAL-PBHICJAKSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166169	289278832	/nfs/dbraw/zinc/27/88/32/289278832.db2.gz	PAHOXYHWVKIIAL-PBHICJAKSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166169	289278834	/nfs/dbraw/zinc/27/88/34/289278834.db2.gz	PAHOXYHWVKIIAL-PBHICJAKSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)C1	ZINC000292166169	289278837	/nfs/dbraw/zinc/27/88/37/289278837.db2.gz	PAHOXYHWVKIIAL-PBHICJAKSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1	ZINC000449134192	305307260	/nfs/dbraw/zinc/30/72/60/305307260.db2.gz	HJLNMXJECCAAQE-GDBMZVCRSA-N	2	1	348.447	1.703	20	5		EDBDMP
COc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c([N+](=O)[O-])c1	ZINC000420334026	446504571	/nfs/dbraw/zinc/50/45/71/446504571.db2.gz	KUTSSRMXEIHUKY-OKILXGFUSA-N	2	1	335.404	1.914	20	5		EDBDMP
C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1	ZINC000423517866	446559535	/nfs/dbraw/zinc/55/95/35/446559535.db2.gz	OJXFDOUBFLPKSL-DOMZBBRYSA-N	2	1	336.392	1.280	20	5		EDBDMP
Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000572658646	448432756	/nfs/dbraw/zinc/43/27/56/448432756.db2.gz	BJBLTEAAWRFHFT-CYBMUJFWSA-N	2	1	330.392	1.842	20	5		EDBDMP
Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1	ZINC000572658646	448432762	/nfs/dbraw/zinc/43/27/62/448432762.db2.gz	BJBLTEAAWRFHFT-CYBMUJFWSA-N	2	1	330.392	1.842	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1	ZINC000591726509	448473419	/nfs/dbraw/zinc/47/34/19/448473419.db2.gz	CMABQPURHIHPHX-IJEWVQPXSA-N	2	1	335.404	1.551	20	5		EDBDMP
CC[C@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+]	ZINC000592488745	448859682	/nfs/dbraw/zinc/85/96/82/448859682.db2.gz	MYUGFQBFUGSVOH-GXTWGEPZSA-N	2	1	348.403	1.952	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2	ZINC000903491925	592185136	/nfs/dbraw/zinc/18/51/36/592185136.db2.gz	GJDFGJLPWBWKBK-VBQJREDUSA-N	2	1	333.388	1.350	20	5		EDBDMP
CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895046	596393819	/nfs/dbraw/zinc/39/38/19/596393819.db2.gz	SKDAEDOQUXMDGZ-KDOFPFPSSA-N	2	1	348.447	1.959	20	5		EDBDMP
CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895046	596393825	/nfs/dbraw/zinc/39/38/25/596393825.db2.gz	SKDAEDOQUXMDGZ-KDOFPFPSSA-N	2	1	348.447	1.959	20	5		EDBDMP
C[NH+]1CCN(C2CC[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)CC1	ZINC000879593818	597649861	/nfs/dbraw/zinc/64/98/61/597649861.db2.gz	ODTXNGQDAOLNBC-SFHVURJKSA-N	2	1	348.447	1.340	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1	ZINC000360567721	152101123	/nfs/dbraw/zinc/10/11/23/152101123.db2.gz	HCILSYCEROCDAI-KRWDZBQOSA-N	2	1	346.387	1.578	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1	ZINC000360567721	152101125	/nfs/dbraw/zinc/10/11/25/152101125.db2.gz	HCILSYCEROCDAI-KRWDZBQOSA-N	2	1	346.387	1.578	20	5		EDBDMP
C[N@@H+](C[C@@H]1CC12CC[NH+](CCn1ccc([N+](=O)[O-])n1)CC2)C1CC1	ZINC000374295669	157230931	/nfs/dbraw/zinc/23/09/31/157230931.db2.gz	KFKKYPFMEBSEFG-AWEZNQCLSA-N	2	1	333.436	1.988	20	5		EDBDMP
COc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c([N+](=O)[O-])c1	ZINC000431039605	305073509	/nfs/dbraw/zinc/07/35/09/305073509.db2.gz	IQDFACGEVZGDLN-UHFFFAOYSA-N	2	1	348.403	1.617	20	5		EDBDMP
C[N@H+]1CCCC[C@H]1CCN1CCN(c2ncccc2[N+](=O)[O-])CC1	ZINC000298041452	444395300	/nfs/dbraw/zinc/39/53/00/444395300.db2.gz	HIPVKPRZICWTHE-HNNXBMFYSA-N	2	1	333.436	1.986	20	5		EDBDMP
O=C1[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCN1c1cccc([N+](=O)[O-])c1	ZINC000363069736	445666178	/nfs/dbraw/zinc/66/61/78/445666178.db2.gz	YOFJFJNXNJWNCV-DOMZBBRYSA-N	2	1	341.371	1.501	20	5		EDBDMP
[NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCCn3c4cc([N+](=O)[O-])ccc4oc3=O)C[C@@H]12	ZINC000351474177	446074811	/nfs/dbraw/zinc/07/48/11/446074811.db2.gz	FUMQIQWUAJRBIR-MRVWCRGKSA-N	2	1	346.387	1.562	20	5		EDBDMP
[NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc([N+](=O)[O-])c3)C2=O)C1	ZINC000443057883	446999331	/nfs/dbraw/zinc/99/93/31/446999331.db2.gz	IPHKHBHAXRLEEU-BBRMVZONSA-N	2	1	332.404	1.761	20	5		EDBDMP
C[NH+](C)CCOC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1	ZINC000738210240	578624533	/nfs/dbraw/zinc/62/45/33/578624533.db2.gz	PZFHIJXUJAQZDO-UHFFFAOYSA-N	2	1	347.419	1.945	20	5		EDBDMP
Cc1c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cccc1[N+](=O)[O-]	ZINC000866711016	596303774	/nfs/dbraw/zinc/30/37/74/596303774.db2.gz	ZPNMKJLWLVKLDN-IMJJTQAJSA-N	2	1	346.387	1.270	20	5		EDBDMP
Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1	ZINC000880259224	597885756	/nfs/dbraw/zinc/88/57/56/597885756.db2.gz	NZIVCTRWXFLXLR-ZDUSSCGKSA-N	2	1	330.392	1.705	20	5		EDBDMP
C[NH+](C)CC1CC[NH+](CC(=O)N2CCc3cc([N+](=O)[O-])ccc32)CC1	ZINC000332261764	141148875	/nfs/dbraw/zinc/14/88/75/141148875.db2.gz	NVKKLCLPTOFLGE-UHFFFAOYSA-N	2	1	346.431	1.758	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000347138785	143286788	/nfs/dbraw/zinc/28/67/88/143286788.db2.gz	UZSLZPJVTPHOFC-MRXNPFEDSA-N	2	1	346.431	1.547	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CCC[C@H](C[NH3+])C1	ZINC000430621283	305059484	/nfs/dbraw/zinc/05/94/84/305059484.db2.gz	CTDPIZFCPUJYFY-GFCCVEGCSA-N	2	1	336.392	1.603	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1	ZINC000430942997	305069874	/nfs/dbraw/zinc/06/98/74/305069874.db2.gz	NTSKOUNOGFIBEF-WCQYABFASA-N	2	1	336.392	1.601	20	5		EDBDMP
Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000517127037	305748168	/nfs/dbraw/zinc/74/81/68/305748168.db2.gz	JNWXGNWWEZMUCI-ZFWWWQNUSA-N	2	1	348.403	1.765	20	5		EDBDMP
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cccc([N+](=O)[O-])c1	ZINC000122944159	441869176	/nfs/dbraw/zinc/86/91/76/441869176.db2.gz	ASTOHUQYNNTQEB-UHFFFAOYSA-N	2	1	334.420	1.693	20	5		EDBDMP
C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000566106496	321215362	/nfs/dbraw/zinc/21/53/62/321215362.db2.gz	RVGAZLQHTSZUIL-HOCLYGCPSA-N	2	1	339.440	1.254	20	5		EDBDMP
CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCn2cc([N+](=O)[O-])cn2)C1	ZINC000350181551	445788251	/nfs/dbraw/zinc/78/82/51/445788251.db2.gz	PURLDLAZSQCHBI-HNNXBMFYSA-N	2	1	325.413	1.224	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c([N+](=O)[O-])c1	ZINC000442776918	446963591	/nfs/dbraw/zinc/96/35/91/446963591.db2.gz	HXNRAHOUELLFEQ-RYUDHWBXSA-N	2	1	336.392	1.601	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)c1	ZINC000591764000	448484724	/nfs/dbraw/zinc/48/47/24/448484724.db2.gz	JITZWNNLSIFSJB-BDVYOWHSSA-N	2	1	349.431	1.941	20	5		EDBDMP
C[NH+](C)CCC[N@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	ZINC000596425835	449497238	/nfs/dbraw/zinc/49/72/38/449497238.db2.gz	WMDBABKHRAVXEY-UHFFFAOYSA-N	2	1	349.435	1.775	20	5		EDBDMP
C[NH+](C)CCC[N@@H+](C)CCNc1cc2c(cc1[N+](=O)[O-])CCC(=O)N2	ZINC000596425835	449497240	/nfs/dbraw/zinc/49/72/40/449497240.db2.gz	WMDBABKHRAVXEY-UHFFFAOYSA-N	2	1	349.435	1.775	20	5		EDBDMP
C[N@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506873	450194739	/nfs/dbraw/zinc/19/47/39/450194739.db2.gz	IFINBQIKPCABBG-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506873	450194744	/nfs/dbraw/zinc/19/47/44/450194744.db2.gz	IFINBQIKPCABBG-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506873	450194748	/nfs/dbraw/zinc/19/47/48/450194748.db2.gz	IFINBQIKPCABBG-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506873	450194751	/nfs/dbraw/zinc/19/47/51/450194751.db2.gz	IFINBQIKPCABBG-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1cccc([N+](=O)[O-])c1)C2	ZINC000595506873	450194755	/nfs/dbraw/zinc/19/47/55/450194755.db2.gz	IFINBQIKPCABBG-FUHWJXTLSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000877451244	597517403	/nfs/dbraw/zinc/51/74/03/597517403.db2.gz	KUDAIUSQMDXKCA-ZMSDIMECSA-N	2	1	332.404	1.464	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000877451244	597517404	/nfs/dbraw/zinc/51/74/04/597517404.db2.gz	KUDAIUSQMDXKCA-ZMSDIMECSA-N	2	1	332.404	1.464	20	5		EDBDMP
CCOc1ccc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1	ZINC000430608024	305058655	/nfs/dbraw/zinc/05/86/55/305058655.db2.gz	DEPAGWCZWASNED-UHFFFAOYSA-N	2	1	336.392	1.603	20	5		EDBDMP
C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1	ZINC000430640522	305060718	/nfs/dbraw/zinc/06/07/18/305060718.db2.gz	RDGISVCPOWPLDA-GDBMZVCRSA-N	2	1	346.431	1.800	20	5		EDBDMP
C[NH2+]C[C@@H]1CCC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430663947	305061757	/nfs/dbraw/zinc/06/17/57/305061757.db2.gz	KQYFGMLZXVLKIB-ZDUSSCGKSA-N	2	1	348.403	1.824	20	5		EDBDMP
C[NH2+]C[C@@H]1CCC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430663947	305061758	/nfs/dbraw/zinc/06/17/58/305061758.db2.gz	KQYFGMLZXVLKIB-ZDUSSCGKSA-N	2	1	348.403	1.824	20	5		EDBDMP
C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000128156028	442248667	/nfs/dbraw/zinc/24/86/67/442248667.db2.gz	DIPHMLFBSCHYCZ-ZFWWWQNUSA-N	2	1	334.420	1.833	20	5		EDBDMP
C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc([N+](=O)[O-])cc1	ZINC000128156028	442248675	/nfs/dbraw/zinc/24/86/75/442248675.db2.gz	DIPHMLFBSCHYCZ-ZFWWWQNUSA-N	2	1	334.420	1.833	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1	ZINC000193625484	442761158	/nfs/dbraw/zinc/76/11/58/442761158.db2.gz	SGFFEXRBXAWNAS-OKILXGFUSA-N	2	1	332.404	1.725	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1	ZINC000193625484	442761160	/nfs/dbraw/zinc/76/11/60/442761160.db2.gz	SGFFEXRBXAWNAS-OKILXGFUSA-N	2	1	332.404	1.725	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1	ZINC000193625484	442761162	/nfs/dbraw/zinc/76/11/62/442761162.db2.gz	SGFFEXRBXAWNAS-OKILXGFUSA-N	2	1	332.404	1.725	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	ZINC000351864936	445347552	/nfs/dbraw/zinc/34/75/52/445347552.db2.gz	ZWLMCNKOKQVONM-NEPJUHHUSA-N	2	1	336.392	1.601	20	5		EDBDMP
Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1	ZINC000363135492	445691530	/nfs/dbraw/zinc/69/15/30/445691530.db2.gz	VNKJRDPKDZXSAR-AWEZNQCLSA-N	2	1	330.392	1.929	20	5		EDBDMP
Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCn3cc([N+](=O)[O-])cn3)C2)c1	ZINC000363135492	445691534	/nfs/dbraw/zinc/69/15/34/445691534.db2.gz	VNKJRDPKDZXSAR-AWEZNQCLSA-N	2	1	330.392	1.929	20	5		EDBDMP
C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1C[NH2+]CCCO1	ZINC000423517871	446559457	/nfs/dbraw/zinc/55/94/57/446559457.db2.gz	OJXFDOUBFLPKSL-WFASDCNBSA-N	2	1	336.392	1.280	20	5		EDBDMP
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1	ZINC000570443784	448015501	/nfs/dbraw/zinc/01/55/01/448015501.db2.gz	ARZMDKPDMMDWDO-ZFWWWQNUSA-N	2	1	335.404	1.408	20	5		EDBDMP
O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1	ZINC000595886744	449233041	/nfs/dbraw/zinc/23/30/41/449233041.db2.gz	YNSTWNRHTOQWBM-INIZCTEOSA-N	2	1	332.404	1.238	20	5		EDBDMP
C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)COc3ccccc3[N+](=O)[O-])C2)CC1	ZINC000602877744	449885659	/nfs/dbraw/zinc/88/56/59/449885659.db2.gz	MDVAMONQAXAESQ-OAHLLOKOSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000762786734	580083101	/nfs/dbraw/zinc/08/31/01/580083101.db2.gz	KQRKCJDBJNHRAH-QGZVFWFLSA-N	2	1	334.420	1.220	20	5		EDBDMP
C[N@H+]1CC[C@@](O)(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000762786734	580083102	/nfs/dbraw/zinc/08/31/02/580083102.db2.gz	KQRKCJDBJNHRAH-QGZVFWFLSA-N	2	1	334.420	1.220	20	5		EDBDMP
C[N@H+]1CCN(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1(C)C	ZINC000819286054	593748443	/nfs/dbraw/zinc/74/84/43/593748443.db2.gz	DUUMDCVVJONAJK-MRXNPFEDSA-N	2	1	336.436	1.244	20	5		EDBDMP
C[NH+](C)CC1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1	ZINC000870893628	596393418	/nfs/dbraw/zinc/39/34/18/596393418.db2.gz	ZZLMVZRXHHMWEL-QGZVFWFLSA-N	2	1	334.420	1.569	20	5		EDBDMP
C[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C2CCOCC2)CC1	ZINC000363586272	153006579	/nfs/dbraw/zinc/00/65/79/153006579.db2.gz	JDYSMEJHTNESNS-UHFFFAOYSA-N	2	1	337.424	1.367	20	5		EDBDMP
C[N@@H+](CCn1cc([N+](=O)[O-])cn1)C1CC[NH+](C2CCOCC2)CC1	ZINC000363586272	153006581	/nfs/dbraw/zinc/00/65/81/153006581.db2.gz	JDYSMEJHTNESNS-UHFFFAOYSA-N	2	1	337.424	1.367	20	5		EDBDMP
C[N@@H+](C[C@@H]1CC12CC[NH+](CCn1cc([N+](=O)[O-])cn1)CC2)C1CC1	ZINC000372416918	156379402	/nfs/dbraw/zinc/37/94/02/156379402.db2.gz	SFUPAOLLOIXCSH-AWEZNQCLSA-N	2	1	333.436	1.988	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270501	273185468	/nfs/dbraw/zinc/18/54/68/273185468.db2.gz	RQEUVEUDQJWODC-LSDHHAIUSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000277270501	273185469	/nfs/dbraw/zinc/18/54/69/273185469.db2.gz	RQEUVEUDQJWODC-LSDHHAIUSA-N	2	1	337.420	1.751	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000428045810	305005522	/nfs/dbraw/zinc/00/55/22/305005522.db2.gz	RKEUAQOAQFABRO-TZMCWYRMSA-N	2	1	346.387	1.577	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1	ZINC000428045810	305005523	/nfs/dbraw/zinc/00/55/23/305005523.db2.gz	RKEUAQOAQFABRO-TZMCWYRMSA-N	2	1	346.387	1.577	20	5		EDBDMP
COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1	ZINC000443065054	305234330	/nfs/dbraw/zinc/23/43/30/305234330.db2.gz	ZIJHZOYJAQZTDW-LBPRGKRZSA-N	2	1	336.392	1.603	20	5		EDBDMP
COc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1	ZINC000443065054	305234331	/nfs/dbraw/zinc/23/43/31/305234331.db2.gz	ZIJHZOYJAQZTDW-LBPRGKRZSA-N	2	1	336.392	1.603	20	5		EDBDMP
C[N@H+](C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000572150325	448302558	/nfs/dbraw/zinc/30/25/58/448302558.db2.gz	UJRDNRZMCLYQBK-CQSZACIVSA-N	2	1	327.812	1.835	20	5		EDBDMP
C[N@@H+](C[C@H](O)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	ZINC000572150325	448302565	/nfs/dbraw/zinc/30/25/65/448302565.db2.gz	UJRDNRZMCLYQBK-CQSZACIVSA-N	2	1	327.812	1.835	20	5		EDBDMP
C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1[N+](=O)[O-])C1=CC[N@@H+](C)CC1	ZINC000574034346	448774733	/nfs/dbraw/zinc/77/47/33/448774733.db2.gz	XBSPYYLBAYYIRM-UKRRQHHQSA-N	2	1	335.404	1.575	20	5		EDBDMP
O=[N+]([O-])c1ccccc1N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1	ZINC000595891757	449236185	/nfs/dbraw/zinc/23/61/85/449236185.db2.gz	NXFFQECTCWVIQA-AWEZNQCLSA-N	2	1	332.404	1.238	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000598684985	449543014	/nfs/dbraw/zinc/54/30/14/449543014.db2.gz	ZOWBYNDRXAEXCG-YVEFUNNKSA-N	2	1	348.403	1.745	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1	ZINC000598684985	449543021	/nfs/dbraw/zinc/54/30/21/449543021.db2.gz	ZOWBYNDRXAEXCG-YVEFUNNKSA-N	2	1	348.403	1.745	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2C[NH2+]C[C@]2(C)C1	ZINC000872152368	596813899	/nfs/dbraw/zinc/81/38/99/596813899.db2.gz	QCAUSNRUNGQJBK-SUMWQHHRSA-N	2	1	332.404	1.773	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000261822805	139229104	/nfs/dbraw/zinc/22/91/04/139229104.db2.gz	WUUZMMVHLHMKLU-LBPRGKRZSA-N	2	1	340.811	1.535	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000261822805	139229105	/nfs/dbraw/zinc/22/91/05/139229105.db2.gz	WUUZMMVHLHMKLU-LBPRGKRZSA-N	2	1	340.811	1.535	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1	ZINC000261941070	139238798	/nfs/dbraw/zinc/23/87/98/139238798.db2.gz	MVNASAFTLJQZLZ-OAGGEKHMSA-N	2	1	335.404	1.850	20	5		EDBDMP
C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264926	289301170	/nfs/dbraw/zinc/30/11/70/289301170.db2.gz	ZBBSGHLNYYKIIF-RDJZCZTQSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264926	289301174	/nfs/dbraw/zinc/30/11/74/289301174.db2.gz	ZBBSGHLNYYKIIF-RDJZCZTQSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264926	289301175	/nfs/dbraw/zinc/30/11/75/289301175.db2.gz	ZBBSGHLNYYKIIF-RDJZCZTQSA-N	2	1	335.404	1.362	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000428043423	305005457	/nfs/dbraw/zinc/00/54/57/305005457.db2.gz	GJEOVWDNWCMTDW-OCCSQVGLSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000428043423	305005458	/nfs/dbraw/zinc/00/54/58/305005458.db2.gz	GJEOVWDNWCMTDW-OCCSQVGLSA-N	2	1	348.403	1.616	20	5		EDBDMP
[NH3+][C@H]1CCC[C@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000518999479	305765938	/nfs/dbraw/zinc/76/59/38/305765938.db2.gz	CIWMYVSJEVBSTO-RYUDHWBXSA-N	2	1	327.406	1.228	20	5		EDBDMP
O=C(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)NCC[NH+]1CCCCCC1	ZINC000552064629	306174798	/nfs/dbraw/zinc/17/47/98/306174798.db2.gz	CBMGMNWJUIYUKA-UHFFFAOYSA-N	2	1	334.420	1.677	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])C[C@H]21	ZINC000342105177	445174287	/nfs/dbraw/zinc/17/42/87/445174287.db2.gz	NZJRQXRCAJCDOZ-BFHYXJOUSA-N	2	1	332.404	1.983	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000357077312	445410777	/nfs/dbraw/zinc/41/07/77/445410777.db2.gz	ARPYMJWFPIRGNM-QWHCGFSZSA-N	2	1	346.387	1.434	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000357077312	445410783	/nfs/dbraw/zinc/41/07/83/445410783.db2.gz	ARPYMJWFPIRGNM-QWHCGFSZSA-N	2	1	346.387	1.434	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1	ZINC000430552923	447776715	/nfs/dbraw/zinc/77/67/15/447776715.db2.gz	OCDVSRPBOFXZSP-MRXNPFEDSA-N	2	1	336.392	1.649	20	5		EDBDMP
O=[N+]([O-])c1cnn(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1	ZINC000601964700	449248436	/nfs/dbraw/zinc/24/84/36/449248436.db2.gz	LOBYJTWGXSYINU-KRWDZBQOSA-N	2	1	345.403	1.018	20	5		EDBDMP
O=[N+]([O-])c1cnn(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1	ZINC000601964700	449248439	/nfs/dbraw/zinc/24/84/39/449248439.db2.gz	LOBYJTWGXSYINU-KRWDZBQOSA-N	2	1	345.403	1.018	20	5		EDBDMP
CC(C)[N@@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc([N+](=O)[O-])cc1	ZINC000262045290	535049639	/nfs/dbraw/zinc/04/96/39/535049639.db2.gz	HXLQXHRSAYNRJT-UHFFFAOYSA-N	2	1	334.420	1.627	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])c(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)n1	ZINC000905701146	592614470	/nfs/dbraw/zinc/61/44/70/592614470.db2.gz	URJRYXOHVPDSKI-GASCZTMLSA-N	2	1	331.420	1.703	20	5		EDBDMP
C[N@@H+]1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C	ZINC000858138562	595710475	/nfs/dbraw/zinc/71/04/75/595710475.db2.gz	DOHAXZLHJNEOLY-NUEKZKHPSA-N	2	1	337.420	1.452	20	5		EDBDMP
C[N@H+]1CC[C@H]([NH2+][C@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C	ZINC000858138562	595710479	/nfs/dbraw/zinc/71/04/79/595710479.db2.gz	DOHAXZLHJNEOLY-NUEKZKHPSA-N	2	1	337.420	1.452	20	5		EDBDMP
C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000866709199	596302618	/nfs/dbraw/zinc/30/26/18/596302618.db2.gz	ITXXUSCNZYIDBL-RKLWJJNISA-N	2	1	346.387	1.523	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1	ZINC000563275918	306325873	/nfs/dbraw/zinc/32/58/73/306325873.db2.gz	QVKLRFIGCUMQBF-UHFFFAOYSA-N	2	1	336.392	1.603	20	5		EDBDMP
C[C@H]([NH2+]C[C@@H](O)COc1cccc([N+](=O)[O-])c1)C1=CC[N@@H+](C)CC1	ZINC000563953263	306353206	/nfs/dbraw/zinc/35/32/06/306353206.db2.gz	FOEOGYUCOWVFKP-XJKSGUPXSA-N	2	1	335.404	1.575	20	5		EDBDMP
CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCn2ccc([N+](=O)[O-])n2)C1	ZINC000357928199	151199554	/nfs/dbraw/zinc/19/95/54/151199554.db2.gz	KNAJPCTXARVBJW-CQSZACIVSA-N	2	1	325.413	1.224	20	5		EDBDMP
Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1	ZINC000360560365	152096323	/nfs/dbraw/zinc/09/63/23/152096323.db2.gz	FTXYSNGGDIGYNN-KRWDZBQOSA-N	2	1	332.404	1.917	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C	ZINC000420356309	446535996	/nfs/dbraw/zinc/53/59/96/446535996.db2.gz	GAYCTCUBQLFMFX-CQSZACIVSA-N	2	1	338.408	1.895	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1	ZINC000598682471	449540878	/nfs/dbraw/zinc/54/08/78/449540878.db2.gz	NAQDUNRNJCDNFK-SJCJKPOMSA-N	2	1	348.403	1.745	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c([N+](=O)[O-])c1	ZINC000598682471	449540884	/nfs/dbraw/zinc/54/08/84/449540884.db2.gz	NAQDUNRNJCDNFK-SJCJKPOMSA-N	2	1	348.403	1.745	20	5		EDBDMP
CN(C(=O)c1ccc([N+](=O)[O-])n1C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000609559189	450051612	/nfs/dbraw/zinc/05/16/12/450051612.db2.gz	AJVFVBNKCXIPKM-CQSZACIVSA-N	2	1	349.435	1.174	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C)c1ccccc1[N+](=O)[O-])C2	ZINC000903492269	592184924	/nfs/dbraw/zinc/18/49/24/592184924.db2.gz	KWHFKVCXDICGFM-ZHRONYKTSA-N	2	1	333.388	1.868	20	5		EDBDMP
Cc1cc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)ncc1[N+](=O)[O-]	ZINC000905702003	592615428	/nfs/dbraw/zinc/61/54/28/592615428.db2.gz	CCRRXEVAHUUVDD-GASCZTMLSA-N	2	1	331.420	1.703	20	5		EDBDMP
CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895045	596394044	/nfs/dbraw/zinc/39/40/44/596394044.db2.gz	SKDAEDOQUXMDGZ-KBXCAEBGSA-N	2	1	348.447	1.959	20	5		EDBDMP
CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895045	596394048	/nfs/dbraw/zinc/39/40/48/596394048.db2.gz	SKDAEDOQUXMDGZ-KBXCAEBGSA-N	2	1	348.447	1.959	20	5		EDBDMP
C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000247881003	139155475	/nfs/dbraw/zinc/15/54/75/139155475.db2.gz	BPXBKWHVXAKSHF-QGPMSJSTSA-N	2	1	349.431	1.751	20	5		EDBDMP
C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000247881003	139155476	/nfs/dbraw/zinc/15/54/76/139155476.db2.gz	BPXBKWHVXAKSHF-QGPMSJSTSA-N	2	1	349.431	1.751	20	5		EDBDMP
C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000247881003	139155477	/nfs/dbraw/zinc/15/54/77/139155477.db2.gz	BPXBKWHVXAKSHF-QGPMSJSTSA-N	2	1	349.431	1.751	20	5		EDBDMP
CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000414976132	447382202	/nfs/dbraw/zinc/38/22/02/447382202.db2.gz	NNLIXPCNRQTBSX-USXIJHARSA-N	2	1	332.448	1.799	20	5		EDBDMP
C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1	ZINC000285107292	443858685	/nfs/dbraw/zinc/85/86/85/443858685.db2.gz	KQGAOEWLLDMEEI-CYBMUJFWSA-N	2	1	335.452	1.854	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1	ZINC000351864939	445347632	/nfs/dbraw/zinc/34/76/32/445347632.db2.gz	ZWLMCNKOKQVONM-VXGBXAGGSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[N@H+]1CCC[C@H](N2CCN(CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000363180066	445709644	/nfs/dbraw/zinc/70/96/44/445709644.db2.gz	WVDOOZPMGSIHLD-SFHVURJKSA-N	2	1	332.448	1.849	20	5		EDBDMP
C[N@H+]1CCC[C@H](N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)C1	ZINC000363180066	445709652	/nfs/dbraw/zinc/70/96/52/445709652.db2.gz	WVDOOZPMGSIHLD-SFHVURJKSA-N	2	1	332.448	1.849	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1	ZINC000371283807	446741614	/nfs/dbraw/zinc/74/16/14/446741614.db2.gz	LVEXRKFAKIBRMD-VNQPRFMTSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1	ZINC000371283807	446741619	/nfs/dbraw/zinc/74/16/19/446741619.db2.gz	LVEXRKFAKIBRMD-VNQPRFMTSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000371283807	446741622	/nfs/dbraw/zinc/74/16/22/446741622.db2.gz	LVEXRKFAKIBRMD-VNQPRFMTSA-N	2	1	332.404	1.173	20	5		EDBDMP
O=c1ccc([N+](=O)[O-])cn1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1	ZINC000371283807	446741627	/nfs/dbraw/zinc/74/16/27/446741627.db2.gz	LVEXRKFAKIBRMD-VNQPRFMTSA-N	2	1	332.404	1.173	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C	ZINC000442773581	446964006	/nfs/dbraw/zinc/96/40/06/446964006.db2.gz	XWQATWVQHDVGCT-NWDGAFQWSA-N	2	1	336.392	1.601	20	5		EDBDMP
CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)Cn2cc([N+](=O)[O-])cn2)CC1	ZINC000525787706	448025038	/nfs/dbraw/zinc/02/50/38/448025038.db2.gz	WYKARWHWOASPMH-INIZCTEOSA-N	2	1	339.440	1.204	20	5		EDBDMP
C[NH+](C)CCC[N@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21	ZINC000596425179	449495611	/nfs/dbraw/zinc/49/56/11/449495611.db2.gz	OKZPLHSXOZDLRL-UHFFFAOYSA-N	2	1	338.437	1.895	20	5		EDBDMP
C[NH+](C)CCC[N@@H+](C)CCNc1ncnc2sc([N+](=O)[O-])cc21	ZINC000596425179	449495615	/nfs/dbraw/zinc/49/56/15/449495615.db2.gz	OKZPLHSXOZDLRL-UHFFFAOYSA-N	2	1	338.437	1.895	20	5		EDBDMP
C[NH+](C)CCC[N@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000596425663	449497447	/nfs/dbraw/zinc/49/74/47/449497447.db2.gz	UCZCTYZSGPARRW-UHFFFAOYSA-N	2	1	331.420	2.438	20	5		EDBDMP
C[NH+](C)CCC[N@@H+](C)CCNc1ccc2cc([N+](=O)[O-])ccc2n1	ZINC000596425663	449497451	/nfs/dbraw/zinc/49/74/51/449497451.db2.gz	UCZCTYZSGPARRW-UHFFFAOYSA-N	2	1	331.420	2.438	20	5		EDBDMP
CCOCCC[N@H+]1CC[C@@H](NCc2cn(C)nc2[N+](=O)[O-])[C@H](C)C1	ZINC000602814260	449828032	/nfs/dbraw/zinc/82/80/32/449828032.db2.gz	YSEZUNCVABIQAE-UKRRQHHQSA-N	2	1	339.440	1.555	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1	ZINC000819083798	593737815	/nfs/dbraw/zinc/73/78/15/593737815.db2.gz	FXUGBPXRWAUCIP-RDTXWAMCSA-N	2	1	349.431	1.719	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000870983942	596429064	/nfs/dbraw/zinc/42/90/64/596429064.db2.gz	ZNYWWGSEGYUDSQ-VMGRFDJRSA-N	2	1	332.404	1.321	20	5		EDBDMP
C[N@H+]1CC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3cccc([N+](=O)[O-])c3)CC[C@H]21	ZINC000870983942	596429067	/nfs/dbraw/zinc/42/90/67/596429067.db2.gz	ZNYWWGSEGYUDSQ-VMGRFDJRSA-N	2	1	332.404	1.321	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000873193395	597223318	/nfs/dbraw/zinc/22/33/18/597223318.db2.gz	OOFDFEDXOUOJNG-RKTXRCNFSA-N	2	1	335.404	1.206	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000873193395	597223320	/nfs/dbraw/zinc/22/33/20/597223320.db2.gz	OOFDFEDXOUOJNG-RKTXRCNFSA-N	2	1	335.404	1.206	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000873193395	597223322	/nfs/dbraw/zinc/22/33/22/597223322.db2.gz	OOFDFEDXOUOJNG-RKTXRCNFSA-N	2	1	335.404	1.206	20	5		EDBDMP
CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)COc1ccccc1[N+](=O)[O-]	ZINC000248457494	139164999	/nfs/dbraw/zinc/16/49/99/139164999.db2.gz	MIOJRTBFAFFSQX-OWCLPIDISA-N	2	1	349.431	1.893	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1	ZINC000359294792	151674001	/nfs/dbraw/zinc/67/40/01/151674001.db2.gz	ATGIKECWCHSDRV-RYUDHWBXSA-N	2	1	332.360	1.044	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345060	273190617	/nfs/dbraw/zinc/19/06/17/273190617.db2.gz	WIYJEERHDFMZLU-ZBFHGGJFSA-N	2	1	337.420	1.751	20	5		EDBDMP
C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cccc([N+](=O)[O-])c2)CC1	ZINC000277345060	273190619	/nfs/dbraw/zinc/19/06/19/273190619.db2.gz	WIYJEERHDFMZLU-ZBFHGGJFSA-N	2	1	337.420	1.751	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000428041356	305005212	/nfs/dbraw/zinc/00/52/12/305005212.db2.gz	HWHUIQBBWPGUIL-OCCSQVGLSA-N	2	1	348.403	1.616	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000428041356	305005213	/nfs/dbraw/zinc/00/52/13/305005213.db2.gz	HWHUIQBBWPGUIL-OCCSQVGLSA-N	2	1	348.403	1.616	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000428044903	305005383	/nfs/dbraw/zinc/00/53/83/305005383.db2.gz	NXUUOYOREMKCAJ-CJNGLKHVSA-N	2	1	332.404	1.916	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1	ZINC000428044903	305005384	/nfs/dbraw/zinc/00/53/84/305005384.db2.gz	NXUUOYOREMKCAJ-CJNGLKHVSA-N	2	1	332.404	1.916	20	5		EDBDMP
C[C@@H]1C[C@@H](N(C)CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC[N@H+]1C	ZINC000123085544	441875297	/nfs/dbraw/zinc/87/52/97/441875297.db2.gz	MZWYQDGKYBKCQD-HIFRSBDPSA-N	2	1	346.431	1.898	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21	ZINC000420391401	446566157	/nfs/dbraw/zinc/56/61/57/446566157.db2.gz	SLERBMKOUGCECV-CVEARBPZSA-N	2	1	347.415	1.804	20	5		EDBDMP
C[N@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCn2cc[nH+]c2C1	ZINC000368077899	446625573	/nfs/dbraw/zinc/62/55/73/446625573.db2.gz	ZNNQXEPPFPPYSX-ZDUSSCGKSA-N	2	1	331.376	1.147	20	5		EDBDMP
C[N@@H+](CCn1cc([N+](=O)[O-])ccc1=O)C[C@H]1CCn2cc[nH+]c2C1	ZINC000368077899	446625575	/nfs/dbraw/zinc/62/55/75/446625575.db2.gz	ZNNQXEPPFPPYSX-ZDUSSCGKSA-N	2	1	331.376	1.147	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])C[C@H]1C	ZINC000442773580	446963905	/nfs/dbraw/zinc/96/39/05/446963905.db2.gz	XWQATWVQHDVGCT-NEPJUHHUSA-N	2	1	336.392	1.601	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000855347148	595682078	/nfs/dbraw/zinc/68/20/78/595682078.db2.gz	VNPISAVRPIFNOR-LBPRGKRZSA-N	2	1	337.424	1.179	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc([N+](=O)[O-])ccc1N	ZINC000855347148	595682081	/nfs/dbraw/zinc/68/20/81/595682081.db2.gz	VNPISAVRPIFNOR-LBPRGKRZSA-N	2	1	337.424	1.179	20	5		EDBDMP
C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1	ZINC000866709195	596303354	/nfs/dbraw/zinc/30/33/54/596303354.db2.gz	ITXXUSCNZYIDBL-KOZAUXTDSA-N	2	1	346.387	1.523	20	5		EDBDMP
Cc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-]	ZINC000866711198	596304082	/nfs/dbraw/zinc/30/40/82/596304082.db2.gz	DZLKXVHNWNYBDT-BMFZPTHFSA-N	2	1	346.387	1.270	20	5		EDBDMP
Cc1ccc(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1[N+](=O)[O-]	ZINC000866711198	596304085	/nfs/dbraw/zinc/30/40/85/596304085.db2.gz	DZLKXVHNWNYBDT-BMFZPTHFSA-N	2	1	346.387	1.270	20	5		EDBDMP
C[NH+](C)[C@H]1CCCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC1	ZINC000870926390	596408576	/nfs/dbraw/zinc/40/85/76/596408576.db2.gz	BGMLRDYFFGFCFJ-WMLDXEAASA-N	2	1	334.420	1.711	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974830	596640859	/nfs/dbraw/zinc/64/08/59/596640859.db2.gz	WOOPLQGJMPNDJA-MZMPZRCHSA-N	2	1	346.431	1.711	20	5		EDBDMP
C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974830	596640860	/nfs/dbraw/zinc/64/08/60/596640860.db2.gz	WOOPLQGJMPNDJA-MZMPZRCHSA-N	2	1	346.431	1.711	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1	ZINC000347127167	143285686	/nfs/dbraw/zinc/28/56/86/143285686.db2.gz	YRGDAVYWEKOQJC-BYPUDFOVSA-N	2	1	332.404	1.395	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000343999258	444718857	/nfs/dbraw/zinc/71/88/57/444718857.db2.gz	FPUXTXHHRMUIQD-HIFRSBDPSA-N	2	1	334.420	1.833	20	5		EDBDMP
C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc([N+](=O)[O-])c1	ZINC000343999258	444718860	/nfs/dbraw/zinc/71/88/60/444718860.db2.gz	FPUXTXHHRMUIQD-HIFRSBDPSA-N	2	1	334.420	1.833	20	5		EDBDMP
Cc1ccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)cc1[N+](=O)[O-]	ZINC000362672378	445490978	/nfs/dbraw/zinc/49/09/78/445490978.db2.gz	MSXDQCPLGFOSOS-OAHLLOKOSA-N	2	1	332.404	1.299	20	5		EDBDMP
CC1([NH3+])CC[NH+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC1	ZINC000592484932	448855860	/nfs/dbraw/zinc/85/58/60/448855860.db2.gz	JJDNVIMIOPAPMJ-UHFFFAOYSA-N	2	1	334.376	1.706	20	5		EDBDMP
CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000522190459	449060879	/nfs/dbraw/zinc/06/08/79/449060879.db2.gz	PFNAEZFEDSLRLD-UHFFFAOYSA-N	2	1	337.424	1.031	20	5		EDBDMP
CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cc([N+](=O)[O-])cn1C	ZINC000522190459	449060885	/nfs/dbraw/zinc/06/08/85/449060885.db2.gz	PFNAEZFEDSLRLD-UHFFFAOYSA-N	2	1	337.424	1.031	20	5		EDBDMP
Cc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000597942773	449152537	/nfs/dbraw/zinc/15/25/37/449152537.db2.gz	OHFLYBPFYDRBDJ-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1[N+](=O)[O-]	ZINC000597942773	449152541	/nfs/dbraw/zinc/15/25/41/449152541.db2.gz	OHFLYBPFYDRBDJ-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974832	596641075	/nfs/dbraw/zinc/64/10/75/596641075.db2.gz	WOOPLQGJMPNDJA-XCRHUMRWSA-N	2	1	346.431	1.711	20	5		EDBDMP
C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000867974832	596641078	/nfs/dbraw/zinc/64/10/78/596641078.db2.gz	WOOPLQGJMPNDJA-XCRHUMRWSA-N	2	1	346.431	1.711	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000261735694	139221832	/nfs/dbraw/zinc/22/18/32/139221832.db2.gz	NFPMJCKUELHQDK-NSHDSACASA-N	2	1	340.811	1.535	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000261735694	139221833	/nfs/dbraw/zinc/22/18/33/139221833.db2.gz	NFPMJCKUELHQDK-NSHDSACASA-N	2	1	340.811	1.535	20	5		EDBDMP
CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C[NH2+]CCN1C	ZINC000423509200	252056960	/nfs/dbraw/zinc/05/69/60/252056960.db2.gz	IXGKWKDBTJCYOL-ZIAGYGMSSA-N	2	1	338.477	1.959	20	5		EDBDMP
CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-]	ZINC000414976126	447381700	/nfs/dbraw/zinc/38/17/00/447381700.db2.gz	NNLIXPCNRQTBSX-OIISXLGYSA-N	2	1	332.448	1.799	20	5		EDBDMP
[NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc([N+](=O)[O-])c4)C3=O)C[C@@H]21	ZINC000342093617	445168635	/nfs/dbraw/zinc/16/86/35/445168635.db2.gz	WRQXORHWDIICFR-ZFVVBOAOSA-N	2	1	344.415	1.759	20	5		EDBDMP
O=C1[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCN1c1cccc([N+](=O)[O-])c1	ZINC000363069739	445666124	/nfs/dbraw/zinc/66/61/24/445666124.db2.gz	YOFJFJNXNJWNCV-WFASDCNBSA-N	2	1	341.371	1.501	20	5		EDBDMP
C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C[C@@H]1C[NH3+]	ZINC000420409697	446582787	/nfs/dbraw/zinc/58/27/87/446582787.db2.gz	QOGNNTOFULVPSX-OLZOCXBDSA-N	2	1	348.403	1.810	20	5		EDBDMP
CC[NH2+]CC1CC[NH+](CC(=O)N2CCc3ccc([N+](=O)[O-])cc32)CC1	ZINC000430553252	447776915	/nfs/dbraw/zinc/77/69/15/447776915.db2.gz	OFAPRAPGKOFYSG-UHFFFAOYSA-N	2	1	346.431	1.805	20	5		EDBDMP
O=[N+]([O-])c1cccc(OC[C@H](O)C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1	ZINC000582482565	448249910	/nfs/dbraw/zinc/24/99/10/448249910.db2.gz	JFCPFMUUHZFFAW-DGCLKSJQSA-N	2	1	332.360	1.205	20	5		EDBDMP
C[NH+](C)CCC[N@H+](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000596423853	449495235	/nfs/dbraw/zinc/49/52/35/449495235.db2.gz	DGLCBXPJJGJCGU-UHFFFAOYSA-N	2	1	348.407	1.539	20	5		EDBDMP
C[NH+](C)CCC[N@@H+](C)CCNc1cc2nc[nH]c(=O)c2cc1[N+](=O)[O-]	ZINC000596423853	449495241	/nfs/dbraw/zinc/49/52/41/449495241.db2.gz	DGLCBXPJJGJCGU-UHFFFAOYSA-N	2	1	348.407	1.539	20	5		EDBDMP
CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000842649969	595157301	/nfs/dbraw/zinc/15/73/01/595157301.db2.gz	WRMFSWCQPDIQMH-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc([N+](=O)[O-])c(F)c2)C1	ZINC000842649969	595157302	/nfs/dbraw/zinc/15/73/02/595157302.db2.gz	WRMFSWCQPDIQMH-CQSZACIVSA-N	2	1	340.355	1.842	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1	ZINC000843072037	595280620	/nfs/dbraw/zinc/28/06/20/595280620.db2.gz	DWWCPQPMQIAHKF-SJORKVTESA-N	2	1	337.420	1.455	20	5		EDBDMP
CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895048	596393866	/nfs/dbraw/zinc/39/38/66/596393866.db2.gz	SKDAEDOQUXMDGZ-RDTXWAMCSA-N	2	1	348.447	1.959	20	5		EDBDMP
CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2cccc([N+](=O)[O-])c2)C1	ZINC000870895048	596393871	/nfs/dbraw/zinc/39/38/71/596393871.db2.gz	SKDAEDOQUXMDGZ-RDTXWAMCSA-N	2	1	348.447	1.959	20	5		EDBDMP
CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728820	597310239	/nfs/dbraw/zinc/31/02/39/597310239.db2.gz	WULAQLBMKSKGDR-GUYCJALGSA-N	2	1	334.420	1.569	20	5		EDBDMP
CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728820	597310242	/nfs/dbraw/zinc/31/02/42/597310242.db2.gz	WULAQLBMKSKGDR-GUYCJALGSA-N	2	1	334.420	1.569	20	5		EDBDMP
C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575779	597638821	/nfs/dbraw/zinc/63/88/21/597638821.db2.gz	OVVBMZDGWFNTHX-UKRRQHHQSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575779	597638825	/nfs/dbraw/zinc/63/88/25/597638825.db2.gz	OVVBMZDGWFNTHX-UKRRQHHQSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575779	597638829	/nfs/dbraw/zinc/63/88/29/597638829.db2.gz	OVVBMZDGWFNTHX-UKRRQHHQSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575779	597638834	/nfs/dbraw/zinc/63/88/34/597638834.db2.gz	OVVBMZDGWFNTHX-UKRRQHHQSA-N	2	1	332.404	1.949	20	5		EDBDMP
O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1	ZINC000129690363	223081516	/nfs/dbraw/zinc/08/15/16/223081516.db2.gz	ZMRSPYHSAQHJLP-HNNXBMFYSA-N	2	1	335.404	1.628	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1	ZINC000246576821	275042015	/nfs/dbraw/zinc/04/20/15/275042015.db2.gz	LRBPKWQQDWQFRV-XKQJLSEDSA-N	2	1	349.435	1.101	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000246576821	275042016	/nfs/dbraw/zinc/04/20/16/275042016.db2.gz	LRBPKWQQDWQFRV-XKQJLSEDSA-N	2	1	349.435	1.101	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000246576821	275042017	/nfs/dbraw/zinc/04/20/17/275042017.db2.gz	LRBPKWQQDWQFRV-XKQJLSEDSA-N	2	1	349.435	1.101	20	5		EDBDMP
CN1CCN(C(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1	ZINC000282987784	443488090	/nfs/dbraw/zinc/48/80/90/443488090.db2.gz	DUOVGMYKCVNJAO-UHFFFAOYSA-N	2	1	346.431	1.723	20	5		EDBDMP
C[NH+]1CCN(C(=O)CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1	ZINC000282987784	443488099	/nfs/dbraw/zinc/48/80/99/443488099.db2.gz	DUOVGMYKCVNJAO-UHFFFAOYSA-N	2	1	346.431	1.723	20	5		EDBDMP
C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093774	443922485	/nfs/dbraw/zinc/92/24/85/443922485.db2.gz	XGNLHINVCPQUSS-WMZOPIPTSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093774	443922491	/nfs/dbraw/zinc/92/24/91/443922491.db2.gz	XGNLHINVCPQUSS-WMZOPIPTSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093774	443922494	/nfs/dbraw/zinc/92/24/94/443922494.db2.gz	XGNLHINVCPQUSS-WMZOPIPTSA-N	2	1	349.431	1.752	20	5		EDBDMP
C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000293093774	443922498	/nfs/dbraw/zinc/92/24/98/443922498.db2.gz	XGNLHINVCPQUSS-WMZOPIPTSA-N	2	1	349.431	1.752	20	5		EDBDMP
COc1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c([N+](=O)[O-])cc1O	ZINC000369346939	446089449	/nfs/dbraw/zinc/08/94/49/446089449.db2.gz	DIEOQEIEZIOQKC-NSHDSACASA-N	2	1	332.360	1.858	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1	ZINC000351502009	446107223	/nfs/dbraw/zinc/10/72/23/446107223.db2.gz	YSPFNIDJISZZAP-FPMFFAJLSA-N	2	1	348.403	1.601	20	5		EDBDMP
C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1[nH]nc2ccc([N+](=O)[O-])cc21	ZINC000582436443	448239688	/nfs/dbraw/zinc/23/96/88/448239688.db2.gz	RFCKRNKWMBQHMW-UHFFFAOYSA-N	2	1	348.407	1.037	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000598680790	449539430	/nfs/dbraw/zinc/53/94/30/449539430.db2.gz	DFHUKKZUVSRZFU-SJCJKPOMSA-N	2	1	348.403	1.745	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1	ZINC000598680790	449539438	/nfs/dbraw/zinc/53/94/38/449539438.db2.gz	DFHUKKZUVSRZFU-SJCJKPOMSA-N	2	1	348.403	1.745	20	5		EDBDMP
C[N@H+](CC1CC[NH+](C)CC1)Cn1cc(Br)c([N+](=O)[O-])n1	ZINC000728905845	578554060	/nfs/dbraw/zinc/55/40/60/578554060.db2.gz	YLPFNRBTGGXNMD-UHFFFAOYSA-N	2	1	346.229	1.785	20	5		EDBDMP
C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc(Br)c([N+](=O)[O-])n1	ZINC000728905845	578554061	/nfs/dbraw/zinc/55/40/61/578554061.db2.gz	YLPFNRBTGGXNMD-UHFFFAOYSA-N	2	1	346.229	1.785	20	5		EDBDMP
C[N@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1(C)C	ZINC000819287661	593748434	/nfs/dbraw/zinc/74/84/34/593748434.db2.gz	QKOLGXUPSFZQAJ-INIZCTEOSA-N	2	1	336.436	1.244	20	5		EDBDMP
O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000863549900	596615264	/nfs/dbraw/zinc/61/52/64/596615264.db2.gz	KVFOBSZQBUEONG-CVEARBPZSA-N	2	1	346.387	1.352	20	5		EDBDMP
C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575777	597638625	/nfs/dbraw/zinc/63/86/25/597638625.db2.gz	OVVBMZDGWFNTHX-DZGCQCFKSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575777	597638630	/nfs/dbraw/zinc/63/86/30/597638630.db2.gz	OVVBMZDGWFNTHX-DZGCQCFKSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575777	597638634	/nfs/dbraw/zinc/63/86/34/597638634.db2.gz	OVVBMZDGWFNTHX-DZGCQCFKSA-N	2	1	332.404	1.949	20	5		EDBDMP
C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3[N+](=O)[O-])CC[C@H]21	ZINC000879575777	597638636	/nfs/dbraw/zinc/63/86/36/597638636.db2.gz	OVVBMZDGWFNTHX-DZGCQCFKSA-N	2	1	332.404	1.949	20	5		EDBDMP
COC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-]	ZINC000262007872	139243548	/nfs/dbraw/zinc/24/35/48/139243548.db2.gz	UUFMRWIYDBOPCR-MELADBBJSA-N	2	1	349.387	1.316	20	5		EDBDMP
COC(=O)COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-]	ZINC000262007872	139243549	/nfs/dbraw/zinc/24/35/49/139243549.db2.gz	UUFMRWIYDBOPCR-MELADBBJSA-N	2	1	349.387	1.316	20	5		EDBDMP
C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(=O)N1CC[NH+](C)CC1	ZINC000344793691	445143296	/nfs/dbraw/zinc/14/32/96/445143296.db2.gz	OVLGCALQMWYVLG-QINSGFPZSA-N	2	1	346.431	1.752	20	5		EDBDMP
COc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1	ZINC000351863737	445347344	/nfs/dbraw/zinc/34/73/44/445347344.db2.gz	UUFQZSMHOGMAHN-NEPJUHHUSA-N	2	1	336.392	1.601	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1	ZINC000351474417	446075141	/nfs/dbraw/zinc/07/51/41/446075141.db2.gz	GAJYKDMYMMIHIA-QEJZJMRPSA-N	2	1	332.404	1.901	20	5		EDBDMP
O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1[N+](=O)[O-]	ZINC000420381046	446556990	/nfs/dbraw/zinc/55/69/90/446556990.db2.gz	RQQOKDIINLZBMY-KRWDZBQOSA-N	2	1	332.404	1.999	20	5		EDBDMP
C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCc1c[nH+]cn1C	ZINC000530407385	447878770	/nfs/dbraw/zinc/87/87/70/447878770.db2.gz	DWLIZKUKFVBDAW-LBPRGKRZSA-N	2	1	331.376	1.878	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc([N+](=O)[O-])c(C(N)=O)c1	ZINC000596363653	449482800	/nfs/dbraw/zinc/48/28/00/449482800.db2.gz	UNYVACVPCUGVLP-LBPRGKRZSA-N	2	1	337.424	1.378	20	5		EDBDMP
O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000601333119	449840944	/nfs/dbraw/zinc/84/09/44/449840944.db2.gz	AKTIZQZQEQAKII-CJNGLKHVSA-N	2	1	332.404	1.997	20	5		EDBDMP
O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000601333119	449840948	/nfs/dbraw/zinc/84/09/48/449840948.db2.gz	AKTIZQZQEQAKII-CJNGLKHVSA-N	2	1	332.404	1.997	20	5		EDBDMP
CN(C(=O)c1ccc([N+](=O)[O-])[nH]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1	ZINC000609559656	450051072	/nfs/dbraw/zinc/05/10/72/450051072.db2.gz	MBJAXDVNPISMQE-ZDUSSCGKSA-N	2	1	335.408	1.163	20	5		EDBDMP
O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1	ZINC000843073744	595281335	/nfs/dbraw/zinc/28/13/35/595281335.db2.gz	UNPFBBOCLCMYEO-IAGOWNOFSA-N	2	1	337.420	1.455	20	5		EDBDMP
C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@@H+]1C	ZINC000867947054	596629436	/nfs/dbraw/zinc/62/94/36/596629436.db2.gz	YAERLDNEXKUQAQ-MRRJBJDNSA-N	2	1	334.420	1.710	20	5		EDBDMP
C[C@@H]1C[C@H](N(C)C(=O)[C@@](C)([NH3+])c2cccc([N+](=O)[O-])c2)CC[N@H+]1C	ZINC000867947054	596629437	/nfs/dbraw/zinc/62/94/37/596629437.db2.gz	YAERLDNEXKUQAQ-MRRJBJDNSA-N	2	1	334.420	1.710	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000873193388	597223395	/nfs/dbraw/zinc/22/33/95/597223395.db2.gz	OOFDFEDXOUOJNG-MWQQHZPXSA-N	2	1	335.404	1.206	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1	ZINC000873193388	597223398	/nfs/dbraw/zinc/22/33/98/597223398.db2.gz	OOFDFEDXOUOJNG-MWQQHZPXSA-N	2	1	335.404	1.206	20	5		EDBDMP
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1	ZINC000873193388	597223400	/nfs/dbraw/zinc/22/34/00/597223400.db2.gz	OOFDFEDXOUOJNG-MWQQHZPXSA-N	2	1	335.404	1.206	20	5		EDBDMP
CC[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@@H+]2CC)ncc1[N+](=O)[O-]	ZINC000882958853	598116552	/nfs/dbraw/zinc/11/65/52/598116552.db2.gz	MLGGDGYQXLJQBM-STQMWFEESA-N	2	1	349.439	1.397	20	5		EDBDMP
CC[NH+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+]2CC)n1	ZINC000882958853	598116554	/nfs/dbraw/zinc/11/65/54/598116554.db2.gz	MLGGDGYQXLJQBM-STQMWFEESA-N	2	1	349.439	1.397	20	5		EDBDMP
CC[NH+]1CC[C@H]1CNc1ncc([N+](=O)[O-])c(NC[C@@H]2CC[N@H+]2CC)n1	ZINC000882958853	598116555	/nfs/dbraw/zinc/11/65/55/598116555.db2.gz	MLGGDGYQXLJQBM-STQMWFEESA-N	2	1	349.439	1.397	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+]	ZINC000262057791	139247355	/nfs/dbraw/zinc/24/73/55/139247355.db2.gz	QUUUFXRGEGPKON-MRXNPFEDSA-N	2	1	334.420	1.723	20	5		EDBDMP
[NH3+]CCNC(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1	ZINC000347127179	143285544	/nfs/dbraw/zinc/28/55/44/143285544.db2.gz	YRGDAVYWEKOQJC-VFQAQYNWSA-N	2	1	332.404	1.395	20	5		EDBDMP
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358494935	151393892	/nfs/dbraw/zinc/39/38/92/151393892.db2.gz	GPPXSKGCVYHOTF-UHFFFAOYSA-N	2	1	332.404	1.917	20	5		EDBDMP
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2	ZINC000358494935	151393894	/nfs/dbraw/zinc/39/38/94/151393894.db2.gz	GPPXSKGCVYHOTF-UHFFFAOYSA-N	2	1	332.404	1.917	20	5		EDBDMP
C[C@@H]1C[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)CC[C@H]1[NH3+]	ZINC000430957612	305070709	/nfs/dbraw/zinc/07/07/09/305070709.db2.gz	TUYZXOZIWQLZJX-DGCLKSJQSA-N	2	1	334.376	1.562	20	5		EDBDMP
C[NH+]1CCC(CNc2ncc([N+](=O)[O-])c(N)n2)(N2CCCCC2)CC1	ZINC000078457687	441933277	/nfs/dbraw/zinc/93/32/77/441933277.db2.gz	ZOZKCYDIIAQOOX-UHFFFAOYSA-N	2	1	349.439	1.329	20	5		EDBDMP
C[N@H+]1CCC[C@@]2(CCN(Cc3ccc(C(N)=O)cc3[N+](=O)[O-])C2)C1	ZINC000292866283	443864625	/nfs/dbraw/zinc/86/46/25/443864625.db2.gz	CTFWYVMKHKHKFZ-QGZVFWFLSA-N	2	1	332.404	1.611	20	5		EDBDMP
CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000342361269	444654897	/nfs/dbraw/zinc/65/48/97/444654897.db2.gz	SLOFWKRIENOWPJ-HNNXBMFYSA-N	2	1	337.420	1.751	20	5		EDBDMP
CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2[N+](=O)[O-])CC1	ZINC000342361269	444654902	/nfs/dbraw/zinc/65/49/02/444654902.db2.gz	SLOFWKRIENOWPJ-HNNXBMFYSA-N	2	1	337.420	1.751	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000357094079	445424406	/nfs/dbraw/zinc/42/44/06/445424406.db2.gz	YBEYWVKUXZCSSL-ZIAGYGMSSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1	ZINC000357094079	445424411	/nfs/dbraw/zinc/42/44/11/445424411.db2.gz	YBEYWVKUXZCSSL-ZIAGYGMSSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cn1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000359463858	446239240	/nfs/dbraw/zinc/23/92/40/446239240.db2.gz	ZZMVKWWIKCMBFX-ZIAGYGMSSA-N	2	1	327.388	1.647	20	5		EDBDMP
[NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCOCC2	ZINC000420328881	446497331	/nfs/dbraw/zinc/49/73/31/446497331.db2.gz	NGZGSZKOIBFTHJ-AWEZNQCLSA-N	2	1	335.404	1.661	20	5		EDBDMP
[NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)nn1	ZINC000420368986	446548900	/nfs/dbraw/zinc/54/89/00/446548900.db2.gz	BBQAXPWKKCGRKJ-OAHLLOKOSA-N	2	1	346.391	1.361	20	5		EDBDMP
C[NH2+]CCC[N@H+]1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000420369413	446549549	/nfs/dbraw/zinc/54/95/49/446549549.db2.gz	IXVWDMPDCHKNCF-UHFFFAOYSA-N	2	1	332.408	1.593	20	5		EDBDMP
[NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000423032319	447794749	/nfs/dbraw/zinc/79/47/49/447794749.db2.gz	FHUGSGAHHCYPIW-RISCZKNCSA-N	2	1	327.406	1.086	20	5		EDBDMP
CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728818	597309800	/nfs/dbraw/zinc/30/98/00/597309800.db2.gz	WULAQLBMKSKGDR-CXAGYDPISA-N	2	1	334.420	1.569	20	5		EDBDMP
CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1	ZINC000876728818	597309804	/nfs/dbraw/zinc/30/98/04/597309804.db2.gz	WULAQLBMKSKGDR-CXAGYDPISA-N	2	1	334.420	1.569	20	5		EDBDMP
[NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CCc1ccc([N+](=O)[O-])cc1	ZINC000436064290	305151978	/nfs/dbraw/zinc/15/19/78/305151978.db2.gz	MRUQWUZAMIPYOP-MRXNPFEDSA-N	2	1	334.420	1.457	20	5		EDBDMP
COc1ccc(NC(=O)CC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000193610689	442759393	/nfs/dbraw/zinc/75/93/93/442759393.db2.gz	XNOIMUPKAASJTM-BETUJISGSA-N	2	1	348.403	1.425	20	5		EDBDMP
COc1ccc(NC(=O)CC[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000193610689	442759395	/nfs/dbraw/zinc/75/93/95/442759395.db2.gz	XNOIMUPKAASJTM-BETUJISGSA-N	2	1	348.403	1.425	20	5		EDBDMP
COc1ccc(NC(=O)CC[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1	ZINC000193610689	442759397	/nfs/dbraw/zinc/75/93/97/442759397.db2.gz	XNOIMUPKAASJTM-BETUJISGSA-N	2	1	348.403	1.425	20	5		EDBDMP
CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc([N+](=O)[O-])c[nH]1	ZINC000337579686	445148866	/nfs/dbraw/zinc/14/88/66/445148866.db2.gz	MOGLYAIVOCTGKS-CYBMUJFWSA-N	2	1	337.424	1.411	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000357094077	445424880	/nfs/dbraw/zinc/42/48/80/445424880.db2.gz	YBEYWVKUXZCSSL-UONOGXRCSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1	ZINC000357094077	445424883	/nfs/dbraw/zinc/42/48/83/445424883.db2.gz	YBEYWVKUXZCSSL-UONOGXRCSA-N	2	1	332.404	1.773	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000359294796	446129333	/nfs/dbraw/zinc/12/93/33/446129333.db2.gz	ATGIKECWCHSDRV-TXEJJXNPSA-N	2	1	332.360	1.044	20	5		EDBDMP
O=c1oc2ccc([N+](=O)[O-])cc2n1CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1	ZINC000359294796	446129339	/nfs/dbraw/zinc/12/93/39/446129339.db2.gz	ATGIKECWCHSDRV-TXEJJXNPSA-N	2	1	332.360	1.044	20	5		EDBDMP
[NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C2)nn1	ZINC000420385524	446560433	/nfs/dbraw/zinc/56/04/33/446560433.db2.gz	SYSFLFMLASXWAD-MRXNPFEDSA-N	2	1	330.392	1.525	20	5		EDBDMP
C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)C1	ZINC000578950050	448674087	/nfs/dbraw/zinc/67/40/87/448674087.db2.gz	QCJNQOXNRQVISS-IJEWVQPXSA-N	2	1	339.440	1.110	20	5		EDBDMP
O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000601333121	449841547	/nfs/dbraw/zinc/84/15/47/449841547.db2.gz	AKTIZQZQEQAKII-XJKSGUPXSA-N	2	1	332.404	1.997	20	5		EDBDMP
O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc([N+](=O)[O-])cc1	ZINC000601333121	449841551	/nfs/dbraw/zinc/84/15/51/449841551.db2.gz	AKTIZQZQEQAKII-XJKSGUPXSA-N	2	1	332.404	1.997	20	5		EDBDMP
COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](Cc1cccc([N+](=O)[O-])c1C)C2	ZINC000903491849	592184888	/nfs/dbraw/zinc/18/48/88/592184888.db2.gz	CZYSGNSQDCNTTR-VBQJREDUSA-N	2	1	333.388	1.616	20	5		EDBDMP
COc1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-]	ZINC000415119964	304161211	/nfs/dbraw/zinc/16/12/11/304161211.db2.gz	FOVTZQVTFYCGQE-CQSZACIVSA-N	2	1	346.391	1.491	20	5		EDBDMP
COc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1[N+](=O)[O-]	ZINC000415119964	304161213	/nfs/dbraw/zinc/16/12/13/304161213.db2.gz	FOVTZQVTFYCGQE-CQSZACIVSA-N	2	1	346.391	1.491	20	5		EDBDMP
O=C([C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1)N1CC[NH2+]CC1	ZINC000430653186	305061492	/nfs/dbraw/zinc/06/14/92/305061492.db2.gz	OGWCVYQUVYGYJG-INIZCTEOSA-N	2	1	346.431	1.281	20	5		EDBDMP
C[NH2+]C[C@@H]1CC[N@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430925473	305068509	/nfs/dbraw/zinc/06/85/09/305068509.db2.gz	LTGSDDBZASGQAO-LBPRGKRZSA-N	2	1	334.376	1.434	20	5		EDBDMP
C[NH2+]C[C@@H]1CC[N@@H+](CCCn2c3cc([N+](=O)[O-])ccc3oc2=O)C1	ZINC000430925473	305068510	/nfs/dbraw/zinc/06/85/10/305068510.db2.gz	LTGSDDBZASGQAO-LBPRGKRZSA-N	2	1	334.376	1.434	20	5		EDBDMP
COCC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1	ZINC000447526178	305281405	/nfs/dbraw/zinc/28/14/05/305281405.db2.gz	BUFVXWXIYQPLNR-GJZGRUSLSA-N	2	1	339.440	1.833	20	5		EDBDMP
CN(CCC[N@@H+](C)CCn1cc([N+](=O)[O-])ccc1=O)Cc1ccco1	ZINC000285518935	444014053	/nfs/dbraw/zinc/01/40/53/444014053.db2.gz	DUZDZFSEHLMFHV-UHFFFAOYSA-N	2	1	348.403	1.803	20	5		EDBDMP
CN(CCC[N@H+](C)Cc1ccco1)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000285518935	444014058	/nfs/dbraw/zinc/01/40/58/444014058.db2.gz	DUZDZFSEHLMFHV-UHFFFAOYSA-N	2	1	348.403	1.803	20	5		EDBDMP
CN(CCC[N@@H+](C)Cc1ccco1)CCn1cc([N+](=O)[O-])ccc1=O	ZINC000285518935	444014063	/nfs/dbraw/zinc/01/40/63/444014063.db2.gz	DUZDZFSEHLMFHV-UHFFFAOYSA-N	2	1	348.403	1.803	20	5		EDBDMP
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1	ZINC000420341802	446513157	/nfs/dbraw/zinc/51/31/57/446513157.db2.gz	QHCFJODAGLGRCS-OKILXGFUSA-N	2	1	332.404	1.773	20	5		EDBDMP
Cc1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000597942297	449152659	/nfs/dbraw/zinc/15/26/59/449152659.db2.gz	LGCIFDVYQMPSJQ-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
Cc1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1[N+](=O)[O-]	ZINC000597942297	449152660	/nfs/dbraw/zinc/15/26/60/449152660.db2.gz	LGCIFDVYQMPSJQ-AWEZNQCLSA-N	2	1	336.436	1.905	20	5		EDBDMP
CCO[C@@H]1C[N@@H+](CCC(=O)Nc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+]	ZINC000593737347	449171868	/nfs/dbraw/zinc/17/18/68/449171868.db2.gz	YANGWWQNKCUIGW-IUODEOHRSA-N	2	1	336.392	1.219	20	5		EDBDMP
[NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C2	ZINC000593735017	449169474	/nfs/dbraw/zinc/16/94/74/449169474.db2.gz	UJYWTPDGNVPETL-GUYCJALGSA-N	2	1	332.404	1.984	20	5		EDBDMP
C[NH2+]CCOCC[N@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000600775453	449543009	/nfs/dbraw/zinc/54/30/09/449543009.db2.gz	NXNBMRFQEXAYHZ-UHFFFAOYSA-N	2	1	325.365	1.034	20	5		EDBDMP
C[NH2+]CCOCC[N@@H+](C)Cc1cc2c(cc1[N+](=O)[O-])OCCO2	ZINC000600775453	449543016	/nfs/dbraw/zinc/54/30/16/449543016.db2.gz	NXNBMRFQEXAYHZ-UHFFFAOYSA-N	2	1	325.365	1.034	20	5		EDBDMP
C[N@@H+]1CCN(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C	ZINC000602658385	449735805	/nfs/dbraw/zinc/73/58/05/449735805.db2.gz	VSZGUACYVQOEBF-UHFFFAOYSA-N	2	1	347.419	1.852	20	5		EDBDMP
C[N@H+]1CCN(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1(C)C	ZINC000602658385	449735810	/nfs/dbraw/zinc/73/58/10/449735810.db2.gz	VSZGUACYVQOEBF-UHFFFAOYSA-N	2	1	347.419	1.852	20	5		EDBDMP
Cc1ccnc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1[N+](=O)[O-]	ZINC000905701180	592614980	/nfs/dbraw/zinc/61/49/80/592614980.db2.gz	WFSRUZFKFDUNOY-GASCZTMLSA-N	2	1	331.420	1.703	20	5		EDBDMP
Nc1ccc(N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c([N+](=O)[O-])c1	ZINC000905703027	592616487	/nfs/dbraw/zinc/61/64/87/592616487.db2.gz	JYCPPKPZTGWSJA-GASCZTMLSA-N	2	1	331.420	1.582	20	5		EDBDMP
C[N@@H+](CC(=O)N1CCc2ccc([N+](=O)[O-])cc21)C1CCC([NH3+])CC1	ZINC000843354701	595085761	/nfs/dbraw/zinc/08/57/61/595085761.db2.gz	CXIOQNJFGJZLJI-UHFFFAOYSA-N	2	1	332.404	1.686	20	5		EDBDMP
O=[N+]([O-])c1cnn(C2CC([NH2+]CCCC[N@@H+]3CCC[C@H]3CO)C2)c1	ZINC000877040172	597419729	/nfs/dbraw/zinc/41/97/29/597419729.db2.gz	AOZVUDQEWKIYDX-SLTAFYQDSA-N	2	1	337.424	1.321	20	5		EDBDMP
CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1	ZINC000246296876	139103075	/nfs/dbraw/zinc/10/30/75/139103075.db2.gz	PJQBVGRRZQOHBH-ZWKOTPCHSA-N	2	1	348.447	1.340	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)c1	ZINC000246576830	139113606	/nfs/dbraw/zinc/11/36/06/139113606.db2.gz	LRBPKWQQDWQFRV-XYPHTWIQSA-N	2	1	349.435	1.101	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1	ZINC000246576830	139113607	/nfs/dbraw/zinc/11/36/07/139113607.db2.gz	LRBPKWQQDWQFRV-XYPHTWIQSA-N	2	1	349.435	1.101	20	5		EDBDMP
O=[N+]([O-])c1cnn(C[C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1	ZINC000246576830	139113608	/nfs/dbraw/zinc/11/36/08/139113608.db2.gz	LRBPKWQQDWQFRV-XYPHTWIQSA-N	2	1	349.435	1.101	20	5		EDBDMP
C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264921	289301616	/nfs/dbraw/zinc/30/16/16/289301616.db2.gz	ZBBSGHLNYYKIIF-DOTOQJQBSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264921	289301620	/nfs/dbraw/zinc/30/16/20/289301620.db2.gz	ZBBSGHLNYYKIIF-DOTOQJQBSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)COc3cccc([N+](=O)[O-])c3)C2)C1	ZINC000292264921	289301623	/nfs/dbraw/zinc/30/16/23/289301623.db2.gz	ZBBSGHLNYYKIIF-DOTOQJQBSA-N	2	1	335.404	1.362	20	5		EDBDMP
C[N@@H+](CCCn1c2cc([N+](=O)[O-])ccc2oc1=O)[C@@H]1CCC[NH2+]CC1	ZINC000435620303	305143686	/nfs/dbraw/zinc/14/36/86/305143686.db2.gz	AYLAEYHMZUQSBU-CYBMUJFWSA-N	2	1	348.403	1.967	20	5		EDBDMP
COc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C1CC1	ZINC000420297033	446459512	/nfs/dbraw/zinc/45/95/12/446459512.db2.gz	YEYOTIZCBUPGDH-MRXNPFEDSA-N	2	1	336.392	1.649	20	5		EDBDMP
[NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2[N+](=O)[O-])CC12CCOCC2	ZINC000420328882	446497889	/nfs/dbraw/zinc/49/78/89/446497889.db2.gz	NGZGSZKOIBFTHJ-CQSZACIVSA-N	2	1	335.404	1.661	20	5		EDBDMP
CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc([N+](=O)[O-])cn1	ZINC000532392004	448250886	/nfs/dbraw/zinc/25/08/86/448250886.db2.gz	VPTWJPFPFTYOKK-HNNXBMFYSA-N	2	1	349.435	1.478	20	5		EDBDMP
[NH3+][C@H]1CCC[C@@H]([NH2+]CCS(=O)(=O)c2ccc([N+](=O)[O-])cc2)C1	ZINC000518999478	448732877	/nfs/dbraw/zinc/73/28/77/448732877.db2.gz	CIWMYVSJEVBSTO-NWDGAFQWSA-N	2	1	327.406	1.228	20	5		EDBDMP
NC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c([N+](=O)[O-])c1	ZINC000592493532	448862159	/nfs/dbraw/zinc/86/21/59/448862159.db2.gz	UKNJUMVAABFSBL-HUUCEWRRSA-N	2	1	346.431	1.905	20	5		EDBDMP
C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000596449393	449508142	/nfs/dbraw/zinc/50/81/42/449508142.db2.gz	HSHCGADCDDDYHY-ZDUSSCGKSA-N	2	1	337.424	1.988	20	5		EDBDMP
C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000596449393	449508150	/nfs/dbraw/zinc/50/81/50/449508150.db2.gz	HSHCGADCDDDYHY-ZDUSSCGKSA-N	2	1	337.424	1.988	20	5		EDBDMP