smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1nc(CN2CCCC23CCN(c2ncc([N+](=O)[O-])c(C4C[NH2+]C4)n2)CC3)cs1	ZINC001164702573	719817019	/nfs/dbraw/zinc/81/70/19/719817019.db2.gz	RXTMNNSLRXJTSK-UHFFFAOYSA-N	1	1	429.550	2.472	20	5		IEBDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1nc(Cl)nc(Cl)c1[N+](=O)[O-])CCC2	ZINC001164814081	720217872	/nfs/dbraw/zinc/21/78/72/720217872.db2.gz	SGYWREZVORNFAZ-UHFFFAOYSA-N	1	1	442.307	2.499	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721700	720336688	/nfs/dbraw/zinc/33/66/88/720336688.db2.gz	DAZUKTBNPQFEDC-KGLIPLIRSA-N	1	1	432.868	2.463	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721700	720336693	/nfs/dbraw/zinc/33/66/93/720336693.db2.gz	DAZUKTBNPQFEDC-KGLIPLIRSA-N	1	1	432.868	2.463	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164838254	720647583	/nfs/dbraw/zinc/64/75/83/720647583.db2.gz	GTXFXPLYPVQXTP-JFIYKMOQSA-N	1	1	428.493	2.351	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737103	720667285	/nfs/dbraw/zinc/66/72/85/720667285.db2.gz	DIAWNDOLILVHCO-OLZOCXBDSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737103	720667293	/nfs/dbraw/zinc/66/72/93/720667293.db2.gz	DIAWNDOLILVHCO-OLZOCXBDSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737104	720667392	/nfs/dbraw/zinc/66/73/92/720667392.db2.gz	DIAWNDOLILVHCO-QWHCGFSZSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737104	720667404	/nfs/dbraw/zinc/66/74/04/720667404.db2.gz	DIAWNDOLILVHCO-QWHCGFSZSA-N	1	1	426.811	2.320	20	5		IEBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738689	720739088	/nfs/dbraw/zinc/73/90/88/720739088.db2.gz	GWAWZRNTUARPJV-ZWKOTPCHSA-N	1	1	433.472	2.492	20	5		IEBDMO
CCOc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744702	720840475	/nfs/dbraw/zinc/84/04/75/720840475.db2.gz	LEUCEHNERLIKSR-FGTMMUONSA-N	1	1	427.509	2.359	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890561	721388455	/nfs/dbraw/zinc/38/84/55/721388455.db2.gz	OGXHCGJMKVODQN-AVRDEDQJSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886814	721392853	/nfs/dbraw/zinc/39/28/53/721392853.db2.gz	GJVJEMUVBZYAAZ-XMSQKQJNSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886733	721397119	/nfs/dbraw/zinc/39/71/19/721397119.db2.gz	FYXLEWGSHPPNOY-SCLBCKFNSA-N	1	1	445.351	2.457	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1	ZINC001164966039	722062357	/nfs/dbraw/zinc/06/23/57/722062357.db2.gz	NRUWHXXYQCQCPM-UHFFFAOYSA-N	1	1	441.488	2.290	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980890	722129469	/nfs/dbraw/zinc/12/94/69/722129469.db2.gz	NIBMJYXDZZVTDQ-YLJYHZDGSA-N	1	1	441.488	2.289	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164973878	722152186	/nfs/dbraw/zinc/15/21/86/722152186.db2.gz	NHUPLIGVZMAQDH-MJGOQNOKSA-N	1	1	441.488	2.289	20	5		IEBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164709685	720094695	/nfs/dbraw/zinc/09/46/95/720094695.db2.gz	CFQNNNSBUHUWNW-QGZVFWFLSA-N	1	1	428.493	2.296	20	5		IEBDMO
COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834616	720556375	/nfs/dbraw/zinc/55/63/75/720556375.db2.gz	FEYVKUBNFRAPAO-LZLYRXPVSA-N	1	1	428.493	2.351	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl	ZINC001164740283	720618785	/nfs/dbraw/zinc/61/87/85/720618785.db2.gz	IJYBOMFJBHENGW-STQMWFEESA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl	ZINC001164740283	720618801	/nfs/dbraw/zinc/61/88/01/720618801.db2.gz	IJYBOMFJBHENGW-STQMWFEESA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164738231	720654170	/nfs/dbraw/zinc/65/41/70/720654170.db2.gz	AZIJOEHFQYHRKY-NWDGAFQWSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164738231	720654179	/nfs/dbraw/zinc/65/41/79/720654179.db2.gz	AZIJOEHFQYHRKY-NWDGAFQWSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164738872	720662390	/nfs/dbraw/zinc/66/23/90/720662390.db2.gz	LEOUZYDZZLLJNY-UONOGXRCSA-N	1	1	427.852	2.323	20	5		IEBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164738873	720663023	/nfs/dbraw/zinc/66/30/23/720663023.db2.gz	LEOUZYDZZLLJNY-ZIAGYGMSSA-N	1	1	427.852	2.323	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737102	720668613	/nfs/dbraw/zinc/66/86/13/720668613.db2.gz	DIAWNDOLILVHCO-CHWSQXEVSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164737102	720668633	/nfs/dbraw/zinc/66/86/33/720668633.db2.gz	DIAWNDOLILVHCO-CHWSQXEVSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1F	ZINC001164745427	720794106	/nfs/dbraw/zinc/79/41/06/720794106.db2.gz	KIMKJYDZPSTDFP-HZPDHXFCSA-N	1	1	437.435	2.323	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164750471	720804917	/nfs/dbraw/zinc/80/49/17/720804917.db2.gz	VVGFKTJJRHBKEH-KGLIPLIRSA-N	1	1	427.852	2.323	20	5		IEBDMO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164755285	720870340	/nfs/dbraw/zinc/87/03/40/720870340.db2.gz	VSEASDZPRMCJMO-NFBKMPQASA-N	1	1	439.516	2.378	20	5		IEBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164856655	720884874	/nfs/dbraw/zinc/88/48/74/720884874.db2.gz	IWMZSPVRTIMOPX-UZLBHIALSA-N	1	1	431.468	2.364	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164875338	721175163	/nfs/dbraw/zinc/17/51/63/721175163.db2.gz	KXCVMXPZZGXBRJ-IRXDYDNUSA-N	1	1	427.461	2.041	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886732	721397575	/nfs/dbraw/zinc/39/75/75/721397575.db2.gz	FYXLEWGSHPPNOY-FZKQIMNGSA-N	1	1	445.351	2.457	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889414	721405901	/nfs/dbraw/zinc/40/59/01/721405901.db2.gz	QFVFWADGJSJTKS-PGRDOPGGSA-N	1	1	426.521	2.303	20	5		IEBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164789359	721463156	/nfs/dbraw/zinc/46/31/56/721463156.db2.gz	XGYIRCAQUUIGHS-LJQANCHMSA-N	1	1	434.537	2.271	20	5		IEBDMO
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21	ZINC001164913493	721799217	/nfs/dbraw/zinc/79/92/17/721799217.db2.gz	DTZGVDLYRKQHLU-JOCHJYFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21	ZINC001164913493	721799220	/nfs/dbraw/zinc/79/92/20/721799220.db2.gz	DTZGVDLYRKQHLU-JOCHJYFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)C[C@@H]21	ZINC001164948660	721955446	/nfs/dbraw/zinc/95/54/46/721955446.db2.gz	SJYIEOAIJHETMV-MNVMYWNISA-N	1	1	428.493	2.217	20	5		IEBDMO
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn3)C[C@H]21	ZINC001164948658	721955466	/nfs/dbraw/zinc/95/54/66/721955466.db2.gz	SJYIEOAIJHETMV-BGEOSOQGSA-N	1	1	428.493	2.217	20	5		IEBDMO
COc1cc2[nH+]c(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc(N)c2cc1OC	ZINC000028389644	563054363	/nfs/dbraw/zinc/05/43/63/563054363.db2.gz	HNRYLULPSRAARA-UHFFFAOYSA-N	1	1	438.444	2.100	20	5		IEBDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)CC2	ZINC001164689547	719751149	/nfs/dbraw/zinc/75/11/49/719751149.db2.gz	HLGCGMWYADNXLW-UHFFFAOYSA-N	1	1	428.468	2.372	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164719752	720227086	/nfs/dbraw/zinc/22/70/86/720227086.db2.gz	TYDBWDGRNXHBJZ-JOCHJYFZSA-N	1	1	427.505	2.116	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164719752	720227106	/nfs/dbraw/zinc/22/71/06/720227106.db2.gz	TYDBWDGRNXHBJZ-JOCHJYFZSA-N	1	1	427.505	2.116	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1	ZINC001164720753	720287009	/nfs/dbraw/zinc/28/70/09/720287009.db2.gz	CXQNBTHOOBOATM-OAQYLSRUSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1	ZINC001164720753	720287014	/nfs/dbraw/zinc/28/70/14/720287014.db2.gz	CXQNBTHOOBOATM-OAQYLSRUSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1	ZINC001164720752	720288396	/nfs/dbraw/zinc/28/83/96/720288396.db2.gz	CXQNBTHOOBOATM-NRFANRHFSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C2)C1	ZINC001164720752	720288404	/nfs/dbraw/zinc/28/84/04/720288404.db2.gz	CXQNBTHOOBOATM-NRFANRHFSA-N	1	1	447.923	2.461	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721698	720335903	/nfs/dbraw/zinc/33/59/03/720335903.db2.gz	DAZUKTBNPQFEDC-KBPBESRZSA-N	1	1	432.868	2.463	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721698	720335906	/nfs/dbraw/zinc/33/59/06/720335906.db2.gz	DAZUKTBNPQFEDC-KBPBESRZSA-N	1	1	432.868	2.463	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl	ZINC001164740281	720618311	/nfs/dbraw/zinc/61/83/11/720618311.db2.gz	IJYBOMFJBHENGW-OLZOCXBDSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl	ZINC001164740281	720618322	/nfs/dbraw/zinc/61/83/22/720618322.db2.gz	IJYBOMFJBHENGW-OLZOCXBDSA-N	1	1	426.811	2.320	20	5		IEBDMO
COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738150	720825745	/nfs/dbraw/zinc/82/57/45/720825745.db2.gz	DWCHAVYLSKDCPE-FGTMMUONSA-N	1	1	427.509	2.278	20	5		IEBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164856653	720884603	/nfs/dbraw/zinc/88/46/03/720884603.db2.gz	IWMZSPVRTIMOPX-OXQOHEQNSA-N	1	1	431.468	2.364	20	5		IEBDMO
COC(=O)c1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@H]2C)c1[N+](=O)[O-]	ZINC001164859200	720937653	/nfs/dbraw/zinc/93/76/53/720937653.db2.gz	LCKYMRFLHAVQRS-LLVKDONJSA-N	1	1	437.888	2.443	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)c(Cl)cc3[N+](=O)[O-])CC2)C1	ZINC001164869837	721267830	/nfs/dbraw/zinc/26/78/30/721267830.db2.gz	PQBDOAZUOXKWHA-UHFFFAOYSA-N	1	1	446.335	2.304	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164904763	721565704	/nfs/dbraw/zinc/56/57/04/721565704.db2.gz	FQAGEXKFDPUDCP-NVXWUHKLSA-N	1	1	430.440	2.133	20	5		IEBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)n1	ZINC001165007453	721732108	/nfs/dbraw/zinc/73/21/08/721732108.db2.gz	CXQWUDQBSHIOCY-UHFFFAOYSA-N	1	1	428.946	2.283	20	5		IEBDMO
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1	ZINC001164912129	721738528	/nfs/dbraw/zinc/73/85/28/721738528.db2.gz	MBCXKCORXWGGJI-HXUWFJFHSA-N	1	1	445.474	2.204	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164959477	722052831	/nfs/dbraw/zinc/05/28/31/722052831.db2.gz	KUCRNJYAEOPVSP-UHFFFAOYSA-N	1	1	441.488	2.290	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1[N+](=O)[O-]	ZINC001164973873	722151576	/nfs/dbraw/zinc/15/15/76/722151576.db2.gz	NHUPLIGVZMAQDH-HKUYNNGSSA-N	1	1	441.488	2.289	20	5		IEBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCC2(CCC[N@H+]2CC(=O)NC)CC1	ZINC001164682212	719703361	/nfs/dbraw/zinc/70/33/61/719703361.db2.gz	CMMWSMKDQHGIAF-UHFFFAOYSA-N	1	1	439.900	2.001	20	5		IEBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164709683	720094103	/nfs/dbraw/zinc/09/41/03/720094103.db2.gz	CFQNNNSBUHUWNW-KRWDZBQOSA-N	1	1	428.493	2.296	20	5		IEBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164719539	720129121	/nfs/dbraw/zinc/12/91/21/720129121.db2.gz	YRWKKXGJRCIGFA-LJQANCHMSA-N	1	1	427.505	2.439	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164750475	720804958	/nfs/dbraw/zinc/80/49/58/720804958.db2.gz	VVGFKTJJRHBKEH-UONOGXRCSA-N	1	1	427.852	2.323	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164750467	720805348	/nfs/dbraw/zinc/80/53/48/720805348.db2.gz	VVGFKTJJRHBKEH-KBPBESRZSA-N	1	1	427.852	2.323	20	5		IEBDMO
COc1cc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865324	721091621	/nfs/dbraw/zinc/09/16/21/721091621.db2.gz	KAPZVINRSVGFKJ-IRXDYDNUSA-N	1	1	436.472	2.421	20	5		IEBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164783670	721459785	/nfs/dbraw/zinc/45/97/85/721459785.db2.gz	FGKFBKMMBHNEKJ-GOSISDBHSA-N	1	1	449.552	2.436	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164801450	721532447	/nfs/dbraw/zinc/53/24/47/721532447.db2.gz	FKFMEGNKXQVXDW-FHWLQOOXSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164801450	721532449	/nfs/dbraw/zinc/53/24/49/721532449.db2.gz	FKFMEGNKXQVXDW-FHWLQOOXSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164806296	721560558	/nfs/dbraw/zinc/56/05/58/721560558.db2.gz	PQTWHVUTBCDGMG-AOIWGVFYSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164806296	721560562	/nfs/dbraw/zinc/56/05/62/721560562.db2.gz	PQTWHVUTBCDGMG-AOIWGVFYSA-N	1	1	427.461	2.040	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164803964	721566739	/nfs/dbraw/zinc/56/67/39/721566739.db2.gz	KDLLPUZXLOOHAK-AABGKKOBSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164803964	721566741	/nfs/dbraw/zinc/56/67/41/721566741.db2.gz	KDLLPUZXLOOHAK-AABGKKOBSA-N	1	1	441.488	2.430	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164803358	721591154	/nfs/dbraw/zinc/59/11/54/721591154.db2.gz	HQHTXFNTQIUAHO-YTQUADARSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1	ZINC001164803358	721591155	/nfs/dbraw/zinc/59/11/55/721591155.db2.gz	HQHTXFNTQIUAHO-YTQUADARSA-N	1	1	427.461	2.040	20	5		IEBDMO
Cn1ccc(CN2CCOCC23CCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC3)n1	ZINC001164936772	721907825	/nfs/dbraw/zinc/90/78/25/721907825.db2.gz	VNEBRBUSNYOHTM-XBXARRHUSA-N	1	1	441.536	2.127	20	5		IEBDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)cc(Cl)c2[N+](=O)[O-])CC3)CC1	ZINC001164996627	722232841	/nfs/dbraw/zinc/23/28/41/722232841.db2.gz	HIJKTZXWYYMWLL-UHFFFAOYSA-N	1	1	438.319	2.444	20	5		IEBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164719537	720128804	/nfs/dbraw/zinc/12/88/04/720128804.db2.gz	YRWKKXGJRCIGFA-IBGZPJMESA-N	1	1	427.505	2.439	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721701	720335783	/nfs/dbraw/zinc/33/57/83/720335783.db2.gz	DAZUKTBNPQFEDC-UONOGXRCSA-N	1	1	432.868	2.463	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721701	720335792	/nfs/dbraw/zinc/33/57/92/720335792.db2.gz	DAZUKTBNPQFEDC-UONOGXRCSA-N	1	1	432.868	2.463	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721702	720336901	/nfs/dbraw/zinc/33/69/01/720336901.db2.gz	DAZUKTBNPQFEDC-ZIAGYGMSSA-N	1	1	432.868	2.463	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)c1[N+](=O)[O-]	ZINC001164721702	720336909	/nfs/dbraw/zinc/33/69/09/720336909.db2.gz	DAZUKTBNPQFEDC-ZIAGYGMSSA-N	1	1	432.868	2.463	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741620	720662423	/nfs/dbraw/zinc/66/24/23/720662423.db2.gz	UMEIOKDTIGHOCF-CHWSQXEVSA-N	1	1	427.852	2.323	20	5		IEBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1	ZINC001164738871	720662899	/nfs/dbraw/zinc/66/28/99/720662899.db2.gz	LEOUZYDZZLLJNY-KGLIPLIRSA-N	1	1	427.852	2.323	20	5		IEBDMO
Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737216	720775700	/nfs/dbraw/zinc/77/57/00/720775700.db2.gz	AZCBSOGJSYBSOA-RBUKOAKNSA-N	1	1	433.472	2.492	20	5		IEBDMO
Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737215	720776485	/nfs/dbraw/zinc/77/64/85/720776485.db2.gz	AZCBSOGJSYBSOA-OALUTQOASA-N	1	1	433.472	2.492	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1	ZINC001164750478	720805085	/nfs/dbraw/zinc/80/50/85/720805085.db2.gz	VVGFKTJJRHBKEH-ZIAGYGMSSA-N	1	1	427.852	2.323	20	5		IEBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740676	720816980	/nfs/dbraw/zinc/81/69/80/720816980.db2.gz	KORIRLMBSOCIAH-BZUAXINKSA-N	1	1	432.916	2.318	20	5		IEBDMO
COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738156	720825527	/nfs/dbraw/zinc/82/55/27/720825527.db2.gz	DWCHAVYLSKDCPE-OKZBNKHCSA-N	1	1	427.509	2.278	20	5		IEBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164856650	720884687	/nfs/dbraw/zinc/88/46/87/720884687.db2.gz	IWMZSPVRTIMOPX-JXFKEZNVSA-N	1	1	431.468	2.364	20	5		IEBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(F)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164856651	720884886	/nfs/dbraw/zinc/88/48/86/720884886.db2.gz	IWMZSPVRTIMOPX-OXJNMPFZSA-N	1	1	431.468	2.364	20	5		IEBDMO
COc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865323	721091901	/nfs/dbraw/zinc/09/19/01/721091901.db2.gz	KAPZVINRSVGFKJ-IAGOWNOFSA-N	1	1	436.472	2.421	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4ccc([N+](=O)[O-])cc4n3)CC2)C1	ZINC001164868571	721269245	/nfs/dbraw/zinc/26/92/45/721269245.db2.gz	COTYEGQJZFJMBO-UHFFFAOYSA-N	1	1	427.505	2.150	20	5		IEBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1	ZINC001164779909	721357433	/nfs/dbraw/zinc/35/74/33/721357433.db2.gz	AFVATUJXSOIGLW-OAQYLSRUSA-N	1	1	431.493	2.260	20	5		IEBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1	ZINC001164779909	721357436	/nfs/dbraw/zinc/35/74/36/721357436.db2.gz	AFVATUJXSOIGLW-OAQYLSRUSA-N	1	1	431.493	2.260	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890564	721389736	/nfs/dbraw/zinc/38/97/36/721389736.db2.gz	OGXHCGJMKVODQN-XMSQKQJNSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886734	721397209	/nfs/dbraw/zinc/39/72/09/721397209.db2.gz	FYXLEWGSHPPNOY-UGSOOPFHSA-N	1	1	445.351	2.457	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896799	721445483	/nfs/dbraw/zinc/44/54/83/721445483.db2.gz	RZUYFWQPPWTUPN-VGSWGCGISA-N	1	1	426.521	2.303	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c([N+](=O)[O-])c1	ZINC001164809448	721543168	/nfs/dbraw/zinc/54/31/68/721543168.db2.gz	USZJGJUCYHVHHI-NZSAHSFTSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c([N+](=O)[O-])c1	ZINC001164809448	721543171	/nfs/dbraw/zinc/54/31/71/721543171.db2.gz	USZJGJUCYHVHHI-NZSAHSFTSA-N	1	1	427.461	2.040	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1	ZINC001164904767	721565446	/nfs/dbraw/zinc/56/54/46/721565446.db2.gz	FQAGEXKFDPUDCP-WBVHZDCISA-N	1	1	430.440	2.133	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164805611	721587686	/nfs/dbraw/zinc/58/76/86/721587686.db2.gz	LFOGJBYIYKIHRQ-HBFSDRIKSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164805611	721587688	/nfs/dbraw/zinc/58/76/88/721587688.db2.gz	LFOGJBYIYKIHRQ-HBFSDRIKSA-N	1	1	441.488	2.430	20	5		IEBDMO
Cc1ccc(CN2CCOC3(CCN(c4ncc([N+](=O)[O-])c(C5C[NH2+]C5)n4)CC3)C2)cc1	ZINC001164940800	721933703	/nfs/dbraw/zinc/93/37/03/721933703.db2.gz	FDLYTIRGSWREDZ-UHFFFAOYSA-N	1	1	438.532	2.251	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1	ZINC001164720639	720261076	/nfs/dbraw/zinc/26/10/76/720261076.db2.gz	ZIUOFQPKPVULLM-NRFANRHFSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1	ZINC001164720639	720261090	/nfs/dbraw/zinc/26/10/90/720261090.db2.gz	ZIUOFQPKPVULLM-NRFANRHFSA-N	1	1	447.923	2.461	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164835338	720514090	/nfs/dbraw/zinc/51/40/90/720514090.db2.gz	JZZKBVPAAFGVAR-VDZJLULYSA-N	1	1	428.493	2.351	20	5		IEBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1F	ZINC001164745426	720795916	/nfs/dbraw/zinc/79/59/16/720795916.db2.gz	KIMKJYDZPSTDFP-HOTGVXAUSA-N	1	1	437.435	2.323	20	5		IEBDMO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1	ZINC001164755287	720870381	/nfs/dbraw/zinc/87/03/81/720870381.db2.gz	VSEASDZPRMCJMO-OFNKIYASSA-N	1	1	439.516	2.378	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865757	721112170	/nfs/dbraw/zinc/11/21/70/721112170.db2.gz	PGVWZKJRAQSTPV-ZWKOTPCHSA-N	1	1	427.461	2.041	20	5		IEBDMO
COc1ncnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776797	721350412	/nfs/dbraw/zinc/35/04/12/721350412.db2.gz	CWNDRIOMUTUTFZ-HXUWFJFHSA-N	1	1	432.481	2.117	20	5		IEBDMO
COc1ncnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776797	721350415	/nfs/dbraw/zinc/35/04/15/721350415.db2.gz	CWNDRIOMUTUTFZ-HXUWFJFHSA-N	1	1	432.481	2.117	20	5		IEBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1	ZINC001164779907	721357382	/nfs/dbraw/zinc/35/73/82/721357382.db2.gz	AFVATUJXSOIGLW-NRFANRHFSA-N	1	1	431.493	2.260	20	5		IEBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3c(C)c([N+](=O)[O-])cc[n+]3[O-])C2)C1	ZINC001164779907	721357385	/nfs/dbraw/zinc/35/73/85/721357385.db2.gz	AFVATUJXSOIGLW-NRFANRHFSA-N	1	1	431.493	2.260	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164801446	721531510	/nfs/dbraw/zinc/53/15/10/721531510.db2.gz	FKFMEGNKXQVXDW-CEXWTWQISA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164801446	721531512	/nfs/dbraw/zinc/53/15/12/721531512.db2.gz	FKFMEGNKXQVXDW-CEXWTWQISA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164803352	721591151	/nfs/dbraw/zinc/59/11/51/721591151.db2.gz	HQHTXFNTQIUAHO-NEWSRXKRSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)n1	ZINC001164803352	721591152	/nfs/dbraw/zinc/59/11/52/721591152.db2.gz	HQHTXFNTQIUAHO-NEWSRXKRSA-N	1	1	427.461	2.040	20	5		IEBDMO
CSc1nc(Cl)nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)c1[N+](=O)[O-]	ZINC001165010193	721739412	/nfs/dbraw/zinc/73/94/12/721739412.db2.gz	FZPUVPZSIWSHDT-UHFFFAOYSA-N	1	1	428.946	2.283	20	5		IEBDMO
COC(=O)c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1	ZINC001164964127	722054298	/nfs/dbraw/zinc/05/42/98/722054298.db2.gz	RSLYJMGPKSNIKR-UHFFFAOYSA-N	1	1	441.488	2.290	20	5		IEBDMO
O=[N+]([O-])c1cc[n+]([O-])c(Cl)c1N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2	ZINC001164963226	722056610	/nfs/dbraw/zinc/05/66/10/722056610.db2.gz	JCMJSDVNZIZQPO-UHFFFAOYSA-N	1	1	433.896	2.396	20	5		IEBDMO
COC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834620	720556317	/nfs/dbraw/zinc/55/63/17/720556317.db2.gz	FEYVKUBNFRAPAO-XYJFISCASA-N	1	1	428.493	2.351	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl	ZINC001164740282	720617541	/nfs/dbraw/zinc/61/75/41/720617541.db2.gz	IJYBOMFJBHENGW-QWHCGFSZSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)cnc1Cl	ZINC001164740282	720617552	/nfs/dbraw/zinc/61/75/52/720617552.db2.gz	IJYBOMFJBHENGW-QWHCGFSZSA-N	1	1	426.811	2.320	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164837775	720642259	/nfs/dbraw/zinc/64/22/59/720642259.db2.gz	JJARXODGDFHSII-FGTMMUONSA-N	1	1	442.524	2.226	20	5		IEBDMO
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1	ZINC001164738870	720663325	/nfs/dbraw/zinc/66/33/25/720663325.db2.gz	LEOUZYDZZLLJNY-KBPBESRZSA-N	1	1	427.852	2.323	20	5		IEBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738687	720738195	/nfs/dbraw/zinc/73/81/95/720738195.db2.gz	GWAWZRNTUARPJV-ROUUACIJSA-N	1	1	433.472	2.492	20	5		IEBDMO
Cc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737214	720775045	/nfs/dbraw/zinc/77/50/45/720775045.db2.gz	AZCBSOGJSYBSOA-MOPGFXCFSA-N	1	1	433.472	2.492	20	5		IEBDMO
COc1cc(C)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738153	720825836	/nfs/dbraw/zinc/82/58/36/720825836.db2.gz	DWCHAVYLSKDCPE-KZNAEPCWSA-N	1	1	427.509	2.278	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865754	721112815	/nfs/dbraw/zinc/11/28/15/721112815.db2.gz	PGVWZKJRAQSTPV-MSOLQXFVSA-N	1	1	427.461	2.041	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nc(Cl)nc(Cl)c4[N+](=O)[O-])C3)O2)CC1	ZINC001164886729	721397264	/nfs/dbraw/zinc/39/72/64/721397264.db2.gz	FYXLEWGSHPPNOY-ACJLOTCBSA-N	1	1	445.351	2.457	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890088	721405587	/nfs/dbraw/zinc/40/55/87/721405587.db2.gz	SCQBJBDFCMXEEL-GCJKJVERSA-N	1	1	426.521	2.303	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC001164809451	721543133	/nfs/dbraw/zinc/54/31/33/721543133.db2.gz	USZJGJUCYHVHHI-WDSOQIARSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC001164809451	721543136	/nfs/dbraw/zinc/54/31/36/721543136.db2.gz	USZJGJUCYHVHHI-WDSOQIARSA-N	1	1	427.461	2.040	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164803967	721566521	/nfs/dbraw/zinc/56/65/21/721566521.db2.gz	KDLLPUZXLOOHAK-UFYCRDLUSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21	ZINC001164803967	721566524	/nfs/dbraw/zinc/56/65/24/721566524.db2.gz	KDLLPUZXLOOHAK-UFYCRDLUSA-N	1	1	441.488	2.430	20	5		IEBDMO
COC(=O)c1ccnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164964802	722056864	/nfs/dbraw/zinc/05/68/64/722056864.db2.gz	XUSUUSJBRGVKRX-UHFFFAOYSA-N	1	1	441.488	2.290	20	5		IEBDMO
COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704885	719879528	/nfs/dbraw/zinc/87/95/28/719879528.db2.gz	WXPQIVJOPZRLTL-RNODOKPDSA-N	1	1	449.895	2.424	20	5		IEBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806396	720086594	/nfs/dbraw/zinc/08/65/94/720086594.db2.gz	BZWWQMWIFXXOIP-YJYMSZOUSA-N	1	1	439.900	2.010	20	5		IEBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164716136	720117554	/nfs/dbraw/zinc/11/75/54/720117554.db2.gz	JFEQRJCYRDVSGP-QGZVFWFLSA-N	1	1	428.493	2.296	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164838256	720647777	/nfs/dbraw/zinc/64/77/77/720647777.db2.gz	GTXFXPLYPVQXTP-LZLYRXPVSA-N	1	1	428.493	2.351	20	5		IEBDMO
Cc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164737217	720774375	/nfs/dbraw/zinc/77/43/75/720774375.db2.gz	AZCBSOGJSYBSOA-RTBURBONSA-N	1	1	433.472	2.492	20	5		IEBDMO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751188	720810505	/nfs/dbraw/zinc/81/05/05/720810505.db2.gz	XGVFPGJTUSIYPP-OWCLPIDISA-N	1	1	432.916	2.318	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865756	721111251	/nfs/dbraw/zinc/11/12/51/721111251.db2.gz	PGVWZKJRAQSTPV-ROUUACIJSA-N	1	1	427.461	2.041	20	5		IEBDMO
CCOC(=O)C(C(=O)OCC)c1nc(N2CC3(C2)CC[N@@H+](CC2CC2)C3)ccc1[N+](=O)[O-]	ZINC001164774336	721304108	/nfs/dbraw/zinc/30/41/08/721304108.db2.gz	AAXITYFDTXMWOF-UHFFFAOYSA-N	1	1	446.504	2.122	20	5		IEBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCO[C@@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164912967	721779899	/nfs/dbraw/zinc/77/98/99/721779899.db2.gz	SEWHFLVYOFAXNX-QFIPXVFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCO[C@@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164912967	721779901	/nfs/dbraw/zinc/77/99/01/721779901.db2.gz	SEWHFLVYOFAXNX-QFIPXVFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164973880	722151908	/nfs/dbraw/zinc/15/19/08/722151908.db2.gz	NHUPLIGVZMAQDH-PKOBYXMFSA-N	1	1	441.488	2.289	20	5		IEBDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2nc(Cl)c(Cl)cc2[N+](=O)[O-])CC3)CC1	ZINC001164997095	722231129	/nfs/dbraw/zinc/23/11/29/722231129.db2.gz	PLIQHEALFYDXQR-UHFFFAOYSA-N	1	1	438.319	2.444	20	5		IEBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806393	720085804	/nfs/dbraw/zinc/08/58/04/720085804.db2.gz	BZWWQMWIFXXOIP-BFUOFWGJSA-N	1	1	439.900	2.010	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164738234	720654855	/nfs/dbraw/zinc/65/48/55/720654855.db2.gz	AZIJOEHFQYHRKY-RYUDHWBXSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1Cl	ZINC001164738234	720654870	/nfs/dbraw/zinc/65/48/70/720654870.db2.gz	AZIJOEHFQYHRKY-RYUDHWBXSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)ccc1F	ZINC001164745425	720795259	/nfs/dbraw/zinc/79/52/59/720795259.db2.gz	KIMKJYDZPSTDFP-CVEARBPZSA-N	1	1	437.435	2.323	20	5		IEBDMO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751186	720810665	/nfs/dbraw/zinc/81/06/65/720810665.db2.gz	XGVFPGJTUSIYPP-HRCADAONSA-N	1	1	432.916	2.318	20	5		IEBDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164852907	720877144	/nfs/dbraw/zinc/87/71/44/720877144.db2.gz	AHBQHGMGJYFSOX-MNOVXSKESA-N	1	1	439.822	2.231	20	5		IEBDMO
COc1cc2ncnc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865325	721091248	/nfs/dbraw/zinc/09/12/48/721091248.db2.gz	KAPZVINRSVGFKJ-SJORKVTESA-N	1	1	436.472	2.421	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865755	721111653	/nfs/dbraw/zinc/11/16/53/721111653.db2.gz	PGVWZKJRAQSTPV-QZTJIDSGSA-N	1	1	427.461	2.041	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164875335	721175309	/nfs/dbraw/zinc/17/53/09/721175309.db2.gz	KXCVMXPZZGXBRJ-DLBZAZTESA-N	1	1	427.461	2.041	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886811	721392223	/nfs/dbraw/zinc/39/22/23/721392223.db2.gz	GJVJEMUVBZYAAZ-GCJKJVERSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886812	721392501	/nfs/dbraw/zinc/39/25/01/721392501.db2.gz	GJVJEMUVBZYAAZ-PGRDOPGGSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889412	721405522	/nfs/dbraw/zinc/40/55/22/721405522.db2.gz	QFVFWADGJSJTKS-AVRDEDQJSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890095	721405835	/nfs/dbraw/zinc/40/58/35/721405835.db2.gz	SCQBJBDFCMXEEL-XMSQKQJNSA-N	1	1	426.521	2.303	20	5		IEBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164783672	721460089	/nfs/dbraw/zinc/46/00/89/721460089.db2.gz	FGKFBKMMBHNEKJ-SFHVURJKSA-N	1	1	449.552	2.436	20	5		IEBDMO
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1	ZINC001164912920	721779968	/nfs/dbraw/zinc/77/99/68/721779968.db2.gz	RSIMXZYSJRAOCQ-QFIPXVFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1	ZINC001164912920	721779972	/nfs/dbraw/zinc/77/99/72/721779972.db2.gz	RSIMXZYSJRAOCQ-QFIPXVFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)C[C@H]21	ZINC001164948661	721955609	/nfs/dbraw/zinc/95/56/09/721955609.db2.gz	SJYIEOAIJHETMV-SBUVDCAVSA-N	1	1	428.493	2.217	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164980889	722129527	/nfs/dbraw/zinc/12/95/27/722129527.db2.gz	NIBMJYXDZZVTDQ-XLIONFOSSA-N	1	1	441.488	2.289	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164980888	722129859	/nfs/dbraw/zinc/12/98/59/722129859.db2.gz	NIBMJYXDZZVTDQ-PXNSSMCTSA-N	1	1	441.488	2.289	20	5		IEBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806394	720085561	/nfs/dbraw/zinc/08/55/61/720085561.db2.gz	BZWWQMWIFXXOIP-DJJJIMSYSA-N	1	1	439.900	2.010	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164835336	720513854	/nfs/dbraw/zinc/51/38/54/720513854.db2.gz	JZZKBVPAAFGVAR-KVSKMBFKSA-N	1	1	428.493	2.351	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl	ZINC001164740280	720619411	/nfs/dbraw/zinc/61/94/11/720619411.db2.gz	IJYBOMFJBHENGW-CHWSQXEVSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)cnc1Cl	ZINC001164740280	720619424	/nfs/dbraw/zinc/61/94/24/720619424.db2.gz	IJYBOMFJBHENGW-CHWSQXEVSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737105	720668475	/nfs/dbraw/zinc/66/84/75/720668475.db2.gz	DIAWNDOLILVHCO-STQMWFEESA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1	ZINC001164737105	720668482	/nfs/dbraw/zinc/66/84/82/720668482.db2.gz	DIAWNDOLILVHCO-STQMWFEESA-N	1	1	426.811	2.320	20	5		IEBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740674	720816638	/nfs/dbraw/zinc/81/66/38/720816638.db2.gz	KORIRLMBSOCIAH-ARFHVFGLSA-N	1	1	432.916	2.318	20	5		IEBDMO
CCOc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744707	720840362	/nfs/dbraw/zinc/84/03/62/720840362.db2.gz	LEUCEHNERLIKSR-RCCFBDPRSA-N	1	1	427.509	2.359	20	5		IEBDMO
CCOc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744706	720840687	/nfs/dbraw/zinc/84/06/87/720840687.db2.gz	LEUCEHNERLIKSR-OKZBNKHCSA-N	1	1	427.509	2.359	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc4ccccc4cc3[N+](=O)[O-])CC2)C1	ZINC001164875627	721278949	/nfs/dbraw/zinc/27/89/49/721278949.db2.gz	YAKAZCAUWRMKIT-UHFFFAOYSA-N	1	1	427.505	2.150	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2C[C@H]3C[NH+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164782805	721392023	/nfs/dbraw/zinc/39/20/23/721392023.db2.gz	FTPTVAYRPVHMBB-GHMZBOCLSA-N	1	1	438.897	2.240	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164782806	721392161	/nfs/dbraw/zinc/39/21/61/721392161.db2.gz	FTPTVAYRPVHMBB-PHIMTYICSA-N	1	1	438.897	2.240	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3C[N@H+](Cc4nccs4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164782806	721392166	/nfs/dbraw/zinc/39/21/66/721392166.db2.gz	FTPTVAYRPVHMBB-PHIMTYICSA-N	1	1	438.897	2.240	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890092	721405684	/nfs/dbraw/zinc/40/56/84/721405684.db2.gz	SCQBJBDFCMXEEL-PGRDOPGGSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896793	721445470	/nfs/dbraw/zinc/44/54/70/721445470.db2.gz	RZUYFWQPPWTUPN-JTSKRJEESA-N	1	1	426.521	2.303	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164801453	721532212	/nfs/dbraw/zinc/53/22/12/721532212.db2.gz	FKFMEGNKXQVXDW-GBESFXJTSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164801453	721532215	/nfs/dbraw/zinc/53/22/15/721532215.db2.gz	FKFMEGNKXQVXDW-GBESFXJTSA-N	1	1	427.461	2.040	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164904761	721565009	/nfs/dbraw/zinc/56/50/09/721565009.db2.gz	FQAGEXKFDPUDCP-DOTOQJQBSA-N	1	1	430.440	2.133	20	5		IEBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCO[C@]2(C1)COCC[N@H+](Cc1cccnc1)C2	ZINC001164912966	721780279	/nfs/dbraw/zinc/78/02/79/721780279.db2.gz	SEWHFLVYOFAXNX-JOCHJYFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CCO[C@]2(C1)COCC[N@@H+](Cc1cccnc1)C2	ZINC001164912966	721780280	/nfs/dbraw/zinc/78/02/80/721780280.db2.gz	SEWHFLVYOFAXNX-JOCHJYFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1	ZINC001164963255	722056209	/nfs/dbraw/zinc/05/62/09/722056209.db2.gz	JZFDFEQDAFIWQJ-UHFFFAOYSA-N	1	1	428.493	2.216	20	5		IEBDMO
COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704884	719879701	/nfs/dbraw/zinc/87/97/01/719879701.db2.gz	WXPQIVJOPZRLTL-RBZFPXEDSA-N	1	1	449.895	2.424	20	5		IEBDMO
COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704887	719879826	/nfs/dbraw/zinc/87/98/26/719879826.db2.gz	WXPQIVJOPZRLTL-ZUOKHONESA-N	1	1	449.895	2.424	20	5		IEBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164716130	720118174	/nfs/dbraw/zinc/11/81/74/720118174.db2.gz	JFEQRJCYRDVSGP-KRWDZBQOSA-N	1	1	428.493	2.296	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1	ZINC001164721913	720306207	/nfs/dbraw/zinc/30/62/07/720306207.db2.gz	IVZLFTNEPMITKW-OAQYLSRUSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1	ZINC001164721913	720306208	/nfs/dbraw/zinc/30/62/08/720306208.db2.gz	IVZLFTNEPMITKW-OAQYLSRUSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1	ZINC001164721910	720306560	/nfs/dbraw/zinc/30/65/60/720306560.db2.gz	IVZLFTNEPMITKW-NRFANRHFSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C2)C1	ZINC001164721910	720306568	/nfs/dbraw/zinc/30/65/68/720306568.db2.gz	IVZLFTNEPMITKW-NRFANRHFSA-N	1	1	447.923	2.461	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164837776	720642997	/nfs/dbraw/zinc/64/29/97/720642997.db2.gz	JJARXODGDFHSII-KZNAEPCWSA-N	1	1	442.524	2.226	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164837777	720643417	/nfs/dbraw/zinc/64/34/17/720643417.db2.gz	JJARXODGDFHSII-OKZBNKHCSA-N	1	1	442.524	2.226	20	5		IEBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738684	720738748	/nfs/dbraw/zinc/73/87/48/720738748.db2.gz	GWAWZRNTUARPJV-MSOLQXFVSA-N	1	1	433.472	2.492	20	5		IEBDMO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164755288	720871040	/nfs/dbraw/zinc/87/10/40/720871040.db2.gz	VSEASDZPRMCJMO-REWPJTCUSA-N	1	1	439.516	2.378	20	5		IEBDMO
COCC[N@H+]1CCO[C@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1	ZINC001164852909	720877007	/nfs/dbraw/zinc/87/70/07/720877007.db2.gz	AHBQHGMGJYFSOX-QWRGUYRKSA-N	1	1	439.822	2.231	20	5		IEBDMO
COc1nc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164777052	721331876	/nfs/dbraw/zinc/33/18/76/721331876.db2.gz	LCMSGRFXVIYDAD-HXUWFJFHSA-N	1	1	432.481	2.117	20	5		IEBDMO
COc1nc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164777052	721331877	/nfs/dbraw/zinc/33/18/77/721331877.db2.gz	LCMSGRFXVIYDAD-HXUWFJFHSA-N	1	1	432.481	2.117	20	5		IEBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779501	721350443	/nfs/dbraw/zinc/35/04/43/721350443.db2.gz	UKNGCDRFCPRZRY-NRFANRHFSA-N	1	1	446.508	2.426	20	5		IEBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779501	721350447	/nfs/dbraw/zinc/35/04/47/721350447.db2.gz	UKNGCDRFCPRZRY-NRFANRHFSA-N	1	1	446.508	2.426	20	5		IEBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779502	721350763	/nfs/dbraw/zinc/35/07/63/721350763.db2.gz	UKNGCDRFCPRZRY-OAQYLSRUSA-N	1	1	446.508	2.426	20	5		IEBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)n1	ZINC001164779502	721350768	/nfs/dbraw/zinc/35/07/68/721350768.db2.gz	UKNGCDRFCPRZRY-OAQYLSRUSA-N	1	1	446.508	2.426	20	5		IEBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164789225	721460018	/nfs/dbraw/zinc/46/00/18/721460018.db2.gz	VXKDRTLPUQILMU-KRWDZBQOSA-N	1	1	435.525	2.127	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164805613	721588008	/nfs/dbraw/zinc/58/80/08/721588008.db2.gz	LFOGJBYIYKIHRQ-WSTZPKSXSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164805613	721588010	/nfs/dbraw/zinc/58/80/10/721588010.db2.gz	LFOGJBYIYKIHRQ-WSTZPKSXSA-N	1	1	441.488	2.430	20	5		IEBDMO
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn3)C[C@@H]21	ZINC001164948659	721955615	/nfs/dbraw/zinc/95/56/15/721955615.db2.gz	SJYIEOAIJHETMV-DXPXIUTNSA-N	1	1	428.493	2.217	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1	ZINC001164726097	720306301	/nfs/dbraw/zinc/30/63/01/720306301.db2.gz	XVGHIMFYCCUEHC-QHCPKHFHSA-N	1	1	439.516	2.322	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1	ZINC001164726097	720306306	/nfs/dbraw/zinc/30/63/06/720306306.db2.gz	XVGHIMFYCCUEHC-QHCPKHFHSA-N	1	1	439.516	2.322	20	5		IEBDMO
COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834614	720555663	/nfs/dbraw/zinc/55/56/63/720555663.db2.gz	FEYVKUBNFRAPAO-JFIYKMOQSA-N	1	1	428.493	2.351	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164838258	720648523	/nfs/dbraw/zinc/64/85/23/720648523.db2.gz	GTXFXPLYPVQXTP-SOLBZPMBSA-N	1	1	428.493	2.351	20	5		IEBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740678	720816856	/nfs/dbraw/zinc/81/68/56/720816856.db2.gz	KORIRLMBSOCIAH-HRCADAONSA-N	1	1	432.916	2.318	20	5		IEBDMO
O=[N+]([O-])c1cc[n+]([O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1	ZINC001164755286	720870224	/nfs/dbraw/zinc/87/02/24/720870224.db2.gz	VSEASDZPRMCJMO-NZQKXSOJSA-N	1	1	439.516	2.378	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc4ccc([N+](=O)[O-])cc43)CC2)C1	ZINC001164872310	721282746	/nfs/dbraw/zinc/28/27/46/721282746.db2.gz	BTHCBUZZVFJYDO-UHFFFAOYSA-N	1	1	427.505	2.150	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)C3)O2)CC1	ZINC001164886810	721392726	/nfs/dbraw/zinc/39/27/26/721392726.db2.gz	GJVJEMUVBZYAAZ-AVRDEDQJSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890084	721405956	/nfs/dbraw/zinc/40/59/56/721405956.db2.gz	SCQBJBDFCMXEEL-AVRDEDQJSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889413	721406003	/nfs/dbraw/zinc/40/60/03/721406003.db2.gz	QFVFWADGJSJTKS-GCJKJVERSA-N	1	1	426.521	2.303	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164801458	721531469	/nfs/dbraw/zinc/53/14/69/721531469.db2.gz	FKFMEGNKXQVXDW-QYZOEREBSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21	ZINC001164801458	721531471	/nfs/dbraw/zinc/53/14/71/721531471.db2.gz	FKFMEGNKXQVXDW-QYZOEREBSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164806304	721560921	/nfs/dbraw/zinc/56/09/21/721560921.db2.gz	PQTWHVUTBCDGMG-ZIFCJYIRSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)c1[N+](=O)[O-]	ZINC001164806304	721560924	/nfs/dbraw/zinc/56/09/24/721560924.db2.gz	PQTWHVUTBCDGMG-ZIFCJYIRSA-N	1	1	427.461	2.040	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164803966	721566126	/nfs/dbraw/zinc/56/61/26/721566126.db2.gz	KDLLPUZXLOOHAK-SLFFLAALSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21	ZINC001164803966	721566128	/nfs/dbraw/zinc/56/61/28/721566128.db2.gz	KDLLPUZXLOOHAK-SLFFLAALSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164803965	721566405	/nfs/dbraw/zinc/56/64/05/721566405.db2.gz	KDLLPUZXLOOHAK-HSALFYBXSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21	ZINC001164803965	721566408	/nfs/dbraw/zinc/56/64/08/721566408.db2.gz	KDLLPUZXLOOHAK-HSALFYBXSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164980887	722129767	/nfs/dbraw/zinc/12/97/67/722129767.db2.gz	NIBMJYXDZZVTDQ-FXAWDEMLSA-N	1	1	441.488	2.289	20	5		IEBDMO
COc1nc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)nc(OC)c1[N+](=O)[O-]	ZINC001164695257	719892123	/nfs/dbraw/zinc/89/21/23/719892123.db2.gz	KDDFLNUGLNAZDP-UHFFFAOYSA-N	1	1	435.506	2.335	20	5		IEBDMO
COc1nc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)nc(OC)c1[N+](=O)[O-]	ZINC001164695257	719892125	/nfs/dbraw/zinc/89/21/25/719892125.db2.gz	KDDFLNUGLNAZDP-UHFFFAOYSA-N	1	1	435.506	2.335	20	5		IEBDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)CCC2	ZINC001164813313	720235102	/nfs/dbraw/zinc/23/51/02/720235102.db2.gz	MQZDACYMMDIUTJ-YFHOEESVSA-N	1	1	441.536	2.329	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164738236	720653479	/nfs/dbraw/zinc/65/34/79/720653479.db2.gz	AZIJOEHFQYHRKY-VXGBXAGGSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164738236	720653491	/nfs/dbraw/zinc/65/34/91/720653491.db2.gz	AZIJOEHFQYHRKY-VXGBXAGGSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164738230	720655057	/nfs/dbraw/zinc/65/50/57/720655057.db2.gz	AZIJOEHFQYHRKY-NEPJUHHUSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1ccc(C(F)(F)N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1Cl	ZINC001164738230	720655075	/nfs/dbraw/zinc/65/50/75/720655075.db2.gz	AZIJOEHFQYHRKY-NEPJUHHUSA-N	1	1	426.811	2.320	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741624	720662360	/nfs/dbraw/zinc/66/23/60/720662360.db2.gz	UMEIOKDTIGHOCF-OLZOCXBDSA-N	1	1	427.852	2.323	20	5		IEBDMO
Cc1ccc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)nn2)cc1[N+](=O)[O-]	ZINC001164738686	720739717	/nfs/dbraw/zinc/73/97/17/720739717.db2.gz	GWAWZRNTUARPJV-QZTJIDSGSA-N	1	1	433.472	2.492	20	5		IEBDMO
O=[N+]([O-])c1cc(-c2ccc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)nn2)ccc1F	ZINC001164745428	720794692	/nfs/dbraw/zinc/79/46/92/720794692.db2.gz	KIMKJYDZPSTDFP-JKSUJKDBSA-N	1	1	437.435	2.323	20	5		IEBDMO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751184	720810286	/nfs/dbraw/zinc/81/02/86/720810286.db2.gz	XGVFPGJTUSIYPP-BZUAXINKSA-N	1	1	432.916	2.318	20	5		IEBDMO
Cc1nc(Cl)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164751182	720810501	/nfs/dbraw/zinc/81/05/01/720810501.db2.gz	XGVFPGJTUSIYPP-ARFHVFGLSA-N	1	1	432.916	2.318	20	5		IEBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164740680	720816743	/nfs/dbraw/zinc/81/67/43/720816743.db2.gz	KORIRLMBSOCIAH-OWCLPIDISA-N	1	1	432.916	2.318	20	5		IEBDMO
CCOc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164744704	720840206	/nfs/dbraw/zinc/84/02/06/720840206.db2.gz	LEUCEHNERLIKSR-KZNAEPCWSA-N	1	1	427.509	2.359	20	5		IEBDMO
COc1cc2ncnc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)c2cc1[N+](=O)[O-]	ZINC001164865322	721090944	/nfs/dbraw/zinc/09/09/44/721090944.db2.gz	KAPZVINRSVGFKJ-DLBZAZTESA-N	1	1	436.472	2.421	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164875336	721174747	/nfs/dbraw/zinc/17/47/47/721174747.db2.gz	KXCVMXPZZGXBRJ-IAGOWNOFSA-N	1	1	427.461	2.041	20	5		IEBDMO
CCOC(=O)c1nc(Cl)nc(N2C[C@@H]3C[NH+](Cc4nccs4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164782808	721392018	/nfs/dbraw/zinc/39/20/18/721392018.db2.gz	FTPTVAYRPVHMBB-QWRGUYRKSA-N	1	1	438.897	2.240	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164806301	721560690	/nfs/dbraw/zinc/56/06/90/721560690.db2.gz	PQTWHVUTBCDGMG-LNLFQRSKSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164806301	721560694	/nfs/dbraw/zinc/56/06/94/721560694.db2.gz	PQTWHVUTBCDGMG-LNLFQRSKSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164803354	721591353	/nfs/dbraw/zinc/59/13/53/721591353.db2.gz	HQHTXFNTQIUAHO-NZSAHSFTSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)n1	ZINC001164803354	721591356	/nfs/dbraw/zinc/59/13/56/721591356.db2.gz	HQHTXFNTQIUAHO-NZSAHSFTSA-N	1	1	427.461	2.040	20	5		IEBDMO
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1	ZINC001164912918	721780056	/nfs/dbraw/zinc/78/00/56/721780056.db2.gz	RSIMXZYSJRAOCQ-JOCHJYFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
O=[N+]([O-])c1ccc2ncnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1	ZINC001164912918	721780063	/nfs/dbraw/zinc/78/00/63/721780063.db2.gz	RSIMXZYSJRAOCQ-JOCHJYFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])c(C3C[NH2+]C3)n2)CC1	ZINC001165030958	721845376	/nfs/dbraw/zinc/84/53/76/721845376.db2.gz	MZYOUFSLQPPVDV-UHFFFAOYSA-N	1	1	442.520	2.190	20	5		IEBDMO
Cn1ccc(CN2CCOCC23CCN(c2cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn2)CC3)n1	ZINC001164936773	721907650	/nfs/dbraw/zinc/90/76/50/721907650.db2.gz	VNEBRBUSNYOHTM-YWEYNIOJSA-N	1	1	441.536	2.127	20	5		IEBDMO
O=[N+]([O-])c1cnc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c([N+](=O)[O-])c1	ZINC001164964307	722054576	/nfs/dbraw/zinc/05/45/76/722054576.db2.gz	UPMHROUHVYCIIF-UHFFFAOYSA-N	1	1	428.449	2.412	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164973876	722152212	/nfs/dbraw/zinc/15/22/12/722152212.db2.gz	NHUPLIGVZMAQDH-IEBWSBKVSA-N	1	1	441.488	2.289	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)n1	ZINC001164837778	720641934	/nfs/dbraw/zinc/64/19/34/720641934.db2.gz	JJARXODGDFHSII-RCCFBDPRSA-N	1	1	442.524	2.226	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1	ZINC001164838261	720647266	/nfs/dbraw/zinc/64/72/66/720647266.db2.gz	GTXFXPLYPVQXTP-XYJFISCASA-N	1	1	428.493	2.351	20	5		IEBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164875340	721175925	/nfs/dbraw/zinc/17/59/25/721175925.db2.gz	KXCVMXPZZGXBRJ-SJORKVTESA-N	1	1	427.461	2.041	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(Cl)cc(Cl)c3[N+](=O)[O-])CC2)C1	ZINC001164869334	721270551	/nfs/dbraw/zinc/27/05/51/721270551.db2.gz	KMIVRTSITRHITG-UHFFFAOYSA-N	1	1	446.335	2.304	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ncc([N+](=O)[O-])c4ccccc43)CC2)C1	ZINC001164868971	721270570	/nfs/dbraw/zinc/27/05/70/721270570.db2.gz	HUEQBFDOINGXFN-UHFFFAOYSA-N	1	1	427.505	2.150	20	5		IEBDMO
COc1ncnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776791	721350200	/nfs/dbraw/zinc/35/02/00/721350200.db2.gz	CWNDRIOMUTUTFZ-FQEVSTJZSA-N	1	1	432.481	2.117	20	5		IEBDMO
COc1ncnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776791	721350202	/nfs/dbraw/zinc/35/02/02/721350202.db2.gz	CWNDRIOMUTUTFZ-FQEVSTJZSA-N	1	1	432.481	2.117	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890563	721389832	/nfs/dbraw/zinc/38/98/32/721389832.db2.gz	OGXHCGJMKVODQN-PGRDOPGGSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896795	721445772	/nfs/dbraw/zinc/44/57/72/721445772.db2.gz	RZUYFWQPPWTUPN-VGOFRKELSA-N	1	1	426.521	2.303	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164805605	721587718	/nfs/dbraw/zinc/58/77/18/721587718.db2.gz	LFOGJBYIYKIHRQ-BJLQDIEVSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164805605	721587720	/nfs/dbraw/zinc/58/77/20/721587720.db2.gz	LFOGJBYIYKIHRQ-BJLQDIEVSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164805607	721587923	/nfs/dbraw/zinc/58/79/23/721587923.db2.gz	LFOGJBYIYKIHRQ-CMKODMSKSA-N	1	1	441.488	2.430	20	5		IEBDMO
CCOC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164805607	721587925	/nfs/dbraw/zinc/58/79/25/721587925.db2.gz	LFOGJBYIYKIHRQ-CMKODMSKSA-N	1	1	441.488	2.430	20	5		IEBDMO
O=[N+]([O-])c1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1C1C[NH2+]C1	ZINC001164912128	721738098	/nfs/dbraw/zinc/73/80/98/721738098.db2.gz	MBCXKCORXWGGJI-FQEVSTJZSA-N	1	1	445.474	2.204	20	5		IEBDMO
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c21	ZINC001164913495	721798835	/nfs/dbraw/zinc/79/88/35/721798835.db2.gz	DTZGVDLYRKQHLU-QFIPXVFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
O=[N+]([O-])c1cccc2ncnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c21	ZINC001164913495	721798837	/nfs/dbraw/zinc/79/88/37/721798837.db2.gz	DTZGVDLYRKQHLU-QFIPXVFZSA-N	1	1	436.472	2.041	20	5		IEBDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc(-c4ccccc4[N+](=O)[O-])nn2)CC3)CC1	ZINC001165001561	722238749	/nfs/dbraw/zinc/23/87/49/722238749.db2.gz	IXWNSBZXNCXOOT-UHFFFAOYSA-N	1	1	446.515	2.199	20	5		IEBDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164690214	719742131	/nfs/dbraw/zinc/74/21/31/719742131.db2.gz	VEMXBPQVWUWXRP-UHFFFAOYSA-N	1	1	436.822	2.238	20	5		IEBDMO
COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc([N+](=O)[O-])cc2c(Cl)ncnc21	ZINC001164704886	719879613	/nfs/dbraw/zinc/87/96/13/719879613.db2.gz	WXPQIVJOPZRLTL-XCLFUZPHSA-N	1	1	449.895	2.424	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164719755	720226872	/nfs/dbraw/zinc/22/68/72/720226872.db2.gz	TYDBWDGRNXHBJZ-QFIPXVFZSA-N	1	1	427.505	2.116	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(C)c4cc([N+](=O)[O-])ccc4n3)C2)C1	ZINC001164719755	720226886	/nfs/dbraw/zinc/22/68/86/720226886.db2.gz	TYDBWDGRNXHBJZ-QFIPXVFZSA-N	1	1	427.505	2.116	20	5		IEBDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)CCC2	ZINC001164813312	720234235	/nfs/dbraw/zinc/23/42/35/720234235.db2.gz	MQZDACYMMDIUTJ-JXMROGBWSA-N	1	1	441.536	2.329	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1	ZINC001164720641	720259979	/nfs/dbraw/zinc/25/99/79/720259979.db2.gz	ZIUOFQPKPVULLM-OAQYLSRUSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc4c(ccc(Cl)c4[N+](=O)[O-])n3)C2)C1	ZINC001164720641	720259980	/nfs/dbraw/zinc/25/99/80/720259980.db2.gz	ZIUOFQPKPVULLM-OAQYLSRUSA-N	1	1	447.923	2.461	20	5		IEBDMO
CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1	ZINC001164726093	720306016	/nfs/dbraw/zinc/30/60/16/720306016.db2.gz	XVGHIMFYCCUEHC-HSZRJFAPSA-N	1	1	439.516	2.322	20	5		IEBDMO
CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C2)C1	ZINC001164726093	720306024	/nfs/dbraw/zinc/30/60/24/720306024.db2.gz	XVGHIMFYCCUEHC-HSZRJFAPSA-N	1	1	439.516	2.322	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164835335	720514044	/nfs/dbraw/zinc/51/40/44/720514044.db2.gz	JZZKBVPAAFGVAR-HHXXYDBFSA-N	1	1	428.493	2.351	20	5		IEBDMO
COC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164834618	720556225	/nfs/dbraw/zinc/55/62/25/720556225.db2.gz	FEYVKUBNFRAPAO-SOLBZPMBSA-N	1	1	428.493	2.351	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741631	720663111	/nfs/dbraw/zinc/66/31/11/720663111.db2.gz	UMEIOKDTIGHOCF-QWHCGFSZSA-N	1	1	427.852	2.323	20	5		IEBDMO
COc1cc(C)nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1[N+](=O)[O-]	ZINC001164738161	720825861	/nfs/dbraw/zinc/82/58/61/720825861.db2.gz	DWCHAVYLSKDCPE-RCCFBDPRSA-N	1	1	427.509	2.278	20	5		IEBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@@H]2C1	ZINC001164852905	720877283	/nfs/dbraw/zinc/87/72/83/720877283.db2.gz	AHBQHGMGJYFSOX-GHMZBOCLSA-N	1	1	439.822	2.231	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nccc4cc([N+](=O)[O-])ccc43)CC2)C1	ZINC001164873790	721292372	/nfs/dbraw/zinc/29/23/72/721292372.db2.gz	ALIFCHBFEZDKAR-UHFFFAOYSA-N	1	1	427.505	2.150	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889415	721405614	/nfs/dbraw/zinc/40/56/14/721405614.db2.gz	QFVFWADGJSJTKS-XMSQKQJNSA-N	1	1	426.521	2.303	20	5		IEBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5cccc([N+](=O)[O-])c54)C3)O2)CC1	ZINC001164896791	721445778	/nfs/dbraw/zinc/44/57/78/721445778.db2.gz	RZUYFWQPPWTUPN-HTAPYJJXSA-N	1	1	426.521	2.303	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([N+](=O)[O-])c1	ZINC001164809444	721543504	/nfs/dbraw/zinc/54/35/04/721543504.db2.gz	USZJGJUCYHVHHI-NEWSRXKRSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@H]32)c([N+](=O)[O-])c1	ZINC001164809444	721543508	/nfs/dbraw/zinc/54/35/08/721543508.db2.gz	USZJGJUCYHVHHI-NEWSRXKRSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164803356	721591169	/nfs/dbraw/zinc/59/11/69/721591169.db2.gz	HQHTXFNTQIUAHO-WDSOQIARSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)n1	ZINC001164803356	721591170	/nfs/dbraw/zinc/59/11/70/721591170.db2.gz	HQHTXFNTQIUAHO-WDSOQIARSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(C(=O)OC)c1[N+](=O)[O-])C2	ZINC001164806395	720086283	/nfs/dbraw/zinc/08/62/83/720086283.db2.gz	BZWWQMWIFXXOIP-ORAYPTAESA-N	1	1	439.900	2.010	20	5		IEBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164835337	720514355	/nfs/dbraw/zinc/51/43/55/720514355.db2.gz	JZZKBVPAAFGVAR-SZVBFZGTSA-N	1	1	428.493	2.351	20	5		IEBDMO
O=[N+]([O-])c1cc2c(Cl)ncnc2cc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741635	720663707	/nfs/dbraw/zinc/66/37/07/720663707.db2.gz	UMEIOKDTIGHOCF-STQMWFEESA-N	1	1	427.852	2.323	20	5		IEBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3nc(C(F)(F)F)nc(Cl)c3[N+](=O)[O-])CC[C@H]2C1	ZINC001164852910	720877050	/nfs/dbraw/zinc/87/70/50/720877050.db2.gz	AHBQHGMGJYFSOX-WDEREUQCSA-N	1	1	439.822	2.231	20	5		IEBDMO
COC(=O)c1nc(Cl)nc(N2CCn3c(C[N@@H+](C)C(C)C)cnc3[C@@H]2C)c1[N+](=O)[O-]	ZINC001164859202	720935934	/nfs/dbraw/zinc/93/59/34/720935934.db2.gz	LCKYMRFLHAVQRS-NSHDSACASA-N	1	1	437.888	2.443	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4cccc([N+](=O)[O-])c4n3)CC2)C1	ZINC001164870429	721270756	/nfs/dbraw/zinc/27/07/56/721270756.db2.gz	YNVCQRYUWCPOMU-UHFFFAOYSA-N	1	1	427.505	2.150	20	5		IEBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4c(cccc4[N+](=O)[O-])n3)CC2)C1	ZINC001164869387	721271129	/nfs/dbraw/zinc/27/11/29/721271129.db2.gz	NBESFUUZQLENFF-UHFFFAOYSA-N	1	1	427.505	2.150	20	5		IEBDMO
COc1nc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164777051	721331589	/nfs/dbraw/zinc/33/15/89/721331589.db2.gz	LCMSGRFXVIYDAD-FQEVSTJZSA-N	1	1	432.481	2.117	20	5		IEBDMO
COc1nc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164777051	721331592	/nfs/dbraw/zinc/33/15/92/721331592.db2.gz	LCMSGRFXVIYDAD-FQEVSTJZSA-N	1	1	432.481	2.117	20	5		IEBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164890562	721388587	/nfs/dbraw/zinc/38/85/87/721388587.db2.gz	OGXHCGJMKVODQN-GCJKJVERSA-N	1	1	426.521	2.303	20	5		IEBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164789227	721460029	/nfs/dbraw/zinc/46/00/29/721460029.db2.gz	VXKDRTLPUQILMU-QGZVFWFLSA-N	1	1	435.525	2.127	20	5		IEBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164789357	721463072	/nfs/dbraw/zinc/46/30/72/721463072.db2.gz	XGYIRCAQUUIGHS-IBGZPJMESA-N	1	1	434.537	2.271	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC001164809453	721543351	/nfs/dbraw/zinc/54/33/51/721543351.db2.gz	USZJGJUCYHVHHI-YTQUADARSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1cnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c([N+](=O)[O-])c1	ZINC001164809453	721543354	/nfs/dbraw/zinc/54/33/54/721543354.db2.gz	USZJGJUCYHVHHI-YTQUADARSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164806299	721561113	/nfs/dbraw/zinc/56/11/13/721561113.db2.gz	PQTWHVUTBCDGMG-JENIJYKNSA-N	1	1	427.461	2.040	20	5		IEBDMO
COC(=O)c1ccnc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)c1[N+](=O)[O-]	ZINC001164806299	721561117	/nfs/dbraw/zinc/56/11/17/721561117.db2.gz	PQTWHVUTBCDGMG-JENIJYKNSA-N	1	1	427.461	2.040	20	5		IEBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1	ZINC001164904765	721565292	/nfs/dbraw/zinc/56/52/92/721565292.db2.gz	FQAGEXKFDPUDCP-RDJZCZTQSA-N	1	1	430.440	2.133	20	5		IEBDMO