smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869091	721064741	/nfs/dbraw/zinc/06/47/41/721064741.db2.gz	ROUALPCGJDMWTM-PMACEKPBSA-N	0	3	419.485	3.326	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc21	ZINC001164976460	722114739	/nfs/dbraw/zinc/11/47/39/722114739.db2.gz	LQOYCSJMXKLSCX-AVRDEDQJSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1	ZINC001164982721	722136722	/nfs/dbraw/zinc/13/67/22/722136722.db2.gz	SFBNFRVLJTYYLF-DENIHFKCSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1	ZINC001164723634	720483322	/nfs/dbraw/zinc/48/33/22/720483322.db2.gz	CXJJAULYDTUMCV-IAGOWNOFSA-N	0	3	410.865	3.440	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)cnc2c1	ZINC001164900535	721520395	/nfs/dbraw/zinc/52/03/95/721520395.db2.gz	SASQPOLWPBMHAW-AEFFLSMTSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc21	ZINC001164976481	722114345	/nfs/dbraw/zinc/11/43/45/722114345.db2.gz	LQOYCSJMXKLSCX-XMSQKQJNSA-N	0	3	419.485	3.265	20	5		HGBDHN
CC(C)N(C)Cc1cnc2n1CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@@H]2C	ZINC001164857157	720999188	/nfs/dbraw/zinc/99/91/88/720999188.db2.gz	CNPKMRYVEDWGJT-KXPUMZMLSA-N	0	3	413.526	3.140	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)cnc2c1	ZINC001164900538	721520145	/nfs/dbraw/zinc/52/01/45/721520145.db2.gz	SASQPOLWPBMHAW-WMZOPIPTSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1	ZINC001164971896	722110350	/nfs/dbraw/zinc/11/03/50/722110350.db2.gz	DCFGFALARFKVCR-SIKLNZKXSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164975480	722156198	/nfs/dbraw/zinc/15/61/98/722156198.db2.gz	SZZLGSRRSCSPJK-DENIHFKCSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1	ZINC001164982724	722136270	/nfs/dbraw/zinc/13/62/70/722136270.db2.gz	SFBNFRVLJTYYLF-KNQAVFIVSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1	ZINC001164728483	720359132	/nfs/dbraw/zinc/35/91/32/720359132.db2.gz	VUSAOEYHHHFPGM-ROUUACIJSA-N	0	3	410.865	3.440	20	5		HGBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)ccc1F	ZINC001164729500	720466241	/nfs/dbraw/zinc/46/62/41/720466241.db2.gz	RGDWTQYGNJIESC-PMACEKPBSA-N	0	3	420.448	3.439	20	5		HGBDHN
O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21	ZINC001164909931	721563167	/nfs/dbraw/zinc/56/31/67/721563167.db2.gz	VQWAFLCFUJXDKJ-NVXWUHKLSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1	ZINC001164902867	721529795	/nfs/dbraw/zinc/52/97/95/721529795.db2.gz	BMWKZUDLRTVQBH-WMZOPIPTSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@H]4C3)cnc2Cl)c1	ZINC001164390279	718826548	/nfs/dbraw/zinc/82/65/48/718826548.db2.gz	NJEJJHYRDBAASN-SJORKVTESA-N	0	3	424.835	3.422	20	5		HGBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1	ZINC001164723632	720482595	/nfs/dbraw/zinc/48/25/95/720482595.db2.gz	CXJJAULYDTUMCV-DLBZAZTESA-N	0	3	410.865	3.440	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2ccccc21	ZINC001164866920	721078871	/nfs/dbraw/zinc/07/88/71/721078871.db2.gz	VDKIOQULWGIPHZ-ROUUACIJSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865988	721115148	/nfs/dbraw/zinc/11/51/48/721115148.db2.gz	QUCZCCSBBHLKPE-RBUKOAKNSA-N	0	3	405.458	3.018	20	5		HGBDHN
Cn1cc(CN2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@@H]3C2)cn1	ZINC001164762857	721238112	/nfs/dbraw/zinc/23/81/12/721238112.db2.gz	LOMCJANNZNLEQG-PMACEKPBSA-N	0	3	418.501	3.349	20	5		HGBDHN
Cn1cc(CN2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@@H]3C2)cn1	ZINC001164762861	721238331	/nfs/dbraw/zinc/23/83/31/721238331.db2.gz	LOMCJANNZNLEQG-UXHICEINSA-N	0	3	418.501	3.349	20	5		HGBDHN
COc1cc(CN[C@@H](CO)Cc2ccccc2)c([N+](=O)[O-])cc1OCC(F)(F)F	ZINC001461442973	1126194716	/nfs/dbraw/zinc/19/47/16/1126194716.db2.gz	GUUNTRVTSJCHOU-OAHLLOKOSA-N	0	3	414.380	3.238	20	5		HGBDHN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@H]4C3)cnc2Cl)c1	ZINC001164390278	718826678	/nfs/dbraw/zinc/82/66/78/718826678.db2.gz	NJEJJHYRDBAASN-IRXDYDNUSA-N	0	3	424.835	3.422	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1	ZINC001164728481	720359484	/nfs/dbraw/zinc/35/94/84/720359484.db2.gz	VUSAOEYHHHFPGM-MSOLQXFVSA-N	0	3	410.865	3.440	20	5		HGBDHN
CC(C)N(C)Cc1cnc2n1CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)[C@@H]2C	ZINC001164857164	721000527	/nfs/dbraw/zinc/00/05/27/721000527.db2.gz	CNPKMRYVEDWGJT-XITLMJRVSA-N	0	3	413.526	3.140	20	5		HGBDHN
COc1ccccc1C[C@@](C)(CO)NCc1ccc(Br)cc1[N+](=O)[O-]	ZINC001560102597	1126208185	/nfs/dbraw/zinc/20/81/85/1126208185.db2.gz	SHCXVEYEXXCXDG-SFHVURJKSA-N	0	3	409.280	3.449	20	5		HGBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)ccc1F	ZINC001164729501	720466893	/nfs/dbraw/zinc/46/68/93/720466893.db2.gz	RGDWTQYGNJIESC-UXHICEINSA-N	0	3	420.448	3.439	20	5		HGBDHN
Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869100	721065061	/nfs/dbraw/zinc/06/50/61/721065061.db2.gz	ROUALPCGJDMWTM-VQTJNVASSA-N	0	3	419.485	3.326	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164869741	721129458	/nfs/dbraw/zinc/12/94/58/721129458.db2.gz	ANCIUYHRRUUIHK-WOJBJXKFSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc21	ZINC001164867200	721081794	/nfs/dbraw/zinc/08/17/94/721081794.db2.gz	WUOFREMYMRAEDK-RBUKOAKNSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21	ZINC001164909933	721563938	/nfs/dbraw/zinc/56/39/38/721563938.db2.gz	VQWAFLCFUJXDKJ-RDJZCZTQSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc21	ZINC001164971899	722112163	/nfs/dbraw/zinc/11/21/63/722112163.db2.gz	DCJBTNXJQPVCQK-GCJKJVERSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nn1	ZINC001164735729	720455421	/nfs/dbraw/zinc/45/54/21/720455421.db2.gz	YDFGAKPSVXZAQU-RTWAWAEBSA-N	0	3	402.458	3.300	20	5		HGBDHN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865989	721113997	/nfs/dbraw/zinc/11/39/97/721113997.db2.gz	QUCZCCSBBHLKPE-RTBURBONSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164869738	721129984	/nfs/dbraw/zinc/12/99/84/721129984.db2.gz	ANCIUYHRRUUIHK-PMACEKPBSA-N	0	3	405.458	3.018	20	5		HGBDHN
CC(C)N(C)Cc1cnc2n1CCN(c1cc(/C=C/N(C)C)c([N+](=O)[O-])cn1)[C@H]2C	ZINC001164857162	720999583	/nfs/dbraw/zinc/99/95/83/720999583.db2.gz	CNPKMRYVEDWGJT-WAVCKPEOSA-N	0	3	413.526	3.140	20	5		HGBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1	ZINC001164723638	720482618	/nfs/dbraw/zinc/48/26/18/720482618.db2.gz	CXJJAULYDTUMCV-SJORKVTESA-N	0	3	410.865	3.440	20	5		HGBDHN
O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1	ZINC001164902857	721529142	/nfs/dbraw/zinc/52/91/42/721529142.db2.gz	BMWKZUDLRTVQBH-AEFFLSMTSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21	ZINC001164909928	721563212	/nfs/dbraw/zinc/56/32/12/721563212.db2.gz	VQWAFLCFUJXDKJ-DOTOQJQBSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21	ZINC001164983630	722113549	/nfs/dbraw/zinc/11/35/49/722113549.db2.gz	YRWFUXCWQKLZJE-TZIWHRDSSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cc2c(Cl)ncnc2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1	ZINC001164723636	720482675	/nfs/dbraw/zinc/48/26/75/720482675.db2.gz	CXJJAULYDTUMCV-IRXDYDNUSA-N	0	3	410.865	3.440	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc21	ZINC001164866919	721079533	/nfs/dbraw/zinc/07/95/33/721079533.db2.gz	VDKIOQULWGIPHZ-QZTJIDSGSA-N	0	3	405.458	3.018	20	5		HGBDHN
CCOC(=O)C1CCN(C2CCN(c3nc(C)cc(Cl)c3[N+](=O)[O-])CC2)CC1	ZINC001164614756	719024704	/nfs/dbraw/zinc/02/47/04/719024704.db2.gz	XVHTVMXPGUGVER-UHFFFAOYSA-N	0	3	410.902	3.196	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1	ZINC001164728484	720359167	/nfs/dbraw/zinc/35/91/67/720359167.db2.gz	VUSAOEYHHHFPGM-ZWKOTPCHSA-N	0	3	410.865	3.440	20	5		HGBDHN
Cn1cc(CN2CC[C@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@H]3C2)cn1	ZINC001164762866	721238354	/nfs/dbraw/zinc/23/83/54/721238354.db2.gz	LOMCJANNZNLEQG-VQTJNVASSA-N	0	3	418.501	3.349	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c2ccccc21	ZINC001164971898	722112236	/nfs/dbraw/zinc/11/22/36/722112236.db2.gz	DCJBTNXJQPVCQK-AVRDEDQJSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1	ZINC001164982727	722136471	/nfs/dbraw/zinc/13/64/71/722136471.db2.gz	SFBNFRVLJTYYLF-SIKLNZKXSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1	ZINC001164975484	722155999	/nfs/dbraw/zinc/15/59/99/722155999.db2.gz	SZZLGSRRSCSPJK-SIKLNZKXSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nn1	ZINC001164735728	720456411	/nfs/dbraw/zinc/45/64/11/720456411.db2.gz	YDFGAKPSVXZAQU-NHCUHLMSSA-N	0	3	402.458	3.300	20	5		HGBDHN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164865986	721114357	/nfs/dbraw/zinc/11/43/57/721114357.db2.gz	QUCZCCSBBHLKPE-MOPGFXCFSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1	ZINC001164902864	721529616	/nfs/dbraw/zinc/52/96/16/721529616.db2.gz	BMWKZUDLRTVQBH-SJLPKXTDSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1	ZINC001164982730	722136148	/nfs/dbraw/zinc/13/61/48/722136148.db2.gz	SFBNFRVLJTYYLF-UGKGYDQZSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nn1	ZINC001164735730	720455565	/nfs/dbraw/zinc/45/55/65/720455565.db2.gz	YDFGAKPSVXZAQU-SFTDATJTSA-N	0	3	402.458	3.300	20	5		HGBDHN
Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869098	721064431	/nfs/dbraw/zinc/06/44/31/721064431.db2.gz	ROUALPCGJDMWTM-UXHICEINSA-N	0	3	419.485	3.326	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc21	ZINC001164867198	721082066	/nfs/dbraw/zinc/08/20/66/721082066.db2.gz	WUOFREMYMRAEDK-OALUTQOASA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)ccc21	ZINC001164867009	721082875	/nfs/dbraw/zinc/08/28/75/721082875.db2.gz	WLUUHNTUTFFSDU-ZWKOTPCHSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)cnc2c1	ZINC001164900536	721520481	/nfs/dbraw/zinc/52/04/81/721520481.db2.gz	SASQPOLWPBMHAW-FUHWJXTLSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cccc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21	ZINC001164909935	721563464	/nfs/dbraw/zinc/56/34/64/721563464.db2.gz	VQWAFLCFUJXDKJ-WBVHZDCISA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21	ZINC001164971901	722112299	/nfs/dbraw/zinc/11/22/99/722112299.db2.gz	DCJBTNXJQPVCQK-XMSQKQJNSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c2ccccc21	ZINC001164866921	721079480	/nfs/dbraw/zinc/07/94/80/721079480.db2.gz	VDKIOQULWGIPHZ-ZWKOTPCHSA-N	0	3	405.458	3.018	20	5		HGBDHN
Cc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164773233	721095889	/nfs/dbraw/zinc/09/58/89/721095889.db2.gz	XIYIVIVFBWLZBO-QZTJIDSGSA-N	0	3	406.490	3.143	20	5		HGBDHN
Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164773236	721096412	/nfs/dbraw/zinc/09/64/12/721096412.db2.gz	XIYIVIVFBWLZBO-ROUUACIJSA-N	0	3	406.490	3.143	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21	ZINC001164983628	722114073	/nfs/dbraw/zinc/11/40/73/722114073.db2.gz	YRWFUXCWQKLZJE-PZJWPPBQSA-N	0	3	419.485	3.265	20	5		HGBDHN
COc1ccccc1C[C@](C)(CO)NCc1ccc(Br)cc1[N+](=O)[O-]	ZINC001560102596	1126208202	/nfs/dbraw/zinc/20/82/02/1126208202.db2.gz	SHCXVEYEXXCXDG-GOSISDBHSA-N	0	3	409.280	3.449	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(Cl)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1	ZINC001164728482	720360051	/nfs/dbraw/zinc/36/00/51/720360051.db2.gz	VUSAOEYHHHFPGM-QZTJIDSGSA-N	0	3	410.865	3.440	20	5		HGBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)ccc1F	ZINC001164729502	720466483	/nfs/dbraw/zinc/46/64/83/720466483.db2.gz	RGDWTQYGNJIESC-VQTJNVASSA-N	0	3	420.448	3.439	20	5		HGBDHN
Cc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164773231	721096211	/nfs/dbraw/zinc/09/62/11/721096211.db2.gz	XIYIVIVFBWLZBO-MSOLQXFVSA-N	0	3	406.490	3.143	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc21	ZINC001164976466	722114489	/nfs/dbraw/zinc/11/44/89/722114489.db2.gz	LQOYCSJMXKLSCX-GCJKJVERSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)ccc21	ZINC001164867008	721083725	/nfs/dbraw/zinc/08/37/25/721083725.db2.gz	WLUUHNTUTFFSDU-ROUUACIJSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@@H]4NCCO[C@@H]4C3)cnc2Cl)c1	ZINC001164390276	718826652	/nfs/dbraw/zinc/82/66/52/718826652.db2.gz	NJEJJHYRDBAASN-DLBZAZTESA-N	0	3	424.835	3.422	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc21	ZINC001164867201	721082385	/nfs/dbraw/zinc/08/23/85/721082385.db2.gz	WUOFREMYMRAEDK-RTBURBONSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)ccc21	ZINC001164867007	721083428	/nfs/dbraw/zinc/08/34/28/721083428.db2.gz	WLUUHNTUTFFSDU-QZTJIDSGSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c2ccccc21	ZINC001164971900	722111968	/nfs/dbraw/zinc/11/19/68/722111968.db2.gz	DCJBTNXJQPVCQK-PGRDOPGGSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164975482	722156328	/nfs/dbraw/zinc/15/63/28/722156328.db2.gz	SZZLGSRRSCSPJK-KNQAVFIVSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1	ZINC001164869740	721130536	/nfs/dbraw/zinc/13/05/36/721130536.db2.gz	ANCIUYHRRUUIHK-VQTJNVASSA-N	0	3	405.458	3.018	20	5		HGBDHN
CC(C)N(C)Cc1cnc2n1CCN(c1cc(/C=C\N(C)C)c([N+](=O)[O-])cn1)[C@H]2C	ZINC001164857159	720998732	/nfs/dbraw/zinc/99/87/32/720998732.db2.gz	CNPKMRYVEDWGJT-PTZVLDCSSA-N	0	3	413.526	3.140	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2c1	ZINC001164971894	722109956	/nfs/dbraw/zinc/10/99/56/722109956.db2.gz	DCFGFALARFKVCR-DENIHFKCSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2ccccc21	ZINC001164866918	721078915	/nfs/dbraw/zinc/07/89/15/721078915.db2.gz	VDKIOQULWGIPHZ-MSOLQXFVSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)ccc21	ZINC001164867006	721083769	/nfs/dbraw/zinc/08/37/69/721083769.db2.gz	WLUUHNTUTFFSDU-MSOLQXFVSA-N	0	3	405.458	3.018	20	5		HGBDHN
Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164773238	721096606	/nfs/dbraw/zinc/09/66/06/721096606.db2.gz	XIYIVIVFBWLZBO-ZWKOTPCHSA-N	0	3	406.490	3.143	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1	ZINC001164971895	722110219	/nfs/dbraw/zinc/11/02/19/722110219.db2.gz	DCFGFALARFKVCR-KNQAVFIVSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cccc(-c2cc(C(F)(F)N3CC[C@H]4NCCO[C@@H]4C3)cnc2Cl)c1	ZINC001164390277	718826404	/nfs/dbraw/zinc/82/64/04/718826404.db2.gz	NJEJJHYRDBAASN-IAGOWNOFSA-N	0	3	424.835	3.422	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc21	ZINC001164867197	721081705	/nfs/dbraw/zinc/08/17/05/721081705.db2.gz	WUOFREMYMRAEDK-MOPGFXCFSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164865987	721113413	/nfs/dbraw/zinc/11/34/13/721113413.db2.gz	QUCZCCSBBHLKPE-OALUTQOASA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1	ZINC001164869739	721131038	/nfs/dbraw/zinc/13/10/38/721131038.db2.gz	ANCIUYHRRUUIHK-UXHICEINSA-N	0	3	405.458	3.018	20	5		HGBDHN
O=[N+]([O-])c1cc(-c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)ccc1F	ZINC001164729503	720465908	/nfs/dbraw/zinc/46/59/08/720465908.db2.gz	RGDWTQYGNJIESC-WOJBJXKFSA-N	0	3	420.448	3.439	20	5		HGBDHN
O=[N+]([O-])c1ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2c1	ZINC001164971897	722110122	/nfs/dbraw/zinc/11/01/22/722110122.db2.gz	DCFGFALARFKVCR-UGKGYDQZSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21	ZINC001164983624	722113680	/nfs/dbraw/zinc/11/36/80/722113680.db2.gz	YRWFUXCWQKLZJE-FPOVZHCZSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1cccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21	ZINC001164983621	722113852	/nfs/dbraw/zinc/11/38/52/722113852.db2.gz	YRWFUXCWQKLZJE-CTNGQTDRSA-N	0	3	419.485	3.265	20	5		HGBDHN
O=[N+]([O-])c1ccc2c(ccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1	ZINC001164975485	722156325	/nfs/dbraw/zinc/15/63/25/722156325.db2.gz	SZZLGSRRSCSPJK-UGKGYDQZSA-N	0	3	419.485	3.265	20	5		HGBDHN
Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc2ccc([N+](=O)[O-])cc12	ZINC001164869102	721064608	/nfs/dbraw/zinc/06/46/08/721064608.db2.gz	ROUALPCGJDMWTM-WOJBJXKFSA-N	0	3	419.485	3.326	20	5		HGBDHN
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nn1	ZINC001164735727	720456001	/nfs/dbraw/zinc/45/60/01/720456001.db2.gz	YDFGAKPSVXZAQU-LEWJYISDSA-N	0	3	402.458	3.300	20	5		HGBDHN
Cn1cc(CN2CC[C@@H]3CN(c4ccc([N+](=O)[O-])c(-c5ccccc5)n4)C[C@H]3C2)cn1	ZINC001164762869	721238766	/nfs/dbraw/zinc/23/87/66/721238766.db2.gz	LOMCJANNZNLEQG-WOJBJXKFSA-N	0	3	418.501	3.349	20	5		HGBDHN
O=[N+]([O-])c1ccc2nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)cnc2c1	ZINC001164900537	721520705	/nfs/dbraw/zinc/52/07/05/721520705.db2.gz	SASQPOLWPBMHAW-SJLPKXTDSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1ccc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1	ZINC001164902861	721529479	/nfs/dbraw/zinc/52/94/79/721529479.db2.gz	BMWKZUDLRTVQBH-FUHWJXTLSA-N	0	3	409.421	3.019	20	5		HGBDHN
O=[N+]([O-])c1cccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc21	ZINC001164976474	722114927	/nfs/dbraw/zinc/11/49/27/722114927.db2.gz	LQOYCSJMXKLSCX-PGRDOPGGSA-N	0	3	419.485	3.265	20	5		HGBDHN