smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-]	ZINC001164627271	719064155	/nfs/dbraw/zinc/06/41/55/719064155.db2.gz	QFXBAYHGZCLHEM-GJZGRUSLSA-N	1	1	431.880	2.926	20	5		IFBDMO
CCc1cc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164689818	719745654	/nfs/dbraw/zinc/74/56/54/719745654.db2.gz	KEPFHCJSUADLBM-UHFFFAOYSA-N	1	1	438.532	2.795	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@@H]4C3)ccc21	ZINC001164736846	720716386	/nfs/dbraw/zinc/71/63/86/720716386.db2.gz	BPLCKEXLZLRUDG-KGLIPLIRSA-N	1	1	426.864	2.928	20	5		IFBDMO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1	ZINC001164747392	720815250	/nfs/dbraw/zinc/81/52/50/720815250.db2.gz	NYSTWSJEAOCJFR-DJPFJPOOSA-N	1	1	434.504	2.509	20	5		IFBDMO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164752375	720906722	/nfs/dbraw/zinc/90/67/22/720906722.db2.gz	OBKJEWJNXZNBEM-AUSIDOKSSA-N	1	1	438.532	2.722	20	5		IFBDMO
Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755025	720928836	/nfs/dbraw/zinc/92/88/36/720928836.db2.gz	XVUOVVFSAVKZEE-NZQKXSOJSA-N	1	1	438.532	2.843	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1	ZINC001164762292	721101635	/nfs/dbraw/zinc/10/16/35/721101635.db2.gz	DUAHCOOUUXENRG-LSDHHAIUSA-N	1	1	427.896	2.883	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772205	721101881	/nfs/dbraw/zinc/10/18/81/721101881.db2.gz	UXSRHQZTODBKFC-LSDHHAIUSA-N	1	1	427.896	2.883	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1	ZINC001164766169	721229188	/nfs/dbraw/zinc/22/91/88/721229188.db2.gz	SIGSIPWMPLNELC-QZTJIDSGSA-N	1	1	437.479	2.883	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@@H]3C2)cn1	ZINC001164769702	721245926	/nfs/dbraw/zinc/24/59/26/721245926.db2.gz	ZFLOPXAEFGKLAN-GJZGRUSLSA-N	1	1	427.896	2.883	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164788466	721393861	/nfs/dbraw/zinc/39/38/61/721393861.db2.gz	SBYPAEBHEYSNGF-TXEJJXNPSA-N	1	1	437.909	2.845	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](Cc3nccs3)C[C@@H]2C1	ZINC001164788466	721393864	/nfs/dbraw/zinc/39/38/64/721393864.db2.gz	SBYPAEBHEYSNGF-TXEJJXNPSA-N	1	1	437.909	2.845	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888234	721401175	/nfs/dbraw/zinc/40/11/75/721401175.db2.gz	NRHVFKUVMQYLLK-NFBKMPQASA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890397	721408860	/nfs/dbraw/zinc/40/88/60/721408860.db2.gz	SLGKCKPRQHYLJD-WZONZLPQSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890219	721429234	/nfs/dbraw/zinc/42/92/34/721429234.db2.gz	CKHULRQKDBYRPV-REWPJTCUSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12	ZINC001164806602	721541811	/nfs/dbraw/zinc/54/18/11/721541811.db2.gz	PBBSCCVEKIFTIH-GZBFAFLISA-N	1	1	439.303	2.955	20	5		IFBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@@H]12	ZINC001164806602	721541817	/nfs/dbraw/zinc/54/18/17/721541817.db2.gz	PBBSCCVEKIFTIH-GZBFAFLISA-N	1	1	439.303	2.955	20	5		IFBDMO
O=[N+]([O-])c1ccc2ccnc(N3CCO[C@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1	ZINC001164916684	721791724	/nfs/dbraw/zinc/79/17/24/721791724.db2.gz	SJYALYBBLLAMBW-HSZRJFAPSA-N	1	1	435.484	2.646	20	5		IFBDMO
O=[N+]([O-])c1ccc2ccnc(N3CCO[C@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1	ZINC001164916684	721791727	/nfs/dbraw/zinc/79/17/27/721791727.db2.gz	SJYALYBBLLAMBW-HSZRJFAPSA-N	1	1	435.484	2.646	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001165025827	721802666	/nfs/dbraw/zinc/80/26/66/721802666.db2.gz	PIHSQHFSYZYMQS-YSSFQJQWSA-N	1	1	425.489	2.908	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001165025824	721802774	/nfs/dbraw/zinc/80/27/74/721802774.db2.gz	PIHSQHFSYZYMQS-BEVDRBHNSA-N	1	1	425.489	2.908	20	5		IFBDMO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165023492	721815450	/nfs/dbraw/zinc/81/54/50/721815450.db2.gz	HEKXYQVTRZSBDS-SNRMKQJTSA-N	1	1	425.489	2.908	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165020730	721831960	/nfs/dbraw/zinc/83/19/60/721831960.db2.gz	DNYZQVFLTGGEHI-IEZWGBDMSA-N	1	1	425.489	2.908	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)n1	ZINC001165030970	721845095	/nfs/dbraw/zinc/84/50/95/721845095.db2.gz	NFMSFECFQQSDFL-UHFFFAOYSA-N	1	1	444.488	2.894	20	5		IFBDMO
COc1nc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)nc(OC)c1[N+](=O)[O-]	ZINC001164938971	721926001	/nfs/dbraw/zinc/92/60/01/721926001.db2.gz	FAVSWDBEPDCDGI-UHFFFAOYSA-N	1	1	443.504	2.582	20	5		IFBDMO
O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164944488	721973350	/nfs/dbraw/zinc/97/33/50/721973350.db2.gz	JGMFSDCMXCOXMM-UHFFFAOYSA-N	1	1	432.484	2.509	20	5		IFBDMO
O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164944488	721973352	/nfs/dbraw/zinc/97/33/52/721973352.db2.gz	JGMFSDCMXCOXMM-UHFFFAOYSA-N	1	1	432.484	2.509	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982760	722107746	/nfs/dbraw/zinc/10/77/46/722107746.db2.gz	OVHAEOOBJPWCQK-KBPBESRZSA-N	1	1	439.303	2.814	20	5		IFBDMO
CN(C)/C=C/c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977005	722138079	/nfs/dbraw/zinc/13/80/79/722138079.db2.gz	HNGNKOSSCYROJR-WENHOXRWSA-N	1	1	438.532	2.644	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1	ZINC001164707343	719910236	/nfs/dbraw/zinc/91/02/36/719910236.db2.gz	PUNKQATXJRGIDE-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1	ZINC001164707343	719910245	/nfs/dbraw/zinc/91/02/45/719910245.db2.gz	PUNKQATXJRGIDE-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811086	720124937	/nfs/dbraw/zinc/12/49/37/720124937.db2.gz	LHKSPDFFZVVZOZ-FZKQIMNGSA-N	1	1	427.958	2.945	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164833765	720569898	/nfs/dbraw/zinc/56/98/98/720569898.db2.gz	BNTQDZBDIAWQBI-XKGZKEIXSA-N	1	1	442.520	2.741	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164833768	720570246	/nfs/dbraw/zinc/57/02/46/720570246.db2.gz	BNTQDZBDIAWQBI-YVWKXTFCSA-N	1	1	442.520	2.741	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741097	720679242	/nfs/dbraw/zinc/67/92/42/720679242.db2.gz	SRPDJJLDOLMORR-KGLIPLIRSA-N	1	1	426.864	2.928	20	5		IFBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164844907	720690445	/nfs/dbraw/zinc/69/04/45/720690445.db2.gz	WDLGAGUIVJWTRL-SFHVURJKSA-N	1	1	427.505	2.962	20	5		IFBDMO
CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740493	720779753	/nfs/dbraw/zinc/77/97/53/720779753.db2.gz	LJXOFGANFSUKPT-UXHICEINSA-N	1	1	447.499	2.746	20	5		IFBDMO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl	ZINC001164743811	720822226	/nfs/dbraw/zinc/82/22/26/720822226.db2.gz	SMUDLVIBNWVECS-IXDOHACOSA-N	1	1	431.928	2.923	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739990	720851075	/nfs/dbraw/zinc/85/10/75/720851075.db2.gz	BJZFSRGUAMCIBD-CEXWTWQISA-N	1	1	441.536	2.748	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1	ZINC001164762288	721100899	/nfs/dbraw/zinc/10/08/99/721100899.db2.gz	DUAHCOOUUXENRG-GJZGRUSLSA-N	1	1	427.896	2.883	20	5		IFBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1	ZINC001164869786	721137707	/nfs/dbraw/zinc/13/77/07/721137707.db2.gz	BNROCQINOUIDCO-LEWJYISDSA-N	1	1	432.484	2.927	20	5		IFBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1	ZINC001164869788	721138295	/nfs/dbraw/zinc/13/82/95/721138295.db2.gz	BNROCQINOUIDCO-RTWAWAEBSA-N	1	1	432.484	2.927	20	5		IFBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@@H](OCc5cccnc5)C[C@H]4C3)nn2)cc1	ZINC001164869789	721138826	/nfs/dbraw/zinc/13/88/26/721138826.db2.gz	BNROCQINOUIDCO-SFTDATJTSA-N	1	1	432.484	2.927	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888236	721401350	/nfs/dbraw/zinc/40/13/50/721401350.db2.gz	NRHVFKUVMQYLLK-OFNKIYASSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892967	721407212	/nfs/dbraw/zinc/40/72/12/721407212.db2.gz	ZOYUREJDJNIVKN-XXBNENTESA-N	1	1	425.533	2.908	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164784771	721457640	/nfs/dbraw/zinc/45/76/40/721457640.db2.gz	KBWZOLNJRQMYAQ-SFHVURJKSA-N	1	1	434.537	2.732	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164784100	721458368	/nfs/dbraw/zinc/45/83/68/721458368.db2.gz	GUJSUTNYTMOXBU-SFHVURJKSA-N	1	1	434.537	2.732	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164908015	721586467	/nfs/dbraw/zinc/58/64/67/721586467.db2.gz	YBDJSRMMUHIPAE-FQEVSTJZSA-N	1	1	447.442	2.909	20	5		IFBDMO
COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022669	721811577	/nfs/dbraw/zinc/81/15/77/721811577.db2.gz	GMXRTPCEKKMITM-USXIJHARSA-N	1	1	428.493	2.534	20	5		IFBDMO
CN(C)/C=C/c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164976999	722138297	/nfs/dbraw/zinc/13/82/97/722138297.db2.gz	HNGNKOSSCYROJR-CRZUHJALSA-N	1	1	438.532	2.644	20	5		IFBDMO
Cc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc2ccc([N+](=O)[O-])cc12	ZINC001164996601	722231534	/nfs/dbraw/zinc/23/15/34/722231534.db2.gz	KPSRMRHJGMWTDC-UHFFFAOYSA-N	1	1	433.516	2.598	20	5		IFBDMO
COCCN1CC[N@H+](C)C2(CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)C1=O	ZINC001164644306	719280206	/nfs/dbraw/zinc/28/02/06/719280206.db2.gz	HPOMPFSFHRHKGF-UHFFFAOYSA-N	1	1	447.923	2.556	20	5		IFBDMO
COCCN1CC[N@@H+](C)C2(CCN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)CC2)C1=O	ZINC001164644306	719280209	/nfs/dbraw/zinc/28/02/09/719280209.db2.gz	HPOMPFSFHRHKGF-UHFFFAOYSA-N	1	1	447.923	2.556	20	5		IFBDMO
CCc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740497	720780703	/nfs/dbraw/zinc/78/07/03/720780703.db2.gz	LJXOFGANFSUKPT-VQTJNVASSA-N	1	1	447.499	2.746	20	5		IFBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746027	720803807	/nfs/dbraw/zinc/80/38/07/720803807.db2.gz	LLIVKCKUUVAFTB-ZWKOTPCHSA-N	1	1	436.447	2.928	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745607	720825083	/nfs/dbraw/zinc/82/50/83/720825083.db2.gz	XEGSRDNGMPGABG-HGHGUNKESA-N	1	1	434.504	2.509	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2C1	ZINC001164857499	720880665	/nfs/dbraw/zinc/88/06/65/720880665.db2.gz	JUDUAAVPMNEXLK-AZUAARDMSA-N	1	1	427.505	2.534	20	5		IFBDMO
Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164755676	720885547	/nfs/dbraw/zinc/88/55/47/720885547.db2.gz	MMEIAASAIAWYOY-NZQKXSOJSA-N	1	1	438.532	2.843	20	5		IFBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866035	721055759	/nfs/dbraw/zinc/05/57/59/721055759.db2.gz	BUTZGGUNYYTTMQ-ZIAGYGMSSA-N	1	1	436.925	2.635	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3C2)cn1	ZINC001164761691	721107512	/nfs/dbraw/zinc/10/75/12/721107512.db2.gz	AHFPKGLOBBHTNP-KGLIPLIRSA-N	1	1	426.855	2.880	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@H]3C2)cn1	ZINC001164766171	721228478	/nfs/dbraw/zinc/22/84/78/721228478.db2.gz	SIGSIPWMPLNELC-ZWKOTPCHSA-N	1	1	437.479	2.883	20	5		IFBDMO
COc1cc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164778221	721346106	/nfs/dbraw/zinc/34/61/06/721346106.db2.gz	LHTVZPMUYLFGGP-OAQYLSRUSA-N	1	1	431.493	2.722	20	5		IFBDMO
COc1cc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164778221	721346109	/nfs/dbraw/zinc/34/61/09/721346109.db2.gz	LHTVZPMUYLFGGP-OAQYLSRUSA-N	1	1	431.493	2.722	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]2C[NH+](Cc3nccs3)C[C@@H]2C1	ZINC001164788468	721394100	/nfs/dbraw/zinc/39/41/00/721394100.db2.gz	SBYPAEBHEYSNGF-VXGBXAGGSA-N	1	1	437.909	2.845	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892965	721406619	/nfs/dbraw/zinc/40/66/19/721406619.db2.gz	ZOYUREJDJNIVKN-CVDCTZTESA-N	1	1	425.533	2.908	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)n1	ZINC001164794659	721504068	/nfs/dbraw/zinc/50/40/68/721504068.db2.gz	BQWYVPXZWXEAQR-UHFFFAOYSA-N	1	1	439.520	2.928	20	5		IFBDMO
COC(=O)c1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164908410	721696923	/nfs/dbraw/zinc/69/69/23/721696923.db2.gz	YZHSKUYCZRYVJU-FQEVSTJZSA-N	1	1	447.442	2.909	20	5		IFBDMO
COC(=O)c1ccnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904133	721709678	/nfs/dbraw/zinc/70/96/78/721709678.db2.gz	ADSVDXHEUIASEX-FQEVSTJZSA-N	1	1	447.442	2.909	20	5		IFBDMO
COC(=O)c1cnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1	ZINC001164908399	721750563	/nfs/dbraw/zinc/75/05/63/721750563.db2.gz	HSTKATAGANVBLO-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COC(=O)c1cnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c([N+](=O)[O-])c1	ZINC001164908399	721750567	/nfs/dbraw/zinc/75/05/67/721750567.db2.gz	HSTKATAGANVBLO-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)c1[N+](=O)[O-]	ZINC001165023494	721815240	/nfs/dbraw/zinc/81/52/40/721815240.db2.gz	HEKXYQVTRZSBDS-ZYSHUDEJSA-N	1	1	425.489	2.908	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165018753	721830488	/nfs/dbraw/zinc/83/04/88/721830488.db2.gz	AELAKDAADJNLFA-QXAKKESOSA-N	1	1	439.520	2.784	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165018755	721830939	/nfs/dbraw/zinc/83/09/39/721830939.db2.gz	AELAKDAADJNLFA-WDSOQIARSA-N	1	1	439.520	2.784	20	5		IFBDMO
O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164945913	721973268	/nfs/dbraw/zinc/97/32/68/721973268.db2.gz	UPVURDKBZKYQGI-UHFFFAOYSA-N	1	1	432.484	2.509	20	5		IFBDMO
O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164945913	721973269	/nfs/dbraw/zinc/97/32/69/721973269.db2.gz	UPVURDKBZKYQGI-UHFFFAOYSA-N	1	1	432.484	2.509	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1	ZINC001164982762	722108011	/nfs/dbraw/zinc/10/80/11/722108011.db2.gz	OVHAEOOBJPWCQK-KGLIPLIRSA-N	1	1	439.303	2.814	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@H+](Cc1cccs1)CCO2	ZINC001164695692	719887698	/nfs/dbraw/zinc/88/76/98/719887698.db2.gz	RDZXJFCGZLOPHE-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@@H+](Cc1cccs1)CCO2	ZINC001164695692	719887702	/nfs/dbraw/zinc/88/77/02/719887702.db2.gz	RDZXJFCGZLOPHE-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809735	720079851	/nfs/dbraw/zinc/07/98/51/720079851.db2.gz	JPRDBMIVNOSWDA-SCLBCKFNSA-N	1	1	427.958	2.945	20	5		IFBDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccccc3[N+](=O)[O-])nn1)CCC2	ZINC001164813445	720240690	/nfs/dbraw/zinc/24/06/90/720240690.db2.gz	OHBGZAYQJRHSOD-UHFFFAOYSA-N	1	1	449.515	2.859	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739992	720850885	/nfs/dbraw/zinc/85/08/85/720850885.db2.gz	BJZFSRGUAMCIBD-GUDVDZBRSA-N	1	1	441.536	2.748	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164855449	720867906	/nfs/dbraw/zinc/86/79/06/720867906.db2.gz	MOXAURGAPNFJQB-WIYYLYMNSA-N	1	1	427.505	2.534	20	5		IFBDMO
CCc1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865226	720881370	/nfs/dbraw/zinc/88/13/70/720881370.db2.gz	YYCCOPWSZOTXOV-RXVVDRJESA-N	1	1	441.532	2.788	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164863620	720884896	/nfs/dbraw/zinc/88/48/96/720884896.db2.gz	SWADUEGDRAARLD-UZLBHIALSA-N	1	1	447.923	2.879	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164863618	720884921	/nfs/dbraw/zinc/88/49/21/720884921.db2.gz	SWADUEGDRAARLD-OXQOHEQNSA-N	1	1	447.923	2.879	20	5		IFBDMO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164752381	720907015	/nfs/dbraw/zinc/90/70/15/720907015.db2.gz	OBKJEWJNXZNBEM-WMZHIEFXSA-N	1	1	438.532	2.722	20	5		IFBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866032	721054974	/nfs/dbraw/zinc/05/49/74/721054974.db2.gz	BUTZGGUNYYTTMQ-KBPBESRZSA-N	1	1	436.925	2.635	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866273	721067086	/nfs/dbraw/zinc/06/70/86/721067086.db2.gz	DLEQIBDEQZKKJT-CHWSQXEVSA-N	1	1	425.276	2.566	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164773163	721083057	/nfs/dbraw/zinc/08/30/57/721083057.db2.gz	WWJNMKVTBHSEPW-LSDHHAIUSA-N	1	1	448.911	2.512	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3C2)cn1	ZINC001164761057	721095909	/nfs/dbraw/zinc/09/59/09/721095909.db2.gz	ALRMNDSZBUZWDF-KBPBESRZSA-N	1	1	426.855	2.880	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164772204	721100289	/nfs/dbraw/zinc/10/02/89/721100289.db2.gz	UXSRHQZTODBKFC-HUUCEWRRSA-N	1	1	427.896	2.883	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772203	721100808	/nfs/dbraw/zinc/10/08/08/721100808.db2.gz	UXSRHQZTODBKFC-GJZGRUSLSA-N	1	1	427.896	2.883	20	5		IFBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nn1	ZINC001164876372	721162514	/nfs/dbraw/zinc/16/25/14/721162514.db2.gz	LXVHRWAQNKBVCX-RTBURBONSA-N	1	1	432.484	2.927	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1	ZINC001164766170	721229304	/nfs/dbraw/zinc/22/93/04/721229304.db2.gz	SIGSIPWMPLNELC-ROUUACIJSA-N	1	1	437.479	2.883	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2C[NH+](Cc3nccs3)C[C@H]2C1	ZINC001164788463	721394421	/nfs/dbraw/zinc/39/44/21/721394421.db2.gz	SBYPAEBHEYSNGF-RYUDHWBXSA-N	1	1	437.909	2.845	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888950	721405919	/nfs/dbraw/zinc/40/59/19/721405919.db2.gz	PSJKNWILRDAWKV-WZONZLPQSA-N	1	1	425.533	2.908	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888878	721439475	/nfs/dbraw/zinc/43/94/75/721439475.db2.gz	BCURMLCFNNYFDK-PGRDOPGGSA-N	1	1	433.553	2.542	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889698	721450796	/nfs/dbraw/zinc/45/07/96/721450796.db2.gz	PIUMOTMWNBPEAH-REWPJTCUSA-N	1	1	425.533	2.908	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164783251	721455269	/nfs/dbraw/zinc/45/52/69/721455269.db2.gz	AUOZFHLVTIHJJL-GOSISDBHSA-N	1	1	449.508	2.632	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164910213	721544062	/nfs/dbraw/zinc/54/40/62/721544062.db2.gz	SVXUNAFIZAJMSP-WMZOPIPTSA-N	1	1	430.436	2.648	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164905960	721563684	/nfs/dbraw/zinc/56/36/84/721563684.db2.gz	IGGSZJYXGBVLSI-RDJZCZTQSA-N	1	1	430.436	2.648	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164905956	721563755	/nfs/dbraw/zinc/56/37/55/721563755.db2.gz	IGGSZJYXGBVLSI-DOTOQJQBSA-N	1	1	430.436	2.648	20	5		IFBDMO
COc1cc(C)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164962313	722055396	/nfs/dbraw/zinc/05/53/96/722055396.db2.gz	CVNSEXUUGXXLBD-UHFFFAOYSA-N	1	1	427.505	2.821	20	5		IFBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812499	720118523	/nfs/dbraw/zinc/11/85/23/720118523.db2.gz	OTQHZVGJCBSKKE-OPAMFIHVSA-N	1	1	427.505	2.731	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164833762	720570271	/nfs/dbraw/zinc/57/02/71/720570271.db2.gz	BNTQDZBDIAWQBI-IMFGXOCKSA-N	1	1	442.520	2.741	20	5		IFBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746026	720803444	/nfs/dbraw/zinc/80/34/44/720803444.db2.gz	LLIVKCKUUVAFTB-ROUUACIJSA-N	1	1	436.447	2.928	20	5		IFBDMO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1	ZINC001164747401	720815032	/nfs/dbraw/zinc/81/50/32/720815032.db2.gz	NYSTWSJEAOCJFR-YRISNDGFSA-N	1	1	434.504	2.509	20	5		IFBDMO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl	ZINC001164743809	720822059	/nfs/dbraw/zinc/82/20/59/720822059.db2.gz	SMUDLVIBNWVECS-BRWVUGGUSA-N	1	1	431.928	2.923	20	5		IFBDMO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl	ZINC001164743810	720822083	/nfs/dbraw/zinc/82/20/83/720822083.db2.gz	SMUDLVIBNWVECS-GVDBMIGSSA-N	1	1	431.928	2.923	20	5		IFBDMO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744876	720856132	/nfs/dbraw/zinc/85/61/32/720856132.db2.gz	CQLAPYMQLDPODK-YQVWRLOYSA-N	1	1	434.504	2.509	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164855448	720867704	/nfs/dbraw/zinc/86/77/04/720867704.db2.gz	MOXAURGAPNFJQB-RXVVDRJESA-N	1	1	427.505	2.534	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@@H]2C1	ZINC001164855447	720867825	/nfs/dbraw/zinc/86/78/25/720867825.db2.gz	MOXAURGAPNFJQB-NQIIRXRSSA-N	1	1	427.505	2.534	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2C1	ZINC001164857505	720880571	/nfs/dbraw/zinc/88/05/71/720880571.db2.gz	JUDUAAVPMNEXLK-QUCCMNQESA-N	1	1	427.505	2.534	20	5		IFBDMO
Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)n1	ZINC001164755678	720885357	/nfs/dbraw/zinc/88/53/57/720885357.db2.gz	MMEIAASAIAWYOY-REWPJTCUSA-N	1	1	438.532	2.843	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@H]2C1	ZINC001164858225	720889313	/nfs/dbraw/zinc/88/93/13/720889313.db2.gz	KOPZYVOACJJNHP-FXAWDEMLSA-N	1	1	430.480	2.969	20	5		IFBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1	ZINC001164866033	721054347	/nfs/dbraw/zinc/05/43/47/721054347.db2.gz	BUTZGGUNYYTTMQ-KGLIPLIRSA-N	1	1	436.925	2.635	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3C2)cn1	ZINC001164769310	721077992	/nfs/dbraw/zinc/07/79/92/721077992.db2.gz	OLFXHAGFPOPKDC-UONOGXRCSA-N	1	1	426.855	2.880	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2)cn1	ZINC001164761064	721096622	/nfs/dbraw/zinc/09/66/22/721096622.db2.gz	ALRMNDSZBUZWDF-ZIAGYGMSSA-N	1	1	426.855	2.880	20	5		IFBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nn1	ZINC001164876371	721161987	/nfs/dbraw/zinc/16/19/87/721161987.db2.gz	LXVHRWAQNKBVCX-RBUKOAKNSA-N	1	1	432.484	2.927	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164768479	721203910	/nfs/dbraw/zinc/20/39/10/721203910.db2.gz	LEPWTJQBUIIJKV-NEPJUHHUSA-N	1	1	445.833	2.749	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4ccc(-c5ccc(F)c([N+](=O)[O-])c5)nn4)C[C@@H]3C2)cn1	ZINC001164766168	721228653	/nfs/dbraw/zinc/22/86/53/721228653.db2.gz	SIGSIPWMPLNELC-MSOLQXFVSA-N	1	1	437.479	2.883	20	5		IFBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1	ZINC001164779676	721343165	/nfs/dbraw/zinc/34/31/65/721343165.db2.gz	UVFIFFIJBMQEAD-FQEVSTJZSA-N	1	1	446.464	2.622	20	5		IFBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1	ZINC001164779676	721343171	/nfs/dbraw/zinc/34/31/71/721343171.db2.gz	UVFIFFIJBMQEAD-FQEVSTJZSA-N	1	1	446.464	2.622	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)n1	ZINC001164912293	721765937	/nfs/dbraw/zinc/76/59/37/721765937.db2.gz	XQPFVHVUAIOLPR-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)n1	ZINC001164912293	721765942	/nfs/dbraw/zinc/76/59/42/721765942.db2.gz	XQPFVHVUAIOLPR-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022672	721811530	/nfs/dbraw/zinc/81/15/30/721811530.db2.gz	GMXRTPCEKKMITM-XIRDDKMYSA-N	1	1	428.493	2.534	20	5		IFBDMO
CN(C)/C=C\c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977003	722138311	/nfs/dbraw/zinc/13/83/11/722138311.db2.gz	HNGNKOSSCYROJR-NTRZOVMUSA-N	1	1	438.532	2.644	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980286	722146194	/nfs/dbraw/zinc/14/61/94/722146194.db2.gz	MNEGFGRQWAFHDF-QUCCMNQESA-N	1	1	427.505	2.899	20	5		IFBDMO
COC(=O)c1ccnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-]	ZINC001164696173	719893312	/nfs/dbraw/zinc/89/33/12/719893312.db2.gz	ALDNARJDRDWHKJ-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c1[N+](=O)[O-]	ZINC001164696173	719893315	/nfs/dbraw/zinc/89/33/15/719893315.db2.gz	ALDNARJDRDWHKJ-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164712084	720104088	/nfs/dbraw/zinc/10/40/88/720104088.db2.gz	VFCLZXRKEYSERI-GOSISDBHSA-N	1	1	427.505	2.901	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164716320	720115533	/nfs/dbraw/zinc/11/55/33/720115533.db2.gz	KHDHJMZVGSTPRR-GOSISDBHSA-N	1	1	427.505	2.901	20	5		IFBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812497	720118880	/nfs/dbraw/zinc/11/88/80/720118880.db2.gz	OTQHZVGJCBSKKE-AOMKIAJQSA-N	1	1	427.505	2.731	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2	ZINC001164719116	720119961	/nfs/dbraw/zinc/11/99/61/720119961.db2.gz	WJRZVQLOYYEXKL-KRWDZBQOSA-N	1	1	447.923	2.784	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cccn3)[N@H+]2C(C)C)C1	ZINC001164833759	720571008	/nfs/dbraw/zinc/57/10/08/720571008.db2.gz	BNTQDZBDIAWQBI-ILZDJORESA-N	1	1	442.520	2.741	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836155	720633672	/nfs/dbraw/zinc/63/36/72/720633672.db2.gz	DWPWNKVINCSDIP-JENIJYKNSA-N	1	1	442.520	2.741	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836161	720634555	/nfs/dbraw/zinc/63/45/55/720634555.db2.gz	DWPWNKVINCSDIP-ZIFCJYIRSA-N	1	1	442.520	2.741	20	5		IFBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)n1	ZINC001164844905	720690749	/nfs/dbraw/zinc/69/07/49/720690749.db2.gz	WDLGAGUIVJWTRL-GOSISDBHSA-N	1	1	427.505	2.962	20	5		IFBDMO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cnc2c1	ZINC001164737408	720817363	/nfs/dbraw/zinc/81/73/63/720817363.db2.gz	AYBARWRXHHRONP-PLMTUMEDSA-N	1	1	434.504	2.509	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745606	720824873	/nfs/dbraw/zinc/82/48/73/720824873.db2.gz	XEGSRDNGMPGABG-DJPFJPOOSA-N	1	1	434.504	2.509	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739991	720850737	/nfs/dbraw/zinc/85/07/37/720850737.db2.gz	BJZFSRGUAMCIBD-GBESFXJTSA-N	1	1	441.536	2.748	20	5		IFBDMO
Cc1ncc([N+](=O)[O-])c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164755677	720885717	/nfs/dbraw/zinc/88/57/17/720885717.db2.gz	MMEIAASAIAWYOY-OFNKIYASSA-N	1	1	438.532	2.843	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164768494	721204354	/nfs/dbraw/zinc/20/43/54/721204354.db2.gz	LEPWTJQBUIIJKV-VXGBXAGGSA-N	1	1	445.833	2.749	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888945	721405557	/nfs/dbraw/zinc/40/55/57/721405557.db2.gz	PSJKNWILRDAWKV-JPYJTQIMSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888943	721405965	/nfs/dbraw/zinc/40/59/65/721405965.db2.gz	PSJKNWILRDAWKV-FDDCHVKYSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890216	721429434	/nfs/dbraw/zinc/42/94/34/721429434.db2.gz	CKHULRQKDBYRPV-NFBKMPQASA-N	1	1	425.533	2.908	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164785978	721453853	/nfs/dbraw/zinc/45/38/53/721453853.db2.gz	KRIPLOKPEDIXME-GOSISDBHSA-N	1	1	434.537	2.732	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164910210	721543819	/nfs/dbraw/zinc/54/38/19/721543819.db2.gz	SVXUNAFIZAJMSP-SJLPKXTDSA-N	1	1	430.436	2.648	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC(F)(F)[C@@]2(CC[N@@H+](Cc3ccccn3)C2)C1	ZINC001164908016	721586385	/nfs/dbraw/zinc/58/63/85/721586385.db2.gz	YBDJSRMMUHIPAE-HXUWFJFHSA-N	1	1	447.442	2.909	20	5		IFBDMO
COc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022668	721811480	/nfs/dbraw/zinc/81/14/80/721811480.db2.gz	GMXRTPCEKKMITM-UAGQMJEPSA-N	1	1	428.493	2.534	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165020740	721831927	/nfs/dbraw/zinc/83/19/27/721831927.db2.gz	DNYZQVFLTGGEHI-WDYCEAGBSA-N	1	1	425.489	2.908	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)n1	ZINC001164957346	722024589	/nfs/dbraw/zinc/02/45/89/722024589.db2.gz	AYBWLECXRLXPFR-UHFFFAOYSA-N	1	1	425.493	2.539	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982764	722107848	/nfs/dbraw/zinc/10/78/48/722107848.db2.gz	OVHAEOOBJPWCQK-ZIAGYGMSSA-N	1	1	439.303	2.814	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980284	722146743	/nfs/dbraw/zinc/14/67/43/722146743.db2.gz	MNEGFGRQWAFHDF-AZUAARDMSA-N	1	1	427.505	2.899	20	5		IFBDMO
COC(=O)c1nc(Cl)nc(N2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-]	ZINC001164627275	719063959	/nfs/dbraw/zinc/06/39/59/719063959.db2.gz	QFXBAYHGZCLHEM-LSDHHAIUSA-N	1	1	431.880	2.926	20	5		IFBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809734	720079178	/nfs/dbraw/zinc/07/91/78/720079178.db2.gz	JPRDBMIVNOSWDA-FZKQIMNGSA-N	1	1	427.958	2.945	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164709620	720095134	/nfs/dbraw/zinc/09/51/34/720095134.db2.gz	BMCYXPYKNTULEW-INIZCTEOSA-N	1	1	432.912	2.941	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164719529	720118007	/nfs/dbraw/zinc/11/80/07/720118007.db2.gz	YIKXJZGXKMFWFH-GOSISDBHSA-N	1	1	442.520	2.604	20	5		IFBDMO
CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1ccc(-c3ccc([N+](=O)[O-])cc3)nn1)CCC2	ZINC001164813457	720235135	/nfs/dbraw/zinc/23/51/35/720235135.db2.gz	OKJPNIFBVIZTEA-UHFFFAOYSA-N	1	1	449.515	2.859	20	5		IFBDMO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164738822	720822610	/nfs/dbraw/zinc/82/26/10/720822610.db2.gz	GVPMBVGVSREGLW-JFIYKMOQSA-N	1	1	431.928	2.923	20	5		IFBDMO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744883	720856053	/nfs/dbraw/zinc/85/60/53/720856053.db2.gz	CQLAPYMQLDPODK-ZIFCJYIRSA-N	1	1	434.504	2.509	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@H]3C2)cn1	ZINC001164762290	721100227	/nfs/dbraw/zinc/10/02/27/721100227.db2.gz	DUAHCOOUUXENRG-HUUCEWRRSA-N	1	1	427.896	2.883	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3C2)cn1	ZINC001164761693	721106698	/nfs/dbraw/zinc/10/66/98/721106698.db2.gz	AHFPKGLOBBHTNP-ZIAGYGMSSA-N	1	1	426.855	2.880	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]3C2)cn1	ZINC001164761690	721107117	/nfs/dbraw/zinc/10/71/17/721107117.db2.gz	AHFPKGLOBBHTNP-KBPBESRZSA-N	1	1	426.855	2.880	20	5		IFBDMO
COc1cnc(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1	ZINC001164779726	721347970	/nfs/dbraw/zinc/34/79/70/721347970.db2.gz	UZJKDILBZHVCGX-OAQYLSRUSA-N	1	1	431.493	2.722	20	5		IFBDMO
COc1cnc(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1	ZINC001164779726	721347974	/nfs/dbraw/zinc/34/79/74/721347974.db2.gz	UZJKDILBZHVCGX-OAQYLSRUSA-N	1	1	431.493	2.722	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890395	721408718	/nfs/dbraw/zinc/40/87/18/721408718.db2.gz	SLGKCKPRQHYLJD-MBSDFSHPSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890217	721429029	/nfs/dbraw/zinc/42/90/29/721429029.db2.gz	CKHULRQKDBYRPV-NZQKXSOJSA-N	1	1	425.533	2.908	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888881	721439668	/nfs/dbraw/zinc/43/96/68/721439668.db2.gz	BCURMLCFNNYFDK-XMSQKQJNSA-N	1	1	433.553	2.542	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888873	721439807	/nfs/dbraw/zinc/43/98/07/721439807.db2.gz	BCURMLCFNNYFDK-GCJKJVERSA-N	1	1	433.553	2.542	20	5		IFBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164907411	721703418	/nfs/dbraw/zinc/70/34/18/721703418.db2.gz	RPPMMFGYKVPDLZ-LJQANCHMSA-N	1	1	434.447	2.835	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(C[N@H+](C)Cc3ccco3)cncc2C1	ZINC001164908478	721746934	/nfs/dbraw/zinc/74/69/34/721746934.db2.gz	KGYGMBSBEQFBDX-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCc2c(C[N@@H+](C)Cc3ccco3)cncc2C1	ZINC001164908478	721746945	/nfs/dbraw/zinc/74/69/45/721746945.db2.gz	KGYGMBSBEQFBDX-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COC(=O)c1ccnc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-]	ZINC001164909037	721755982	/nfs/dbraw/zinc/75/59/82/721755982.db2.gz	DGHMYCXZKJCEBV-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COC(=O)c1ccnc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)c1[N+](=O)[O-]	ZINC001164909037	721755985	/nfs/dbraw/zinc/75/59/85/721755985.db2.gz	DGHMYCXZKJCEBV-UHFFFAOYSA-N	1	1	437.456	2.959	20	5		IFBDMO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165023490	721815361	/nfs/dbraw/zinc/81/53/61/721815361.db2.gz	HEKXYQVTRZSBDS-KFKAGJAMSA-N	1	1	425.489	2.908	20	5		IFBDMO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2c(Cl)[n+]([O-])ccc2[N+](=O)[O-])CC1	ZINC001165023403	721841194	/nfs/dbraw/zinc/84/11/94/721841194.db2.gz	ZSWVCOMKPINMKV-UHFFFAOYSA-N	1	1	436.896	3.000	20	5		IFBDMO
COC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c([N+](=O)[O-])c1	ZINC001164941034	721923767	/nfs/dbraw/zinc/92/37/67/721923767.db2.gz	ZDDIBMHFGGABPC-UHFFFAOYSA-N	1	1	440.500	2.956	20	5		IFBDMO
COC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1[N+](=O)[O-]	ZINC001164627268	719064224	/nfs/dbraw/zinc/06/42/24/719064224.db2.gz	QFXBAYHGZCLHEM-CABCVRRESA-N	1	1	431.880	2.926	20	5		IFBDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc([N+](=O)[O-])c(-c3ccc(F)cc3)n1)CC2	ZINC001164690096	719754964	/nfs/dbraw/zinc/75/49/64/719754964.db2.gz	SLOPTUBJVSZGLI-UHFFFAOYSA-N	1	1	427.480	2.977	20	5		IFBDMO
COc1nc(N2CCC3(CCC[N@H+]3Cc3csc(C)n3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164693733	719808395	/nfs/dbraw/zinc/80/83/95/719808395.db2.gz	QXOQKYMXEDGUJF-UHFFFAOYSA-N	1	1	434.522	2.802	20	5		IFBDMO
COC(=O)c1cnc(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1	ZINC001164694882	719889687	/nfs/dbraw/zinc/88/96/87/719889687.db2.gz	GUARONXRAJJKMW-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC(=O)c1cnc(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)c([N+](=O)[O-])c1	ZINC001164694882	719889688	/nfs/dbraw/zinc/88/96/88/719889688.db2.gz	GUARONXRAJJKMW-UHFFFAOYSA-N	1	1	432.502	2.709	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164709622	720095764	/nfs/dbraw/zinc/09/57/64/720095764.db2.gz	BMCYXPYKNTULEW-MRXNPFEDSA-N	1	1	432.912	2.941	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1nc(OC)nc(C)c1[N+](=O)[O-])CC2	ZINC001164719530	720117945	/nfs/dbraw/zinc/11/79/45/720117945.db2.gz	YIKXJZGXKMFWFH-SFHVURJKSA-N	1	1	442.520	2.604	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])CC2	ZINC001164719117	720120847	/nfs/dbraw/zinc/12/08/47/720120847.db2.gz	WJRZVQLOYYEXKL-QGZVFWFLSA-N	1	1	447.923	2.784	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@@H]4C3)ccc21	ZINC001164736848	720716115	/nfs/dbraw/zinc/71/61/15/720716115.db2.gz	BPLCKEXLZLRUDG-ZIAGYGMSSA-N	1	1	426.864	2.928	20	5		IFBDMO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cnc2c1	ZINC001164737407	720817441	/nfs/dbraw/zinc/81/74/41/720817441.db2.gz	AYBARWRXHHRONP-HGHGUNKESA-N	1	1	434.504	2.509	20	5		IFBDMO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744871	720856203	/nfs/dbraw/zinc/85/62/03/720856203.db2.gz	CQLAPYMQLDPODK-JENIJYKNSA-N	1	1	434.504	2.509	20	5		IFBDMO
CCc1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865224	720881293	/nfs/dbraw/zinc/88/12/93/720881293.db2.gz	YYCCOPWSZOTXOV-NQIIRXRSSA-N	1	1	441.532	2.788	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1	ZINC001164773154	721083383	/nfs/dbraw/zinc/08/33/83/721083383.db2.gz	WWJNMKVTBHSEPW-CABCVRRESA-N	1	1	448.911	2.512	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]3C2)cn1	ZINC001164761059	721095525	/nfs/dbraw/zinc/09/55/25/721095525.db2.gz	ALRMNDSZBUZWDF-KGLIPLIRSA-N	1	1	426.855	2.880	20	5		IFBDMO
CSc1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164863857	721097517	/nfs/dbraw/zinc/09/75/17/721097517.db2.gz	DHVCAEDOYOJIQG-UONOGXRCSA-N	1	1	436.925	2.635	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164785979	721454124	/nfs/dbraw/zinc/45/41/24/721454124.db2.gz	KRIPLOKPEDIXME-SFHVURJKSA-N	1	1	434.537	2.732	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164905961	721563122	/nfs/dbraw/zinc/56/31/22/721563122.db2.gz	IGGSZJYXGBVLSI-WBVHZDCISA-N	1	1	430.436	2.648	20	5		IFBDMO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1	ZINC001165009355	721730269	/nfs/dbraw/zinc/73/02/69/721730269.db2.gz	WUJAFDRITPKRNW-UHFFFAOYSA-N	1	1	431.871	2.711	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1	ZINC001164913491	721800978	/nfs/dbraw/zinc/80/09/78/721800978.db2.gz	DTTXIMMFGCGGQC-QHCPKHFHSA-N	1	1	435.484	2.646	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1	ZINC001164913491	721800979	/nfs/dbraw/zinc/80/09/79/721800979.db2.gz	DTTXIMMFGCGGQC-QHCPKHFHSA-N	1	1	435.484	2.646	20	5		IFBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809733	720079264	/nfs/dbraw/zinc/07/92/64/720079264.db2.gz	JPRDBMIVNOSWDA-ACJLOTCBSA-N	1	1	427.958	2.945	20	5		IFBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(SC)nc(Cl)c1[N+](=O)[O-])C2	ZINC001164809736	720080029	/nfs/dbraw/zinc/08/00/29/720080029.db2.gz	JPRDBMIVNOSWDA-UGSOOPFHSA-N	1	1	427.958	2.945	20	5		IFBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812500	720118509	/nfs/dbraw/zinc/11/85/09/720118509.db2.gz	OTQHZVGJCBSKKE-ZHRRBRCNSA-N	1	1	427.505	2.731	20	5		IFBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746025	720803542	/nfs/dbraw/zinc/80/35/42/720803542.db2.gz	LLIVKCKUUVAFTB-QZTJIDSGSA-N	1	1	436.447	2.928	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@H]2C1	ZINC001164857502	720880553	/nfs/dbraw/zinc/88/05/53/720880553.db2.gz	JUDUAAVPMNEXLK-ICSRJNTNSA-N	1	1	427.505	2.534	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@@H]2C1	ZINC001164858233	720889667	/nfs/dbraw/zinc/88/96/67/720889667.db2.gz	KOPZYVOACJJNHP-XLIONFOSSA-N	1	1	430.480	2.969	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]3C2)cn1	ZINC001164769316	721077443	/nfs/dbraw/zinc/07/74/43/721077443.db2.gz	OLFXHAGFPOPKDC-ZIAGYGMSSA-N	1	1	426.855	2.880	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]3C2)cn1	ZINC001164761061	721095611	/nfs/dbraw/zinc/09/56/11/721095611.db2.gz	ALRMNDSZBUZWDF-UONOGXRCSA-N	1	1	426.855	2.880	20	5		IFBDMO
CSc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1[N+](=O)[O-]	ZINC001164863832	721098013	/nfs/dbraw/zinc/09/80/13/721098013.db2.gz	DHVCAEDOYOJIQG-KBPBESRZSA-N	1	1	436.925	2.635	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc5ncnc(Cl)c5cc4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164772202	721101538	/nfs/dbraw/zinc/10/15/38/721101538.db2.gz	UXSRHQZTODBKFC-CABCVRRESA-N	1	1	427.896	2.883	20	5		IFBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nn1	ZINC001164876369	721163073	/nfs/dbraw/zinc/16/30/73/721163073.db2.gz	LXVHRWAQNKBVCX-MOPGFXCFSA-N	1	1	432.484	2.927	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@@H]3C2)cn1	ZINC001164768489	721203782	/nfs/dbraw/zinc/20/37/82/721203782.db2.gz	LEPWTJQBUIIJKV-RYUDHWBXSA-N	1	1	445.833	2.749	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5ccc([N+](=O)[O-])cc54)C3)O2)CC1	ZINC001164890218	721429573	/nfs/dbraw/zinc/42/95/73/721429573.db2.gz	CKHULRQKDBYRPV-OFNKIYASSA-N	1	1	425.533	2.908	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164784094	721458364	/nfs/dbraw/zinc/45/83/64/721458364.db2.gz	GUJSUTNYTMOXBU-GOSISDBHSA-N	1	1	434.537	2.732	20	5		IFBDMO
COc1nc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164792017	721495532	/nfs/dbraw/zinc/49/55/32/721495532.db2.gz	JUZYUVHPBBNHKF-UHFFFAOYSA-N	1	1	428.493	2.678	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164905958	721563696	/nfs/dbraw/zinc/56/36/96/721563696.db2.gz	IGGSZJYXGBVLSI-NVXWUHKLSA-N	1	1	430.436	2.648	20	5		IFBDMO
CN(C)/C=C/c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-]	ZINC001164804680	721575638	/nfs/dbraw/zinc/57/56/38/721575638.db2.gz	LZAKJCWYYPNHCD-ICRDGIFZSA-N	1	1	438.532	2.785	20	5		IFBDMO
CN(C)/C=C/c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-]	ZINC001164804680	721575643	/nfs/dbraw/zinc/57/56/43/721575643.db2.gz	LZAKJCWYYPNHCD-ICRDGIFZSA-N	1	1	438.532	2.785	20	5		IFBDMO
COC(=O)c1ccnc(N(C)C2CC[NH+](Cc3c(OC)cccc3OC)CC2)c1[N+](=O)[O-]	ZINC001165023241	721841703	/nfs/dbraw/zinc/84/17/03/721841703.db2.gz	YXMCIXLFLMGHAO-UHFFFAOYSA-N	1	1	444.488	2.894	20	5		IFBDMO
O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164950436	721980797	/nfs/dbraw/zinc/98/07/97/721980797.db2.gz	ULLMYSCEIOFZOK-UHFFFAOYSA-N	1	1	432.484	2.509	20	5		IFBDMO
O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3cccc([N+](=O)[O-])c31)CC2	ZINC001164950436	721980799	/nfs/dbraw/zinc/98/07/99/721980799.db2.gz	ULLMYSCEIOFZOK-UHFFFAOYSA-N	1	1	432.484	2.509	20	5		IFBDMO
C[NH+]1CCN(c2ncnc3c2CCN(c2ccc4ccc5cccnc5c4n2)CC3)CC1	ZINC001164997705	722231349	/nfs/dbraw/zinc/23/13/49/722231349.db2.gz	TXLYVABLEJVDBY-UHFFFAOYSA-N	1	1	425.540	2.930	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164719500	720107086	/nfs/dbraw/zinc/10/70/86/720107086.db2.gz	XNYUZWHHLJTZAN-GOSISDBHSA-N	1	1	442.476	2.801	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(OC)cc1[N+](=O)[O-])CC2	ZINC001164716325	720115292	/nfs/dbraw/zinc/11/52/92/720115292.db2.gz	KHDHJMZVGSTPRR-SFHVURJKSA-N	1	1	427.505	2.901	20	5		IFBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811087	720124366	/nfs/dbraw/zinc/12/43/66/720124366.db2.gz	LHKSPDFFZVVZOZ-SCLBCKFNSA-N	1	1	427.958	2.945	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@H](Oc5cncnc5)C[C@H]4C3)ccc21	ZINC001164736847	720717760	/nfs/dbraw/zinc/71/77/60/720717760.db2.gz	BPLCKEXLZLRUDG-UONOGXRCSA-N	1	1	426.864	2.928	20	5		IFBDMO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164738824	720822833	/nfs/dbraw/zinc/82/28/33/720822833.db2.gz	GVPMBVGVSREGLW-SOLBZPMBSA-N	1	1	431.928	2.923	20	5		IFBDMO
Nc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749632	720895670	/nfs/dbraw/zinc/89/56/70/720895670.db2.gz	ALXGSUNKFKBSJW-WMZHIEFXSA-N	1	1	438.532	2.722	20	5		IFBDMO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@H]2COCc1cccnc1	ZINC001164752379	720907229	/nfs/dbraw/zinc/90/72/29/720907229.db2.gz	OBKJEWJNXZNBEM-CVDCTZTESA-N	1	1	438.532	2.722	20	5		IFBDMO
O=[N+]([O-])c1ccc(-c2ccc(N3CC[N@H+]4C[C@H](OCc5cccnc5)C[C@@H]4C3)nn2)cc1	ZINC001164869787	721138770	/nfs/dbraw/zinc/13/87/70/721138770.db2.gz	BNROCQINOUIDCO-NHCUHLMSSA-N	1	1	432.484	2.927	20	5		IFBDMO
O=[N+]([O-])c1ccccc1-c1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nn1	ZINC001164876370	721163174	/nfs/dbraw/zinc/16/31/74/721163174.db2.gz	LXVHRWAQNKBVCX-OALUTQOASA-N	1	1	432.484	2.927	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888235	721401473	/nfs/dbraw/zinc/40/14/73/721401473.db2.gz	NRHVFKUVMQYLLK-NZQKXSOJSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc([N+](=O)[O-])c5ccccc54)C3)O2)CC1	ZINC001164888948	721405602	/nfs/dbraw/zinc/40/56/02/721405602.db2.gz	PSJKNWILRDAWKV-MBSDFSHPSA-N	1	1	425.533	2.908	20	5		IFBDMO
CN(C)/C=C\c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-]	ZINC001164804681	721575135	/nfs/dbraw/zinc/57/51/35/721575135.db2.gz	LZAKJCWYYPNHCD-SKBRHLLISA-N	1	1	438.532	2.785	20	5		IFBDMO
CN(C)/C=C\c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-]	ZINC001164804681	721575138	/nfs/dbraw/zinc/57/51/38/721575138.db2.gz	LZAKJCWYYPNHCD-SKBRHLLISA-N	1	1	438.532	2.785	20	5		IFBDMO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1	ZINC001165011645	721734091	/nfs/dbraw/zinc/73/40/91/721734091.db2.gz	UHSZMMWTUCDWCM-UHFFFAOYSA-N	1	1	431.871	2.711	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164909686	721738779	/nfs/dbraw/zinc/73/87/79/721738779.db2.gz	CYZJIRACGWQZEF-FQEVSTJZSA-N	1	1	447.442	2.909	20	5		IFBDMO
COc1nc(N2CCc3c(C[N@H+](C)Cc4ccco4)cncc3C2)nc(OC)c1[N+](=O)[O-]	ZINC001164910768	721754088	/nfs/dbraw/zinc/75/40/88/721754088.db2.gz	RKYQLLGKNJNBGO-UHFFFAOYSA-N	1	1	440.460	2.585	20	5		IFBDMO
COc1nc(N2CCc3c(C[N@@H+](C)Cc4ccco4)cncc3C2)nc(OC)c1[N+](=O)[O-]	ZINC001164910768	721754090	/nfs/dbraw/zinc/75/40/90/721754090.db2.gz	RKYQLLGKNJNBGO-UHFFFAOYSA-N	1	1	440.460	2.585	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165018757	721831000	/nfs/dbraw/zinc/83/10/00/721831000.db2.gz	AELAKDAADJNLFA-YTQUADARSA-N	1	1	439.520	2.784	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165018754	721831060	/nfs/dbraw/zinc/83/10/60/721831060.db2.gz	AELAKDAADJNLFA-UHOSZYNNSA-N	1	1	439.520	2.784	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980285	722146396	/nfs/dbraw/zinc/14/63/96/722146396.db2.gz	MNEGFGRQWAFHDF-ICSRJNTNSA-N	1	1	427.505	2.899	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@H+](Cc2cccs2)CCO3)n1	ZINC001164706914	719907614	/nfs/dbraw/zinc/90/76/14/719907614.db2.gz	LSHOSDJOKHWYMR-UHFFFAOYSA-N	1	1	446.533	2.585	20	5		IFBDMO
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2cccs2)CCO3)n1	ZINC001164706914	719907627	/nfs/dbraw/zinc/90/76/27/719907627.db2.gz	LSHOSDJOKHWYMR-UHFFFAOYSA-N	1	1	446.533	2.585	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ccc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164712087	720104647	/nfs/dbraw/zinc/10/46/47/720104647.db2.gz	VFCLZXRKEYSERI-SFHVURJKSA-N	1	1	427.505	2.901	20	5		IFBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811088	720125157	/nfs/dbraw/zinc/12/51/57/720125157.db2.gz	LHKSPDFFZVVZOZ-UGSOOPFHSA-N	1	1	427.958	2.945	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2	ZINC001164717379	720127260	/nfs/dbraw/zinc/12/72/60/720127260.db2.gz	OCSBZYWSHMXSQR-SFHVURJKSA-N	1	1	447.923	2.784	20	5		IFBDMO
CC(C)Oc1nc(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)ccc1[N+](=O)[O-]	ZINC001164813483	720240249	/nfs/dbraw/zinc/24/02/49/720240249.db2.gz	OUFIBZOGQOUYNR-UHFFFAOYSA-N	1	1	430.509	2.584	20	5		IFBDMO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164738825	720822517	/nfs/dbraw/zinc/82/25/17/720822517.db2.gz	GVPMBVGVSREGLW-XYJFISCASA-N	1	1	431.928	2.923	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)nc(-c4ccc([N+](=O)[O-])cc4)n3)CC[C@@H]2C1	ZINC001164857507	720880672	/nfs/dbraw/zinc/88/06/72/720880672.db2.gz	JUDUAAVPMNEXLK-UYAOXDASSA-N	1	1	427.505	2.534	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3C2)cn1	ZINC001164769299	721077613	/nfs/dbraw/zinc/07/76/13/721077613.db2.gz	OLFXHAGFPOPKDC-KBPBESRZSA-N	1	1	426.855	2.880	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@H]3C2)cn1	ZINC001164769705	721246177	/nfs/dbraw/zinc/24/61/77/721246177.db2.gz	ZFLOPXAEFGKLAN-LSDHHAIUSA-N	1	1	427.896	2.883	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890392	721407972	/nfs/dbraw/zinc/40/79/72/721407972.db2.gz	SLGKCKPRQHYLJD-JPYJTQIMSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889696	721451009	/nfs/dbraw/zinc/45/10/09/721451009.db2.gz	PIUMOTMWNBPEAH-NZQKXSOJSA-N	1	1	425.533	2.908	20	5		IFBDMO
COc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc(OC)c1[N+](=O)[O-]	ZINC001165022667	721811641	/nfs/dbraw/zinc/81/16/41/721811641.db2.gz	GMXRTPCEKKMITM-BHYGNILZSA-N	1	1	428.493	2.534	20	5		IFBDMO
COC(=O)c1nc(Cl)nc(N2CCC3(CC[N@@H+](Cc4cccnc4)C3)CC2)c1[N+](=O)[O-]	ZINC001164953710	722014775	/nfs/dbraw/zinc/01/47/75/722014775.db2.gz	XJNBOEKIORWKGT-UHFFFAOYSA-N	1	1	446.895	2.712	20	5		IFBDMO
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)n1	ZINC001164959627	722053434	/nfs/dbraw/zinc/05/34/34/722053434.db2.gz	NJMPJABXUCXMPG-UHFFFAOYSA-N	1	1	432.912	2.861	20	5		IFBDMO
CNC(=O)C[N@H+]1CCCC12CCN(c1ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)nn1)CC2	ZINC001164689848	719751419	/nfs/dbraw/zinc/75/14/19/719751419.db2.gz	LVWYOEMGAIFQDM-UHFFFAOYSA-N	1	1	444.923	2.886	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc([N+](=O)[O-])cc(Cl)[n+]1[O-])CC2	ZINC001164717378	720126800	/nfs/dbraw/zinc/12/68/00/720126800.db2.gz	OCSBZYWSHMXSQR-GOSISDBHSA-N	1	1	447.923	2.784	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836159	720634665	/nfs/dbraw/zinc/63/46/65/720634665.db2.gz	DWPWNKVINCSDIP-ZHALLVOQSA-N	1	1	442.520	2.741	20	5		IFBDMO
CCc1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740488	720782088	/nfs/dbraw/zinc/78/20/88/720782088.db2.gz	LJXOFGANFSUKPT-PMACEKPBSA-N	1	1	447.499	2.746	20	5		IFBDMO
O=[N+]([O-])c1ccc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1-c1ccc(F)cc1	ZINC001164746023	720803826	/nfs/dbraw/zinc/80/38/26/720803826.db2.gz	LLIVKCKUUVAFTB-MSOLQXFVSA-N	1	1	436.447	2.928	20	5		IFBDMO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1	ZINC001164747398	720815241	/nfs/dbraw/zinc/81/52/41/720815241.db2.gz	NYSTWSJEAOCJFR-PLMTUMEDSA-N	1	1	434.504	2.509	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164855446	720867475	/nfs/dbraw/zinc/86/74/75/720867475.db2.gz	MOXAURGAPNFJQB-GHTZIAJQSA-N	1	1	427.505	2.534	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164863613	720884711	/nfs/dbraw/zinc/88/47/11/720884711.db2.gz	SWADUEGDRAARLD-JXFKEZNVSA-N	1	1	447.923	2.879	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)nn3)CC[C@H]2C1	ZINC001164863616	720884834	/nfs/dbraw/zinc/88/48/34/720884834.db2.gz	SWADUEGDRAARLD-OXJNMPFZSA-N	1	1	447.923	2.879	20	5		IFBDMO
Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755029	720929575	/nfs/dbraw/zinc/92/95/75/720929575.db2.gz	XVUOVVFSAVKZEE-REWPJTCUSA-N	1	1	438.532	2.843	20	5		IFBDMO
Cc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755023	720929602	/nfs/dbraw/zinc/92/96/02/720929602.db2.gz	XVUOVVFSAVKZEE-NFBKMPQASA-N	1	1	438.532	2.843	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@@H]2C1	ZINC001164866274	721067308	/nfs/dbraw/zinc/06/73/08/721067308.db2.gz	DLEQIBDEQZKKJT-OLZOCXBDSA-N	1	1	425.276	2.566	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1	ZINC001164773159	721083141	/nfs/dbraw/zinc/08/31/41/721083141.db2.gz	WWJNMKVTBHSEPW-GJZGRUSLSA-N	1	1	448.911	2.512	20	5		IFBDMO
CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3ccc4ccc5cccnc5c4n3)CC2)C1	ZINC001164869862	721267296	/nfs/dbraw/zinc/26/72/96/721267296.db2.gz	QXEKSEPRFCMAAU-UHFFFAOYSA-N	1	1	433.556	2.790	20	5		IFBDMO
COc1cc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164778220	721346350	/nfs/dbraw/zinc/34/63/50/721346350.db2.gz	LHTVZPMUYLFGGP-NRFANRHFSA-N	1	1	431.493	2.722	20	5		IFBDMO
COc1cc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)ncc1[N+](=O)[O-]	ZINC001164778220	721346356	/nfs/dbraw/zinc/34/63/56/721346356.db2.gz	LHTVZPMUYLFGGP-NRFANRHFSA-N	1	1	431.493	2.722	20	5		IFBDMO
COc1cnc(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1	ZINC001164779725	721347609	/nfs/dbraw/zinc/34/76/09/721347609.db2.gz	UZJKDILBZHVCGX-NRFANRHFSA-N	1	1	431.493	2.722	20	5		IFBDMO
COc1cnc(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c([N+](=O)[O-])c1	ZINC001164779725	721347615	/nfs/dbraw/zinc/34/76/15/721347615.db2.gz	UZJKDILBZHVCGX-NRFANRHFSA-N	1	1	431.493	2.722	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889695	721450866	/nfs/dbraw/zinc/45/08/66/721450866.db2.gz	PIUMOTMWNBPEAH-NFBKMPQASA-N	1	1	425.533	2.908	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164783254	721455197	/nfs/dbraw/zinc/45/51/97/721455197.db2.gz	AUOZFHLVTIHJJL-SFHVURJKSA-N	1	1	449.508	2.632	20	5		IFBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12	ZINC001164806601	721541631	/nfs/dbraw/zinc/54/16/31/721541631.db2.gz	PBBSCCVEKIFTIH-GUTXKFCHSA-N	1	1	439.303	2.955	20	5		IFBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@H]2CCCO[C@H]12	ZINC001164806601	721541640	/nfs/dbraw/zinc/54/16/40/721541640.db2.gz	PBBSCCVEKIFTIH-GUTXKFCHSA-N	1	1	439.303	2.955	20	5		IFBDMO
CN(C)/C=C/c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-]	ZINC001164804683	721575484	/nfs/dbraw/zinc/57/54/84/721575484.db2.gz	LZAKJCWYYPNHCD-XSYKVQNESA-N	1	1	438.532	2.785	20	5		IFBDMO
CN(C)/C=C/c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ncc1[N+](=O)[O-]	ZINC001164804683	721575487	/nfs/dbraw/zinc/57/54/87/721575487.db2.gz	LZAKJCWYYPNHCD-XSYKVQNESA-N	1	1	438.532	2.785	20	5		IFBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164907407	721704306	/nfs/dbraw/zinc/70/43/06/721704306.db2.gz	RPPMMFGYKVPDLZ-IBGZPJMESA-N	1	1	434.447	2.835	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)n1	ZINC001164909689	721738025	/nfs/dbraw/zinc/73/80/25/721738025.db2.gz	CYZJIRACGWQZEF-HXUWFJFHSA-N	1	1	447.442	2.909	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)n1	ZINC001165020736	721831769	/nfs/dbraw/zinc/83/17/69/721831769.db2.gz	DNYZQVFLTGGEHI-VDZJLULYSA-N	1	1	425.489	2.908	20	5		IFBDMO
COc1nc(C)c([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1	ZINC001164940522	721925784	/nfs/dbraw/zinc/92/57/84/721925784.db2.gz	SNSLHTCJKZKANH-UHFFFAOYSA-N	1	1	427.505	2.882	20	5		IFBDMO
COC(=O)c1ccnc(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)c1[N+](=O)[O-]	ZINC001164941040	721927325	/nfs/dbraw/zinc/92/73/25/721927325.db2.gz	ZKEPYIBDLSMJCF-UHFFFAOYSA-N	1	1	440.500	2.956	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1	ZINC001164982763	722107911	/nfs/dbraw/zinc/10/79/11/722107911.db2.gz	OVHAEOOBJPWCQK-UONOGXRCSA-N	1	1	439.303	2.814	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ccc1[N+](=O)[O-]	ZINC001164980287	722146585	/nfs/dbraw/zinc/14/65/85/722146585.db2.gz	MNEGFGRQWAFHDF-UYAOXDASSA-N	1	1	427.505	2.899	20	5		IFBDMO
COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncnc3cc(OC)c([N+](=O)[O-])cc31)C2	ZINC001164812498	720119105	/nfs/dbraw/zinc/11/91/05/720119105.db2.gz	OTQHZVGJCBSKKE-KSFYIVLOSA-N	1	1	427.505	2.731	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741096	720679944	/nfs/dbraw/zinc/67/99/44/720679944.db2.gz	SRPDJJLDOLMORR-KBPBESRZSA-N	1	1	426.864	2.928	20	5		IFBDMO
CCc1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164740500	720779881	/nfs/dbraw/zinc/77/98/81/720779881.db2.gz	LJXOFGANFSUKPT-WOJBJXKFSA-N	1	1	447.499	2.746	20	5		IFBDMO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cnc2c1	ZINC001164737406	720817191	/nfs/dbraw/zinc/81/71/91/720817191.db2.gz	AYBARWRXHHRONP-DJPFJPOOSA-N	1	1	434.504	2.509	20	5		IFBDMO
COCC[N@H+]1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@@H]2C1	ZINC001164858236	720889349	/nfs/dbraw/zinc/88/93/49/720889349.db2.gz	KOPZYVOACJJNHP-YLJYHZDGSA-N	1	1	430.480	2.969	20	5		IFBDMO
COCC[N@H+]1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccc(F)cc4)n3)CC[C@H]2C1	ZINC001164858227	720889748	/nfs/dbraw/zinc/88/97/48/720889748.db2.gz	KOPZYVOACJJNHP-PXNSSMCTSA-N	1	1	430.480	2.969	20	5		IFBDMO
Nc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749626	720895709	/nfs/dbraw/zinc/89/57/09/720895709.db2.gz	ALXGSUNKFKBSJW-CVDCTZTESA-N	1	1	438.532	2.722	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866276	721067401	/nfs/dbraw/zinc/06/74/01/721067401.db2.gz	DLEQIBDEQZKKJT-STQMWFEESA-N	1	1	425.276	2.566	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]3C2)cn1	ZINC001164769304	721077850	/nfs/dbraw/zinc/07/78/50/721077850.db2.gz	OLFXHAGFPOPKDC-KGLIPLIRSA-N	1	1	426.855	2.880	20	5		IFBDMO
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1	ZINC001164773161	721083076	/nfs/dbraw/zinc/08/30/76/721083076.db2.gz	WWJNMKVTBHSEPW-HUUCEWRRSA-N	1	1	448.911	2.512	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]3C2)cn1	ZINC001164761692	721107183	/nfs/dbraw/zinc/10/71/83/721107183.db2.gz	AHFPKGLOBBHTNP-UONOGXRCSA-N	1	1	426.855	2.880	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@@H]3C2)cn1	ZINC001164769701	721245506	/nfs/dbraw/zinc/24/55/06/721245506.db2.gz	ZFLOPXAEFGKLAN-CABCVRRESA-N	1	1	427.896	2.883	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1	ZINC001164913489	721801090	/nfs/dbraw/zinc/80/10/90/721801090.db2.gz	DTTXIMMFGCGGQC-HSZRJFAPSA-N	1	1	435.484	2.646	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(ccnc2N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1	ZINC001164913489	721801092	/nfs/dbraw/zinc/80/10/92/721801092.db2.gz	DTTXIMMFGCGGQC-HSZRJFAPSA-N	1	1	435.484	2.646	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@@H]2C1	ZINC001165025825	721802859	/nfs/dbraw/zinc/80/28/59/721802859.db2.gz	PIHSQHFSYZYMQS-CWFSZBLJSA-N	1	1	425.489	2.908	20	5		IFBDMO
COc1cccc(OC)c1C[NH+]1CCC(N(C)c2cc([N+](=O)[O-])cc(Cl)[n+]2[O-])CC1	ZINC001165022716	721842226	/nfs/dbraw/zinc/84/22/26/721842226.db2.gz	SOPMTTBEFDUJQT-UHFFFAOYSA-N	1	1	436.896	3.000	20	5		IFBDMO
CCOc1nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)ccc1[N+](=O)[O-]	ZINC001164962329	722058422	/nfs/dbraw/zinc/05/84/22/722058422.db2.gz	QYLBZMLPUVLTKD-UHFFFAOYSA-N	1	1	427.505	2.903	20	5		IFBDMO
CN(C)/C=C\c1cc(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)ncc1[N+](=O)[O-]	ZINC001164977001	722138224	/nfs/dbraw/zinc/13/82/24/722138224.db2.gz	HNGNKOSSCYROJR-DPFFDBEASA-N	1	1	438.532	2.644	20	5		IFBDMO
COC(=O)c1nc(Cl)nc(N2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1[N+](=O)[O-]	ZINC001164627273	719064398	/nfs/dbraw/zinc/06/43/98/719064398.db2.gz	QFXBAYHGZCLHEM-HUUCEWRRSA-N	1	1	431.880	2.926	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc([N+](=O)[O-])cc1[N+](=O)[O-])CC2	ZINC001164719501	720107732	/nfs/dbraw/zinc/10/77/32/720107732.db2.gz	XNYUZWHHLJTZAN-SFHVURJKSA-N	1	1	442.476	2.801	20	5		IFBDMO
COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164714895	720111781	/nfs/dbraw/zinc/11/17/81/720111781.db2.gz	DPHBRZIJPKGAOG-GOSISDBHSA-N	1	1	427.505	2.901	20	5		IFBDMO
CCOC(=O)c1ccnc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)c1[N+](=O)[O-]	ZINC001164836157	720634065	/nfs/dbraw/zinc/63/40/65/720634065.db2.gz	DWPWNKVINCSDIP-YQVWRLOYSA-N	1	1	442.520	2.741	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1	ZINC001164741099	720678138	/nfs/dbraw/zinc/67/81/38/720678138.db2.gz	SRPDJJLDOLMORR-UONOGXRCSA-N	1	1	426.864	2.928	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)c2ccccc2nc1N1CC[N@H+]2C[C@H](Oc3cncnc3)C[C@@H]2C1	ZINC001164741100	720678275	/nfs/dbraw/zinc/67/82/75/720678275.db2.gz	SRPDJJLDOLMORR-ZIAGYGMSSA-N	1	1	426.864	2.928	20	5		IFBDMO
O=[N+]([O-])c1ccc2nc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)cnc2c1	ZINC001164737409	720817466	/nfs/dbraw/zinc/81/74/66/720817466.db2.gz	AYBARWRXHHRONP-YRISNDGFSA-N	1	1	434.504	2.509	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745609	720825195	/nfs/dbraw/zinc/82/51/95/720825195.db2.gz	XEGSRDNGMPGABG-YRISNDGFSA-N	1	1	434.504	2.509	20	5		IFBDMO
O=[N+]([O-])c1cccc2ncnc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)c21	ZINC001164744880	720855960	/nfs/dbraw/zinc/85/59/60/720855960.db2.gz	CQLAPYMQLDPODK-ZHALLVOQSA-N	1	1	434.504	2.509	20	5		IFBDMO
Cc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ncc1[N+](=O)[O-]	ZINC001164755027	720929383	/nfs/dbraw/zinc/92/93/83/720929383.db2.gz	XVUOVVFSAVKZEE-OFNKIYASSA-N	1	1	438.532	2.843	20	5		IFBDMO
CSc1nc(Cl)c([N+](=O)[O-])c(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)n1	ZINC001164866034	721056294	/nfs/dbraw/zinc/05/62/94/721056294.db2.gz	BUTZGGUNYYTTMQ-UONOGXRCSA-N	1	1	436.925	2.635	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(Cl)nc5ccc([N+](=O)[O-])cc54)C[C@@H]3C2)cn1	ZINC001164762286	721101914	/nfs/dbraw/zinc/10/19/14/721101914.db2.gz	DUAHCOOUUXENRG-CABCVRRESA-N	1	1	427.896	2.883	20	5		IFBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164778869	721332998	/nfs/dbraw/zinc/33/29/98/721332998.db2.gz	ZPHWRORCENOFSD-IBGZPJMESA-N	1	1	436.900	2.762	20	5		IFBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164778869	721333000	/nfs/dbraw/zinc/33/30/00/721333000.db2.gz	ZPHWRORCENOFSD-IBGZPJMESA-N	1	1	436.900	2.762	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5c(cccc5[N+](=O)[O-])n4)C3)O2)CC1	ZINC001164890388	721408154	/nfs/dbraw/zinc/40/81/54/721408154.db2.gz	SLGKCKPRQHYLJD-FDDCHVKYSA-N	1	1	425.533	2.908	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)ccc1[N+](=O)[O-]	ZINC001164888870	721439969	/nfs/dbraw/zinc/43/99/69/721439969.db2.gz	BCURMLCFNNYFDK-AVRDEDQJSA-N	1	1	433.553	2.542	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164785981	721450699	/nfs/dbraw/zinc/45/06/99/721450699.db2.gz	KWMBTEGSELRNNM-MRXNPFEDSA-N	1	1	439.944	2.772	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1C[C@@H]2CCC[C@@H]([N@@H+](C)Cc3ccccn3)[C@H]2C1	ZINC001165025826	721802811	/nfs/dbraw/zinc/80/28/11/721802811.db2.gz	PIHSQHFSYZYMQS-RYGJVYDSSA-N	1	1	425.489	2.908	20	5		IFBDMO
Cc1nc(Cl)nc(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1[N+](=O)[O-]	ZINC001164960537	722052447	/nfs/dbraw/zinc/05/24/47/722052447.db2.gz	RPSXHHWPDPQWOX-UHFFFAOYSA-N	1	1	432.912	2.861	20	5		IFBDMO
COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc(SC)c1[N+](=O)[O-])C2	ZINC001164811085	720125096	/nfs/dbraw/zinc/12/50/96/720125096.db2.gz	LHKSPDFFZVVZOZ-ACJLOTCBSA-N	1	1	427.958	2.945	20	5		IFBDMO
COc1nc(N2CCC3(C[C@@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164839677	720690202	/nfs/dbraw/zinc/69/02/02/720690202.db2.gz	BFHLFWXCLHTLHE-QGZVFWFLSA-N	1	1	443.504	2.662	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)ccc2nc(N3CC[N@H+]4C[C@@H](Oc5cncnc5)C[C@H]4C3)ccc21	ZINC001164736845	720715815	/nfs/dbraw/zinc/71/58/15/720715815.db2.gz	BPLCKEXLZLRUDG-KBPBESRZSA-N	1	1	426.864	2.928	20	5		IFBDMO
O=[N+]([O-])c1ccc2ncc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2c1	ZINC001164747395	720815289	/nfs/dbraw/zinc/81/52/89/720815289.db2.gz	NYSTWSJEAOCJFR-HGHGUNKESA-N	1	1	434.504	2.509	20	5		IFBDMO
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1	ZINC001164738823	720822777	/nfs/dbraw/zinc/82/27/77/720822777.db2.gz	GVPMBVGVSREGLW-LZLYRXPVSA-N	1	1	431.928	2.923	20	5		IFBDMO
CCc1cc(N2CC[C@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865223	720881209	/nfs/dbraw/zinc/88/12/09/720881209.db2.gz	YYCCOPWSZOTXOV-GHTZIAJQSA-N	1	1	441.532	2.788	20	5		IFBDMO
Cc1ncc([N+](=O)[O-])c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)n1	ZINC001164755675	720885434	/nfs/dbraw/zinc/88/54/34/720885434.db2.gz	MMEIAASAIAWYOY-NFBKMPQASA-N	1	1	438.532	2.843	20	5		IFBDMO
Nc1nc(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749638	720895681	/nfs/dbraw/zinc/89/56/81/720895681.db2.gz	ALXGSUNKFKBSJW-XXBNENTESA-N	1	1	438.532	2.722	20	5		IFBDMO
Nc1cc([N+](=O)[O-])cnc1N1CC[C@@]2(C1)C[N@@H+](CC1CC1)C[C@@H]2COCc1cccnc1	ZINC001164752385	720906583	/nfs/dbraw/zinc/90/65/83/720906583.db2.gz	OBKJEWJNXZNBEM-XXBNENTESA-N	1	1	438.532	2.722	20	5		IFBDMO
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC[N@H+]2C[C@H](OCc3cccnc3)C[C@H]2C1	ZINC001164866275	721067609	/nfs/dbraw/zinc/06/76/09/721067609.db2.gz	DLEQIBDEQZKKJT-QWHCGFSZSA-N	1	1	425.276	2.566	20	5		IFBDMO
CSc1nc(Cl)nc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164863865	721097599	/nfs/dbraw/zinc/09/75/99/721097599.db2.gz	DHVCAEDOYOJIQG-ZIAGYGMSSA-N	1	1	436.925	2.635	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(C(F)(F)F)nc(Cl)c4[N+](=O)[O-])C[C@H]3C2)cn1	ZINC001164768484	721204066	/nfs/dbraw/zinc/20/40/66/721204066.db2.gz	LEPWTJQBUIIJKV-NWDGAFQWSA-N	1	1	445.833	2.749	20	5		IFBDMO
Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc([N+](=O)[O-])cc5c(Cl)ncnc54)C[C@H]3C2)cn1	ZINC001164769704	721244986	/nfs/dbraw/zinc/24/49/86/721244986.db2.gz	ZFLOPXAEFGKLAN-HUUCEWRRSA-N	1	1	427.896	2.883	20	5		IFBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164778870	721332964	/nfs/dbraw/zinc/33/29/64/721332964.db2.gz	ZPHWRORCENOFSD-LJQANCHMSA-N	1	1	436.900	2.762	20	5		IFBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3nc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164778870	721332967	/nfs/dbraw/zinc/33/29/67/721332967.db2.gz	ZPHWRORCENOFSD-LJQANCHMSA-N	1	1	436.900	2.762	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ccc5ccc([N+](=O)[O-])cc5n4)C3)O2)CC1	ZINC001164888239	721401213	/nfs/dbraw/zinc/40/12/13/721401213.db2.gz	NRHVFKUVMQYLLK-REWPJTCUSA-N	1	1	425.533	2.908	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1nc(Cl)ncc1[N+](=O)[O-])CC2	ZINC001164785980	721450853	/nfs/dbraw/zinc/45/08/53/721450853.db2.gz	KWMBTEGSELRNNM-INIZCTEOSA-N	1	1	439.944	2.772	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@@]3(CCN(c4nccc5cc([N+](=O)[O-])ccc54)C3)O2)CC1	ZINC001164889697	721451238	/nfs/dbraw/zinc/45/12/38/721451238.db2.gz	PIUMOTMWNBPEAH-OFNKIYASSA-N	1	1	425.533	2.908	20	5		IFBDMO
COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164784767	721457950	/nfs/dbraw/zinc/45/79/50/721457950.db2.gz	KBWZOLNJRQMYAQ-GOSISDBHSA-N	1	1	434.537	2.732	20	5		IFBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12	ZINC001164806604	721541432	/nfs/dbraw/zinc/54/14/32/721541432.db2.gz	PBBSCCVEKIFTIH-UMVBOHGHSA-N	1	1	439.303	2.955	20	5		IFBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]12	ZINC001164806604	721541435	/nfs/dbraw/zinc/54/14/35/721541435.db2.gz	PBBSCCVEKIFTIH-UMVBOHGHSA-N	1	1	439.303	2.955	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@H](Oc3cccc(F)c3)C[C@H]2C1	ZINC001164910207	721544297	/nfs/dbraw/zinc/54/42/97/721544297.db2.gz	SVXUNAFIZAJMSP-FUHWJXTLSA-N	1	1	430.436	2.648	20	5		IFBDMO
CN(C)/C=C\c1cc(N2C[C@H]([N@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-]	ZINC001164804682	721574989	/nfs/dbraw/zinc/57/49/89/721574989.db2.gz	LZAKJCWYYPNHCD-XLJQLOQWSA-N	1	1	438.532	2.785	20	5		IFBDMO
CN(C)/C=C\c1cc(N2C[C@H]([N@@H+](C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ncc1[N+](=O)[O-]	ZINC001164804682	721574992	/nfs/dbraw/zinc/57/49/92/721574992.db2.gz	LZAKJCWYYPNHCD-XLJQLOQWSA-N	1	1	438.532	2.785	20	5		IFBDMO
COC(=O)c1ccnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c1[N+](=O)[O-]	ZINC001164904137	721709298	/nfs/dbraw/zinc/70/92/98/721709298.db2.gz	ADSVDXHEUIASEX-HXUWFJFHSA-N	1	1	447.442	2.909	20	5		IFBDMO
O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ccccc21	ZINC001164913573	721780185	/nfs/dbraw/zinc/78/01/85/721780185.db2.gz	XSHOSXSOSVZMFG-QHCPKHFHSA-N	1	1	435.484	2.646	20	5		IFBDMO
O=[N+]([O-])c1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ccccc21	ZINC001164913573	721780188	/nfs/dbraw/zinc/78/01/88/721780188.db2.gz	XSHOSXSOSVZMFG-QHCPKHFHSA-N	1	1	435.484	2.646	20	5		IFBDMO
O=[N+]([O-])c1ccc2ccnc(N3CCO[C@@]4(C3)COCC[N@H+](Cc3cccnc3)C4)c2c1	ZINC001164916691	721792032	/nfs/dbraw/zinc/79/20/32/721792032.db2.gz	SJYALYBBLLAMBW-QHCPKHFHSA-N	1	1	435.484	2.646	20	5		IFBDMO
O=[N+]([O-])c1ccc2ccnc(N3CCO[C@@]4(C3)COCC[N@@H+](Cc3cccnc3)C4)c2c1	ZINC001164916691	721792035	/nfs/dbraw/zinc/79/20/35/721792035.db2.gz	SJYALYBBLLAMBW-QHCPKHFHSA-N	1	1	435.484	2.646	20	5		IFBDMO
COC(=O)c1ccnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)c1[N+](=O)[O-]	ZINC001165023487	721815216	/nfs/dbraw/zinc/81/52/16/721815216.db2.gz	HEKXYQVTRZSBDS-IPELMVKDSA-N	1	1	425.489	2.908	20	5		IFBDMO
COC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)C[N@@H+](Cc1ccc(C)cc1)CCO2	ZINC001164940353	721922046	/nfs/dbraw/zinc/92/20/46/721922046.db2.gz	ZLAQKCOELJZXOP-UHFFFAOYSA-N	1	1	440.500	2.956	20	5		IFBDMO
COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)c([N+](=O)[O-])cn1)CC2	ZINC001164714896	720112098	/nfs/dbraw/zinc/11/20/98/720112098.db2.gz	DPHBRZIJPKGAOG-SFHVURJKSA-N	1	1	427.505	2.901	20	5		IFBDMO
COc1nc(N2CCC3(C[C@H]([N@@H+](C)Cc4ccccc4)CO3)CC2)nc(OC)c1[N+](=O)[O-]	ZINC001164839672	720690861	/nfs/dbraw/zinc/69/08/61/720690861.db2.gz	BFHLFWXCLHTLHE-KRWDZBQOSA-N	1	1	443.504	2.662	20	5		IFBDMO
Cc1cc([N+](=O)[O-])c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc1Cl	ZINC001164743812	720822130	/nfs/dbraw/zinc/82/21/30/720822130.db2.gz	SMUDLVIBNWVECS-YESZJQIVSA-N	1	1	431.928	2.923	20	5		IFBDMO
O=[N+]([O-])c1ccc2c(c1)ncnc2N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@H+]2CC2CC2)C1	ZINC001164745608	720824991	/nfs/dbraw/zinc/82/49/91/720824991.db2.gz	XEGSRDNGMPGABG-PLMTUMEDSA-N	1	1	434.504	2.509	20	5		IFBDMO
CC(C)Oc1nc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)ccc1[N+](=O)[O-]	ZINC001164739993	720851163	/nfs/dbraw/zinc/85/11/63/720851163.db2.gz	BJZFSRGUAMCIBD-IPMKNSEASA-N	1	1	441.536	2.748	20	5		IFBDMO
CCc1cc(N2CC[C@@H]3C[N@@H+](CCOC)CCO[C@@H]3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001164865229	720881216	/nfs/dbraw/zinc/88/12/16/720881216.db2.gz	YYCCOPWSZOTXOV-WIYYLYMNSA-N	1	1	441.532	2.788	20	5		IFBDMO
Nc1nc(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)ccc1[N+](=O)[O-]	ZINC001164749621	720895704	/nfs/dbraw/zinc/89/57/04/720895704.db2.gz	ALXGSUNKFKBSJW-AUSIDOKSSA-N	1	1	438.532	2.722	20	5		IFBDMO
CSc1nc(Cl)nc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1[N+](=O)[O-]	ZINC001164863844	721097465	/nfs/dbraw/zinc/09/74/65/721097465.db2.gz	DHVCAEDOYOJIQG-KGLIPLIRSA-N	1	1	436.925	2.635	20	5		IFBDMO
Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1	ZINC001164779686	721343054	/nfs/dbraw/zinc/34/30/54/721343054.db2.gz	UVFIFFIJBMQEAD-HXUWFJFHSA-N	1	1	446.464	2.622	20	5		IFBDMO
Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3[N+](=O)[O-])C2)C1	ZINC001164779686	721343058	/nfs/dbraw/zinc/34/30/58/721343058.db2.gz	UVFIFFIJBMQEAD-HXUWFJFHSA-N	1	1	446.464	2.622	20	5		IFBDMO
C[NH+]1CCN(C[C@@H]2CCC[C@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892966	721406744	/nfs/dbraw/zinc/40/67/44/721406744.db2.gz	ZOYUREJDJNIVKN-WMZHIEFXSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[NH+]1CCN(C[C@H]2CCC[C@]3(CCN(c4ccc5cccc([N+](=O)[O-])c5n4)C3)O2)CC1	ZINC001164892964	721407029	/nfs/dbraw/zinc/40/70/29/721407029.db2.gz	ZOYUREJDJNIVKN-AUSIDOKSSA-N	1	1	425.533	2.908	20	5		IFBDMO
C[N@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC001164806603	721541446	/nfs/dbraw/zinc/54/14/46/721541446.db2.gz	PBBSCCVEKIFTIH-NFAWXSAZSA-N	1	1	439.303	2.955	20	5		IFBDMO
C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2nc(Cl)nc(Cl)c2[N+](=O)[O-])[C@@H]2CCCO[C@@H]21	ZINC001164806603	721541449	/nfs/dbraw/zinc/54/14/49/721541449.db2.gz	PBBSCCVEKIFTIH-NFAWXSAZSA-N	1	1	439.303	2.955	20	5		IFBDMO
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CC[N@H+]2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1	ZINC001164910204	721543928	/nfs/dbraw/zinc/54/39/28/721543928.db2.gz	SVXUNAFIZAJMSP-AEFFLSMTSA-N	1	1	430.436	2.648	20	5		IFBDMO
COC(=O)c1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c([N+](=O)[O-])c1	ZINC001164908412	721696839	/nfs/dbraw/zinc/69/68/39/721696839.db2.gz	YZHSKUYCZRYVJU-HXUWFJFHSA-N	1	1	447.442	2.909	20	5		IFBDMO
CN(C)C(=O)C[NH+]1CCC2(CCCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1	ZINC001165011136	721734779	/nfs/dbraw/zinc/73/47/79/721734779.db2.gz	MTIMOVQRHRRGCA-UHFFFAOYSA-N	1	1	431.871	2.711	20	5		IFBDMO
O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c2ccccc21	ZINC001164913572	721779934	/nfs/dbraw/zinc/77/99/34/721779934.db2.gz	XSHOSXSOSVZMFG-HSZRJFAPSA-N	1	1	435.484	2.646	20	5		IFBDMO
O=[N+]([O-])c1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c2ccccc21	ZINC001164913572	721779936	/nfs/dbraw/zinc/77/99/36/721779936.db2.gz	XSHOSXSOSVZMFG-HSZRJFAPSA-N	1	1	435.484	2.646	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)n1	ZINC001165020733	721831894	/nfs/dbraw/zinc/83/18/94/721831894.db2.gz	DNYZQVFLTGGEHI-KVSKMBFKSA-N	1	1	425.489	2.908	20	5		IFBDMO
COC(=O)c1ccc([N+](=O)[O-])c(N2CCC3(CC2)C[N@@H+](Cc2ccc(C)cc2)CCO3)n1	ZINC001164945221	721933544	/nfs/dbraw/zinc/93/35/44/721933544.db2.gz	VFZRYNIHWIKNIF-UHFFFAOYSA-N	1	1	440.500	2.956	20	5		IFBDMO