smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)ncc1[N+](=O)[O-])CC2	ZINC001164663756	719348761	/nfs/dbraw/zinc/34/87/61/719348761.db2.gz	LHZIAIJRKKYPOA-UHFFFAOYSA-N	0	0	433.516	3.388	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)cnc1Cl	ZINC001164758307	721002718	/nfs/dbraw/zinc/00/27/18/721002718.db2.gz	UZULPXFGGCZTFZ-BPUTZDHNSA-N	0	0	426.807	3.004	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)nc1Cl	ZINC001164758329	721004245	/nfs/dbraw/zinc/00/42/45/721004245.db2.gz	VFRMQSPBSTWRGE-QEJZJMRPSA-N	0	0	426.807	3.004	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1	ZINC001164774786	721051395	/nfs/dbraw/zinc/05/13/95/721051395.db2.gz	YDQAOAHUVVVCIM-UKRRQHHQSA-N	0	0	437.834	3.271	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164781960	721427151	/nfs/dbraw/zinc/42/71/51/721427151.db2.gz	DWDNPLVJCFLNFU-DTORHVGOSA-N	0	0	434.831	3.082	20	5		IGBDRN
O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164898024	721503520	/nfs/dbraw/zinc/50/35/20/721503520.db2.gz	PTXSAYSYKZVQDA-CQSZACIVSA-N	0	0	437.834	3.226	20	5		IGBDRN
Cc1cc(N2CCC3(CC2)C(=O)NCCN3Cc2ccccc2)nc2ccc([N+](=O)[O-])cc12	ZINC001164944233	721971188	/nfs/dbraw/zinc/97/11/88/721971188.db2.gz	HIOIINBSMMELCM-UHFFFAOYSA-N	0	0	445.523	3.422	20	5		IGBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1nc3ccccc3cc1[N+](=O)[O-])CC2	ZINC001164947721	721976176	/nfs/dbraw/zinc/97/61/76/721976176.db2.gz	RIUAKWUNZFEFJA-UHFFFAOYSA-N	0	0	431.496	3.114	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164964472	722064434	/nfs/dbraw/zinc/06/44/34/722064434.db2.gz	GZRUHOIDWUULMX-QWHCGFSZSA-N	0	0	429.836	3.138	20	5		IGBDRN
CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164989261	722187475	/nfs/dbraw/zinc/18/74/75/722187475.db2.gz	IKBTZHBJQJCIJI-OAHLLOKOSA-N	0	0	446.882	3.290	20	5		IGBDRN
CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1	ZINC001164999209	722226243	/nfs/dbraw/zinc/22/62/43/722226243.db2.gz	KBYDBTKMUCMXRR-AWEZNQCLSA-N	0	0	442.854	3.402	20	5		IGBDRN
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1	ZINC001165003007	722263276	/nfs/dbraw/zinc/26/32/76/722263276.db2.gz	BKABKGPNNUHFFC-FQEVSTJZSA-N	0	0	433.871	3.018	20	5		IGBDRN
CSc1nc(Cl)nc(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1[N+](=O)[O-]	ZINC001164650537	719312011	/nfs/dbraw/zinc/31/20/11/719312011.db2.gz	ZBNAEPORCAWNNM-UHFFFAOYSA-N	0	0	425.946	3.162	20	5		IGBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-]	ZINC001164702453	719851251	/nfs/dbraw/zinc/85/12/51/719851251.db2.gz	NEZXAIASJJUWJN-SZNDQCEHSA-N	0	0	448.907	3.029	20	5		IGBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1	ZINC001164700084	719858623	/nfs/dbraw/zinc/85/86/23/719858623.db2.gz	GFRLYTTWNKHQEE-QKKBWIMNSA-N	0	0	448.907	3.029	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)c1	ZINC001164758998	721004071	/nfs/dbraw/zinc/00/40/71/721004071.db2.gz	YGRONHBGELBXFF-KBMXLJTQSA-N	0	0	426.807	3.004	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]32)N=C1C	ZINC001164870721	721226035	/nfs/dbraw/zinc/22/60/35/721226035.db2.gz	HDZLJZNGLHHAFK-XTQGRXLLSA-N	0	0	427.839	3.054	20	5		IGBDRN
CC(C)Oc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@H]32)ccc1[N+](=O)[O-]	ZINC001164803341	721583005	/nfs/dbraw/zinc/58/30/05/721583005.db2.gz	HOLVCIXHQPUKMC-LMNJBCLMSA-N	0	0	427.505	3.040	20	5		IGBDRN
COC[C@]12COC[C@@H]1CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)C2	ZINC001164953807	721996473	/nfs/dbraw/zinc/99/64/73/721996473.db2.gz	ZKZSSKDGYIEISR-SCLBCKFNSA-N	0	0	440.834	3.349	20	5		IGBDRN
O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164957511	722032699	/nfs/dbraw/zinc/03/26/99/722032699.db2.gz	MMJOWYLIZLRBPO-KSSFIOAISA-N	0	0	437.834	3.116	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)CC[C@@H]32)cs1	ZINC001164982931	722177861	/nfs/dbraw/zinc/17/78/61/722177861.db2.gz	ADQKESVYQAJRGH-PMACEKPBSA-N	0	0	440.529	3.173	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]2CCCO[C@H]21	ZINC001164656058	719323703	/nfs/dbraw/zinc/32/37/03/719323703.db2.gz	VDODWPXJPIGYMM-SUYBPPKGSA-N	0	0	444.866	3.088	20	5		IGBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(C)n1)CC2	ZINC001164660875	719355550	/nfs/dbraw/zinc/35/55/50/719355550.db2.gz	ZELGIIJHPJRKRE-UHFFFAOYSA-N	0	0	433.516	3.388	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)nc1Cl	ZINC001164758330	721004256	/nfs/dbraw/zinc/00/42/56/721004256.db2.gz	VFRMQSPBSTWRGE-SNPRPXQTSA-N	0	0	426.807	3.004	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]32)N=C1C	ZINC001164870206	721228967	/nfs/dbraw/zinc/22/89/67/721228967.db2.gz	GJLAWWZNKMLKPC-HYSWKAIVSA-N	0	0	427.839	3.054	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)n3)C2)C1	ZINC001164777025	721333435	/nfs/dbraw/zinc/33/34/35/721333435.db2.gz	KKZRXHOUWHVXCZ-HXUWFJFHSA-N	0	0	435.912	3.367	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164778382	721333866	/nfs/dbraw/zinc/33/38/66/721333866.db2.gz	UZCAQRQDQVBUMC-FQEVSTJZSA-N	0	0	435.912	3.367	20	5		IGBDRN
O=[N+]([O-])c1cc(-c2ccc(N3C[C@H]4CN(Cc5nccs5)C[C@@H]4C3)nn2)ccc1F	ZINC001164787452	721433169	/nfs/dbraw/zinc/43/31/69/721433169.db2.gz	RDDLOAZTFQECEN-HUUCEWRRSA-N	0	0	426.477	3.216	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC1	ZINC001164917444	721814586	/nfs/dbraw/zinc/81/45/86/721814586.db2.gz	NIKYQICTLHTKQT-UHFFFAOYSA-N	0	0	426.855	3.134	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)c1	ZINC001164922314	721838492	/nfs/dbraw/zinc/83/84/92/721838492.db2.gz	HHNPWBTUBQYQTA-ACJLOTCBSA-N	0	0	440.834	3.253	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)nc1Cl	ZINC001164921708	721838497	/nfs/dbraw/zinc/83/84/97/721838497.db2.gz	FEUMRNWNHZPCIR-UGSOOPFHSA-N	0	0	440.834	3.253	20	5		IGBDRN
O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]21)NC1CCC1	ZINC001164930636	721895702	/nfs/dbraw/zinc/89/57/02/721895702.db2.gz	CGGFQKVAVQIXQO-PEYYIBSZSA-N	0	0	444.866	3.088	20	5		IGBDRN
CCOc1nc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)ccc1[N+](=O)[O-]	ZINC001164988052	722184260	/nfs/dbraw/zinc/18/42/60/722184260.db2.gz	JKRJBMPKFOWSFO-AEFFLSMTSA-N	0	0	433.534	3.023	20	5		IGBDRN
O=[N+]([O-])c1cc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)nc2[nH]ccc21	ZINC001164673397	719516990	/nfs/dbraw/zinc/51/69/90/719516990.db2.gz	RTQYYQXGTYGBRX-UHFFFAOYSA-N	0	0	425.464	3.482	20	5		IGBDRN
CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164694287	719786127	/nfs/dbraw/zinc/78/61/27/719786127.db2.gz	FLBLWACEOIWZDJ-UHFFFAOYSA-N	0	0	429.811	3.219	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1	ZINC001164774601	721051659	/nfs/dbraw/zinc/05/16/59/721051659.db2.gz	XBRNPZNEKMJSCC-HOTGVXAUSA-N	0	0	437.834	3.271	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]32)N=C1C	ZINC001164870205	721228893	/nfs/dbraw/zinc/22/88/93/721228893.db2.gz	GJLAWWZNKMLKPC-FABXCBLPSA-N	0	0	427.839	3.054	20	5		IGBDRN
CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164898966	721500852	/nfs/dbraw/zinc/50/08/52/721500852.db2.gz	VTAGRHRVPBSSAA-HNNXBMFYSA-N	0	0	446.882	3.336	20	5		IGBDRN
CN(Cc1ccco1)Cc1cncc2c1CCN(c1c(Cl)[n+]([O-])ccc1[N+](=O)[O-])C2	ZINC001164909004	721755670	/nfs/dbraw/zinc/75/56/70/721755670.db2.gz	BUNWIUQFCUWMIB-UHFFFAOYSA-N	0	0	429.864	3.064	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)cnc1Cl	ZINC001164926859	721837565	/nfs/dbraw/zinc/83/75/65/721837565.db2.gz	SSRSRNHIXFFHTA-KSSFIOAISA-N	0	0	440.834	3.253	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)c1	ZINC001164922317	721838412	/nfs/dbraw/zinc/83/84/12/721838412.db2.gz	HHNPWBTUBQYQTA-SCLBCKFNSA-N	0	0	440.834	3.253	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001164944751	721943637	/nfs/dbraw/zinc/94/36/37/721943637.db2.gz	RWYVNMAYTTXJEH-ROUUACIJSA-N	0	0	443.891	3.491	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21	ZINC001164943235	721956856	/nfs/dbraw/zinc/95/68/56/721956856.db2.gz	HCJLREWBROHRCP-WOJBJXKFSA-N	0	0	443.891	3.491	20	5		IGBDRN
O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164960227	722033169	/nfs/dbraw/zinc/03/31/69/722033169.db2.gz	UIGBRUULWKWYNG-YJBOKZPZSA-N	0	0	437.834	3.116	20	5		IGBDRN
O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164956713	722033224	/nfs/dbraw/zinc/03/32/24/722033224.db2.gz	IHZLJJCLJBFYHM-SCLBCKFNSA-N	0	0	437.834	3.116	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5cc([N+](=O)[O-])ccc54)CC[C@@H]32)cs1	ZINC001164992752	722180593	/nfs/dbraw/zinc/18/05/93/722180593.db2.gz	TXUAPXPOAXFLLN-VQTJNVASSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)CC[C@H]32)cs1	ZINC001164987876	722183888	/nfs/dbraw/zinc/18/38/88/722183888.db2.gz	IUSIDJWIUORLFS-SJLPKXTDSA-N	0	0	428.518	3.106	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC[C@@H]32)cs1	ZINC001164988167	722186199	/nfs/dbraw/zinc/18/61/99/722186199.db2.gz	MKWGUIFYRTWPLO-PKOBYXMFSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1cc([N+](=O)[O-])c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1Cl	ZINC001165003461	722262985	/nfs/dbraw/zinc/26/29/85/722262985.db2.gz	GPAIXBGRVFCCGX-FQEVSTJZSA-N	0	0	433.871	3.018	20	5		IGBDRN
COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2cccc(S(N)(=O)=O)c2)cc1	ZINC000028365892	563053609	/nfs/dbraw/zinc/05/36/09/563053609.db2.gz	AVQKFIYCHKRMRS-UHFFFAOYSA-N	0	0	443.437	3.295	20	5		IGBDRN
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccc(Cl)cc2)CC1	ZINC000040976841	563115455	/nfs/dbraw/zinc/11/54/55/563115455.db2.gz	ZBQIOQIGANFSPB-UHFFFAOYSA-N	0	0	430.892	3.047	20	5		IGBDRN
CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164725462	720312751	/nfs/dbraw/zinc/31/27/51/720312751.db2.gz	VQBRRQGELRVIJD-AWEZNQCLSA-N	0	0	442.854	3.205	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)cnc1Cl	ZINC001164758308	721002524	/nfs/dbraw/zinc/00/25/24/721002524.db2.gz	UZULPXFGGCZTFZ-IMJJTQAJSA-N	0	0	426.807	3.004	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)cnc1Cl	ZINC001164926857	721837549	/nfs/dbraw/zinc/83/75/49/721837549.db2.gz	SSRSRNHIXFFHTA-KBXCAEBGSA-N	0	0	440.834	3.253	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)CC[C@@H]32)cs1	ZINC001164982935	722177888	/nfs/dbraw/zinc/17/78/88/722177888.db2.gz	ADQKESVYQAJRGH-VQTJNVASSA-N	0	0	440.529	3.173	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164728692	720444152	/nfs/dbraw/zinc/44/41/52/720444152.db2.gz	FZGMTTPNNQDGRY-RYUDHWBXSA-N	0	0	428.802	3.305	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)cnc1Cl	ZINC001164873237	721216763	/nfs/dbraw/zinc/21/67/63/721216763.db2.gz	QGHZFCKLWZPVBR-UHFFFAOYSA-N	0	0	439.850	3.459	20	5		IGBDRN
O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164895569	721488938	/nfs/dbraw/zinc/48/89/38/721488938.db2.gz	MCPSOSBDZOCLSX-LBPRGKRZSA-N	0	0	444.866	3.232	20	5		IGBDRN
O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001165024649	721783554	/nfs/dbraw/zinc/78/35/54/721783554.db2.gz	YLROPTJXVBQQAU-KRWDZBQOSA-N	0	0	438.822	3.002	20	5		IGBDRN
CN1C(=O)CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164930034	721894341	/nfs/dbraw/zinc/89/43/41/721894341.db2.gz	BHBNNTDLCTVLQK-CVEARBPZSA-N	0	0	437.834	3.450	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21	ZINC001164942881	721963315	/nfs/dbraw/zinc/96/33/15/721963315.db2.gz	DHNXPWZSFNDTDL-PMACEKPBSA-N	0	0	443.891	3.491	20	5		IGBDRN
COC[C@@]12COC[C@@H]1CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2	ZINC001164948745	721996603	/nfs/dbraw/zinc/99/66/03/721996603.db2.gz	BCQJSBNUSZQCPG-UGSOOPFHSA-N	0	0	440.834	3.349	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164964470	722064285	/nfs/dbraw/zinc/06/42/85/722064285.db2.gz	GZRUHOIDWUULMX-OLZOCXBDSA-N	0	0	429.836	3.138	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)CC[C@H]32)cs1	ZINC001164987974	722176723	/nfs/dbraw/zinc/17/67/23/722176723.db2.gz	PTAANFNDOFIDNL-UXHICEINSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)CC[C@H]32)cs1	ZINC001164987980	722176764	/nfs/dbraw/zinc/17/67/64/722176764.db2.gz	PTAANFNDOFIDNL-WOJBJXKFSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ccc([N+](=O)[O-])c(OC(C)C)n4)CC[C@H]32)cs1	ZINC001164992200	722185626	/nfs/dbraw/zinc/18/56/26/722185626.db2.gz	VGWIHOSGHPMNAV-IEBWSBKVSA-N	0	0	447.561	3.412	20	5		IGBDRN
Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC3)cn1	ZINC001164702065	719825106	/nfs/dbraw/zinc/82/51/06/719825106.db2.gz	QQPZINZKSVHSJB-GFCCVEGCSA-N	0	0	427.839	3.465	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@@H]32)c1	ZINC001164758996	721004389	/nfs/dbraw/zinc/00/43/89/721004389.db2.gz	YGRONHBGELBXFF-BPUTZDHNSA-N	0	0	426.807	3.004	20	5		IGBDRN
COc1cc(C)nc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776846	721347950	/nfs/dbraw/zinc/34/79/50/721347950.db2.gz	DHQMTSLOAJFIGU-JOCHJYFZSA-N	0	0	445.520	3.031	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1	ZINC001164786156	721360913	/nfs/dbraw/zinc/36/09/13/721360913.db2.gz	WPSHIRLOBFSJLA-JOCHJYFZSA-N	0	0	440.504	3.195	20	5		IGBDRN
Cc1ccc(-c2ccc(N3CCCn4c(CN(C)C(C)C)nnc4C3)nn2)cc1[N+](=O)[O-]	ZINC001165009200	721709486	/nfs/dbraw/zinc/70/94/86/721709486.db2.gz	RIYAXQUREQAEAN-UHFFFAOYSA-N	0	0	436.520	3.202	20	5		IGBDRN
O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001165016337	721783253	/nfs/dbraw/zinc/78/32/53/721783253.db2.gz	CDYVCNAWGODLNB-QGZVFWFLSA-N	0	0	438.822	3.002	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)cnc1Cl	ZINC001164915071	721804737	/nfs/dbraw/zinc/80/47/37/721804737.db2.gz	HRDLZQIOONKKOQ-WMLDXEAASA-N	0	0	426.807	3.400	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1	ZINC001164915120	721805528	/nfs/dbraw/zinc/80/55/28/721805528.db2.gz	IFRWHYQPTXYAHM-PBHICJAKSA-N	0	0	426.807	3.400	20	5		IGBDRN
CN1C(=O)CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164936415	721894446	/nfs/dbraw/zinc/89/44/46/721894446.db2.gz	YSGJXJUQHFZNJE-CVEARBPZSA-N	0	0	437.834	3.450	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@@H]21	ZINC001164942891	721963248	/nfs/dbraw/zinc/96/32/48/721963248.db2.gz	DHNXPWZSFNDTDL-VQTJNVASSA-N	0	0	443.891	3.491	20	5		IGBDRN
O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164957510	722032555	/nfs/dbraw/zinc/03/25/55/722032555.db2.gz	MMJOWYLIZLRBPO-KDOFPFPSSA-N	0	0	437.834	3.116	20	5		IGBDRN
CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1	ZINC001164998350	722226467	/nfs/dbraw/zinc/22/64/67/722226467.db2.gz	AVDRKEPWOGTVPE-CYBMUJFWSA-N	0	0	442.854	3.402	20	5		IGBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])c(OC)n1)CC2	ZINC001164659856	719345629	/nfs/dbraw/zinc/34/56/29/719345629.db2.gz	FVFNSUXOJCGEQE-UHFFFAOYSA-N	0	0	449.515	3.088	20	5		IGBDRN
CCOC(=O)c1ccnc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1[N+](=O)[O-]	ZINC001164706876	719904831	/nfs/dbraw/zinc/90/48/31/719904831.db2.gz	LGHOQBVQTMKSFR-UHFFFAOYSA-N	0	0	446.529	3.099	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1Cl	ZINC001164914548	721805337	/nfs/dbraw/zinc/80/53/37/721805337.db2.gz	DBQLNJATCAIZAL-DYVFJYSZSA-N	0	0	426.807	3.400	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1Cl	ZINC001164914551	721805345	/nfs/dbraw/zinc/80/53/45/721805345.db2.gz	DBQLNJATCAIZAL-SUMWQHHRSA-N	0	0	426.807	3.400	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(c2ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn2)CC1	ZINC001164919052	721820637	/nfs/dbraw/zinc/82/06/37/721820637.db2.gz	LICWKGQDPHZPPM-UHFFFAOYSA-N	0	0	437.479	3.137	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(c2cc([N+](=O)[O-])cc3c(Cl)ncnc32)CC1	ZINC001164919103	721821730	/nfs/dbraw/zinc/82/17/30/721821730.db2.gz	MDOBOKJBBPQARC-UHFFFAOYSA-N	0	0	427.896	3.137	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)c1	ZINC001164922315	721838405	/nfs/dbraw/zinc/83/84/05/721838405.db2.gz	HHNPWBTUBQYQTA-FZKQIMNGSA-N	0	0	440.834	3.253	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CC[C@H]32)cs1	ZINC001164990488	722184314	/nfs/dbraw/zinc/18/43/14/722184314.db2.gz	NJHKZPZTMVUIIO-AEFFLSMTSA-N	0	0	428.518	3.106	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC[C@@H]32)cs1	ZINC001164988164	722186185	/nfs/dbraw/zinc/18/61/85/722186185.db2.gz	MKWGUIFYRTWPLO-HKUYNNGSSA-N	0	0	440.529	3.173	20	5		IGBDRN
CC1CCN(S(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1	ZINC000012573115	521031245	/nfs/dbraw/zinc/03/12/45/521031245.db2.gz	LYFIUOZFDSYLNZ-UHFFFAOYSA-N	0	0	448.457	3.176	20	5		IGBDRN
COC(=O)C1C(C)=NC(=S)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000011213375	562978808	/nfs/dbraw/zinc/97/88/08/562978808.db2.gz	IJFHFJADSAGAJR-FQEVSTJZSA-N	0	0	449.492	3.413	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164728696	720443756	/nfs/dbraw/zinc/44/37/56/720443756.db2.gz	FZGMTTPNNQDGRY-VXGBXAGGSA-N	0	0	428.802	3.305	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)cc([N+](=O)[O-])n3)C2)C1	ZINC001164778682	721345112	/nfs/dbraw/zinc/34/51/12/721345112.db2.gz	NRTFFGHQHKJURL-HXUWFJFHSA-N	0	0	435.912	3.367	20	5		IGBDRN
CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164895088	721500127	/nfs/dbraw/zinc/50/01/27/721500127.db2.gz	AIWVBVIPZONWLN-OAHLLOKOSA-N	0	0	446.882	3.336	20	5		IGBDRN
CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001165011708	721699965	/nfs/dbraw/zinc/69/99/65/721699965.db2.gz	WNRMLGREMIZDQH-UHFFFAOYSA-N	0	0	429.859	3.030	20	5		IGBDRN
O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164960222	722033263	/nfs/dbraw/zinc/03/32/63/722033263.db2.gz	UIGBRUULWKWYNG-MAUKXSAKSA-N	0	0	437.834	3.116	20	5		IGBDRN
CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164989257	722187503	/nfs/dbraw/zinc/18/75/03/722187503.db2.gz	IKBTZHBJQJCIJI-HNNXBMFYSA-N	0	0	446.882	3.290	20	5		IGBDRN
CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164991837	722187521	/nfs/dbraw/zinc/18/75/21/722187521.db2.gz	QBZCXQJDAUEKCM-CYBMUJFWSA-N	0	0	446.882	3.290	20	5		IGBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-]	ZINC001164702447	719851290	/nfs/dbraw/zinc/85/12/90/719851290.db2.gz	NEZXAIASJJUWJN-LHSJRXKWSA-N	0	0	448.907	3.029	20	5		IGBDRN
CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164722723	720313170	/nfs/dbraw/zinc/31/31/70/720313170.db2.gz	LEJMUHVTJNHAOY-HNNXBMFYSA-N	0	0	442.854	3.205	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]32)N=C1C	ZINC001164875039	721227950	/nfs/dbraw/zinc/22/79/50/721227950.db2.gz	VPUKKQUDCKBDMR-XWCIJXRUSA-N	0	0	427.839	3.054	20	5		IGBDRN
O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164898980	721503018	/nfs/dbraw/zinc/50/30/18/721503018.db2.gz	WBYJCHCJIDXERP-AWEZNQCLSA-N	0	0	437.834	3.226	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(c2nc(C(F)(F)F)nc(Cl)c2[N+](=O)[O-])CC1	ZINC001164917157	721819341	/nfs/dbraw/zinc/81/93/41/721819341.db2.gz	CLLKLLJLTHSMOP-UHFFFAOYSA-N	0	0	445.833	3.003	20	5		IGBDRN
CN1C(=O)CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl	ZINC001164929830	721894460	/nfs/dbraw/zinc/89/44/60/721894460.db2.gz	ALHSZNZBZURUTG-HOTGVXAUSA-N	0	0	437.834	3.450	20	5		IGBDRN
O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]21)NC1CCC1	ZINC001164931572	721895659	/nfs/dbraw/zinc/89/56/59/721895659.db2.gz	FAKRNGOZQYQQMA-LNSITVRQSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=C(NCc1cccnc1)[C@@H]1C[C@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164956714	722033267	/nfs/dbraw/zinc/03/32/67/722033267.db2.gz	IHZLJJCLJBFYHM-UGSOOPFHSA-N	0	0	437.834	3.116	20	5		IGBDRN
CCOc1nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)ccc1[N+](=O)[O-]	ZINC001164988053	722184297	/nfs/dbraw/zinc/18/42/97/722184297.db2.gz	JKRJBMPKFOWSFO-FUHWJXTLSA-N	0	0	433.534	3.023	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ccc([N+](=O)[O-])c(OC(C)C)n4)CC[C@@H]32)cs1	ZINC001164992206	722185667	/nfs/dbraw/zinc/18/56/67/722185667.db2.gz	VGWIHOSGHPMNAV-PKOBYXMFSA-N	0	0	447.561	3.412	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2	ZINC001165008025	722267375	/nfs/dbraw/zinc/26/73/75/722267375.db2.gz	UYBQHUHVROVMAO-QHCPKHFHSA-N	0	0	435.459	3.210	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2	ZINC001165007979	722270714	/nfs/dbraw/zinc/27/07/14/722270714.db2.gz	ZNQXGHGDYOYMBO-HSZRJFAPSA-N	0	0	435.459	3.210	20	5		IGBDRN
CN(Cc1cc([N+](=O)[O-])ccc1Cl)Cn1nc2n(c1=S)c1ccccc1c(=O)n2C	ZINC000012521805	523185106	/nfs/dbraw/zinc/18/51/06/523185106.db2.gz	QIDQVMINYGRIHT-UHFFFAOYSA-N	0	0	444.904	3.368	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]2CCCO[C@@H]12	ZINC001164656055	719323738	/nfs/dbraw/zinc/32/37/38/719323738.db2.gz	VDODWPXJPIGYMM-DXCKQFNASA-N	0	0	444.866	3.088	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]2CCCO[C@H]12	ZINC001164655262	719324469	/nfs/dbraw/zinc/32/44/69/719324469.db2.gz	PGVCMYUGZCGRGK-MJEQTWJJSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)nc1Cl	ZINC001164793777	721485949	/nfs/dbraw/zinc/48/59/49/721485949.db2.gz	VUFDYXDAYUVFIJ-DIFFPNOSSA-N	0	0	444.797	3.254	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)c1	ZINC001164791683	721486023	/nfs/dbraw/zinc/48/60/23/721486023.db2.gz	DONYLKGDWSZUPG-DIFFPNOSSA-N	0	0	444.797	3.254	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)nc1Cl	ZINC001164793779	721486100	/nfs/dbraw/zinc/48/61/00/721486100.db2.gz	VUFDYXDAYUVFIJ-PIGZYNQJSA-N	0	0	444.797	3.254	20	5		IGBDRN
O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164895566	721489251	/nfs/dbraw/zinc/48/92/51/721489251.db2.gz	MCPSOSBDZOCLSX-GFCCVEGCSA-N	0	0	444.866	3.232	20	5		IGBDRN
CC(C)N(C)Cc1nnc2n1CCCN(c1cc3ncnc(Cl)c3cc1[N+](=O)[O-])C2	ZINC001165010757	721698906	/nfs/dbraw/zinc/69/89/06/721698906.db2.gz	LVQZZOFESZEIIU-UHFFFAOYSA-N	0	0	430.900	3.033	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(c2nc(Cl)nc3ccc([N+](=O)[O-])cc32)CC1	ZINC001164918430	721814257	/nfs/dbraw/zinc/81/42/57/721814257.db2.gz	XIYIDMYMNSCOLJ-UHFFFAOYSA-N	0	0	427.896	3.137	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3COC[C@@]3(COCc3ccccn3)C2)nc1Cl	ZINC001164921707	721838302	/nfs/dbraw/zinc/83/83/02/721838302.db2.gz	FEUMRNWNHZPCIR-SCLBCKFNSA-N	0	0	440.834	3.253	20	5		IGBDRN
CN1C(=O)CC[C@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl	ZINC001164929823	721894440	/nfs/dbraw/zinc/89/44/40/721894440.db2.gz	ALHSZNZBZURUTG-CVEARBPZSA-N	0	0	437.834	3.450	20	5		IGBDRN
O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21)NC1CCC1	ZINC001164930639	721895637	/nfs/dbraw/zinc/89/56/37/721895637.db2.gz	CGGFQKVAVQIXQO-PJODQICGSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164960225	722033228	/nfs/dbraw/zinc/03/32/28/722033228.db2.gz	UIGBRUULWKWYNG-QAPCUYQASA-N	0	0	437.834	3.116	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CC[C@@H]32)cs1	ZINC001164990489	722184272	/nfs/dbraw/zinc/18/42/72/722184272.db2.gz	NJHKZPZTMVUIIO-FUHWJXTLSA-N	0	0	428.518	3.106	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@H]32)c1	ZINC001164758995	721004237	/nfs/dbraw/zinc/00/42/37/721004237.db2.gz	YGRONHBGELBXFF-BMFZPTHFSA-N	0	0	426.807	3.004	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1	ZINC001164778125	721334786	/nfs/dbraw/zinc/33/47/86/721334786.db2.gz	USMPLOCHYGBWTP-HXUWFJFHSA-N	0	0	435.912	3.367	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)c1	ZINC001164791685	721485876	/nfs/dbraw/zinc/48/58/76/721485876.db2.gz	DONYLKGDWSZUPG-PIGZYNQJSA-N	0	0	444.797	3.254	20	5		IGBDRN
O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001165024939	721783893	/nfs/dbraw/zinc/78/38/93/721783893.db2.gz	ZINGUFLMNZMSLO-QGZVFWFLSA-N	0	0	438.822	3.002	20	5		IGBDRN
O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21)NC1CCC1	ZINC001164933973	721895137	/nfs/dbraw/zinc/89/51/37/721895137.db2.gz	NTLJTCLNZTVFRD-PJODQICGSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164957512	722032722	/nfs/dbraw/zinc/03/27/22/722032722.db2.gz	MMJOWYLIZLRBPO-RDTXWAMCSA-N	0	0	437.834	3.116	20	5		IGBDRN
O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164956712	722033112	/nfs/dbraw/zinc/03/31/12/722033112.db2.gz	IHZLJJCLJBFYHM-FZKQIMNGSA-N	0	0	437.834	3.116	20	5		IGBDRN
Cc1cc([N+](=O)[O-])c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc1Cl	ZINC001165003463	722262693	/nfs/dbraw/zinc/26/26/93/722262693.db2.gz	GPAIXBGRVFCCGX-HXUWFJFHSA-N	0	0	433.871	3.018	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2	ZINC001165003876	722263271	/nfs/dbraw/zinc/26/32/71/722263271.db2.gz	LFOQPESLXAZPHJ-QHCPKHFHSA-N	0	0	435.459	3.210	20	5		IGBDRN
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2cccc(Cl)c2)CC1	ZINC000015014954	563017446	/nfs/dbraw/zinc/01/74/46/563017446.db2.gz	LMTIBCIPVVPFGB-UHFFFAOYSA-N	0	0	430.892	3.047	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]2CCCO[C@@H]21	ZINC001164655266	719324504	/nfs/dbraw/zinc/32/45/04/719324504.db2.gz	PGVCMYUGZCGRGK-VMGRFDJRSA-N	0	0	444.866	3.088	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1	ZINC001164769645	721049943	/nfs/dbraw/zinc/04/99/43/721049943.db2.gz	JSPZGHFWMOOMQD-HUUCEWRRSA-N	0	0	437.834	3.271	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]32)N=C1C	ZINC001164875035	721228286	/nfs/dbraw/zinc/22/82/86/721228286.db2.gz	VPUKKQUDCKBDMR-NVGCLXPQSA-N	0	0	427.839	3.054	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)cnc1Cl	ZINC001164789778	721485096	/nfs/dbraw/zinc/48/50/96/721485096.db2.gz	CJAYDTBJSORNFT-SJCJKPOMSA-N	0	0	444.797	3.254	20	5		IGBDRN
CC(C)N(C)Cc1nnc2n1CCCN(c1nc(Cl)nc3ccc([N+](=O)[O-])cc31)C2	ZINC001165010322	721698916	/nfs/dbraw/zinc/69/89/16/721698916.db2.gz	HGILXZMAPCCQRR-UHFFFAOYSA-N	0	0	430.900	3.033	20	5		IGBDRN
O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001165024938	721783993	/nfs/dbraw/zinc/78/39/93/721783993.db2.gz	ZINGUFLMNZMSLO-KRWDZBQOSA-N	0	0	438.822	3.002	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)cnc1Cl	ZINC001164926860	721837529	/nfs/dbraw/zinc/83/75/29/721837529.db2.gz	SSRSRNHIXFFHTA-RDTXWAMCSA-N	0	0	440.834	3.253	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3COC[C@]3(COCc3ccccn3)C2)c1	ZINC001164922318	721838341	/nfs/dbraw/zinc/83/83/41/721838341.db2.gz	HHNPWBTUBQYQTA-UGSOOPFHSA-N	0	0	440.834	3.253	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21	ZINC001164946321	721962695	/nfs/dbraw/zinc/96/26/95/721962695.db2.gz	NACMSNNNJDVRRP-SFTDATJTSA-N	0	0	435.484	3.351	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21	ZINC001164942887	721963201	/nfs/dbraw/zinc/96/32/01/721963201.db2.gz	DHNXPWZSFNDTDL-UXHICEINSA-N	0	0	443.891	3.491	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)CC[C@@H]32)cs1	ZINC001164987977	722176770	/nfs/dbraw/zinc/17/67/70/722176770.db2.gz	PTAANFNDOFIDNL-VQTJNVASSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5ccc([N+](=O)[O-])cc54)CC[C@H]32)cs1	ZINC001164991734	722180671	/nfs/dbraw/zinc/18/06/71/722180671.db2.gz	QUUBWAIQEPARNZ-WOJBJXKFSA-N	0	0	440.529	3.173	20	5		IGBDRN
O=[N+]([O-])c1c[nH]c2ccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)nc21	ZINC001164673387	719515948	/nfs/dbraw/zinc/51/59/48/719515948.db2.gz	RFJLLUUCPVRZCS-UHFFFAOYSA-N	0	0	425.464	3.482	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2Cc3cncn3C[C@@H](COCC3CC3)C2)c1	ZINC001164756994	720976426	/nfs/dbraw/zinc/97/64/26/720976426.db2.gz	LQKOKNUATVRAPL-CYBMUJFWSA-N	0	0	427.839	3.448	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1	ZINC001164769647	721049961	/nfs/dbraw/zinc/04/99/61/721049961.db2.gz	JSPZGHFWMOOMQD-LSDHHAIUSA-N	0	0	437.834	3.271	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1	ZINC001164776859	721353404	/nfs/dbraw/zinc/35/34/04/721353404.db2.gz	DOJIFOMWKIPPMB-QFIPXVFZSA-N	0	0	429.521	3.330	20	5		IGBDRN
O=[N+]([O-])c1cc(-c2ccc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)nn2)ccc1F	ZINC001164787447	721433379	/nfs/dbraw/zinc/43/33/79/721433379.db2.gz	RDDLOAZTFQECEN-GASCZTMLSA-N	0	0	426.477	3.216	20	5		IGBDRN
O=[N+]([O-])c1cc(-c2ccc(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)nn2)ccc1F	ZINC001164787449	721433618	/nfs/dbraw/zinc/43/36/18/721433618.db2.gz	RDDLOAZTFQECEN-GJZGRUSLSA-N	0	0	426.477	3.216	20	5		IGBDRN
O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164895139	721503792	/nfs/dbraw/zinc/50/37/92/721503792.db2.gz	AOVWUFPKNGHLDZ-ZDUSSCGKSA-N	0	0	437.834	3.226	20	5		IGBDRN
CC(C)Oc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC001164803339	721583094	/nfs/dbraw/zinc/58/30/94/721583094.db2.gz	HOLVCIXHQPUKMC-HFSMHLIXSA-N	0	0	427.505	3.040	20	5		IGBDRN
CC(C)N(C)Cc1nnc2n1CCCN(c1cc([N+](=O)[O-])cc3c(Cl)ncnc31)C2	ZINC001165012034	721721777	/nfs/dbraw/zinc/72/17/77/721721777.db2.gz	ZFMRBGJOVAURNH-UHFFFAOYSA-N	0	0	430.900	3.033	20	5		IGBDRN
c1cncc(CN2CCOC[C@]3(CN(c4ccc5ccc6cccnc6c5n4)CCO3)C2)c1	ZINC001164912065	721775121	/nfs/dbraw/zinc/77/51/21/721775121.db2.gz	JZIZHDIMVICFLQ-AREMUKBSSA-N	0	0	441.535	3.286	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)cnc1Cl	ZINC001164915072	721804656	/nfs/dbraw/zinc/80/46/56/721804656.db2.gz	HRDLZQIOONKKOQ-YOEHRIQHSA-N	0	0	426.807	3.400	20	5		IGBDRN
CN1C(=O)CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164936419	721894549	/nfs/dbraw/zinc/89/45/49/721894549.db2.gz	YSGJXJUQHFZNJE-HZPDHXFCSA-N	0	0	437.834	3.450	20	5		IGBDRN
CN1C(=O)CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl	ZINC001164929835	721894615	/nfs/dbraw/zinc/89/46/15/721894615.db2.gz	ALHSZNZBZURUTG-HZPDHXFCSA-N	0	0	437.834	3.450	20	5		IGBDRN
O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@@H]21)NC1CCC1	ZINC001164930642	721895720	/nfs/dbraw/zinc/89/57/20/721895720.db2.gz	CGGFQKVAVQIXQO-WPGHFRTFSA-N	0	0	444.866	3.088	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001164944747	721943587	/nfs/dbraw/zinc/94/35/87/721943587.db2.gz	RWYVNMAYTTXJEH-QZTJIDSGSA-N	0	0	443.891	3.491	20	5		IGBDRN
COC[C@@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2	ZINC001164950364	721996802	/nfs/dbraw/zinc/99/68/02/721996802.db2.gz	IVHVVHJLAJQNDW-XIKOKIGWSA-N	0	0	440.834	3.349	20	5		IGBDRN
O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)C2	ZINC001164960219	722033279	/nfs/dbraw/zinc/03/32/79/722033279.db2.gz	UIGBRUULWKWYNG-CRAIPNDOSA-N	0	0	437.834	3.116	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164963150	722063643	/nfs/dbraw/zinc/06/36/43/722063643.db2.gz	AXSOXJKANHUMPI-NEPJUHHUSA-N	0	0	429.836	3.138	20	5		IGBDRN
CCOc1nc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)ccc1[N+](=O)[O-]	ZINC001164988055	722184248	/nfs/dbraw/zinc/18/42/48/722184248.db2.gz	JKRJBMPKFOWSFO-WMZOPIPTSA-N	0	0	433.534	3.023	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ccc([N+](=O)[O-])c(OC(C)C)n4)CC[C@H]32)cs1	ZINC001164992203	722185646	/nfs/dbraw/zinc/18/56/46/722185646.db2.gz	VGWIHOSGHPMNAV-MJGOQNOKSA-N	0	0	447.561	3.412	20	5		IGBDRN
CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164992421	722187408	/nfs/dbraw/zinc/18/74/08/722187408.db2.gz	SJJMGQXVFLJKAJ-AWEZNQCLSA-N	0	0	446.882	3.290	20	5		IGBDRN
CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1	ZINC001164998959	722226356	/nfs/dbraw/zinc/22/63/56/722226356.db2.gz	GKISDWSDRGTMCG-AWEZNQCLSA-N	0	0	442.854	3.402	20	5		IGBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc(OC)c1[N+](=O)[O-])CC2	ZINC001164664100	719350190	/nfs/dbraw/zinc/35/01/90/719350190.db2.gz	RBNXCOGYGSHAGI-UHFFFAOYSA-N	0	0	449.515	3.088	20	5		IGBDRN
Cc1nc(Cl)c([N+](=O)[O-])c(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1	ZINC001164674392	719497702	/nfs/dbraw/zinc/49/77/02/719497702.db2.gz	VZBSSVHCZDFLJQ-UHFFFAOYSA-N	0	0	435.887	3.357	20	5		IGBDRN
Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC3)cn1	ZINC001164696348	719825364	/nfs/dbraw/zinc/82/53/64/719825364.db2.gz	IMSPPHMKXSGVMD-LBPRGKRZSA-N	0	0	427.839	3.465	20	5		IGBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-]	ZINC001164702451	719851357	/nfs/dbraw/zinc/85/13/57/719851357.db2.gz	NEZXAIASJJUWJN-SPLOXXLWSA-N	0	0	448.907	3.029	20	5		IGBDRN
COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1	ZINC001164700085	719858828	/nfs/dbraw/zinc/85/88/28/719858828.db2.gz	GFRLYTTWNKHQEE-SPLOXXLWSA-N	0	0	448.907	3.029	20	5		IGBDRN
CCOC(=O)c1cc([N+](=O)[O-])cnc1N1CCC2(CC1)CN(Cc1cccs1)CCO2	ZINC001164698988	719895423	/nfs/dbraw/zinc/89/54/23/719895423.db2.gz	VGGUFSBURHDESJ-UHFFFAOYSA-N	0	0	446.529	3.099	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@H]32)cnc1Cl	ZINC001164758306	721002449	/nfs/dbraw/zinc/00/24/49/721002449.db2.gz	UZULPXFGGCZTFZ-BMFZPTHFSA-N	0	0	426.807	3.004	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@H]32)N=C1C	ZINC001164875037	721227612	/nfs/dbraw/zinc/22/76/12/721227612.db2.gz	VPUKKQUDCKBDMR-PSTGCABASA-N	0	0	427.839	3.054	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc([N+](=O)[O-])cc3Cl)C2)C1	ZINC001164778123	721334271	/nfs/dbraw/zinc/33/42/71/721334271.db2.gz	USMPLOCHYGBWTP-FQEVSTJZSA-N	0	0	435.912	3.367	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1	ZINC001164777787	721334390	/nfs/dbraw/zinc/33/43/90/721334390.db2.gz	QNCUYGQKVDJIOH-HXUWFJFHSA-N	0	0	435.912	3.367	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)nc1Cl	ZINC001164914549	721805237	/nfs/dbraw/zinc/80/52/37/721805237.db2.gz	DBQLNJATCAIZAL-GUYCJALGSA-N	0	0	426.807	3.400	20	5		IGBDRN
Cn1ccc(CN2CCOCC23CCN(c2ccc4ccc5cccnc5c4n2)CC3)n1	ZINC001164934155	721903874	/nfs/dbraw/zinc/90/38/74/721903874.db2.gz	XBMZJUXKWVMEOH-UHFFFAOYSA-N	0	0	428.540	3.388	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@@H]21	ZINC001164944755	721943650	/nfs/dbraw/zinc/94/36/50/721943650.db2.gz	RWYVNMAYTTXJEH-ZWKOTPCHSA-N	0	0	443.891	3.491	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@@H]21	ZINC001164946318	721962601	/nfs/dbraw/zinc/96/26/01/721962601.db2.gz	NACMSNNNJDVRRP-LEWJYISDSA-N	0	0	435.484	3.351	20	5		IGBDRN
O=C(NCc1cccnc1)[C@H]1C[C@]12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001164956711	722033211	/nfs/dbraw/zinc/03/32/11/722033211.db2.gz	IHZLJJCLJBFYHM-ACJLOTCBSA-N	0	0	437.834	3.116	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)CC[C@H]32)cs1	ZINC001164982937	722177925	/nfs/dbraw/zinc/17/79/25/722177925.db2.gz	ADQKESVYQAJRGH-WOJBJXKFSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC[C@H]32)cs1	ZINC001164988165	722186209	/nfs/dbraw/zinc/18/62/09/722186209.db2.gz	MKWGUIFYRTWPLO-IEBWSBKVSA-N	0	0	440.529	3.173	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2	ZINC001165006177	722263886	/nfs/dbraw/zinc/26/38/86/722263886.db2.gz	HUPVTLXYQWAJPP-HSZRJFAPSA-N	0	0	435.459	3.210	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncc([N+](=O)[O-])c3ccccc31)C2	ZINC001165006178	722263935	/nfs/dbraw/zinc/26/39/35/722263935.db2.gz	HUPVTLXYQWAJPP-QHCPKHFHSA-N	0	0	435.459	3.210	20	5		IGBDRN
COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc2ccccc2c(Cl)c1[N+](=O)[O-]	ZINC001164702449	719851163	/nfs/dbraw/zinc/85/11/63/719851163.db2.gz	NEZXAIASJJUWJN-QKKBWIMNSA-N	0	0	448.907	3.029	20	5		IGBDRN
CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164722725	720312624	/nfs/dbraw/zinc/31/26/24/720312624.db2.gz	LEJMUHVTJNHAOY-OAHLLOKOSA-N	0	0	442.854	3.205	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3ncc(Cl)cc3[N+](=O)[O-])C2)C1	ZINC001164777784	721334634	/nfs/dbraw/zinc/33/46/34/721334634.db2.gz	QNCUYGQKVDJIOH-FQEVSTJZSA-N	0	0	435.912	3.367	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(Cl)cc([N+](=O)[O-])n3)C2)C1	ZINC001164778681	721344859	/nfs/dbraw/zinc/34/48/59/721344859.db2.gz	NRTFFGHQHKJURL-FQEVSTJZSA-N	0	0	435.912	3.367	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])c4cc[nH]c4n3)C2)C1	ZINC001164786167	721360569	/nfs/dbraw/zinc/36/05/69/721360569.db2.gz	WPSHIRLOBFSJLA-QFIPXVFZSA-N	0	0	440.504	3.195	20	5		IGBDRN
CCOc1nc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)ccc1[N+](=O)[O-]	ZINC001164786048	721360961	/nfs/dbraw/zinc/36/09/61/721360961.db2.gz	VCVJFYPDGKVJPP-QFIPXVFZSA-N	0	0	445.520	3.112	20	5		IGBDRN
CC(C)N(C)Cc1nnc2n1CCCN(c1ccc(-c3ccc(F)c([N+](=O)[O-])c3)nn1)C2	ZINC001165011501	721718747	/nfs/dbraw/zinc/71/87/47/721718747.db2.gz	QZFCTCQIFIZPOS-UHFFFAOYSA-N	0	0	440.483	3.033	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C[C@H](Oc4cccnc4)CO3)C2)c1	ZINC001164915122	721805697	/nfs/dbraw/zinc/80/56/97/721805697.db2.gz	IFRWHYQPTXYAHM-WMLDXEAASA-N	0	0	426.807	3.400	20	5		IGBDRN
O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cc([N+](=O)[O-])cnc3Cl)CC[C@H]21)NC1CCC1	ZINC001164930645	721895742	/nfs/dbraw/zinc/89/57/42/721895742.db2.gz	CGGFQKVAVQIXQO-XFJVYGCCSA-N	0	0	444.866	3.088	20	5		IGBDRN
Cc1cc(N2CCC3(CC2)COCCN3Cc2ccn(C)n2)nc2ccc([N+](=O)[O-])cc12	ZINC001164934105	721903719	/nfs/dbraw/zinc/90/37/19/721903719.db2.gz	VRZHRAWBTQQZTN-UHFFFAOYSA-N	0	0	436.516	3.056	20	5		IGBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1ncc([N+](=O)[O-])c3ccccc31)CC2	ZINC001164943739	721973261	/nfs/dbraw/zinc/97/32/61/721973261.db2.gz	CPPLUOTUJXBLRL-UHFFFAOYSA-N	0	0	431.496	3.114	20	5		IGBDRN
COC[C@@]12COC[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2	ZINC001164950363	721996871	/nfs/dbraw/zinc/99/68/71/721996871.db2.gz	IVHVVHJLAJQNDW-SGTLLEGYSA-N	0	0	440.834	3.349	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164963159	722063615	/nfs/dbraw/zinc/06/36/15/722063615.db2.gz	AXSOXJKANHUMPI-RYUDHWBXSA-N	0	0	429.836	3.138	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164965222	722064164	/nfs/dbraw/zinc/06/41/64/722064164.db2.gz	JPAORDDGYUOMML-GHMZBOCLSA-N	0	0	429.836	3.138	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)CC[C@@H]32)cs1	ZINC001164987873	722183828	/nfs/dbraw/zinc/18/38/28/722183828.db2.gz	IUSIDJWIUORLFS-FUHWJXTLSA-N	0	0	428.518	3.106	20	5		IGBDRN
Cc1cc(Cl)nc(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1[N+](=O)[O-]	ZINC001165005486	722262978	/nfs/dbraw/zinc/26/29/78/722262978.db2.gz	XOBYVXJGUORDOK-HXUWFJFHSA-N	0	0	433.871	3.018	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2	ZINC001165008670	722263861	/nfs/dbraw/zinc/26/38/61/722263861.db2.gz	XNGQVCGYIJJTCW-QHCPKHFHSA-N	0	0	435.459	3.210	20	5		IGBDRN
Cc1nc2ccccc2c2c(NC(=O)Cn3cnc4c(cnn4C)c3=O)c3ccccc3n21	ZINC000021327165	527160167	/nfs/dbraw/zinc/16/01/67/527160167.db2.gz	WIRKGZZJPXZASE-UHFFFAOYSA-N	0	0	437.463	3.031	20	5		IGBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc([N+](=O)[O-])cc1N)CC2	ZINC001164660672	719353301	/nfs/dbraw/zinc/35/33/01/719353301.db2.gz	WUTVQTUTJXVIKM-UHFFFAOYSA-N	0	0	433.516	3.267	20	5		IGBDRN
Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)CC3)cn1	ZINC001164696347	719825588	/nfs/dbraw/zinc/82/55/88/719825588.db2.gz	IMSPPHMKXSGVMD-GFCCVEGCSA-N	0	0	427.839	3.465	20	5		IGBDRN
CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164723380	720311401	/nfs/dbraw/zinc/31/14/01/720311401.db2.gz	OKBMAFHIPRXJHN-HNNXBMFYSA-N	0	0	442.854	3.205	20	5		IGBDRN
CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164725464	720312218	/nfs/dbraw/zinc/31/22/18/720312218.db2.gz	VQBRRQGELRVIJD-CQSZACIVSA-N	0	0	442.854	3.205	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1	ZINC001164774784	721051168	/nfs/dbraw/zinc/05/11/68/721051168.db2.gz	YDQAOAHUVVVCIM-DZGCQCFKSA-N	0	0	437.834	3.271	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1	ZINC001164774787	721051296	/nfs/dbraw/zinc/05/12/96/721051296.db2.gz	YDQAOAHUVVVCIM-ZFWWWQNUSA-N	0	0	437.834	3.271	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1	ZINC001164774785	721051332	/nfs/dbraw/zinc/05/13/32/721051332.db2.gz	YDQAOAHUVVVCIM-HIFRSBDPSA-N	0	0	437.834	3.271	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)c1	ZINC001164870104	721218538	/nfs/dbraw/zinc/21/85/38/721218538.db2.gz	FIODLRIBHZUQFH-UHFFFAOYSA-N	0	0	439.850	3.459	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CCC3(CC2)CN(c2ccccn2)CCO3)nc1Cl	ZINC001164875979	721218570	/nfs/dbraw/zinc/21/85/70/721218570.db2.gz	YUXNIYKNCXQGHH-UHFFFAOYSA-N	0	0	439.850	3.459	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]32)N=C1C	ZINC001164870718	721226462	/nfs/dbraw/zinc/22/64/62/721226462.db2.gz	HDZLJZNGLHHAFK-PLQHRBFRSA-N	0	0	427.839	3.054	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)nc1Cl	ZINC001164793778	721485819	/nfs/dbraw/zinc/48/58/19/721485819.db2.gz	VUFDYXDAYUVFIJ-GTNSWQLSSA-N	0	0	444.797	3.254	20	5		IGBDRN
CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164898967	721500677	/nfs/dbraw/zinc/50/06/77/721500677.db2.gz	VTAGRHRVPBSSAA-OAHLLOKOSA-N	0	0	446.882	3.336	20	5		IGBDRN
CC(C)C(=O)N[C@@H]1COCCC12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164897919	721500919	/nfs/dbraw/zinc/50/09/19/721500919.db2.gz	ORQSNCZVQUADIR-OAHLLOKOSA-N	0	0	446.882	3.336	20	5		IGBDRN
O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]21)NC1CCC1	ZINC001164933975	721895064	/nfs/dbraw/zinc/89/50/64/721895064.db2.gz	NTLJTCLNZTVFRD-XFJVYGCCSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164965232	722064189	/nfs/dbraw/zinc/06/41/89/722064189.db2.gz	JPAORDDGYUOMML-WDEREUQCSA-N	0	0	429.836	3.138	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cnc5ccc([N+](=O)[O-])cc5n4)CC[C@@H]32)cs1	ZINC001164987971	722176808	/nfs/dbraw/zinc/17/68/08/722176808.db2.gz	PTAANFNDOFIDNL-PMACEKPBSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5ccc([N+](=O)[O-])cc54)CC[C@@H]32)cs1	ZINC001164991730	722180502	/nfs/dbraw/zinc/18/05/02/722180502.db2.gz	QUUBWAIQEPARNZ-PMACEKPBSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1cc(Cl)c([N+](=O)[O-])c(N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1	ZINC001165003017	722263304	/nfs/dbraw/zinc/26/33/04/722263304.db2.gz	BKABKGPNNUHFFC-HXUWFJFHSA-N	0	0	433.871	3.018	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nccc3cc([N+](=O)[O-])ccc31)C2	ZINC001165007982	722270612	/nfs/dbraw/zinc/27/06/12/722270612.db2.gz	ZNQXGHGDYOYMBO-QHCPKHFHSA-N	0	0	435.459	3.210	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]2CCCO[C@H]21	ZINC001164652711	719324420	/nfs/dbraw/zinc/32/44/20/719324420.db2.gz	DYSUCJWKCJKURR-PBFPGSCMSA-N	0	0	444.866	3.088	20	5		IGBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc([N+](=O)[O-])c(N)n1)CC2	ZINC001164659995	719351518	/nfs/dbraw/zinc/35/15/18/719351518.db2.gz	UDHJSXYLMFXOOJ-UHFFFAOYSA-N	0	0	433.516	3.267	20	5		IGBDRN
Cc1nc(Cl)nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC001164670741	719493117	/nfs/dbraw/zinc/49/31/17/719493117.db2.gz	YEIVXLSBMYLACV-UHFFFAOYSA-N	0	0	435.887	3.357	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc([N+](=O)[O-])cc(Cl)n3)C2)C1	ZINC001164777024	721333120	/nfs/dbraw/zinc/33/31/20/721333120.db2.gz	KKZRXHOUWHVXCZ-FQEVSTJZSA-N	0	0	435.912	3.367	20	5		IGBDRN
CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164895086	721500308	/nfs/dbraw/zinc/50/03/08/721500308.db2.gz	AIWVBVIPZONWLN-HNNXBMFYSA-N	0	0	446.882	3.336	20	5		IGBDRN
COc1cccc(OC)c1CN1CCC(N(C)c2ncc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC001165022420	721839720	/nfs/dbraw/zinc/83/97/20/721839720.db2.gz	SLCXIILUBRGVCN-UHFFFAOYSA-N	0	0	431.449	3.016	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@H]21	ZINC001164943229	721956826	/nfs/dbraw/zinc/95/68/26/721956826.db2.gz	HCJLREWBROHRCP-UXHICEINSA-N	0	0	443.891	3.491	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CC[C@H]32)cs1	ZINC001164990490	722184269	/nfs/dbraw/zinc/18/42/69/722184269.db2.gz	NJHKZPZTMVUIIO-SJLPKXTDSA-N	0	0	428.518	3.106	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cc([N+](=O)[O-])c5cc[nH]c5n4)CC[C@@H]32)cs1	ZINC001164990491	722184324	/nfs/dbraw/zinc/18/43/24/722184324.db2.gz	NJHKZPZTMVUIIO-WMZOPIPTSA-N	0	0	428.518	3.106	20	5		IGBDRN
COc1cc(C)nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC001164673214	719506720	/nfs/dbraw/zinc/50/67/20/719506720.db2.gz	PUMMMAHKTPCNQV-UHFFFAOYSA-N	0	0	430.480	3.317	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)c1	ZINC001164758997	721004570	/nfs/dbraw/zinc/00/45/70/721004570.db2.gz	YGRONHBGELBXFF-IMJJTQAJSA-N	0	0	426.807	3.004	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@H]3[C@@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1	ZINC001164769643	721050149	/nfs/dbraw/zinc/05/01/49/721050149.db2.gz	JSPZGHFWMOOMQD-GJZGRUSLSA-N	0	0	437.834	3.271	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@@H]32)N=C1C	ZINC001164870209	721228459	/nfs/dbraw/zinc/22/84/59/721228459.db2.gz	GJLAWWZNKMLKPC-PZSREKOKSA-N	0	0	427.839	3.054	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3COC[C@@]3(COc3ncccc3F)C2)cnc1Cl	ZINC001164789779	721484960	/nfs/dbraw/zinc/48/49/60/721484960.db2.gz	CJAYDTBJSORNFT-SJKOYZFVSA-N	0	0	444.797	3.254	20	5		IGBDRN
O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164895136	721503512	/nfs/dbraw/zinc/50/35/12/721503512.db2.gz	AOVWUFPKNGHLDZ-CYBMUJFWSA-N	0	0	437.834	3.226	20	5		IGBDRN
CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001165009932	721695986	/nfs/dbraw/zinc/69/59/86/721695986.db2.gz	RXMFHBZIDIGRFU-UHFFFAOYSA-N	0	0	429.859	3.030	20	5		IGBDRN
c1cncc(CN2CCOC[C@@]3(CN(c4ccc5ccc6cccnc6c5n4)CCO3)C2)c1	ZINC001164912068	721774984	/nfs/dbraw/zinc/77/49/84/721774984.db2.gz	JZIZHDIMVICFLQ-SANMLTNESA-N	0	0	441.535	3.286	20	5		IGBDRN
O=C1N(c2cncnc2)CC[C@]12CCCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001165016334	721783201	/nfs/dbraw/zinc/78/32/01/721783201.db2.gz	CDYVCNAWGODLNB-KRWDZBQOSA-N	0	0	438.822	3.002	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(c2cc(C)nc(-c3ccc([N+](=O)[O-])cc3)n2)CC1	ZINC001164919580	721819802	/nfs/dbraw/zinc/81/98/02/721819802.db2.gz	UDTROBUNRLBRDG-UHFFFAOYSA-N	0	0	433.516	3.306	20	5		IGBDRN
CN1C(=O)CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164930039	721894327	/nfs/dbraw/zinc/89/43/27/721894327.db2.gz	BHBNNTDLCTVLQK-JKSUJKDBSA-N	0	0	437.834	3.450	20	5		IGBDRN
CN1C(=O)CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164936421	721894555	/nfs/dbraw/zinc/89/45/55/721894555.db2.gz	YSGJXJUQHFZNJE-JKSUJKDBSA-N	0	0	437.834	3.450	20	5		IGBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)CC2	ZINC001164945026	721972519	/nfs/dbraw/zinc/97/25/19/721972519.db2.gz	NCIQCVFHIZBVIZ-UHFFFAOYSA-N	0	0	431.496	3.114	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ccc([N+](=O)[O-])c(OC(C)C)n4)CC[C@@H]32)cs1	ZINC001164992197	722185610	/nfs/dbraw/zinc/18/56/10/722185610.db2.gz	VGWIHOSGHPMNAV-HKUYNNGSSA-N	0	0	447.561	3.412	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc3ccc([N+](=O)[O-])cc3n1)C2	ZINC001165003875	722263139	/nfs/dbraw/zinc/26/31/39/722263139.db2.gz	LFOQPESLXAZPHJ-HSZRJFAPSA-N	0	0	435.459	3.210	20	5		IGBDRN
CSc1nc(Cl)c([N+](=O)[O-])c(N2CCc3c(CN(C)C)nn(C(C)C)c3C2)n1	ZINC001164645947	719307937	/nfs/dbraw/zinc/30/79/37/719307937.db2.gz	AKSVRKCQNPULMK-UHFFFAOYSA-N	0	0	425.946	3.162	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1	ZINC001164728686	720444391	/nfs/dbraw/zinc/44/43/91/720444391.db2.gz	FZGMTTPNNQDGRY-NEPJUHHUSA-N	0	0	428.802	3.305	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3COC[C@]3(COc3ncccc3F)C2)cnc1Cl	ZINC001164789776	721485117	/nfs/dbraw/zinc/48/51/17/721485117.db2.gz	CJAYDTBJSORNFT-PXAZEXFGSA-N	0	0	444.797	3.254	20	5		IGBDRN
CN1C(=O)CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164930035	721894220	/nfs/dbraw/zinc/89/42/20/721894220.db2.gz	BHBNNTDLCTVLQK-HOTGVXAUSA-N	0	0	437.834	3.450	20	5		IGBDRN
O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]21)NC1CCC1	ZINC001164931573	721895716	/nfs/dbraw/zinc/89/57/16/721895716.db2.gz	FAKRNGOZQYQQMA-WHOFXGATSA-N	0	0	444.866	3.088	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21	ZINC001164943226	721956860	/nfs/dbraw/zinc/95/68/60/721956860.db2.gz	HCJLREWBROHRCP-PMACEKPBSA-N	0	0	443.891	3.491	20	5		IGBDRN
CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164991840	722187522	/nfs/dbraw/zinc/18/75/22/722187522.db2.gz	QBZCXQJDAUEKCM-ZDUSSCGKSA-N	0	0	446.882	3.290	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@@H]2CCCO[C@@H]12	ZINC001164655268	719324465	/nfs/dbraw/zinc/32/44/65/719324465.db2.gz	PGVCMYUGZCGRGK-XGWLTEMNSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2Cc3cncn3C[C@H](COCC3CC3)C2)nc1Cl	ZINC001164758262	720974735	/nfs/dbraw/zinc/97/47/35/720974735.db2.gz	ULNZHMBUPGQMNO-ZDUSSCGKSA-N	0	0	427.839	3.448	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2Cc3cncn3C[C@@H](COCC3CC3)C2)nc1Cl	ZINC001164758261	720975135	/nfs/dbraw/zinc/97/51/35/720975135.db2.gz	ULNZHMBUPGQMNO-CYBMUJFWSA-N	0	0	427.839	3.448	20	5		IGBDRN
CCOc1nc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)ccc1[N+](=O)[O-]	ZINC001164786047	721360074	/nfs/dbraw/zinc/36/00/74/721360074.db2.gz	VCVJFYPDGKVJPP-JOCHJYFZSA-N	0	0	445.520	3.112	20	5		IGBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H]2CCCO[C@@H]12	ZINC001164805117	721583549	/nfs/dbraw/zinc/58/35/49/721583549.db2.gz	KRJVODFABOQWJD-CQOQZXRMSA-N	0	0	446.511	3.315	20	5		IGBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H]2CCCO[C@H]12	ZINC001164805124	721583794	/nfs/dbraw/zinc/58/37/94/721583794.db2.gz	KRJVODFABOQWJD-ZDXQCDESSA-N	0	0	446.511	3.315	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)nc1Cl	ZINC001164921705	721838020	/nfs/dbraw/zinc/83/80/20/721838020.db2.gz	FEUMRNWNHZPCIR-ACJLOTCBSA-N	0	0	440.834	3.253	20	5		IGBDRN
COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc(C)c2[N+](=O)[O-])CC1	ZINC001165022162	721838060	/nfs/dbraw/zinc/83/80/60/721838060.db2.gz	PVHZRDFIYPOFEW-UHFFFAOYSA-N	0	0	435.912	3.465	20	5		IGBDRN
O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@@H]21)NC1CCC1	ZINC001164931574	721895765	/nfs/dbraw/zinc/89/57/65/721895765.db2.gz	FAKRNGOZQYQQMA-ZLDLUXBVSA-N	0	0	444.866	3.088	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21	ZINC001164946319	721962713	/nfs/dbraw/zinc/96/27/13/721962713.db2.gz	NACMSNNNJDVRRP-NHCUHLMSSA-N	0	0	435.484	3.351	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc4ccc(Cl)nc4cc3[N+](=O)[O-])C[C@H]21	ZINC001164942894	721963186	/nfs/dbraw/zinc/96/31/86/721963186.db2.gz	DHNXPWZSFNDTDL-WOJBJXKFSA-N	0	0	443.891	3.491	20	5		IGBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1nccc3ccc([N+](=O)[O-])cc31)CC2	ZINC001164946857	721977420	/nfs/dbraw/zinc/97/74/20/721977420.db2.gz	LRIPIALIORBIEG-UHFFFAOYSA-N	0	0	431.496	3.114	20	5		IGBDRN
COC[C@]12COC[C@@H]1CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2	ZINC001164948744	721996402	/nfs/dbraw/zinc/99/64/02/721996402.db2.gz	BCQJSBNUSZQCPG-SCLBCKFNSA-N	0	0	440.834	3.349	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5cc([N+](=O)[O-])ccc54)CC[C@H]32)cs1	ZINC001164992750	722180674	/nfs/dbraw/zinc/18/06/74/722180674.db2.gz	TXUAPXPOAXFLLN-UXHICEINSA-N	0	0	440.529	3.173	20	5		IGBDRN
CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1	ZINC001164999210	722226211	/nfs/dbraw/zinc/22/62/11/722226211.db2.gz	KBYDBTKMUCMXRR-CQSZACIVSA-N	0	0	442.854	3.402	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]2CCCO[C@H]12	ZINC001164652707	719324442	/nfs/dbraw/zinc/32/44/42/719324442.db2.gz	DYSUCJWKCJKURR-AHIWAGSCSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@@H]2CCCO[C@@H]12	ZINC001164652709	719324517	/nfs/dbraw/zinc/32/45/17/719324517.db2.gz	DYSUCJWKCJKURR-OGHNNQOOSA-N	0	0	444.866	3.088	20	5		IGBDRN
Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC3)cn1	ZINC001164698769	719825431	/nfs/dbraw/zinc/82/54/31/719825431.db2.gz	UKYNEPBELVSXHD-LBPRGKRZSA-N	0	0	427.839	3.465	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3nc4ccccc4c(Cl)c3[N+](=O)[O-])C[C@H]21	ZINC001164944744	721943553	/nfs/dbraw/zinc/94/35/53/721943553.db2.gz	RWYVNMAYTTXJEH-MSOLQXFVSA-N	0	0	443.891	3.491	20	5		IGBDRN
COC[C@@]12COC[C@H]1CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2	ZINC001164948742	721996530	/nfs/dbraw/zinc/99/65/30/721996530.db2.gz	BCQJSBNUSZQCPG-ACJLOTCBSA-N	0	0	440.834	3.349	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)C2	ZINC001165008669	722263869	/nfs/dbraw/zinc/26/38/69/722263869.db2.gz	XNGQVCGYIJJTCW-HSZRJFAPSA-N	0	0	435.459	3.210	20	5		IGBDRN
COC(=O)C1C(C)=NC(=S)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1	ZINC000011213377	562978791	/nfs/dbraw/zinc/97/87/91/562978791.db2.gz	IJFHFJADSAGAJR-HXUWFJFHSA-N	0	0	449.492	3.413	20	5		IGBDRN
CC(C)N(C)C(=O)c1noc2c1CN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164696482	719786304	/nfs/dbraw/zinc/78/63/04/719786304.db2.gz	SWHDMSDOQGHATF-UHFFFAOYSA-N	0	0	429.811	3.219	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4ccc([N+](=O)[O-])c(Cl)n4)C[C@@H]32)N=C1C	ZINC001164875034	721227837	/nfs/dbraw/zinc/22/78/37/721227837.db2.gz	VPUKKQUDCKBDMR-BWACUDIHSA-N	0	0	427.839	3.054	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164777371	721339435	/nfs/dbraw/zinc/33/94/35/721339435.db2.gz	GMUDYHNGHUAYAH-FQEVSTJZSA-N	0	0	435.912	3.367	20	5		IGBDRN
O=C1NC2(C[C@@H]1c1ccncc1)CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164898982	721503290	/nfs/dbraw/zinc/50/32/90/721503290.db2.gz	WBYJCHCJIDXERP-CQSZACIVSA-N	0	0	437.834	3.226	20	5		IGBDRN
CC(C)N(C)Cc1nnc2n1CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001165011462	721698608	/nfs/dbraw/zinc/69/86/08/721698608.db2.gz	TVGUXMRDEBKSQV-UHFFFAOYSA-N	0	0	429.859	3.030	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@@H]3COC[C@]3(COCc3ccccn3)C2)cnc1Cl	ZINC001164926858	721837537	/nfs/dbraw/zinc/83/75/37/721837537.db2.gz	SSRSRNHIXFFHTA-KDOFPFPSSA-N	0	0	440.834	3.253	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@@H]2CN(c3cc(Cl)nc4ccc([N+](=O)[O-])cc43)C[C@@H]21	ZINC001164943232	721956868	/nfs/dbraw/zinc/95/68/68/721956868.db2.gz	HCJLREWBROHRCP-VQTJNVASSA-N	0	0	443.891	3.491	20	5		IGBDRN
Cc1noc(C)c1CN1CCO[C@H]2CN(c3ccc([N+](=O)[O-])c(-c4ccccc4)n3)C[C@H]21	ZINC001164946320	721962590	/nfs/dbraw/zinc/96/25/90/721962590.db2.gz	NACMSNNNJDVRRP-RTWAWAEBSA-N	0	0	435.484	3.351	20	5		IGBDRN
COC[C@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)C2	ZINC001164953806	721996342	/nfs/dbraw/zinc/99/63/42/721996342.db2.gz	ZKZSSKDGYIEISR-FZKQIMNGSA-N	0	0	440.834	3.349	20	5		IGBDRN
COC[C@@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)C2	ZINC001164953805	721996425	/nfs/dbraw/zinc/99/64/25/721996425.db2.gz	ZKZSSKDGYIEISR-ACJLOTCBSA-N	0	0	440.834	3.349	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4cnc5cc([N+](=O)[O-])ccc5n4)CC[C@H]32)cs1	ZINC001164982933	722177963	/nfs/dbraw/zinc/17/79/63/722177963.db2.gz	ADQKESVYQAJRGH-UXHICEINSA-N	0	0	440.529	3.173	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc3ccc([N+](=O)[O-])cc31)C2	ZINC001165008020	722267133	/nfs/dbraw/zinc/26/71/33/722267133.db2.gz	UYBQHUHVROVMAO-HSZRJFAPSA-N	0	0	435.459	3.210	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)C[C@H]2CCCO[C@@H]21	ZINC001164652713	719324477	/nfs/dbraw/zinc/32/44/77/719324477.db2.gz	DYSUCJWKCJKURR-XNJGSVPQSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2Cc3cncn3C[C@H](COCC3CC3)C2)cnc1Cl	ZINC001164756786	720973230	/nfs/dbraw/zinc/97/32/30/720973230.db2.gz	LDWXFIHTENJESP-ZDUSSCGKSA-N	0	0	427.839	3.448	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1	ZINC001164781963	721427303	/nfs/dbraw/zinc/42/73/03/721427303.db2.gz	DWDNPLVJCFLNFU-IUCAKERBSA-N	0	0	434.831	3.082	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)cnc1Cl	ZINC001164789780	721485020	/nfs/dbraw/zinc/48/50/20/721485020.db2.gz	CJAYDTBJSORNFT-YVEFUNNKSA-N	0	0	444.797	3.254	20	5		IGBDRN
Cc1cc(N2CCCn3c(CN(C)C(C)C)nnc3C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC001165008923	721714861	/nfs/dbraw/zinc/71/48/61/721714861.db2.gz	LGCOJDKANVHMNF-UHFFFAOYSA-N	0	0	436.520	3.202	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@]3(C[C@H](Oc4cccnc4)CO3)C2)c1	ZINC001164915123	721805537	/nfs/dbraw/zinc/80/55/37/721805537.db2.gz	IFRWHYQPTXYAHM-YOEHRIQHSA-N	0	0	426.807	3.400	20	5		IGBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc3cccc([N+](=O)[O-])c3n1)CC2	ZINC001164944971	721973000	/nfs/dbraw/zinc/97/30/00/721973000.db2.gz	LJKBRUOEBKQUEX-UHFFFAOYSA-N	0	0	431.496	3.114	20	5		IGBDRN
O=C(NCc1cccnc1)[C@@H]1C[C@@]12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)C2	ZINC001164957509	722032570	/nfs/dbraw/zinc/03/25/70/722032570.db2.gz	MMJOWYLIZLRBPO-KBXCAEBGSA-N	0	0	437.834	3.116	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5cc([N+](=O)[O-])ccc54)CC[C@@H]32)cs1	ZINC001164992746	722180643	/nfs/dbraw/zinc/18/06/43/722180643.db2.gz	TXUAPXPOAXFLLN-PMACEKPBSA-N	0	0	440.529	3.173	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)CC[C@@H]32)cs1	ZINC001164987879	722183831	/nfs/dbraw/zinc/18/38/31/722183831.db2.gz	IUSIDJWIUORLFS-WMZOPIPTSA-N	0	0	428.518	3.106	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@@H]2CCCO[C@H]12	ZINC001164656057	719323836	/nfs/dbraw/zinc/32/38/36/719323836.db2.gz	VDODWPXJPIGYMM-QEORTHHSSA-N	0	0	444.866	3.088	20	5		IGBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1c(C)c([N+](=O)[O-])cc[n+]1[O-])CC2	ZINC001164660756	719351836	/nfs/dbraw/zinc/35/18/36/719351836.db2.gz	YQZQSKZENGBWLQ-UHFFFAOYSA-N	0	0	448.527	3.231	20	5		IGBDRN
COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1	ZINC001164700086	719858762	/nfs/dbraw/zinc/85/87/62/719858762.db2.gz	GFRLYTTWNKHQEE-SZNDQCEHSA-N	0	0	448.907	3.029	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1	ZINC001164774603	721052210	/nfs/dbraw/zinc/05/22/10/721052210.db2.gz	XBRNPZNEKMJSCC-JKSUJKDBSA-N	0	0	437.834	3.271	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)ncc3[N+](=O)[O-])C2)C1	ZINC001164777373	721339503	/nfs/dbraw/zinc/33/95/03/721339503.db2.gz	GMUDYHNGHUAYAH-HXUWFJFHSA-N	0	0	435.912	3.367	20	5		IGBDRN
O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)C2	ZINC001165024652	721783716	/nfs/dbraw/zinc/78/37/16/721783716.db2.gz	YLROPTJXVBQQAU-QGZVFWFLSA-N	0	0	438.822	3.002	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)cnc1Cl	ZINC001164915070	721804642	/nfs/dbraw/zinc/80/46/42/721804642.db2.gz	HRDLZQIOONKKOQ-RHSMWYFYSA-N	0	0	426.807	3.400	20	5		IGBDRN
COC[C@]12COC[C@@H]1CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2	ZINC001164950361	721996873	/nfs/dbraw/zinc/99/68/73/721996873.db2.gz	IVHVVHJLAJQNDW-KPZWWZAWSA-N	0	0	440.834	3.349	20	5		IGBDRN
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1	ZINC001164995585	722212597	/nfs/dbraw/zinc/21/25/97/722212597.db2.gz	JUJTWRZKRQHVTM-OAQYLSRUSA-N	0	0	428.468	3.036	20	5		IGBDRN
CC(C)n1nc(CN(C)C)c2c1CN(c1nc(C(F)(F)F)nc(Cl)c1[N+](=O)[O-])CC2	ZINC001164652162	719315533	/nfs/dbraw/zinc/31/55/33/719315533.db2.gz	OSPKYQGVDBEVJP-UHFFFAOYSA-N	0	0	447.849	3.459	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)n1	ZINC001164769639	721050084	/nfs/dbraw/zinc/05/00/84/721050084.db2.gz	JSPZGHFWMOOMQD-CABCVRRESA-N	0	0	437.834	3.271	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cc([N+](=O)[O-])cnc4Cl)C[C@H]32)N=C1C	ZINC001164870207	721228766	/nfs/dbraw/zinc/22/87/66/721228766.db2.gz	GJLAWWZNKMLKPC-JDSLSITLSA-N	0	0	427.839	3.054	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nccc(Cl)c3[N+](=O)[O-])C2)C1	ZINC001164778383	721334623	/nfs/dbraw/zinc/33/46/23/721334623.db2.gz	UZCAQRQDQVBUMC-HXUWFJFHSA-N	0	0	435.912	3.367	20	5		IGBDRN
O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164894265	721488863	/nfs/dbraw/zinc/48/88/63/721488863.db2.gz	GWWZGNLTRYAUHI-LBPRGKRZSA-N	0	0	444.866	3.232	20	5		IGBDRN
CC(C)Oc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@H]32)ccc1[N+](=O)[O-]	ZINC001164803343	721583089	/nfs/dbraw/zinc/58/30/89/721583089.db2.gz	HOLVCIXHQPUKMC-SLYNCCJLSA-N	0	0	427.505	3.040	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC1	ZINC001164916200	721812667	/nfs/dbraw/zinc/81/26/67/721812667.db2.gz	FWGGXBKWQILZQH-UHFFFAOYSA-N	0	0	426.855	3.134	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ccc5[nH]cc([N+](=O)[O-])c5n4)CC[C@H]32)cs1	ZINC001164987870	722183844	/nfs/dbraw/zinc/18/38/44/722183844.db2.gz	IUSIDJWIUORLFS-AEFFLSMTSA-N	0	0	428.518	3.106	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2	ZINC001165006694	722264116	/nfs/dbraw/zinc/26/41/16/722264116.db2.gz	KSFSDGANOABSAN-QHCPKHFHSA-N	0	0	435.459	3.210	20	5		IGBDRN
Cn1cc([C@H]2COC3(C2)CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC3)cn1	ZINC001164698767	719825379	/nfs/dbraw/zinc/82/53/79/719825379.db2.gz	UKYNEPBELVSXHD-GFCCVEGCSA-N	0	0	427.839	3.465	20	5		IGBDRN
COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1	ZINC001164700083	719858701	/nfs/dbraw/zinc/85/87/01/719858701.db2.gz	GFRLYTTWNKHQEE-LHSJRXKWSA-N	0	0	448.907	3.029	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@@H]32)cnc1Cl	ZINC001164758310	721002992	/nfs/dbraw/zinc/00/29/92/721002992.db2.gz	UZULPXFGGCZTFZ-KBMXLJTQSA-N	0	0	426.807	3.004	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@H]3COC[C@H]32)nc1Cl	ZINC001164758327	721004210	/nfs/dbraw/zinc/00/42/10/721004210.db2.gz	VFRMQSPBSTWRGE-CFVMTHIKSA-N	0	0	426.807	3.004	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)nc1Cl	ZINC001164793776	721485792	/nfs/dbraw/zinc/48/57/92/721485792.db2.gz	VUFDYXDAYUVFIJ-APPDUMDISA-N	0	0	444.797	3.254	20	5		IGBDRN
O=C1NC2(C[C@H]1c1ccncc1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164898023	721503549	/nfs/dbraw/zinc/50/35/49/721503549.db2.gz	PTXSAYSYKZVQDA-AWEZNQCLSA-N	0	0	437.834	3.226	20	5		IGBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@H]2CCCO[C@@H]12	ZINC001164805120	721583905	/nfs/dbraw/zinc/58/39/05/721583905.db2.gz	KRJVODFABOQWJD-WMTXJRDZSA-N	0	0	446.511	3.315	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@@H]3COC[C@@]3(COCc3ccccn3)C2)nc1Cl	ZINC001164921706	721838113	/nfs/dbraw/zinc/83/81/13/721838113.db2.gz	FEUMRNWNHZPCIR-FZKQIMNGSA-N	0	0	440.834	3.253	20	5		IGBDRN
CN1C(=O)CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccc([N+](=O)[O-])cc2)nnc1Cl	ZINC001164936417	721894593	/nfs/dbraw/zinc/89/45/93/721894593.db2.gz	YSGJXJUQHFZNJE-HOTGVXAUSA-N	0	0	437.834	3.450	20	5		IGBDRN
O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@@H]21)NC1CCC1	ZINC001164933974	721895141	/nfs/dbraw/zinc/89/51/41/721895141.db2.gz	NTLJTCLNZTVFRD-WPGHFRTFSA-N	0	0	444.866	3.088	20	5		IGBDRN
COC[C@]12COC[C@H]1CN(C(F)(F)c1cc(-c3ccccc3[N+](=O)[O-])nnc1Cl)C2	ZINC001164950362	721996954	/nfs/dbraw/zinc/99/69/54/721996954.db2.gz	IVHVVHJLAJQNDW-KZULUSFZSA-N	0	0	440.834	3.349	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164963165	722063662	/nfs/dbraw/zinc/06/36/62/722063662.db2.gz	AXSOXJKANHUMPI-VXGBXAGGSA-N	0	0	429.836	3.138	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164965229	722064033	/nfs/dbraw/zinc/06/40/33/722064033.db2.gz	JPAORDDGYUOMML-QWRGUYRKSA-N	0	0	429.836	3.138	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1	ZINC001164965225	722064147	/nfs/dbraw/zinc/06/41/47/722064147.db2.gz	JPAORDDGYUOMML-MNOVXSKESA-N	0	0	429.836	3.138	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164964465	722064394	/nfs/dbraw/zinc/06/43/94/722064394.db2.gz	GZRUHOIDWUULMX-CHWSQXEVSA-N	0	0	429.836	3.138	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5cc([N+](=O)[O-])ccc54)CC[C@H]32)cs1	ZINC001164992754	722180698	/nfs/dbraw/zinc/18/06/98/722180698.db2.gz	TXUAPXPOAXFLLN-WOJBJXKFSA-N	0	0	440.529	3.173	20	5		IGBDRN
CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)CC2	ZINC001164992422	722187424	/nfs/dbraw/zinc/18/74/24/722187424.db2.gz	SJJMGQXVFLJKAJ-CQSZACIVSA-N	0	0	446.882	3.290	20	5		IGBDRN
CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(N)c([N+](=O)[O-])cn1)CC2	ZINC001164658376	719351093	/nfs/dbraw/zinc/35/10/93/719351093.db2.gz	FSYOAOGOJYJOEI-UHFFFAOYSA-N	0	0	433.516	3.267	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2Cc3cncn3C[C@H](COCC3CC3)C2)c1	ZINC001164756996	720976214	/nfs/dbraw/zinc/97/62/14/720976214.db2.gz	LQKOKNUATVRAPL-ZDUSSCGKSA-N	0	0	427.839	3.448	20	5		IGBDRN
CC(C)Oc1nc(N2C[C@H](N(C)Cc3cccnc3)[C@H]3OCCC[C@@H]32)ccc1[N+](=O)[O-]	ZINC001164803337	721583161	/nfs/dbraw/zinc/58/31/61/721583161.db2.gz	HOLVCIXHQPUKMC-CUWPLCDZSA-N	0	0	427.505	3.040	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)nc1Cl	ZINC001164914546	721805277	/nfs/dbraw/zinc/80/52/77/721805277.db2.gz	DBQLNJATCAIZAL-CXAGYDPISA-N	0	0	426.807	3.400	20	5		IGBDRN
Cc1cnc2n1CCN(C)C21CCN(C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)CC1	ZINC001164918443	721813855	/nfs/dbraw/zinc/81/38/55/721813855.db2.gz	YGOZQMKSPAQUBQ-UHFFFAOYSA-N	0	0	426.855	3.134	20	5		IGBDRN
CN1C(=O)CC[C@@H]2[C@H]1CCN2C(F)(F)c1cc(-c2cccc([N+](=O)[O-])c2)nnc1Cl	ZINC001164930037	721894270	/nfs/dbraw/zinc/89/42/70/721894270.db2.gz	BHBNNTDLCTVLQK-HZPDHXFCSA-N	0	0	437.834	3.450	20	5		IGBDRN
Cn1ccc(CN2CCOCC23CCN(c2ccc([N+](=O)[O-])c(-c4ccccc4)n2)CC3)n1	ZINC001164935792	721909774	/nfs/dbraw/zinc/90/97/74/721909774.db2.gz	OZMMAVIJQXLDOY-UHFFFAOYSA-N	0	0	448.527	3.262	20	5		IGBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)CC2	ZINC001164946764	721973140	/nfs/dbraw/zinc/97/31/40/721973140.db2.gz	VWHGJOJPFUJVHQ-UHFFFAOYSA-N	0	0	431.496	3.114	20	5		IGBDRN
COC[C@@]12COC[C@@H]1CN(C(F)(F)c1cc(-c3ccc([N+](=O)[O-])cc3)nnc1Cl)C2	ZINC001164953808	721996388	/nfs/dbraw/zinc/99/63/88/721996388.db2.gz	ZKZSSKDGYIEISR-UGSOOPFHSA-N	0	0	440.834	3.349	20	5		IGBDRN
CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1	ZINC001164998961	722226361	/nfs/dbraw/zinc/22/63/61/722226361.db2.gz	GKISDWSDRGTMCG-CQSZACIVSA-N	0	0	442.854	3.402	20	5		IGBDRN
Cc1cc(Cl)nc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)c1[N+](=O)[O-]	ZINC001165005485	722262940	/nfs/dbraw/zinc/26/29/40/722262940.db2.gz	XOBYVXJGUORDOK-FQEVSTJZSA-N	0	0	433.871	3.018	20	5		IGBDRN
CCOc1nc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)ccc1[N+](=O)[O-]	ZINC001164674053	719518062	/nfs/dbraw/zinc/51/80/62/719518062.db2.gz	ZLBFAVDKSKTKOR-UHFFFAOYSA-N	0	0	430.480	3.399	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1	ZINC001164774602	721051812	/nfs/dbraw/zinc/05/18/12/721051812.db2.gz	XBRNPZNEKMJSCC-HZPDHXFCSA-N	0	0	437.834	3.271	20	5		IGBDRN
Cc1cccc(CN2C(=O)C[C@H]3[C@H]2CCN3C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)n1	ZINC001164774600	721052128	/nfs/dbraw/zinc/05/21/28/721052128.db2.gz	XBRNPZNEKMJSCC-CVEARBPZSA-N	0	0	437.834	3.271	20	5		IGBDRN
COc1cc(C)nc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)c1[N+](=O)[O-]	ZINC001164776847	721347363	/nfs/dbraw/zinc/34/73/63/721347363.db2.gz	DHQMTSLOAJFIGU-QFIPXVFZSA-N	0	0	445.520	3.031	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3COC[C@@]3(COc3ncccc3F)C2)c1	ZINC001164791682	721485887	/nfs/dbraw/zinc/48/58/87/721485887.db2.gz	DONYLKGDWSZUPG-APPDUMDISA-N	0	0	444.797	3.254	20	5		IGBDRN
O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)c3cnc(Cl)c([N+](=O)[O-])c3)CC[C@H]21)NC1CCC1	ZINC001164933972	721895080	/nfs/dbraw/zinc/89/50/80/721895080.db2.gz	NTLJTCLNZTVFRD-PEYYIBSZSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@H]2[C@@H]1CCN2C(F)(F)c1cc([N+](=O)[O-])cnc1Cl	ZINC001164964476	722064383	/nfs/dbraw/zinc/06/43/83/722064383.db2.gz	GZRUHOIDWUULMX-STQMWFEESA-N	0	0	429.836	3.138	20	5		IGBDRN
CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2ccc([N+](=O)[O-])c(Cl)n2)n1	ZINC001164998351	722226524	/nfs/dbraw/zinc/22/65/24/722226524.db2.gz	AVDRKEPWOGTVPE-ZDUSSCGKSA-N	0	0	442.854	3.402	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cc([N+](=O)[O-])cnc2Cl)C[C@H]2CCCO[C@H]21	ZINC001164655264	719324409	/nfs/dbraw/zinc/32/44/09/719324409.db2.gz	PGVCMYUGZCGRGK-SRCQZFHVSA-N	0	0	444.866	3.088	20	5		IGBDRN
CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164723382	720310996	/nfs/dbraw/zinc/31/09/96/720310996.db2.gz	OKBMAFHIPRXJHN-OAHLLOKOSA-N	0	0	442.854	3.205	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2Cc3cncn3C[C@@H](COCC3CC3)C2)cnc1Cl	ZINC001164756785	720972729	/nfs/dbraw/zinc/97/27/29/720972729.db2.gz	LDWXFIHTENJESP-CYBMUJFWSA-N	0	0	427.839	3.448	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@H]32)N=C1C	ZINC001164870714	721226132	/nfs/dbraw/zinc/22/61/32/721226132.db2.gz	HDZLJZNGLHHAFK-CJBNDPTMSA-N	0	0	427.839	3.054	20	5		IGBDRN
CC(C)C(=O)N[C@H]1COCCC12CCN(C(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)CC2	ZINC001164897915	721500747	/nfs/dbraw/zinc/50/07/47/721500747.db2.gz	ORQSNCZVQUADIR-HNNXBMFYSA-N	0	0	446.882	3.336	20	5		IGBDRN
O=[N+]([O-])c1cc(C(F)(F)N2CC[C@]3(C[C@@H](Oc4cccnc4)CO3)C2)cnc1Cl	ZINC001164915069	721804626	/nfs/dbraw/zinc/80/46/26/721804626.db2.gz	HRDLZQIOONKKOQ-PBHICJAKSA-N	0	0	426.807	3.400	20	5		IGBDRN
COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)nc(Cl)c2[N+](=O)[O-])CC1	ZINC001165021441	721839034	/nfs/dbraw/zinc/83/90/34/721839034.db2.gz	MYEQTCPAPFZSTQ-UHFFFAOYSA-N	0	0	435.912	3.465	20	5		IGBDRN
CN1C(=O)CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cc(-c2ccccc2[N+](=O)[O-])nnc1Cl	ZINC001164929841	721894572	/nfs/dbraw/zinc/89/45/72/721894572.db2.gz	ALHSZNZBZURUTG-JKSUJKDBSA-N	0	0	437.834	3.450	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5ccc([N+](=O)[O-])cc54)CC[C@H]32)cs1	ZINC001164991732	722180397	/nfs/dbraw/zinc/18/03/97/722180397.db2.gz	QUUBWAIQEPARNZ-UXHICEINSA-N	0	0	440.529	3.173	20	5		IGBDRN
CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ccc3c(cccc3[N+](=O)[O-])n1)C2	ZINC001165006693	722264113	/nfs/dbraw/zinc/26/41/13/722264113.db2.gz	KSFSDGANOABSAN-HSZRJFAPSA-N	0	0	435.459	3.210	20	5		IGBDRN
O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)C[C@H]2CCCO[C@@H]21	ZINC001164656056	719323788	/nfs/dbraw/zinc/32/37/88/719323788.db2.gz	VDODWPXJPIGYMM-MRRJBJDNSA-N	0	0	444.866	3.088	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1	ZINC001164728690	720444632	/nfs/dbraw/zinc/44/46/32/720444632.db2.gz	FZGMTTPNNQDGRY-NWDGAFQWSA-N	0	0	428.802	3.305	20	5		IGBDRN
Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(C)cc(C)c3[N+](=O)[O-])C2)C1	ZINC001164776858	721353813	/nfs/dbraw/zinc/35/38/13/721353813.db2.gz	DOJIFOMWKIPPMB-JOCHJYFZSA-N	0	0	429.521	3.330	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2CC[C@@]3(C[C@@H](Oc4cccnc4)CO3)C2)c1	ZINC001164915121	721805602	/nfs/dbraw/zinc/80/56/02/721805602.db2.gz	IFRWHYQPTXYAHM-RHSMWYFYSA-N	0	0	426.807	3.400	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1CCN(CCOc2ccccc2)CC1	ZINC001165044422	721959584	/nfs/dbraw/zinc/95/95/84/721959584.db2.gz	LAUCQKSJVBXULU-UHFFFAOYSA-N	0	0	431.802	3.258	20	5		IGBDRN
O=C1NCCN(Cc2ccccc2)C12CCN(c1nccc3cc([N+](=O)[O-])ccc31)CC2	ZINC001164950415	721981607	/nfs/dbraw/zinc/98/16/07/721981607.db2.gz	TVRZNOJGJPQUAW-UHFFFAOYSA-N	0	0	431.496	3.114	20	5		IGBDRN
O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2C(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1	ZINC001164963155	722063666	/nfs/dbraw/zinc/06/36/66/722063666.db2.gz	AXSOXJKANHUMPI-NWDGAFQWSA-N	0	0	429.836	3.138	20	5		IGBDRN
Cn1cc([C@@H]2COC3(C2)CCN(C(F)(F)c2cnc(Cl)c([N+](=O)[O-])c2)CC3)cn1	ZINC001164702067	719825021	/nfs/dbraw/zinc/82/50/21/719825021.db2.gz	QQPZINZKSVHSJB-LBPRGKRZSA-N	0	0	427.839	3.465	20	5		IGBDRN
O=[N+]([O-])c1ccc(C(F)(F)N2C[C@H](OCc3cccnc3)[C@@H]3COC[C@H]32)nc1Cl	ZINC001164758331	721004709	/nfs/dbraw/zinc/00/47/09/721004709.db2.gz	VFRMQSPBSTWRGE-YUELXQCFSA-N	0	0	426.807	3.004	20	5		IGBDRN
CCN1C(=O)[C@]2(CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c([N+](=O)[O-])c4)C[C@@H]32)N=C1C	ZINC001164870710	721225949	/nfs/dbraw/zinc/22/59/49/721225949.db2.gz	HDZLJZNGLHHAFK-BTJLNZGRSA-N	0	0	427.839	3.054	20	5		IGBDRN
O=[N+]([O-])c1c(Cl)nc(C(F)(F)F)nc1N1C[C@H]2CN(Cc3nccs3)C[C@@H]2C1	ZINC001164781966	721427433	/nfs/dbraw/zinc/42/74/33/721427433.db2.gz	DWDNPLVJCFLNFU-RKDXNWHRSA-N	0	0	434.831	3.082	20	5		IGBDRN
O=[N+]([O-])c1cnc(Cl)c(C(F)(F)N2C[C@H]3COC[C@]3(COc3ncccc3F)C2)c1	ZINC001164791684	721486085	/nfs/dbraw/zinc/48/60/85/721486085.db2.gz	DONYLKGDWSZUPG-GTNSWQLSSA-N	0	0	444.797	3.254	20	5		IGBDRN
O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1cc([N+](=O)[O-])cnc1Cl)CC2	ZINC001164894262	721488971	/nfs/dbraw/zinc/48/89/71/721488971.db2.gz	GWWZGNLTRYAUHI-GFCCVEGCSA-N	0	0	444.866	3.232	20	5		IGBDRN
CN(Cc1cccnc1)[C@@H]1CN(c2ccc(-c3ccccc3[N+](=O)[O-])nn2)[C@@H]2CCCO[C@H]12	ZINC001164805114	721583714	/nfs/dbraw/zinc/58/37/14/721583714.db2.gz	KRJVODFABOQWJD-AKFKNWHVSA-N	0	0	446.511	3.315	20	5		IGBDRN
O=C(C[C@@H]1OC[C@H]2CN(C(F)(F)c3ccc([N+](=O)[O-])c(Cl)n3)CC[C@H]21)NC1CCC1	ZINC001164931571	721895609	/nfs/dbraw/zinc/89/56/09/721895609.db2.gz	FAKRNGOZQYQQMA-KYOSRNDESA-N	0	0	444.866	3.088	20	5		IGBDRN
CCOC(=O)c1cnc(Cl)c([N+](=O)[O-])c1N1CCN(CCOc2ccccc2)CC1	ZINC001165043020	721953026	/nfs/dbraw/zinc/95/30/26/721953026.db2.gz	YIVQHVFOAUPTRJ-UHFFFAOYSA-N	0	0	434.880	3.021	20	5		IGBDRN
COC[C@]12COC[C@H]1CN(C(F)(F)c1cc(-c3cccc([N+](=O)[O-])c3)nnc1Cl)C2	ZINC001164948743	721996404	/nfs/dbraw/zinc/99/64/04/721996404.db2.gz	BCQJSBNUSZQCPG-FZKQIMNGSA-N	0	0	440.834	3.349	20	5		IGBDRN
Cc1nc(CN2CCO[C@@H]3CCN(c4ncnc5ccc([N+](=O)[O-])cc54)CC[C@@H]32)cs1	ZINC001164991733	722180677	/nfs/dbraw/zinc/18/06/77/722180677.db2.gz	QUUBWAIQEPARNZ-VQTJNVASSA-N	0	0	440.529	3.173	20	5		IGBDRN
CCOc1nc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)ccc1[N+](=O)[O-]	ZINC001164988054	722184298	/nfs/dbraw/zinc/18/42/98/722184298.db2.gz	JKRJBMPKFOWSFO-SJLPKXTDSA-N	0	0	433.534	3.023	20	5		IGBDRN
Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5cccc([N+](=O)[O-])c54)CC[C@H]32)cs1	ZINC001164988166	722186233	/nfs/dbraw/zinc/18/62/33/722186233.db2.gz	MKWGUIFYRTWPLO-MJGOQNOKSA-N	0	0	440.529	3.173	20	5		IGBDRN
CC(=O)Nc1nc(C)c([N+](=O)[O-])c(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1	ZINC001164995583	722212998	/nfs/dbraw/zinc/21/29/98/722212998.db2.gz	JUJTWRZKRQHVTM-NRFANRHFSA-N	0	0	428.468	3.036	20	5		IGBDRN
O=C(c1cc([N+](=O)[O-])ccc1N1CCOCC1)N1CCN(c2ccccc2Cl)CC1	ZINC000045496532	563134552	/nfs/dbraw/zinc/13/45/52/563134552.db2.gz	RJISPLJMWXHRML-UHFFFAOYSA-N	0	0	430.892	3.047	20	5		IGBDRN