smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@H]2C)C1	ZINC000247938645	570430890	/nfs/dbraw/zinc/43/08/90/570430890.db2.gz	WBKPWTDSOJYJKG-FMKPAKJESA-N	0	3	397.497	2.629	50	5		GFBAHN
CCN1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2)CC1	ZINC000006517649	204182330	/nfs/dbraw/zinc/18/23/30/204182330.db2.gz	RTYDFBGBURHMMC-UHFFFAOYSA-N	0	3	384.436	2.998	50	5		GFBAHN
CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@H](C)N2CCC[C@H](C)C2)cc1OC	ZINC000046954357	205107487	/nfs/dbraw/zinc/10/74/87/205107487.db2.gz	RUXHUIFMSBJKNY-KBPBESRZSA-N	0	3	379.457	2.852	50	5		GFBAHN
C[C@H](c1ccccc1)N1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000053580462	205136808	/nfs/dbraw/zinc/13/68/08/205136808.db2.gz	ORGNRXAOFFNACF-ZBFHGGJFSA-N	0	3	379.420	2.850	50	5		GFBAHN
COC(=O)[C@@H]1CCCCC[C@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222310691	570723741	/nfs/dbraw/zinc/72/37/41/570723741.db2.gz	DGKMRTDYFOAZPY-NWANDNLSSA-N	0	3	393.440	2.642	50	5		GFBAHN
CCc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N(C)C)cc1	ZINC000015129043	570758643	/nfs/dbraw/zinc/75/86/43/570758643.db2.gz	XLZNXTKCAIBSLC-KRWDZBQOSA-N	0	3	392.481	2.519	50	5		GFBAHN
NC(=O)[C@H]1CCCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1	ZINC000058306552	206100609	/nfs/dbraw/zinc/10/06/09/206100609.db2.gz	SEQUKXIJEDBIDU-INIZCTEOSA-N	0	3	382.420	2.544	50	5		GFBAHN
Cc1nn(Cc2ccc(C(=O)NC[C@H](C)N3CCCC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000032824247	570838473	/nfs/dbraw/zinc/83/84/73/570838473.db2.gz	NNQXDCFPTVNBQQ-AWEZNQCLSA-N	0	3	385.468	2.671	50	5		GFBAHN
Cc1nn(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@@H]32)c(C)c1[N+](=O)[O-]	ZINC000008745143	204286923	/nfs/dbraw/zinc/28/69/23/204286923.db2.gz	LDHBZIZMTGJWTP-AEFFLSMTSA-N	0	3	383.452	2.551	50	5		GFBAHN
CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@@H](C)C2)cc1OC	ZINC000229712760	206107640	/nfs/dbraw/zinc/10/76/40/206107640.db2.gz	RUXHUIFMSBJKNY-ZIAGYGMSSA-N	0	3	379.457	2.852	50	5		GFBAHN
Cc1nn(Cc2ccc(C(=O)NC[C@@H](C)N3CCCC3)cc2)c(C)c1[N+](=O)[O-]	ZINC000032824250	570838477	/nfs/dbraw/zinc/83/84/77/570838477.db2.gz	NNQXDCFPTVNBQQ-CQSZACIVSA-N	0	3	385.468	2.671	50	5		GFBAHN
CCN1CCN(Cc2ccc(CNC(=O)c3cccc(C)c3[N+](=O)[O-])cc2)CC1	ZINC000047255278	570950976	/nfs/dbraw/zinc/95/09/76/570950976.db2.gz	VIUAZOVXBQFXCY-UHFFFAOYSA-N	0	3	396.491	2.971	50	5		GFBAHN
CCOc1cc([N+](=O)[O-])c(C(=O)NC[C@@H](C)N2CCC[C@H](C)C2)cc1OC	ZINC000046954355	205107451	/nfs/dbraw/zinc/10/74/51/205107451.db2.gz	RUXHUIFMSBJKNY-UONOGXRCSA-N	0	3	379.457	2.852	50	5		GFBAHN
CCOc1cc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc(Br)c1OCC	ZINC000001074862	551091710	/nfs/dbraw/zinc/09/17/10/551091710.db2.gz	ZICZTLFBKFRORI-FZMZJTMJSA-N	0	3	387.230	2.843	50	5		GFBAHN
CCOC(=O)c1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1	ZINC000016599250	570452789	/nfs/dbraw/zinc/45/27/89/570452789.db2.gz	CMOVPQULPNTDQD-GOSISDBHSA-N	0	3	385.420	2.804	50	5		GFBAHN
O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)NCc2cc(Br)cs2)cc1	ZINC000078814506	655005286	/nfs/dbraw/zinc/00/52/86/655005286.db2.gz	BGICBQWNRWUUER-UONOGXRCSA-N	0	3	387.255	2.603	50	5		GFBAHN
COC(=O)[C@@H]1CCCCC[C@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000108395503	570988284	/nfs/dbraw/zinc/98/82/84/570988284.db2.gz	DGKMRTDYFOAZPY-BPLDGKMQSA-N	0	3	393.440	2.642	50	5		GFBAHN
Cc1nn(CC(=O)N2c3ccc(C)cc3[C@H]3CN(C)CC[C@H]32)c(C)c1[N+](=O)[O-]	ZINC000248024852	570435933	/nfs/dbraw/zinc/43/59/33/570435933.db2.gz	LDHBZIZMTGJWTP-SJLPKXTDSA-N	0	3	383.452	2.551	50	5		GFBAHN
CCc1cc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349643	136177817	/nfs/dbraw/zinc/17/78/17/136177817.db2.gz	INNQJMLQHCBBMS-RTBURBONSA-N	0	3	397.479	2.650	50	5		GFBAHN
CN(C(=O)CN1CCC[C@H](NCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000083869426	570974723	/nfs/dbraw/zinc/97/47/23/570974723.db2.gz	QIGYTGZOKAQCKN-SFHVURJKSA-N	0	3	382.464	2.812	50	5		GFBAHN
Cn1cc(C=Cc2nc3c(c(=O)[n-]2)C[N@H+](C)CC3)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000328597683	206231394	/nfs/dbraw/zinc/23/13/94/206231394.db2.gz	IQLNSHFHIFVLML-VMPITWQZSA-N	0	3	392.419	2.649	50	5		GFBAHN
Cn1cc(C=Cc2nc3c(c(=O)[n-]2)C[N@@H+](C)CC3)c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000328597683	206231398	/nfs/dbraw/zinc/23/13/98/206231398.db2.gz	IQLNSHFHIFVLML-VMPITWQZSA-N	0	3	392.419	2.649	50	5		GFBAHN
CCN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)CC1	ZINC000004998618	570391327	/nfs/dbraw/zinc/39/13/27/570391327.db2.gz	KAALVHHDRHLPQP-UHFFFAOYSA-N	0	3	384.436	2.754	50	5		GFBAHN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2[C@H](C)CC[C@@H]2C)C1	ZINC000247938649	570431033	/nfs/dbraw/zinc/43/10/33/570431033.db2.gz	WBKPWTDSOJYJKG-LZWOXQAQSA-N	0	3	397.497	2.629	50	5		GFBAHN
Cc1c(C(=O)NCc2ccccc2CN2CCC(O)CC2)cccc1[N+](=O)[O-]	ZINC000072306652	570522992	/nfs/dbraw/zinc/52/29/92/570522992.db2.gz	OBLCWXUWLYOYHA-UHFFFAOYSA-N	0	3	383.448	2.790	50	5		GFBAHN
CN(C)[C@H]1CCc2ccccc2[C@@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000095398040	211239099	/nfs/dbraw/zinc/23/90/99/211239099.db2.gz	FEEUVWNWFXBOMZ-RDJZCZTQSA-N	0	3	379.420	2.632	50	5		GFBAHN
O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000034873357	570804897	/nfs/dbraw/zinc/80/48/97/570804897.db2.gz	NNNGVSOFHUVBDI-LPHOPBHVSA-N	0	3	399.447	2.685	50	5		GFBAHN
O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000004688190	570834481	/nfs/dbraw/zinc/83/44/81/570834481.db2.gz	TWHMXCYMZLZCFZ-UHFFFAOYSA-N	0	3	384.480	2.703	50	5		GFBAHN
CN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@@H](c2ccccc2)C1	ZINC000030000039	209193615	/nfs/dbraw/zinc/19/36/15/209193615.db2.gz	NHZTVMUXIYJXBI-HXUWFJFHSA-N	0	3	382.464	2.703	50	5		GFBAHN
O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)NCc2cc(Br)cs2)cc1	ZINC000078814498	570509508	/nfs/dbraw/zinc/50/95/08/570509508.db2.gz	BGICBQWNRWUUER-ZIAGYGMSSA-N	0	3	387.255	2.603	50	5		GFBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CN(C)C)[C@@H](O)c1ccccc1	ZINC000043148763	570953150	/nfs/dbraw/zinc/95/31/50/570953150.db2.gz	YWFXFONXDPNJSD-APWZRJJASA-N	0	3	386.452	2.936	50	5		GFBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@H](CN(C)C)[C@H](O)c1ccccc1	ZINC000043148759	570953185	/nfs/dbraw/zinc/95/31/85/570953185.db2.gz	YWFXFONXDPNJSD-VQIMIIECSA-N	0	3	386.452	2.936	50	5		GFBAHN
C[C@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C1CCN(C)CC1	ZINC000095982966	211291625	/nfs/dbraw/zinc/29/16/25/211291625.db2.gz	BHKHMZYIQOZOCR-ZDUSSCGKSA-N	0	3	395.891	2.880	50	5		GFBAHN
Cc1noc2nc(-c3cccc([N+](=O)[O-])c3)cc(C(=O)NC3CCN(C)CC3)c12	ZINC000036618431	570759393	/nfs/dbraw/zinc/75/93/93/570759393.db2.gz	YJGUKPRHJLJAIA-UHFFFAOYSA-N	0	3	395.419	2.930	50	5		GFBAHN
CCN(CC)S(=O)(=O)c1ccc(NCCN2CCCC[C@H]2C)c([N+](=O)[O-])c1	ZINC000032935514	570947915	/nfs/dbraw/zinc/94/79/15/570947915.db2.gz	GXFSLFRDXLLJJH-OAHLLOKOSA-N	0	3	398.529	2.912	50	5		GFBAHN
CN(C)[C@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1	ZINC000079001561	222300472	/nfs/dbraw/zinc/30/04/72/222300472.db2.gz	NQNCMSBPCAWBSB-HNNXBMFYSA-N	0	3	390.412	2.755	50	5		GFBAHN
CC1CCN(CCCNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1	ZINC000007728746	551101377	/nfs/dbraw/zinc/10/13/77/551101377.db2.gz	HOPPRSASSFTMTG-UHFFFAOYSA-N	0	3	375.878	2.649	50	5		GFBAHN
CCN1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000004688555	570834546	/nfs/dbraw/zinc/83/45/46/570834546.db2.gz	KKRYHYWWKIWRDP-UHFFFAOYSA-N	0	3	384.436	2.754	50	5		GFBAHN
O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(C2CCCCC2)CC1	ZINC000004804048	570995640	/nfs/dbraw/zinc/99/56/40/570995640.db2.gz	LMKWSCZNBDTNAU-UHFFFAOYSA-N	0	3	385.420	2.792	50	5		GFBAHN
CN(C(=O)CN1CCCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1	ZINC000012771176	221229590	/nfs/dbraw/zinc/22/95/90/221229590.db2.gz	KTIKAWASBLYUCL-UHFFFAOYSA-N	0	3	382.464	2.766	50	5		GFBAHN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@@H](N2[C@H](C)CC[C@@H]2C)C1	ZINC000048314115	570236913	/nfs/dbraw/zinc/23/69/13/570236913.db2.gz	WBKPWTDSOJYJKG-IJEWVQPXSA-N	0	3	397.497	2.629	50	5		GFBAHN
CCc1cc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349641	136177809	/nfs/dbraw/zinc/17/78/09/136177809.db2.gz	INNQJMLQHCBBMS-MOPGFXCFSA-N	0	3	397.479	2.650	50	5		GFBAHN
O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000104806653	570906030	/nfs/dbraw/zinc/90/60/30/570906030.db2.gz	NNNGVSOFHUVBDI-QFBILLFUSA-N	0	3	399.447	2.685	50	5		GFBAHN
CCc1cc(N2CCN([C@H]3CCC[C@@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349642	136177878	/nfs/dbraw/zinc/17/78/78/136177878.db2.gz	INNQJMLQHCBBMS-OALUTQOASA-N	0	3	397.479	2.650	50	5		GFBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CN(C)C)[C@H](O)c1ccccc1	ZINC000043148757	570953226	/nfs/dbraw/zinc/95/32/26/570953226.db2.gz	YWFXFONXDPNJSD-QFBILLFUSA-N	0	3	386.452	2.936	50	5		GFBAHN
CN(C(=O)CN1CCC[C@@H](NCc2ccccc2)C1)c1ccc([N+](=O)[O-])cc1	ZINC000083869427	570974746	/nfs/dbraw/zinc/97/47/46/570974746.db2.gz	QIGYTGZOKAQCKN-GOSISDBHSA-N	0	3	382.464	2.812	50	5		GFBAHN
O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000012928836	221248176	/nfs/dbraw/zinc/24/81/76/221248176.db2.gz	GRCAIXYBQXNJCX-UHFFFAOYSA-N	0	3	386.427	2.880	50	5		GFBAHN
C[C@@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000023994634	221606101	/nfs/dbraw/zinc/60/61/01/221606101.db2.gz	PCQVNPOQMLPYJZ-MRXNPFEDSA-N	0	3	390.484	2.547	50	5		GFBAHN
C[C@@H]1CN(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CCN1C1CCN(C)CC1	ZINC000095982965	222367335	/nfs/dbraw/zinc/36/73/35/222367335.db2.gz	BHKHMZYIQOZOCR-CYBMUJFWSA-N	0	3	395.891	2.880	50	5		GFBAHN
COC(=O)[C@@H]1CCCCC[C@@H]1N[C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000108395499	570988309	/nfs/dbraw/zinc/98/83/09/570988309.db2.gz	DGKMRTDYFOAZPY-YUELXQCFSA-N	0	3	393.440	2.642	50	5		GFBAHN
CCOc1cc([C@@H]2NC(=O)CCC2[N+](=O)[O-])cc(Br)c1OCC	ZINC000001074865	212213489	/nfs/dbraw/zinc/21/34/89/212213489.db2.gz	ZICZTLFBKFRORI-RISCZKNCSA-N	0	3	387.230	2.843	50	5		GFBAHN
Cc1c(Cl)cc(S(=O)(=O)N2CCC(N3CCCC3)CC2)cc1[N+](=O)[O-]	ZINC000048311626	570233503	/nfs/dbraw/zinc/23/35/03/570233503.db2.gz	LDBRRQUAHIQVFQ-UHFFFAOYSA-N	0	3	387.889	2.806	50	5		GFBAHN
CN1CCN(CCCNC(=O)c2cccc([N+](=O)[O-])c2)[C@H](c2ccccc2)C1	ZINC000036389764	570671183	/nfs/dbraw/zinc/67/11/83/570671183.db2.gz	NHZTVMUXIYJXBI-FQEVSTJZSA-N	0	3	382.464	2.703	50	5		GFBAHN
O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CCN2CCC[C@@H]2C1	ZINC000017081717	221380044	/nfs/dbraw/zinc/38/00/44/221380044.db2.gz	LMNQGTIZZKCHRA-JRQWYPPZSA-N	0	3	399.495	2.637	50	5		GFBAHN
CCN1CCC[C@@H]1CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000015164231	570786626	/nfs/dbraw/zinc/78/66/26/570786626.db2.gz	KODCWVGKGBTVGM-CYBMUJFWSA-N	0	3	384.502	2.568	50	5		GFBAHN
O=C(c1nn(C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-])N1CCN2CCC[C@H]2C1	ZINC000017081718	221379970	/nfs/dbraw/zinc/37/99/70/221379970.db2.gz	LMNQGTIZZKCHRA-HQHQJUQOSA-N	0	3	399.495	2.637	50	5		GFBAHN
CCN(CC)CCn1c2ccccc2[nH]c1=NC(=O)Cc1ccc([N+](=O)[O-])cc1	ZINC000060392199	222059360	/nfs/dbraw/zinc/05/93/60/222059360.db2.gz	IQBCWFGAPLMUSG-UHFFFAOYSA-N	0	3	395.463	2.889	50	5		GFBAHN
CN(C)[C@H]1CCc2ccccc2[C@H]1Nc1nc2ccccn2c(=O)c1[N+](=O)[O-]	ZINC000095398042	205456119	/nfs/dbraw/zinc/45/61/19/205456119.db2.gz	FEEUVWNWFXBOMZ-DOTOQJQBSA-N	0	3	379.420	2.632	50	5		GFBAHN
CN(C)[C@@]1(CNC(=O)Nc2cc([N+](=O)[O-])ccc2OC(F)F)CCSC1	ZINC000079001566	205377667	/nfs/dbraw/zinc/37/76/67/205377667.db2.gz	NQNCMSBPCAWBSB-OAHLLOKOSA-N	0	3	390.412	2.755	50	5		GFBAHN
CCOc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc(Br)c1OCC	ZINC000001074863	551091815	/nfs/dbraw/zinc/09/18/15/551091815.db2.gz	ZICZTLFBKFRORI-SMDDNHRTSA-N	0	3	387.230	2.843	50	5		GFBAHN
CCN(CC)[C@@H](CNC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1cccc(OC)c1	ZINC000008707095	204284266	/nfs/dbraw/zinc/28/42/66/204284266.db2.gz	MUEOLMKHKRQGDB-IBGZPJMESA-N	0	3	386.452	2.999	50	5		GFBAHN
Cc1ccc([N+](=O)[O-])cc1NC(=O)NC[C@@H](CN(C)C)[C@@H](O)c1ccccc1	ZINC000043148761	205082495	/nfs/dbraw/zinc/08/24/95/205082495.db2.gz	YWFXFONXDPNJSD-LPHOPBHVSA-N	0	3	386.452	2.936	50	5		GFBAHN
NC(=O)[C@@H]1CCCN(Cc2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)C1	ZINC000058306554	206100799	/nfs/dbraw/zinc/10/07/99/206100799.db2.gz	SEQUKXIJEDBIDU-MRXNPFEDSA-N	0	3	382.420	2.544	50	5		GFBAHN
O=C(c1ccccc1[N+](=O)[O-])N1CCC[C@H](c2n[nH]cc2CN2CCCC2)C1	ZINC000253419211	206147933	/nfs/dbraw/zinc/14/79/33/206147933.db2.gz	AYCXXBRRLNQTDU-HNNXBMFYSA-N	0	3	383.452	2.934	50	5		GFBAHN
CCCN1CCC(N(C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1	ZINC000048310192	570232703	/nfs/dbraw/zinc/23/27/03/570232703.db2.gz	RTEHLUBMBUNIPU-UHFFFAOYSA-N	0	3	375.878	2.743	50	5		GFBAHN
C[C@H](NCC1(N2CCOCC2)CCCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000023994636	570341791	/nfs/dbraw/zinc/34/17/91/570341791.db2.gz	PCQVNPOQMLPYJZ-INIZCTEOSA-N	0	3	390.484	2.547	50	5		GFBAHN
CCc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(N)(=O)=O)N(C)C)cc1	ZINC000015129042	205898839	/nfs/dbraw/zinc/89/88/39/205898839.db2.gz	XLZNXTKCAIBSLC-QGZVFWFLSA-N	0	3	392.481	2.519	50	5		GFBAHN
CCN(CC)S(=O)(=O)c1ccc(NCCN2CCCC[C@@H]2C)c([N+](=O)[O-])c1	ZINC000032935513	206096843	/nfs/dbraw/zinc/09/68/43/206096843.db2.gz	GXFSLFRDXLLJJH-HNNXBMFYSA-N	0	3	398.529	2.912	50	5		GFBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)NCc2cc(Br)cs2)cc1	ZINC000078814491	570509600	/nfs/dbraw/zinc/50/96/00/570509600.db2.gz	BGICBQWNRWUUER-KGLIPLIRSA-N	0	3	387.255	2.603	50	5		GFBAHN
C[C@@H](c1ccccc1)N1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000064915954	570589970	/nfs/dbraw/zinc/58/99/70/570589970.db2.gz	ORGNRXAOFFNACF-GOEBONIOSA-N	0	3	379.420	2.850	50	5		GFBAHN
COC(=O)[C@@H]1CCCCC[C@@H]1N[C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1OC	ZINC000222310625	570723763	/nfs/dbraw/zinc/72/37/63/570723763.db2.gz	DGKMRTDYFOAZPY-CFVMTHIKSA-N	0	3	393.440	2.642	50	5		GFBAHN
Cc1nn(CC(=O)N2c3ccc(C)cc3[C@@H]3CN(C)CC[C@H]32)c(C)c1[N+](=O)[O-]	ZINC000012689308	570949254	/nfs/dbraw/zinc/94/92/54/570949254.db2.gz	LDHBZIZMTGJWTP-FUHWJXTLSA-N	0	3	383.452	2.551	50	5		GFBAHN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@H](NCCc2c[nH]c3ccccc23)C1=O	ZINC000020101028	207178051	/nfs/dbraw/zinc/17/80/51/207178051.db2.gz	LFISGFFVCYMKIS-SFHVURJKSA-N	0	3	392.415	2.849	50	5		GFBAHN
Cn1ccnc1C(=O)c1ccc(NCCCNc2ccncc2)c([N+](=O)[O-])c1	ZINC000072310938	570537274	/nfs/dbraw/zinc/53/72/74/570537274.db2.gz	JBZSJOHKGWEVMX-UHFFFAOYSA-N	0	3	380.408	2.868	50	5		GFBAHN
CC(=O)Nc1ccc(NC(=O)CNCCCNc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005631922	570676922	/nfs/dbraw/zinc/67/69/22/570676922.db2.gz	DIGBNYMYPFSREU-UHFFFAOYSA-N	0	3	385.424	2.584	50	5		GFBAHN
CCN1CCN(Cc2ccc(CNC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1	ZINC000047284896	570951196	/nfs/dbraw/zinc/95/11/96/570951196.db2.gz	SMVKYDNPYCTXQZ-UHFFFAOYSA-N	0	3	382.464	2.662	50	5		GFBAHN
CN1CC=C(CCNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1	ZINC000089374932	208104337	/nfs/dbraw/zinc/10/43/37/208104337.db2.gz	VOEYGDBXJUDGMR-UHFFFAOYSA-N	0	3	375.472	2.923	50	5		GFBAHN
COc1ccc(CCNc2cc(N3CCNCC3)ccc2[N+](=O)[O-])cc1OC	ZINC000004344179	570675795	/nfs/dbraw/zinc/67/57/95/570675795.db2.gz	FNPQQLNNZBRUCA-UHFFFAOYSA-N	0	3	386.452	2.676	50	5		GFBAHN
CCN1CCN(Cc2ccccc2CNC(=O)Cc2ccccc2[N+](=O)[O-])CC1	ZINC000040089833	207338167	/nfs/dbraw/zinc/33/81/67/207338167.db2.gz	RHIUEMVYINJURK-UHFFFAOYSA-N	0	3	396.491	2.591	50	5		GFBAHN
C[C@@H](c1ccccc1)N1CC[C@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000053580461	570326443	/nfs/dbraw/zinc/32/64/43/570326443.db2.gz	ORGNRXAOFFNACF-HOCLYGCPSA-N	0	3	379.420	2.850	50	5		GFBAHN
CCOc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc(Br)c1OCC	ZINC000001074866	209296473	/nfs/dbraw/zinc/29/64/73/209296473.db2.gz	ZICZTLFBKFRORI-BXUZGUMPSA-N	0	3	387.230	2.843	50	5		GFBAHN
COc1ccc([C@H]2CN(C)CC[C@@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000248125731	570441804	/nfs/dbraw/zinc/44/18/04/570441804.db2.gz	LRRXLTRGKYNAEH-MSOLQXFVSA-N	0	3	399.447	2.830	50	5		GFBAHN
CCN1CCC[C@H]1CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-]	ZINC000015164233	570786444	/nfs/dbraw/zinc/78/64/44/570786444.db2.gz	KODCWVGKGBTVGM-ZDUSSCGKSA-N	0	3	384.502	2.568	50	5		GFBAHN
C[C@H](c1ccccc1)N1CC[C@@H](Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000229766817	209190983	/nfs/dbraw/zinc/19/09/83/209190983.db2.gz	ORGNRXAOFFNACF-GDBMZVCRSA-N	0	3	379.420	2.850	50	5		GFBAHN
CCc1cc(N2CCN([C@H]3CCC[C@H]3O)CC2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000095349644	136177833	/nfs/dbraw/zinc/17/78/33/136177833.db2.gz	INNQJMLQHCBBMS-RBUKOAKNSA-N	0	3	397.479	2.650	50	5		GFBAHN
O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)NCc2cc(Br)cs2)cc1	ZINC000078814501	655005264	/nfs/dbraw/zinc/00/52/64/655005264.db2.gz	BGICBQWNRWUUER-KBPBESRZSA-N	0	3	387.255	2.603	50	5		GFBAHN
CC1(C)CC([N-]S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC(C)(C)[NH2+]1	ZINC000007616227	551100945	/nfs/dbraw/zinc/10/09/45/551100945.db2.gz	YOIVXYLJQJKSPP-UHFFFAOYSA-N	0	3	375.878	2.836	50	5		GFBAHN
O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000024242813	570482419	/nfs/dbraw/zinc/48/24/19/570482419.db2.gz	NNNGVSOFHUVBDI-VQIMIIECSA-N	0	3	399.447	2.685	50	5		GFBAHN
O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC(N2CC=CC2)CC1	ZINC000101448732	570823523	/nfs/dbraw/zinc/82/35/23/570823523.db2.gz	QRDPRVGIPGAGIW-UHFFFAOYSA-N	0	3	384.480	2.674	50	5		GFBAHN
COc1ccc([C@H]2CN(C)CC[C@H]2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC	ZINC000199271943	570968107	/nfs/dbraw/zinc/96/81/07/570968107.db2.gz	LRRXLTRGKYNAEH-QZTJIDSGSA-N	0	3	399.447	2.830	50	5		GFBAHN
O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1	ZINC000024242817	570482226	/nfs/dbraw/zinc/48/22/26/570482226.db2.gz	NNNGVSOFHUVBDI-APWZRJJASA-N	0	3	399.447	2.685	50	5		GFBAHN
COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](N2[C@@H](C)CC[C@@H]2C)C1	ZINC000106143784	570948844	/nfs/dbraw/zinc/94/88/44/570948844.db2.gz	WBKPWTDSOJYJKG-DZKIICNBSA-N	0	3	397.497	2.629	50	5		GFBAHN
Cc1nn(CC(=O)NCc2ccccc2CN2CCCCC2)c(C)c1[N+](=O)[O-]	ZINC000008719693	221051881	/nfs/dbraw/zinc/05/18/81/221051881.db2.gz	XWEYFZJQQOQQEG-UHFFFAOYSA-N	0	3	385.468	2.710	50	5		GFBAHN
O=C(NC1C2CC3CC(C2)CC1C3)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000004688188	570834523	/nfs/dbraw/zinc/83/45/23/570834523.db2.gz	NQMBOBRINGXSGP-UHFFFAOYSA-N	0	3	384.480	2.559	50	5		GFBAHN
CCOC(=O)c1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc([N+](=O)[O-])c1	ZINC000016599251	221366275	/nfs/dbraw/zinc/36/62/75/221366275.db2.gz	CMOVPQULPNTDQD-SFHVURJKSA-N	0	3	385.420	2.804	50	5		GFBAHN
Cc1ccc([N+](=O)[O-])cc1N1C(=O)C[C@@H](NCCc2c[nH]c3ccccc23)C1=O	ZINC000008215731	221031304	/nfs/dbraw/zinc/03/13/04/221031304.db2.gz	LFISGFFVCYMKIS-GOSISDBHSA-N	0	3	392.415	2.849	50	5		GFBAHN