smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000057451361	205240395	/nfs/dbraw/zinc/24/03/95/205240395.db2.gz	CJTPQHPCSHTCRL-CQSZACIVSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000057451361	205240400	/nfs/dbraw/zinc/24/04/00/205240400.db2.gz	CJTPQHPCSHTCRL-CQSZACIVSA-N	1	2	371.393	2.614	50	5		FFBALO
C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000023057680	206398463	/nfs/dbraw/zinc/39/84/63/206398463.db2.gz	OUVUVGOOYBYVAA-DLBZAZTESA-N	1	2	374.485	2.674	50	5		FFBALO
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000023057680	206398468	/nfs/dbraw/zinc/39/84/68/206398468.db2.gz	OUVUVGOOYBYVAA-DLBZAZTESA-N	1	2	374.485	2.674	50	5		FFBALO
CSc1ccc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc1[N+](=O)[O-]	ZINC000009690562	506708953	/nfs/dbraw/zinc/70/89/53/506708953.db2.gz	UZHOIAGRCNYPIR-UHFFFAOYSA-N	1	2	358.423	2.674	50	5		FFBALO
COC(=O)c1ccc(C[N@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	ZINC000013016445	506925686	/nfs/dbraw/zinc/92/56/86/506925686.db2.gz	NNFBWVNOHVVIJO-UHFFFAOYSA-N	1	2	372.377	2.880	50	5		FFBALO
COC(=O)c1ccc(C[N@@H+](C)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1	ZINC000013016445	506925690	/nfs/dbraw/zinc/92/56/90/506925690.db2.gz	NNFBWVNOHVVIJO-UHFFFAOYSA-N	1	2	372.377	2.880	50	5		FFBALO
COc1ccc(C(=O)c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)cc1	ZINC000004575472	506383950	/nfs/dbraw/zinc/38/39/50/506383950.db2.gz	PJGNIKBBAUNHNX-UHFFFAOYSA-N	1	2	355.394	2.586	50	5		FFBALO
COc1cc([N+](=O)[O-])ccc1NC(=S)N1CCN(c2cccc[nH+]2)CC1	ZINC000004999213	506412057	/nfs/dbraw/zinc/41/20/57/506412057.db2.gz	GIFJBZSENHYFJU-UHFFFAOYSA-N	1	2	373.438	2.517	50	5		FFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000014401348	506991077	/nfs/dbraw/zinc/99/10/77/506991077.db2.gz	WKMMALFAOUUPON-MRXNPFEDSA-N	1	2	369.356	2.569	50	5		FFBALO
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@@H]1c1[nH]cc[nH+]1	ZINC000079092252	507932434	/nfs/dbraw/zinc/93/24/34/507932434.db2.gz	PRNHJEANDYWOCD-CYBMUJFWSA-N	1	2	350.400	2.542	50	5		FFBALO
CNC(=O)NC(=O)CSc1nc2ccccc2c2[nH+]c3ccccc3n21	ZINC000003518036	204104889	/nfs/dbraw/zinc/10/48/89/204104889.db2.gz	XIOHJDHUWIJBAD-UHFFFAOYSA-N	1	2	365.418	2.583	50	5		FFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F	ZINC000009364369	204364777	/nfs/dbraw/zinc/36/47/77/204364777.db2.gz	FQDLXRATLNOAHO-MRXNPFEDSA-N	1	2	354.341	2.987	50	5		FFBALO
C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1	ZINC000023057679	206398586	/nfs/dbraw/zinc/39/85/86/206398586.db2.gz	OUVUVGOOYBYVAA-IAGOWNOFSA-N	1	2	374.485	2.674	50	5		FFBALO
C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC000023057679	206398587	/nfs/dbraw/zinc/39/85/87/206398587.db2.gz	OUVUVGOOYBYVAA-IAGOWNOFSA-N	1	2	374.485	2.674	50	5		FFBALO
COc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019555337	507178962	/nfs/dbraw/zinc/17/89/62/507178962.db2.gz	JPQIOJOHCXMWRX-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
O=[N+]([O-])c1ccc(N2CCN(Cc3cn4ccccc4[nH+]3)CC2)c(F)c1	ZINC000042097044	136121129	/nfs/dbraw/zinc/12/11/29/136121129.db2.gz	DOUUAKWSCIYLRQ-UHFFFAOYSA-N	1	2	355.373	2.704	50	5		FFBALO
O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC[C@H]3CCO)[nH+]c2)nc1	ZINC000047253888	136122704	/nfs/dbraw/zinc/12/27/04/136122704.db2.gz	NGXBHQPOLJKHQT-HNNXBMFYSA-N	1	2	357.414	2.738	50	5		FFBALO
COc1cc(C[NH+]2CCN(c3ccc(C)cc3)CC2)cc([N+](=O)[O-])c1O	ZINC000004980247	506411601	/nfs/dbraw/zinc/41/16/01/506411601.db2.gz	IXDVAXNWWNGSIG-UHFFFAOYSA-N	1	2	357.410	2.940	50	5		FFBALO
c1nnc2c3c4c(sc3n3cnnc3n12)C[N@H+](Cc1ccccc1)CC4	ZINC000020057841	507209358	/nfs/dbraw/zinc/20/93/58/507209358.db2.gz	RWQFTXICLZFGHM-UHFFFAOYSA-N	1	2	361.434	2.545	50	5		FFBALO
c1nnc2c3c4c(sc3n3cnnc3n12)C[N@@H+](Cc1ccccc1)CC4	ZINC000020057841	507209365	/nfs/dbraw/zinc/20/93/65/507209365.db2.gz	RWQFTXICLZFGHM-UHFFFAOYSA-N	1	2	361.434	2.545	50	5		FFBALO
COc1cc2c(cc1OC)C[N@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2	ZINC000027490904	507660348	/nfs/dbraw/zinc/66/03/48/507660348.db2.gz	AWAWVMICBJONIH-UHFFFAOYSA-N	1	2	368.393	2.978	50	5		FFBALO
COc1cc2c(cc1OC)C[N@@H+](Cn1ncc3cc([N+](=O)[O-])ccc31)CC2	ZINC000027490904	507660356	/nfs/dbraw/zinc/66/03/56/507660356.db2.gz	AWAWVMICBJONIH-UHFFFAOYSA-N	1	2	368.393	2.978	50	5		FFBALO
O=C(COc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2cc[nH+]c2)c1	ZINC000030584817	507811025	/nfs/dbraw/zinc/81/10/25/507811025.db2.gz	NUSQCFXOPZQPAX-UHFFFAOYSA-N	1	2	366.377	2.535	50	5		FFBALO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1cnc(C)s1	ZINC000047259174	570884380	/nfs/dbraw/zinc/88/43/80/570884380.db2.gz	IGQDFODUNWDQHQ-JTQLQIEISA-N	1	2	364.427	2.827	50	5		FFBALO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1cnc(C)s1	ZINC000047259174	570884382	/nfs/dbraw/zinc/88/43/82/570884382.db2.gz	IGQDFODUNWDQHQ-JTQLQIEISA-N	1	2	364.427	2.827	50	5		FFBALO
COc1ccc([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)cc1	ZINC000008720046	204341125	/nfs/dbraw/zinc/34/11/25/204341125.db2.gz	JPHBXEHAFAEELC-QGZVFWFLSA-N	1	2	366.377	2.856	50	5		FFBALO
O=C(Nc1cccc(Cn2cc[nH+]c2)c1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000025180181	507472221	/nfs/dbraw/zinc/47/22/21/507472221.db2.gz	DPVSCAOETLBVQR-UHFFFAOYSA-N	1	2	362.349	2.968	50	5		FFBALO
CN(C)C1=[NH+][C@@H]2Nc3ccccc3N(C)[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000239174411	524037888	/nfs/dbraw/zinc/03/78/88/524037888.db2.gz	PZFWIEROOQOKSF-SQNIBIBYSA-N	1	2	351.410	2.909	50	5		FFBALO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1	ZINC000006594381	204256156	/nfs/dbraw/zinc/25/61/56/204256156.db2.gz	SVVGNZYPGCJDLE-OAHLLOKOSA-N	1	2	374.422	2.594	50	5		FFBALO
CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1	ZINC000006594381	204256160	/nfs/dbraw/zinc/25/61/60/204256160.db2.gz	SVVGNZYPGCJDLE-OAHLLOKOSA-N	1	2	374.422	2.594	50	5		FFBALO
COc1cccc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1	ZINC000008719932	204341419	/nfs/dbraw/zinc/34/14/19/204341419.db2.gz	UMQOUODXEOYPFC-QGZVFWFLSA-N	1	2	366.377	2.856	50	5		FFBALO
O=[N+]([O-])c1ccc(Nc2nc(N3CCCC3)[nH+]c(N3CCCC3)n2)cc1	ZINC000004575169	206180042	/nfs/dbraw/zinc/18/00/42/206180042.db2.gz	OMEYOIQYCMDZKN-UHFFFAOYSA-N	1	2	355.402	2.724	50	5		FFBALO
COc1ccc(C(=O)c2cc([N+](=O)[O-])ccc2N2CC[NH+](C)CC2)cc1	ZINC000003932163	132386083	/nfs/dbraw/zinc/38/60/83/132386083.db2.gz	OZISUZNBRPBLJW-UHFFFAOYSA-N	1	2	355.394	2.586	50	5		FFBALO
Cc1c(NC(=O)C[NH+]2CCN(c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-]	ZINC000054530491	136125661	/nfs/dbraw/zinc/12/56/61/136125661.db2.gz	NVQNQXSDBIPZEG-UHFFFAOYSA-N	1	2	372.400	2.803	50	5		FFBALO
O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3ccc(F)cc3)CC1)OCO2	ZINC000055543218	136126966	/nfs/dbraw/zinc/12/69/66/136126966.db2.gz	MWRNAKIGGNBHDE-UHFFFAOYSA-N	1	2	359.357	2.785	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000014401345	506990619	/nfs/dbraw/zinc/99/06/19/506990619.db2.gz	WKMMALFAOUUPON-INIZCTEOSA-N	1	2	369.356	2.569	50	5		FFBALO
COc1cc(CN2CC[NH+](Cc3ccco3)CC2)c([N+](=O)[O-])cc1OC	ZINC000000865145	506237303	/nfs/dbraw/zinc/23/73/03/506237303.db2.gz	ZLJVLZFHCHLOKD-UHFFFAOYSA-N	1	2	361.398	2.523	50	5		FFBALO
O=C(NCCCn1cc[nH+]c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1	ZINC000004864416	506400325	/nfs/dbraw/zinc/40/03/25/506400325.db2.gz	LMDMQMDFNDHXEV-UHFFFAOYSA-N	1	2	357.414	2.602	50	5		FFBALO
Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012795749	506903570	/nfs/dbraw/zinc/90/35/70/506903570.db2.gz	KHRGZXBEYNEPQK-LJQANCHMSA-N	1	2	369.421	2.707	50	5		FFBALO
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000017743619	507128000	/nfs/dbraw/zinc/12/80/00/507128000.db2.gz	VCDWSEMBMCQXCZ-GOSISDBHSA-N	1	2	370.409	2.790	50	5		FFBALO
O=[N+]([O-])c1c(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)nc2ccccn21	ZINC000029525992	507781929	/nfs/dbraw/zinc/78/19/29/507781929.db2.gz	MWVQZDVKVIMQHC-INIZCTEOSA-N	1	2	367.409	2.728	50	5		FFBALO
Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C\c2ccccc2[N+](=O)[O-])CC1	ZINC000047254155	570883750	/nfs/dbraw/zinc/88/37/50/570883750.db2.gz	MFPDSDGXZDZHKU-FPLPWBNLSA-N	1	2	370.409	2.557	50	5		FFBALO
Cn1cc[nH+]c1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1	ZINC000009367241	204365792	/nfs/dbraw/zinc/36/57/92/204365792.db2.gz	NFOLPKLEDLMHRR-MRXNPFEDSA-N	1	2	369.356	2.768	50	5		FFBALO
O=[N+]([O-])c1cc2c(cc1C[NH+]1CCN(c3ccccc3F)CC1)OCO2	ZINC000055543862	136126997	/nfs/dbraw/zinc/12/69/97/136126997.db2.gz	NWLSYTXOZRHQNV-UHFFFAOYSA-N	1	2	359.357	2.785	50	5		FFBALO
COc1ccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC	ZINC000000865234	506237389	/nfs/dbraw/zinc/23/73/89/506237389.db2.gz	SEOAUWSQSIANOK-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC	ZINC000000865234	506237395	/nfs/dbraw/zinc/23/73/95/506237395.db2.gz	SEOAUWSQSIANOK-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1[N+](=O)[O-]	ZINC000019683079	507189496	/nfs/dbraw/zinc/18/94/96/507189496.db2.gz	LXCCQIBSZWZFQJ-UHFFFAOYSA-N	1	2	371.393	2.688	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@@H]3C2)c1	ZINC000170664050	509707600	/nfs/dbraw/zinc/70/76/00/509707600.db2.gz	AKLMTCGIMJQNNS-WOJBJXKFSA-N	1	2	369.421	2.693	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@@H]3C2)c1	ZINC000170664050	509707605	/nfs/dbraw/zinc/70/76/05/509707605.db2.gz	AKLMTCGIMJQNNS-WOJBJXKFSA-N	1	2	369.421	2.693	50	5		FFBALO
O=C(NC1CC1)c1ccc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1	ZINC000009156651	207260294	/nfs/dbraw/zinc/26/02/94/207260294.db2.gz	UUVOMQKXAKXEKC-UHFFFAOYSA-N	1	2	351.366	2.747	50	5		FFBALO
Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1[N+](=O)[O-]	ZINC000012935074	506918205	/nfs/dbraw/zinc/91/82/05/506918205.db2.gz	SRKCNSVYWXJQAK-UHFFFAOYSA-N	1	2	369.421	2.665	50	5		FFBALO
Cc1ccccc1N1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000055543598	136127037	/nfs/dbraw/zinc/12/70/37/136127037.db2.gz	WSUMKKWEAILRHU-UHFFFAOYSA-N	1	2	355.394	2.954	50	5		FFBALO
C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000057718126	136129994	/nfs/dbraw/zinc/12/99/94/136129994.db2.gz	OVLFURIZUOMSOC-MRXNPFEDSA-N	1	2	368.437	2.768	50	5		FFBALO
O=C(c1ccc(F)cc1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000040105746	506467800	/nfs/dbraw/zinc/46/78/00/506467800.db2.gz	GVGRYZCJXKFRNW-UHFFFAOYSA-N	1	2	373.384	2.571	50	5		FFBALO
Cc1cc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)ccc1[N+](=O)[O-]	ZINC000024208742	507397793	/nfs/dbraw/zinc/39/77/93/507397793.db2.gz	XMSMZNJABRIOBM-UHFFFAOYSA-N	1	2	369.421	2.665	50	5		FFBALO
Cc1cccc(N2CC[NH+](CC(=O)Nc3ccc(C)cc3[N+](=O)[O-])CC2)c1	ZINC000027381950	507653074	/nfs/dbraw/zinc/65/30/74/507653074.db2.gz	ZLTLOUKUAJOHLV-UHFFFAOYSA-N	1	2	368.437	2.972	50	5		FFBALO
CC(C)(C)OC(=O)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000029753828	507789087	/nfs/dbraw/zinc/78/90/87/507789087.db2.gz	WPLIQDFTOUHUPN-UHFFFAOYSA-N	1	2	351.403	2.526	50	5		FFBALO
COc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1	ZINC000012520185	207384939	/nfs/dbraw/zinc/38/49/39/207384939.db2.gz	ULANPIQCXOWWKT-UHFFFAOYSA-N	1	2	368.353	2.506	50	5		FFBALO
Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1	ZINC000016629019	507100577	/nfs/dbraw/zinc/10/05/77/507100577.db2.gz	DGBRYFZVVXWHCY-CQSZACIVSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1ccc(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)c([N+](=O)[O-])c1	ZINC000016629019	507100579	/nfs/dbraw/zinc/10/05/79/507100579.db2.gz	DGBRYFZVVXWHCY-CQSZACIVSA-N	1	2	371.393	2.614	50	5		FFBALO
COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000019732834	507197534	/nfs/dbraw/zinc/19/75/34/507197534.db2.gz	XQTYQBWHSBETCU-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2cccc([N+](=O)[O-])c2)cc1	ZINC000012795752	506903664	/nfs/dbraw/zinc/90/36/64/506903664.db2.gz	KHRGZXBEYNEPQK-IBGZPJMESA-N	1	2	369.421	2.707	50	5		FFBALO
C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000024796423	507438233	/nfs/dbraw/zinc/43/82/33/507438233.db2.gz	ZIKRIZPVJWAUGF-HOTGVXAUSA-N	1	2	360.458	2.506	50	5		FFBALO
CC[NH+](CC)[C@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000036644157	207285968	/nfs/dbraw/zinc/28/59/68/207285968.db2.gz	LTSSQRZCUMEKCX-KRWDZBQOSA-N	1	2	363.414	2.765	50	5		FFBALO
O=C(NCc1ccccc1C[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-]	ZINC000024237475	507400323	/nfs/dbraw/zinc/40/03/23/507400323.db2.gz	BNMRWXWFPDDOSM-UHFFFAOYSA-N	1	2	370.409	2.749	50	5		FFBALO
O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CC[NH+](Cc2cccnc2)CC1	ZINC000024601704	507423132	/nfs/dbraw/zinc/42/31/32/507423132.db2.gz	VVGVNDHITMHXPE-UHFFFAOYSA-N	1	2	360.801	2.601	50	5		FFBALO
CCSc1nc2c(n1C)CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000071414407	507701661	/nfs/dbraw/zinc/70/16/61/507701661.db2.gz	AXECXEOFBIOYBP-MRXNPFEDSA-N	1	2	362.455	2.532	50	5		FFBALO
CCSc1nc2c(n1C)CC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000071414407	507701669	/nfs/dbraw/zinc/70/16/69/507701669.db2.gz	AXECXEOFBIOYBP-MRXNPFEDSA-N	1	2	362.455	2.532	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1	ZINC000170664053	509707783	/nfs/dbraw/zinc/70/77/83/509707783.db2.gz	AKLMTCGIMJQNNS-VQTJNVASSA-N	1	2	369.421	2.693	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1	ZINC000170664053	509707788	/nfs/dbraw/zinc/70/77/88/509707788.db2.gz	AKLMTCGIMJQNNS-VQTJNVASSA-N	1	2	369.421	2.693	50	5		FFBALO
CN(C)C1=[NH+][C@@H]2Nc3ccccc3N(C)[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1	ZINC000239174410	524037973	/nfs/dbraw/zinc/03/79/73/524037973.db2.gz	PZFWIEROOQOKSF-KURKYZTESA-N	1	2	351.410	2.909	50	5		FFBALO
Cc1noc(C)c1C[NH+]1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000047254157	570883936	/nfs/dbraw/zinc/88/39/36/570883936.db2.gz	MFPDSDGXZDZHKU-BQYQJAHWSA-N	1	2	370.409	2.557	50	5		FFBALO
CS(=O)(=O)c1ccc(Oc2ccc(-n3cc[nH+]c3)cc2)c([N+](=O)[O-])c1	ZINC000006608693	207148514	/nfs/dbraw/zinc/14/85/14/207148514.db2.gz	JFJLYMOLGHSHCY-UHFFFAOYSA-N	1	2	359.363	2.976	50	5		FFBALO
COc1ccc([C@H](Nc2c([N+](=O)[O-])c(C)nn2C)c2[nH+]ccn2C)cc1	ZINC000040116244	208230312	/nfs/dbraw/zinc/23/03/12/208230312.db2.gz	UEHQKERZBMYQNZ-AWEZNQCLSA-N	1	2	356.386	2.580	50	5		FFBALO
O=[N+]([O-])c1ccc(NCc2ccc(N3CCCC[C@@H]3CCO)[nH+]c2)nc1	ZINC000047253886	136122688	/nfs/dbraw/zinc/12/26/88/136122688.db2.gz	NGXBHQPOLJKHQT-OAHLLOKOSA-N	1	2	357.414	2.738	50	5		FFBALO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc(-c4ccccc4)no3)CC2)cc1	ZINC000055526909	136126825	/nfs/dbraw/zinc/12/68/25/136126825.db2.gz	ZVPWCDOFMSEUGJ-UHFFFAOYSA-N	1	2	365.393	2.967	50	5		FFBALO
CC[N@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2	ZINC000058372836	507410459	/nfs/dbraw/zinc/41/04/59/507410459.db2.gz	ODUBKSKNRNCWDP-UHFFFAOYSA-N	1	2	357.366	2.784	50	5		FFBALO
CC[N@@H+](CC(=O)Nc1ccccc1[N+](=O)[O-])Cc1ccc2c(c1)OCO2	ZINC000058372836	507410470	/nfs/dbraw/zinc/41/04/70/507410470.db2.gz	ODUBKSKNRNCWDP-UHFFFAOYSA-N	1	2	357.366	2.784	50	5		FFBALO
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc(Cn2cc[nH+]c2)cc1	ZINC000030220826	507803812	/nfs/dbraw/zinc/80/38/12/507803812.db2.gz	LFFCPGFKQWLOSV-UHFFFAOYSA-N	1	2	350.378	2.699	50	5		FFBALO
Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019841666	525381649	/nfs/dbraw/zinc/38/16/49/525381649.db2.gz	KBYYESXNFFESGI-UHFFFAOYSA-N	1	2	369.421	2.626	50	5		FFBALO
O=[N+]([O-])c1c(NCc2ccc(N3CCOCC3)[nH+]c2)ccc2ncccc21	ZINC000042109822	136121148	/nfs/dbraw/zinc/12/11/48/136121148.db2.gz	FWBKWEQCNCXMJO-UHFFFAOYSA-N	1	2	365.393	2.987	50	5		FFBALO
Cc1cccc(NC(=O)C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1C	ZINC000057364208	136128854	/nfs/dbraw/zinc/12/88/54/136128854.db2.gz	LPKPVMFHUYPHBC-UHFFFAOYSA-N	1	2	368.437	2.972	50	5		FFBALO
O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CCCn2c[nH+]cc2C1	ZINC000072171653	507769094	/nfs/dbraw/zinc/76/90/94/507769094.db2.gz	JKWPPYINPAGGJE-UHFFFAOYSA-N	1	2	358.401	2.924	50	5		FFBALO
C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1	ZINC000008750358	207246751	/nfs/dbraw/zinc/24/67/51/207246751.db2.gz	QERWAZKLACDXHA-AWEZNQCLSA-N	1	2	374.466	2.801	50	5		FFBALO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1	ZINC000018151895	507141529	/nfs/dbraw/zinc/14/15/29/507141529.db2.gz	RYQQMBMIOLYZOT-CQSZACIVSA-N	1	2	360.395	2.779	50	5		FFBALO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1	ZINC000018151895	507141531	/nfs/dbraw/zinc/14/15/31/507141531.db2.gz	RYQQMBMIOLYZOT-CQSZACIVSA-N	1	2	360.395	2.779	50	5		FFBALO
CCOc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000021475931	211315359	/nfs/dbraw/zinc/31/53/59/211315359.db2.gz	ALVMEIYLJPFLBN-UHFFFAOYSA-N	1	2	369.421	2.952	50	5		FFBALO
O=[N+]([O-])c1ccccc1CN1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000001227616	210336898	/nfs/dbraw/zinc/33/68/98/210336898.db2.gz	YBNXHYNHRCFQBN-UHFFFAOYSA-N	1	2	355.394	2.641	50	5		FFBALO
O=[N+]([O-])c1ccccc1C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1	ZINC000001227616	210336901	/nfs/dbraw/zinc/33/69/01/210336901.db2.gz	YBNXHYNHRCFQBN-UHFFFAOYSA-N	1	2	355.394	2.641	50	5		FFBALO
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000023057678	507328043	/nfs/dbraw/zinc/32/80/43/507328043.db2.gz	OUVUVGOOYBYVAA-IRXDYDNUSA-N	1	2	374.485	2.674	50	5		FFBALO
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCC[C@@H]2C)CC1	ZINC000023057678	507328047	/nfs/dbraw/zinc/32/80/47/507328047.db2.gz	OUVUVGOOYBYVAA-IRXDYDNUSA-N	1	2	374.485	2.674	50	5		FFBALO
Cc1cc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000024208837	507398066	/nfs/dbraw/zinc/39/80/66/507398066.db2.gz	WVTRUHTVGKNFGK-SFHVURJKSA-N	1	2	369.421	2.707	50	5		FFBALO
Cc1cccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000023641600	211393853	/nfs/dbraw/zinc/39/38/53/211393853.db2.gz	HPNLAKXUFNBEQC-UHFFFAOYSA-N	1	2	369.421	2.740	50	5		FFBALO
COc1cc(C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1OC	ZINC000055543548	136127064	/nfs/dbraw/zinc/12/70/64/136127064.db2.gz	HHBSQWADXFHNAM-UHFFFAOYSA-N	1	2	357.410	2.934	50	5		FFBALO
Cc1cccc(C(=O)NCc2ccccc2C[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000012753195	506895338	/nfs/dbraw/zinc/89/53/38/506895338.db2.gz	KNLFEGAAWYFJMR-UHFFFAOYSA-N	1	2	369.421	2.665	50	5		FFBALO
O=C(Cn1c2ccccc2[nH+]c1NCCCO)c1cccc([N+](=O)[O-])c1	ZINC000002897748	966766186	/nfs/dbraw/zinc/76/61/86/966766186.db2.gz	CCXMXEKZGGSJMS-UHFFFAOYSA-N	1	2	354.366	2.622	50	5		FFBALO
COc1ccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019774110	220295428	/nfs/dbraw/zinc/29/54/28/220295428.db2.gz	RZYUFHUBJPPQJJ-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)s1	ZINC000001227105	210337185	/nfs/dbraw/zinc/33/71/85/210337185.db2.gz	MWVFEORPRLVLHS-UHFFFAOYSA-N	1	2	361.423	2.703	50	5		FFBALO
COc1cccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1OC	ZINC000000865096	210282499	/nfs/dbraw/zinc/28/24/99/210282499.db2.gz	PJTLESMBXJYAEN-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1cccc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1OC	ZINC000000865096	210282504	/nfs/dbraw/zinc/28/25/04/210282504.db2.gz	PJTLESMBXJYAEN-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
Cc1nn(C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)c(C)c1[N+](=O)[O-]	ZINC000054491664	221054289	/nfs/dbraw/zinc/05/42/89/221054289.db2.gz	IWXBAXBADYINHL-UHFFFAOYSA-N	1	2	371.441	2.568	50	5		FFBALO
O=[N+]([O-])c1ccccc1OCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000051374503	136124168	/nfs/dbraw/zinc/12/41/68/136124168.db2.gz	SPGQTVFCMPLXKU-UHFFFAOYSA-N	1	2	372.381	2.704	50	5		FFBALO
O=C(Nc1ccccc1)OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000052521490	136124509	/nfs/dbraw/zinc/12/45/09/136124509.db2.gz	MPTLPGCHHHWANV-UHFFFAOYSA-N	1	2	370.409	2.966	50	5		FFBALO
O=C(COc1cccc([N+](=O)[O-])c1)NCc1ccc(N2CCCCC2)[nH+]c1	ZINC000053509762	136124833	/nfs/dbraw/zinc/12/48/33/136124833.db2.gz	LSKSWWHZDXHZGH-UHFFFAOYSA-N	1	2	370.409	2.675	50	5		FFBALO
O=[N+]([O-])c1ccc2c(cnn2C[NH+]2CCN(c3ccc(F)cc3)CC2)c1	ZINC000033428398	506357005	/nfs/dbraw/zinc/35/70/05/506357005.db2.gz	CCAKXINZMUZYCU-UHFFFAOYSA-N	1	2	355.373	2.863	50	5		FFBALO
COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])c1	ZINC000040154605	506475743	/nfs/dbraw/zinc/47/57/43/506475743.db2.gz	FTPZBIMUHYWMCP-SNVBAGLBSA-N	1	2	364.427	2.827	50	5		FFBALO
COc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])c1	ZINC000040154605	506475749	/nfs/dbraw/zinc/47/57/49/506475749.db2.gz	FTPZBIMUHYWMCP-SNVBAGLBSA-N	1	2	364.427	2.827	50	5		FFBALO
Cn1ncc2c1nc[nH+]c2SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1	ZINC000011678619	506787794	/nfs/dbraw/zinc/78/77/94/506787794.db2.gz	GNLSXBJDDPCSDM-UHFFFAOYSA-N	1	2	369.366	2.614	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1	ZINC000017590101	211185854	/nfs/dbraw/zinc/18/58/54/211185854.db2.gz	OCEBNRBHZPEHHH-INIZCTEOSA-N	1	2	351.366	2.629	50	5		FFBALO
O=[N+]([O-])c1cccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000000865188	210282514	/nfs/dbraw/zinc/28/25/14/210282514.db2.gz	IMEHRNXVSBPIER-UHFFFAOYSA-N	1	2	355.394	2.641	50	5		FFBALO
O=[N+]([O-])c1cccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)c1	ZINC000000865188	210282519	/nfs/dbraw/zinc/28/25/19/210282519.db2.gz	IMEHRNXVSBPIER-UHFFFAOYSA-N	1	2	355.394	2.641	50	5		FFBALO
Cc1noc(C)c1C[NH+]1CCN(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000036391118	506403830	/nfs/dbraw/zinc/40/38/30/506403830.db2.gz	SPJJEOXAEWHOMA-UHFFFAOYSA-N	1	2	359.386	2.549	50	5		FFBALO
CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000015443448	507041480	/nfs/dbraw/zinc/04/14/80/507041480.db2.gz	SMMWNBRJYFVAAX-IBGZPJMESA-N	1	2	368.437	2.546	50	5		FFBALO
Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1Cn1cc[nH+]c1	ZINC000095995788	508200576	/nfs/dbraw/zinc/20/05/76/508200576.db2.gz	ORSYLDDGVGZQDR-UHFFFAOYSA-N	1	2	372.406	2.949	50	5		FFBALO
O=[N+]([O-])c1ccc(CN2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000000865246	210283026	/nfs/dbraw/zinc/28/30/26/210283026.db2.gz	YBVYBXITRCVUEC-UHFFFAOYSA-N	1	2	355.394	2.641	50	5		FFBALO
O=[N+]([O-])c1ccc(C[NH+]2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1	ZINC000000865246	210283030	/nfs/dbraw/zinc/28/30/30/210283030.db2.gz	YBVYBXITRCVUEC-UHFFFAOYSA-N	1	2	355.394	2.641	50	5		FFBALO
CC(C)(CNC(=O)c1cc2cc([N+](=O)[O-])ccc2s1)[NH+]1CCOCC1	ZINC000032674434	506277050	/nfs/dbraw/zinc/27/70/50/506277050.db2.gz	QNMFFVFQWKZAKB-UHFFFAOYSA-N	1	2	363.439	2.650	50	5		FFBALO
Cc1sc(C(=O)NCC[NH+]2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-]	ZINC000032827678	506300625	/nfs/dbraw/zinc/30/06/25/506300625.db2.gz	XCXRLKXUKXVWHK-UHFFFAOYSA-N	1	2	374.466	2.517	50	5		FFBALO
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1	ZINC000023057677	507328131	/nfs/dbraw/zinc/32/81/31/507328131.db2.gz	OUVUVGOOYBYVAA-SJORKVTESA-N	1	2	374.485	2.674	50	5		FFBALO
C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCN(CC(=O)N2CCCC[C@H]2C)CC1	ZINC000023057677	507328139	/nfs/dbraw/zinc/32/81/39/507328139.db2.gz	OUVUVGOOYBYVAA-SJORKVTESA-N	1	2	374.485	2.674	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F	ZINC000008719866	210799801	/nfs/dbraw/zinc/79/98/01/210799801.db2.gz	VFFKOZFUYFELRW-INIZCTEOSA-N	1	2	369.356	2.768	50	5		FFBALO
COc1ccccc1C(=O)N1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000058165848	221102026	/nfs/dbraw/zinc/10/20/26/221102026.db2.gz	FQYPXDICTPIWKO-UHFFFAOYSA-N	1	2	369.421	2.952	50	5		FFBALO
COc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])CC1	ZINC000058165848	221102030	/nfs/dbraw/zinc/10/20/30/221102030.db2.gz	FQYPXDICTPIWKO-UHFFFAOYSA-N	1	2	369.421	2.952	50	5		FFBALO
Cc1cc(C[NH+]2CCN(c3ccc4ncccc4c3[N+](=O)[O-])CC2)on1	ZINC000042109789	136121043	/nfs/dbraw/zinc/12/10/43/136121043.db2.gz	FZNVSURCRFZOJU-UHFFFAOYSA-N	1	2	353.382	2.762	50	5		FFBALO
C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000007050174	506528356	/nfs/dbraw/zinc/52/83/56/506528356.db2.gz	BHKMOWCNDZUTNE-CYBMUJFWSA-N	1	2	372.406	2.820	50	5		FFBALO
COc1ccc([C@@H](NC(=O)c2ccccc2[N+](=O)[O-])c2[nH+]ccn2C)cc1	ZINC000012519854	506870149	/nfs/dbraw/zinc/87/01/49/506870149.db2.gz	ALOWSMCYIMKVNX-QGZVFWFLSA-N	1	2	366.377	2.856	50	5		FFBALO
COc1cc(C(=O)OCc2cn3cccc(C)c3[nH+]2)c([N+](=O)[O-])cc1OC	ZINC000012582439	506880513	/nfs/dbraw/zinc/88/05/13/506880513.db2.gz	PZPXMSAVSDXBIX-UHFFFAOYSA-N	1	2	371.349	2.925	50	5		FFBALO
Cc1ccc([C@H](C[NH+]2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000024684705	507429745	/nfs/dbraw/zinc/42/97/45/507429745.db2.gz	SLXSFRVZCMGNGM-IBGZPJMESA-N	1	2	369.421	2.707	50	5		FFBALO
COc1ccc(C[N@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000029502353	507780330	/nfs/dbraw/zinc/78/03/30/507780330.db2.gz	UIYGCNHKPVUASU-UHFFFAOYSA-N	1	2	353.382	2.951	50	5		FFBALO
COc1ccc(C[N@@H+](C)Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)cc1	ZINC000029502353	507780333	/nfs/dbraw/zinc/78/03/33/507780333.db2.gz	UIYGCNHKPVUASU-UHFFFAOYSA-N	1	2	353.382	2.951	50	5		FFBALO
COC(=O)C1CC[NH+]([C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	ZINC000015413017	211128420	/nfs/dbraw/zinc/12/84/20/211128420.db2.gz	PIXUGZRHZKHPMJ-NSHDSACASA-N	1	2	360.370	2.591	50	5		FFBALO
COc1cccc(C[N@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1	ZINC000006639934	506494416	/nfs/dbraw/zinc/49/44/16/506494416.db2.gz	QUWOFKHOGQYRPZ-UHFFFAOYSA-N	1	2	359.382	2.683	50	5		FFBALO
COc1cccc(C[N@@H+](C)CC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c1	ZINC000006639934	506494424	/nfs/dbraw/zinc/49/44/24/506494424.db2.gz	QUWOFKHOGQYRPZ-UHFFFAOYSA-N	1	2	359.382	2.683	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000009377753	506695253	/nfs/dbraw/zinc/69/52/53/506695253.db2.gz	PNDZIWVYHVNPPW-INIZCTEOSA-N	1	2	354.341	2.987	50	5		FFBALO
COc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c(OC)c1	ZINC000000652176	219309649	/nfs/dbraw/zinc/30/96/49/219309649.db2.gz	DVCVRIKNRDSFIS-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c(OC)c1	ZINC000000652176	219309652	/nfs/dbraw/zinc/30/96/52/219309652.db2.gz	DVCVRIKNRDSFIS-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
Cc1ccc(C(=O)N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000012754103	220024499	/nfs/dbraw/zinc/02/44/99/220024499.db2.gz	HXFBLJSCNRFMHI-SFHVURJKSA-N	1	2	369.421	2.707	50	5		FFBALO
CC(C)(C)Nc1nc(Nc2cccc([N+](=O)[O-])c2)nc(-n2cc[nH+]c2)n1	ZINC000001445823	506261948	/nfs/dbraw/zinc/26/19/48/506261948.db2.gz	FLAXNBPBCPQEBY-UHFFFAOYSA-N	1	2	354.374	2.920	50	5		FFBALO
O=C(NCCCn1cc[nH+]c1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1	ZINC000004863704	506400640	/nfs/dbraw/zinc/40/06/40/506400640.db2.gz	RYXNDSRZZGWNBY-UHFFFAOYSA-N	1	2	371.441	2.992	50	5		FFBALO
COc1cccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1OC	ZINC000005051455	506419694	/nfs/dbraw/zinc/41/96/94/506419694.db2.gz	DYMMILBRMHARMV-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1cccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1OC	ZINC000005051455	506419700	/nfs/dbraw/zinc/41/97/00/506419700.db2.gz	DYMMILBRMHARMV-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000015443450	507041795	/nfs/dbraw/zinc/04/17/95/507041795.db2.gz	SMMWNBRJYFVAAX-LJQANCHMSA-N	1	2	368.437	2.546	50	5		FFBALO
O=[N+]([O-])c1cccnc1N1CC[NH+](CCOc2ccccc2Cl)CC1	ZINC000024572834	507419216	/nfs/dbraw/zinc/41/92/16/507419216.db2.gz	KGLBYFUQWLZTSV-UHFFFAOYSA-N	1	2	362.817	2.844	50	5		FFBALO
COc1ccc(OC)c(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000000865109	219333464	/nfs/dbraw/zinc/33/34/64/219333464.db2.gz	PWYNSFSNBBUWGV-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(OC)c(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c1	ZINC000000865109	219333468	/nfs/dbraw/zinc/33/34/68/219333468.db2.gz	PWYNSFSNBBUWGV-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000032779502	506295626	/nfs/dbraw/zinc/29/56/26/506295626.db2.gz	YRDKLPOUZURCQE-GOSISDBHSA-N	1	2	370.409	2.790	50	5		FFBALO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000016629062	220189026	/nfs/dbraw/zinc/18/90/26/220189026.db2.gz	CEAUWPWQLKZKKF-OAHLLOKOSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@@H]1COc2ccccc2O1	ZINC000016629062	220189028	/nfs/dbraw/zinc/18/90/28/220189028.db2.gz	CEAUWPWQLKZKKF-OAHLLOKOSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(O)c3[N+](=O)[O-])CC2)c1	ZINC000253418281	509880154	/nfs/dbraw/zinc/88/01/54/509880154.db2.gz	NZPXETBWSMCGKR-UHFFFAOYSA-N	1	2	355.394	2.567	50	5		FFBALO
CS(=O)(=O)c1ccc(Nc2ccc(N3CCCC3)[nH+]c2)c([N+](=O)[O-])c1	ZINC000012558583	220007134	/nfs/dbraw/zinc/00/71/34/220007134.db2.gz	UAKGNNKYKXFTHD-UHFFFAOYSA-N	1	2	362.411	2.737	50	5		FFBALO
COc1cccc(C[N@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1	ZINC000054425061	221052603	/nfs/dbraw/zinc/05/26/03/221052603.db2.gz	ZAMVSCTZYUPHNR-UHFFFAOYSA-N	1	2	353.382	2.951	50	5		FFBALO
COc1cccc(C[N@@H+](C)Cn2cnc(-c3cccc([N+](=O)[O-])c3)n2)c1	ZINC000054425061	221052607	/nfs/dbraw/zinc/05/26/07/221052607.db2.gz	ZAMVSCTZYUPHNR-UHFFFAOYSA-N	1	2	353.382	2.951	50	5		FFBALO
O=C(Nc1cccc([N+](=O)[O-])c1Cl)N1CCN(c2cccc[nH+]2)CC1	ZINC000225850916	132286791	/nfs/dbraw/zinc/28/67/91/132286791.db2.gz	DSEKMKWBKZVLKM-UHFFFAOYSA-N	1	2	361.789	2.997	50	5		FFBALO
CC(=O)c1ccc(NCc2ccc(N3CCOCC3)[nH+]c2)c([N+](=O)[O-])c1	ZINC000012823354	506908025	/nfs/dbraw/zinc/90/80/25/506908025.db2.gz	KGCRODSOXGYLJQ-UHFFFAOYSA-N	1	2	356.382	2.641	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@H+](Cc4ccccc4)[C@H]3C2)c1	ZINC000252584436	509853545	/nfs/dbraw/zinc/85/35/45/509853545.db2.gz	AKLMTCGIMJQNNS-PMACEKPBSA-N	1	2	369.421	2.693	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@@H]3OCC[N@@H+](Cc4ccccc4)[C@H]3C2)c1	ZINC000252584436	509853550	/nfs/dbraw/zinc/85/35/50/509853550.db2.gz	AKLMTCGIMJQNNS-PMACEKPBSA-N	1	2	369.421	2.693	50	5		FFBALO
O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccc3F)CC2)c2c(c1)COCO2	ZINC000012562890	220007921	/nfs/dbraw/zinc/00/79/21/220007921.db2.gz	CPZWGLXFLLNXEU-UHFFFAOYSA-N	1	2	373.384	2.923	50	5		FFBALO
O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccccc3)CC2)c2c(c1)COCO2	ZINC000057438397	136129358	/nfs/dbraw/zinc/12/93/58/136129358.db2.gz	NTCMCPGOSKJUQF-UHFFFAOYSA-N	1	2	355.394	2.784	50	5		FFBALO
COc1ccc(C=O)cc1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032919311	506313259	/nfs/dbraw/zinc/31/32/59/506313259.db2.gz	QOWWWBHGGSQJQJ-UHFFFAOYSA-N	1	2	355.394	2.738	50	5		FFBALO
C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccsc2)CC1	ZINC000008750362	506665611	/nfs/dbraw/zinc/66/56/11/506665611.db2.gz	QERWAZKLACDXHA-CQSZACIVSA-N	1	2	374.466	2.801	50	5		FFBALO
C[NH+]1CCN(CCCn2c(=O)c3cc4ccccc4cc3[nH]c2=S)CC1	ZINC000020644356	507229253	/nfs/dbraw/zinc/22/92/53/507229253.db2.gz	MAGSNCZTIISPQJ-UHFFFAOYSA-N	1	2	368.506	2.850	50	5		FFBALO
COc1cccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1OC	ZINC000000652165	219309274	/nfs/dbraw/zinc/30/92/74/219309274.db2.gz	VYAXFJDEBDZTHP-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1cccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1OC	ZINC000000652165	219309277	/nfs/dbraw/zinc/30/92/77/219309277.db2.gz	VYAXFJDEBDZTHP-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccccc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C	ZINC000009319059	219877688	/nfs/dbraw/zinc/87/76/88/219877688.db2.gz	CZXDJCAODQHRPD-KRWDZBQOSA-N	1	2	366.377	2.856	50	5		FFBALO
Cc1cc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c2ccccc2[nH+]1	ZINC000013135486	220059420	/nfs/dbraw/zinc/05/94/20/220059420.db2.gz	VQBCTSZDNAFWDN-UHFFFAOYSA-N	1	2	361.354	2.813	50	5		FFBALO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1	ZINC000057451363	221089812	/nfs/dbraw/zinc/08/98/12/221089812.db2.gz	CJTPQHPCSHTCRL-AWEZNQCLSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1	ZINC000057451363	221089814	/nfs/dbraw/zinc/08/98/14/221089814.db2.gz	CJTPQHPCSHTCRL-AWEZNQCLSA-N	1	2	371.393	2.614	50	5		FFBALO
O=C(OCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(F)cc1	ZINC000052521492	136124377	/nfs/dbraw/zinc/12/43/77/136124377.db2.gz	SDCUMROJRGHTPN-UHFFFAOYSA-N	1	2	373.384	2.713	50	5		FFBALO
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000032806091	506297501	/nfs/dbraw/zinc/29/75/01/506297501.db2.gz	VRUNKLDHQHJFSZ-GOSISDBHSA-N	1	2	370.409	2.790	50	5		FFBALO
COc1ccc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1	ZINC000004777655	506393752	/nfs/dbraw/zinc/39/37/52/506393752.db2.gz	ZIIRSDSRNJEPIV-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)c(OC)c1	ZINC000004777655	506393765	/nfs/dbraw/zinc/39/37/65/506393765.db2.gz	ZIIRSDSRNJEPIV-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](c1ccsc1)[NH+](C)C	ZINC000046033664	507066132	/nfs/dbraw/zinc/06/61/32/507066132.db2.gz	NGXVFBIZRNBEIY-AWEZNQCLSA-N	1	2	369.468	2.546	50	5		FFBALO
C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000024796401	507439465	/nfs/dbraw/zinc/43/94/65/507439465.db2.gz	ZIKRIZPVJWAUGF-HZPDHXFCSA-N	1	2	360.458	2.506	50	5		FFBALO
O=[N+]([O-])c1cccnc1NCc1ccc(N2CCCC[C@@H]2CCO)[nH+]c1	ZINC000047253878	136122674	/nfs/dbraw/zinc/12/26/74/136122674.db2.gz	KOWVYTZJOIKDRE-OAHLLOKOSA-N	1	2	357.414	2.738	50	5		FFBALO
COc1ccc([C@@H](Nc2c([N+](=O)[O-])c(C)nn2C)c2[nH+]ccn2C)cc1	ZINC000040116246	506468695	/nfs/dbraw/zinc/46/86/95/506468695.db2.gz	UEHQKERZBMYQNZ-CQSZACIVSA-N	1	2	356.386	2.580	50	5		FFBALO
CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1	ZINC000006594375	506490899	/nfs/dbraw/zinc/49/08/99/506490899.db2.gz	SVVGNZYPGCJDLE-HNNXBMFYSA-N	1	2	374.422	2.594	50	5		FFBALO
CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2[N+](=O)[O-])N3)C1	ZINC000006594375	506490904	/nfs/dbraw/zinc/49/09/04/506490904.db2.gz	SVVGNZYPGCJDLE-HNNXBMFYSA-N	1	2	374.422	2.594	50	5		FFBALO
Cc1cc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000024208846	507397618	/nfs/dbraw/zinc/39/76/18/507397618.db2.gz	WVTRUHTVGKNFGK-GOSISDBHSA-N	1	2	369.421	2.707	50	5		FFBALO
COC(=O)c1ccc([C@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1	ZINC000025913132	507542886	/nfs/dbraw/zinc/54/28/86/507542886.db2.gz	UCABCPRUQVZHNN-ZDUSSCGKSA-N	1	2	359.382	2.858	50	5		FFBALO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nnc(-c4ccccc4)o3)CC2)cc1	ZINC000058138356	136130528	/nfs/dbraw/zinc/13/05/28/136130528.db2.gz	RTLMVYJNWVBYOV-UHFFFAOYSA-N	1	2	365.393	2.967	50	5		FFBALO
O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@@H](O)c2ccc3c(c2)OCCO3)c1	ZINC000058174322	507379067	/nfs/dbraw/zinc/37/90/67/507379067.db2.gz	MIALUKHMDJOXKP-MRXNPFEDSA-N	1	2	367.361	2.963	50	5		FFBALO
O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1cc[nH+]c(N2CCCC2)c1	ZINC000032906155	506309413	/nfs/dbraw/zinc/30/94/13/506309413.db2.gz	UCXHAXJPGYAEKT-UHFFFAOYSA-N	1	2	372.450	2.999	50	5		FFBALO
C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000033040260	506328164	/nfs/dbraw/zinc/32/81/64/506328164.db2.gz	GZNWYFRJXODHLJ-IXDOHACOSA-N	1	2	374.485	2.895	50	5		FFBALO
Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	ZINC000019541854	507176927	/nfs/dbraw/zinc/17/69/27/507176927.db2.gz	GDEGDJTZJVGETD-UHFFFAOYSA-N	1	2	357.366	2.702	50	5		FFBALO
Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1	ZINC000019541854	507176932	/nfs/dbraw/zinc/17/69/32/507176932.db2.gz	GDEGDJTZJVGETD-UHFFFAOYSA-N	1	2	357.366	2.702	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3Cc2ccccc2)c1	ZINC000230277179	509435509	/nfs/dbraw/zinc/43/55/09/509435509.db2.gz	AKLMTCGIMJQNNS-UXHICEINSA-N	1	2	369.421	2.693	50	5		FFBALO
COc1ccc([N+](=O)[O-])c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)c1	ZINC000230277179	509435514	/nfs/dbraw/zinc/43/55/14/509435514.db2.gz	AKLMTCGIMJQNNS-UXHICEINSA-N	1	2	369.421	2.693	50	5		FFBALO
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000245224693	509884689	/nfs/dbraw/zinc/88/46/89/509884689.db2.gz	BRTBDCZMCJQSEH-MJEQTWJJSA-N	1	2	358.398	2.708	50	5		FFBALO
COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000245224693	509884694	/nfs/dbraw/zinc/88/46/94/509884694.db2.gz	BRTBDCZMCJQSEH-MJEQTWJJSA-N	1	2	358.398	2.708	50	5		FFBALO
COc1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc2c1OCO2	ZINC000055031458	1018241519	/nfs/dbraw/zinc/24/15/19/1018241519.db2.gz	FMOLHHICKNMUMF-UHFFFAOYSA-N	1	2	371.393	2.654	50	5		FFBALO
COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1[nH+]cc2ccccn21	ZINC000009467037	204369606	/nfs/dbraw/zinc/36/96/06/204369606.db2.gz	KBJRQTUIPFNPSD-UHFFFAOYSA-N	1	2	358.379	2.982	50	5		FFBALO
COc1cc(CN2CC[NH+](Cc3ccccc3)CC2)cc([N+](=O)[O-])c1O	ZINC000019537477	507176752	/nfs/dbraw/zinc/17/67/52/507176752.db2.gz	ZSASJJCKLIHXAY-UHFFFAOYSA-N	1	2	357.410	2.627	50	5		FFBALO
CCSc1nc2c(n1C)CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000071414405	507702558	/nfs/dbraw/zinc/70/25/58/507702558.db2.gz	AXECXEOFBIOYBP-INIZCTEOSA-N	1	2	362.455	2.532	50	5		FFBALO
CCSc1nc2c(n1C)CC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C2	ZINC000071414405	507702560	/nfs/dbraw/zinc/70/25/60/507702560.db2.gz	AXECXEOFBIOYBP-INIZCTEOSA-N	1	2	362.455	2.532	50	5		FFBALO
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N1CCCC[C@H]1c1[nH]cc[nH+]1	ZINC000079092260	507932205	/nfs/dbraw/zinc/93/22/05/507932205.db2.gz	PRNHJEANDYWOCD-ZDUSSCGKSA-N	1	2	350.400	2.542	50	5		FFBALO
COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])c1	ZINC000040154604	205060784	/nfs/dbraw/zinc/06/07/84/205060784.db2.gz	FTPZBIMUHYWMCP-JTQLQIEISA-N	1	2	364.427	2.827	50	5		FFBALO
COc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2cnc(C)s2)c([N+](=O)[O-])c1	ZINC000040154604	205060789	/nfs/dbraw/zinc/06/07/89/205060789.db2.gz	FTPZBIMUHYWMCP-JTQLQIEISA-N	1	2	364.427	2.827	50	5		FFBALO
COc1cc(NCc2ccc[nH+]c2N2CCOCC2)c(F)cc1[N+](=O)[O-]	ZINC000089423827	522746861	/nfs/dbraw/zinc/74/68/61/522746861.db2.gz	DAYSFJBFASHENH-UHFFFAOYSA-N	1	2	362.361	2.586	50	5		FFBALO
COc1ccc(NC(=O)Nc2ccc(-n3cc[nH+]c3)nc2)c([N+](=O)[O-])c1	ZINC000032824205	506300725	/nfs/dbraw/zinc/30/07/25/506300725.db2.gz	WJKUWKFXEOAHEX-UHFFFAOYSA-N	1	2	354.326	2.828	50	5		FFBALO
COc1ccc([C@H](NC(=O)c2ccccc2[N+](=O)[O-])c2[nH+]ccn2C)cc1	ZINC000012519855	506870569	/nfs/dbraw/zinc/87/05/69/506870569.db2.gz	ALOWSMCYIMKVNX-KRWDZBQOSA-N	1	2	366.377	2.856	50	5		FFBALO
COc1cccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000019565306	507180766	/nfs/dbraw/zinc/18/07/66/507180766.db2.gz	FCEYNKZMRVVIST-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
COc1cccc(C(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000019773529	507201306	/nfs/dbraw/zinc/20/13/06/507201306.db2.gz	AGAYPYXCWACMFZ-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
COC(=O)c1cc(C)nc(NCCCCNc2cccc[nH+]2)c1[N+](=O)[O-]	ZINC000225819176	509390510	/nfs/dbraw/zinc/39/05/10/509390510.db2.gz	LDNUDCVSGGNZLZ-UHFFFAOYSA-N	1	2	359.386	2.784	50	5		FFBALO
COc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2[nH+]ccn2C)cc1	ZINC000008720047	204340648	/nfs/dbraw/zinc/34/06/48/204340648.db2.gz	JPHBXEHAFAEELC-KRWDZBQOSA-N	1	2	366.377	2.856	50	5		FFBALO
Cc1cccn2cc(CCNC(=O)N3Cc4ccc([N+](=O)[O-])cc4C3)[nH+]c12	ZINC000170649322	509698622	/nfs/dbraw/zinc/69/86/22/509698622.db2.gz	BNYUNOFPBBXYRZ-UHFFFAOYSA-N	1	2	365.393	2.819	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000009115210	204354357	/nfs/dbraw/zinc/35/43/57/204354357.db2.gz	XCUVNCZXFBHQPE-INIZCTEOSA-N	1	2	354.341	2.987	50	5		FFBALO
CC(=O)c1ccc(N2CC[NH+](CCOc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000069447872	136138060	/nfs/dbraw/zinc/13/80/60/136138060.db2.gz	XYBGJWLASJBIEV-UHFFFAOYSA-N	1	2	369.421	2.998	50	5		FFBALO
O=C(NC[C@H](c1ccccc1)[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-]	ZINC000032779500	506295795	/nfs/dbraw/zinc/29/57/95/506295795.db2.gz	VDZZRAIYNHEZEC-GOSISDBHSA-N	1	2	370.409	2.790	50	5		FFBALO
O=C(Nc1ccc([N+](=O)[O-])cc1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000032806089	506297238	/nfs/dbraw/zinc/29/72/38/506297238.db2.gz	VRUNKLDHQHJFSZ-SFHVURJKSA-N	1	2	370.409	2.790	50	5		FFBALO
O=[N+]([O-])c1cc(F)ccc1N1CCN(Cc2cn3ccccc3[nH+]2)CC1	ZINC000045615313	506991593	/nfs/dbraw/zinc/99/15/93/506991593.db2.gz	NZTRLHSVZXRBMO-UHFFFAOYSA-N	1	2	355.373	2.704	50	5		FFBALO
Cn1cc[nH+]c1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1	ZINC000017590102	507126280	/nfs/dbraw/zinc/12/62/80/507126280.db2.gz	OCEBNRBHZPEHHH-MRXNPFEDSA-N	1	2	351.366	2.629	50	5		FFBALO
C[N@@H+]1CCc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C1	ZINC000018103972	507136941	/nfs/dbraw/zinc/13/69/41/507136941.db2.gz	KRPXBCNFKOWGQT-UHFFFAOYSA-N	1	2	373.438	2.866	50	5		FFBALO
C[N@H+]1CCc2nc(NC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)sc2C1	ZINC000018103972	507136950	/nfs/dbraw/zinc/13/69/50/507136950.db2.gz	KRPXBCNFKOWGQT-UHFFFAOYSA-N	1	2	373.438	2.866	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F	ZINC000018236574	507146982	/nfs/dbraw/zinc/14/69/82/507146982.db2.gz	BUOVZHWYFYGZGW-INIZCTEOSA-N	1	2	354.341	2.987	50	5		FFBALO
COc1cccc(N2CC[C@@H](C[NH2+]Cc3cc(O)ccc3[N+](=O)[O-])C2)c1	ZINC000079046048	507927780	/nfs/dbraw/zinc/92/77/80/507927780.db2.gz	DEECICJYKMMRAY-AWEZNQCLSA-N	1	2	357.410	2.925	50	5		FFBALO
O=[N+]([O-])c1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2c(c1)COCO2	ZINC000057478243	136129560	/nfs/dbraw/zinc/12/95/60/136129560.db2.gz	CVRFUMXGRIBYGL-UHFFFAOYSA-N	1	2	373.384	2.923	50	5		FFBALO
COc1cc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1	ZINC000000865231	506236930	/nfs/dbraw/zinc/23/69/30/506236930.db2.gz	IUNIQBKYVAPVTO-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1cc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1	ZINC000000865231	506236940	/nfs/dbraw/zinc/23/69/40/506236940.db2.gz	IUNIQBKYVAPVTO-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2ccc3c(c2)OCO3)CC1	ZINC000015208446	507025170	/nfs/dbraw/zinc/02/51/70/507025170.db2.gz	YLBZHPHLWOTYRL-UHFFFAOYSA-N	1	2	359.357	2.785	50	5		FFBALO
Cc1c(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-]	ZINC000019541860	507179030	/nfs/dbraw/zinc/17/90/30/507179030.db2.gz	XUFNXDWADJPFMU-UHFFFAOYSA-N	1	2	357.366	2.702	50	5		FFBALO
Cc1c(NC(=O)C[N@H+](C)Cc2ccc3c(c2)OCO3)cccc1[N+](=O)[O-]	ZINC000019541860	507179032	/nfs/dbraw/zinc/17/90/32/507179032.db2.gz	XUFNXDWADJPFMU-UHFFFAOYSA-N	1	2	357.366	2.702	50	5		FFBALO
COc1cc(OC)cc([C@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn2C)c1	ZINC000028620309	507731253	/nfs/dbraw/zinc/73/12/53/507731253.db2.gz	AYHVBHLAEQJCMZ-INIZCTEOSA-N	1	2	369.381	2.942	50	5		FFBALO
O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1ccc(N2CCCC2)[nH+]c1	ZINC000030299319	507805518	/nfs/dbraw/zinc/80/55/18/507805518.db2.gz	OAUPCCHNGKPCSH-UHFFFAOYSA-N	1	2	372.450	2.999	50	5		FFBALO
CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000019789991	520971813	/nfs/dbraw/zinc/97/18/13/520971813.db2.gz	SDKNZFSOAWLOAT-UHFFFAOYSA-N	1	2	369.421	2.952	50	5		FFBALO
CC[NH+](CC)[C@@H](C(=O)NC1CCCC1)c1cc2c(cc1[N+](=O)[O-])OCO2	ZINC000036644159	204382216	/nfs/dbraw/zinc/38/22/16/204382216.db2.gz	LTSSQRZCUMEKCX-QGZVFWFLSA-N	1	2	363.414	2.765	50	5		FFBALO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1cnc(C)s1	ZINC000047259175	205144239	/nfs/dbraw/zinc/14/42/39/205144239.db2.gz	IGQDFODUNWDQHQ-SNVBAGLBSA-N	1	2	364.427	2.827	50	5		FFBALO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1cnc(C)s1	ZINC000047259175	205144242	/nfs/dbraw/zinc/14/42/42/205144242.db2.gz	IGQDFODUNWDQHQ-SNVBAGLBSA-N	1	2	364.427	2.827	50	5		FFBALO
Cc1cc(NC(=O)C[NH+]2CCN(c3ccccc3)CC2)c([N+](=O)[O-])cc1C	ZINC000057338179	136128641	/nfs/dbraw/zinc/12/86/41/136128641.db2.gz	VTYJMGXIUGTHTN-UHFFFAOYSA-N	1	2	368.437	2.972	50	5		FFBALO
Cc1ccc2[nH+]c(COC(=O)c3cc4c(cc3[N+](=O)[O-])OCO4)cn2c1	ZINC000032830060	506300022	/nfs/dbraw/zinc/30/00/22/506300022.db2.gz	VYHDSWVAAKUCEW-UHFFFAOYSA-N	1	2	355.306	2.637	50	5		FFBALO
COC(=O)c1ccc([C@@H](C)[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)o1	ZINC000025913125	507542561	/nfs/dbraw/zinc/54/25/61/507542561.db2.gz	UCABCPRUQVZHNN-CYBMUJFWSA-N	1	2	359.382	2.858	50	5		FFBALO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)cc1	ZINC000052658602	136124534	/nfs/dbraw/zinc/12/45/34/136124534.db2.gz	HOPLHGHUTSGSHA-UHFFFAOYSA-N	1	2	373.384	2.923	50	5		FFBALO
CCC(CC)[C@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCOCC1	ZINC000024828870	507442129	/nfs/dbraw/zinc/44/21/29/507442129.db2.gz	NTRDCHNOQOADSC-ZDUSSCGKSA-N	1	2	355.460	2.523	50	5		FFBALO
CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1	ZINC000030967497	208008686	/nfs/dbraw/zinc/00/86/86/208008686.db2.gz	SDAXPMKVYFUQHI-UHFFFAOYSA-N	1	2	371.393	2.827	50	5		FFBALO
CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc([N+](=O)[O-])c1	ZINC000030967497	208008692	/nfs/dbraw/zinc/00/86/92/208008692.db2.gz	SDAXPMKVYFUQHI-UHFFFAOYSA-N	1	2	371.393	2.827	50	5		FFBALO
O=C(C[NH+]1CCC([C@@H](O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000012745630	506893857	/nfs/dbraw/zinc/89/38/57/506893857.db2.gz	RBIAPBJCAPVDGO-FQEVSTJZSA-N	1	2	369.421	2.979	50	5		FFBALO
CCC(CC)[C@@H](CNC(=O)c1ccc([N+](=O)[O-])s1)[NH+]1CCOCC1	ZINC000024828869	507442095	/nfs/dbraw/zinc/44/20/95/507442095.db2.gz	NTRDCHNOQOADSC-CYBMUJFWSA-N	1	2	355.460	2.523	50	5		FFBALO
O=C(NCc1ccnc(-n2cc[nH+]c2)c1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000062581443	507676365	/nfs/dbraw/zinc/67/63/65/507676365.db2.gz	VNYONRLWONVLEL-UHFFFAOYSA-N	1	2	357.757	2.759	50	5		FFBALO
COC(=O)c1cccc([N+](=O)[O-])c1C[NH+]1CCN(c2ccc(F)cc2)CC1	ZINC000059846825	536814176	/nfs/dbraw/zinc/81/41/76/536814176.db2.gz	AUSDNLSXUAWTAE-UHFFFAOYSA-N	1	2	373.384	2.843	50	5		FFBALO
C[C@@H](C(=O)N(C)c1ccccc1)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000057718119	136129966	/nfs/dbraw/zinc/12/99/66/136129966.db2.gz	OVLFURIZUOMSOC-INIZCTEOSA-N	1	2	368.437	2.768	50	5		FFBALO
CS(=O)(=O)c1ccc(NCCc2[nH]c3ccccc3[nH+]2)c([N+](=O)[O-])c1	ZINC000057877445	507347766	/nfs/dbraw/zinc/34/77/66/507347766.db2.gz	UNUCPJKPGIGDOJ-UHFFFAOYSA-N	1	2	360.395	2.529	50	5		FFBALO
O=[N+]([O-])c1cccc(-c2[nH+]ccn2C[C@H](O)c2ccc3c(c2)OCCO3)c1	ZINC000058174320	507379045	/nfs/dbraw/zinc/37/90/45/507379045.db2.gz	MIALUKHMDJOXKP-INIZCTEOSA-N	1	2	367.361	2.963	50	5		FFBALO
COC(=O)c1oc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1C	ZINC000025913158	507542165	/nfs/dbraw/zinc/54/21/65/507542165.db2.gz	IDWVPOAKCVZIEV-UHFFFAOYSA-N	1	2	359.382	2.605	50	5		FFBALO
Cn1cc[nH+]c1[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1F	ZINC000008719865	207243021	/nfs/dbraw/zinc/24/30/21/207243021.db2.gz	VFFKOZFUYFELRW-MRXNPFEDSA-N	1	2	369.356	2.768	50	5		FFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccc(F)cc1	ZINC000009377752	207269290	/nfs/dbraw/zinc/26/92/90/207269290.db2.gz	PNDZIWVYHVNPPW-MRXNPFEDSA-N	1	2	354.341	2.987	50	5		FFBALO
C[NH+](C)[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000033012141	208065148	/nfs/dbraw/zinc/06/51/48/208065148.db2.gz	SMOAPABBSQMGMS-AWEZNQCLSA-N	1	2	369.468	2.775	50	5		FFBALO
Cc1[nH+]c2cc(NS(=O)(=O)Cc3ccccc3[N+](=O)[O-])ccc2n1C	ZINC000095995772	209093967	/nfs/dbraw/zinc/09/39/67/209093967.db2.gz	WMCKJUDQKMLINU-UHFFFAOYSA-N	1	2	360.395	2.732	50	5		FFBALO
Cc1cccc(C)c1NC(=O)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000055345836	136126514	/nfs/dbraw/zinc/12/65/14/136126514.db2.gz	HNTREHRVXGKHJA-UHFFFAOYSA-N	1	2	368.437	2.972	50	5		FFBALO
COc1ccccc1C[NH+]1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000019570441	507180555	/nfs/dbraw/zinc/18/05/55/507180555.db2.gz	DIFVTZDHJJYHQI-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc(F)c1	ZINC000009115207	207258402	/nfs/dbraw/zinc/25/84/02/207258402.db2.gz	XCUVNCZXFBHQPE-MRXNPFEDSA-N	1	2	354.341	2.987	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1F	ZINC000009364370	207268753	/nfs/dbraw/zinc/26/87/53/207268753.db2.gz	FQDLXRATLNOAHO-INIZCTEOSA-N	1	2	354.341	2.987	50	5		FFBALO
O=C(c1ccccc1F)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000036393213	207280645	/nfs/dbraw/zinc/28/06/45/207280645.db2.gz	YGRXSFRXAJQYAP-UHFFFAOYSA-N	1	2	373.384	2.571	50	5		FFBALO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000032779503	208043577	/nfs/dbraw/zinc/04/35/77/208043577.db2.gz	YRDKLPOUZURCQE-SFHVURJKSA-N	1	2	370.409	2.790	50	5		FFBALO
CC(=O)c1ccc(N2CC[NH+](Cc3c(C)noc3C)CC2)c([N+](=O)[O-])c1	ZINC000097054114	132227347	/nfs/dbraw/zinc/22/73/47/132227347.db2.gz	RYGIBZYFKXRKNP-UHFFFAOYSA-N	1	2	358.398	2.724	50	5		FFBALO
O=[N+]([O-])c1cc(F)ccc1N1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1	ZINC000057877336	136130383	/nfs/dbraw/zinc/13/03/83/136130383.db2.gz	ILPWPWMBYGEECB-UHFFFAOYSA-N	1	2	373.384	2.827	50	5		FFBALO
COc1ccc(OC)c(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000000652085	506226805	/nfs/dbraw/zinc/22/68/05/506226805.db2.gz	QLVFCBTWSCJGGX-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(OC)c(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)c1	ZINC000000652085	506226811	/nfs/dbraw/zinc/22/68/11/506226811.db2.gz	QLVFCBTWSCJGGX-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000000865095	506236840	/nfs/dbraw/zinc/23/68/40/506236840.db2.gz	BJVGXVRPAWUVCR-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)cc1OC	ZINC000000865095	506236846	/nfs/dbraw/zinc/23/68/46/506236846.db2.gz	BJVGXVRPAWUVCR-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(C(=O)NCc2ccc(N3CCCC3)[nH+]c2)cc1[N+](=O)[O-]	ZINC000012928247	506915824	/nfs/dbraw/zinc/91/58/24/506915824.db2.gz	RGFVANUWHBVYIB-UHFFFAOYSA-N	1	2	356.382	2.529	50	5		FFBALO
CCOc1ccc(C[N@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000022309791	207804654	/nfs/dbraw/zinc/80/46/54/207804654.db2.gz	NSJBFEHITWUTGM-UHFFFAOYSA-N	1	2	369.377	2.679	50	5		FFBALO
CCOc1ccc(C[N@@H+](C)CN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1	ZINC000022309791	207804660	/nfs/dbraw/zinc/80/46/60/207804660.db2.gz	NSJBFEHITWUTGM-UHFFFAOYSA-N	1	2	369.377	2.679	50	5		FFBALO
CCCc1nnc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)s1	ZINC000033245936	208076110	/nfs/dbraw/zinc/07/61/10/208076110.db2.gz	DESHPTLVVAKZQV-UHFFFAOYSA-N	1	2	358.383	2.837	50	5		FFBALO
Cn1cc[nH+]c1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1F	ZINC000018236575	507145929	/nfs/dbraw/zinc/14/59/29/507145929.db2.gz	BUOVZHWYFYGZGW-MRXNPFEDSA-N	1	2	354.341	2.987	50	5		FFBALO
COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)cc([N+](=O)[O-])c1O	ZINC000001227758	132381242	/nfs/dbraw/zinc/38/12/42/132381242.db2.gz	VAPMLYVQLOWTGR-UHFFFAOYSA-N	1	2	357.410	2.940	50	5		FFBALO
O=C(C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCCCCCC1	ZINC000057355158	136128707	/nfs/dbraw/zinc/12/87/07/136128707.db2.gz	MLBQKWJJSKHBOL-UHFFFAOYSA-N	1	2	360.458	2.510	50	5		FFBALO
COC(=O)c1cccc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1	ZINC000012547755	207391852	/nfs/dbraw/zinc/39/18/52/207391852.db2.gz	BZWGJXPKLMYNNY-UHFFFAOYSA-N	1	2	366.333	2.819	50	5		FFBALO
CN(C)c1ccc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc1[N+](=O)[O-]	ZINC000023735556	507369752	/nfs/dbraw/zinc/36/97/52/507369752.db2.gz	POFKZYPWLFRYJD-UHFFFAOYSA-N	1	2	374.466	2.680	50	5		FFBALO
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](C/C=C/c2ccccc2)CC1	ZINC000019536975	211231772	/nfs/dbraw/zinc/23/17/72/211231772.db2.gz	FHTCCXVIZMFBSW-QPJJXVBHSA-N	1	2	365.433	2.995	50	5		FFBALO
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000062580907	221140148	/nfs/dbraw/zinc/14/01/48/221140148.db2.gz	BRTBDCZMCJQSEH-NUTKFTJISA-N	1	2	358.398	2.708	50	5		FFBALO
COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000062580907	221140151	/nfs/dbraw/zinc/14/01/51/221140151.db2.gz	BRTBDCZMCJQSEH-NUTKFTJISA-N	1	2	358.398	2.708	50	5		FFBALO
Cc1cc(N2CC[NH+](Cc3cn4ccccc4n3)CC2)ccc1[N+](=O)[O-]	ZINC000051499444	136124129	/nfs/dbraw/zinc/12/41/29/136124129.db2.gz	HECISLAWTRDJMA-UHFFFAOYSA-N	1	2	351.410	2.873	50	5		FFBALO
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](c1ccsc1)[NH+](C)C	ZINC000046033665	507065889	/nfs/dbraw/zinc/06/58/89/507065889.db2.gz	NGXVFBIZRNBEIY-CQSZACIVSA-N	1	2	369.468	2.546	50	5		FFBALO
Cc1c(NC(=O)C[N@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-]	ZINC000016629149	220188670	/nfs/dbraw/zinc/18/86/70/220188670.db2.gz	IZRKMCDRNDRTCL-CQSZACIVSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1c(NC(=O)C[N@@H+](C)C[C@@H]2COc3ccccc3O2)cccc1[N+](=O)[O-]	ZINC000016629149	220188672	/nfs/dbraw/zinc/18/86/72/220188672.db2.gz	IZRKMCDRNDRTCL-CQSZACIVSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1	ZINC000016629021	220188827	/nfs/dbraw/zinc/18/88/27/220188827.db2.gz	DGBRYFZVVXWHCY-AWEZNQCLSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1ccc(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)c([N+](=O)[O-])c1	ZINC000016629021	220188830	/nfs/dbraw/zinc/18/88/30/220188830.db2.gz	DGBRYFZVVXWHCY-AWEZNQCLSA-N	1	2	371.393	2.614	50	5		FFBALO
O=[N+]([O-])c1ccc(NC[C@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1	ZINC000029625766	211515005	/nfs/dbraw/zinc/51/50/05/211515005.db2.gz	KEWAEMIWBRFVTD-OAHLLOKOSA-N	1	2	357.863	2.868	50	5		FFBALO
COc1ccc(C[NH+]2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc1OC	ZINC000001178834	210330809	/nfs/dbraw/zinc/33/08/09/210330809.db2.gz	LRQSBCVLDRWODQ-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(CN2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)cc1OC	ZINC000001178834	210330812	/nfs/dbraw/zinc/33/08/12/210330812.db2.gz	LRQSBCVLDRWODQ-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
O=C(C[NH+]1CCC([C@H](O)c2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000012745625	506893950	/nfs/dbraw/zinc/89/39/50/506893950.db2.gz	RBIAPBJCAPVDGO-HXUWFJFHSA-N	1	2	369.421	2.979	50	5		FFBALO
Cc1c(NC(=O)C[N@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-]	ZINC000016629151	220189265	/nfs/dbraw/zinc/18/92/65/220189265.db2.gz	IZRKMCDRNDRTCL-AWEZNQCLSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1c(NC(=O)C[N@@H+](C)C[C@H]2COc3ccccc3O2)cccc1[N+](=O)[O-]	ZINC000016629151	220189266	/nfs/dbraw/zinc/18/92/66/220189266.db2.gz	IZRKMCDRNDRTCL-AWEZNQCLSA-N	1	2	371.393	2.614	50	5		FFBALO
CNc1ccc([N+](=O)[O-])cc1C(=O)NCc1ccccc1Cn1cc[nH+]c1	ZINC000032902835	211571273	/nfs/dbraw/zinc/57/12/73/211571273.db2.gz	SGXVLKXKBWSBOV-UHFFFAOYSA-N	1	2	365.393	2.811	50	5		FFBALO
Cc1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-]	ZINC000013012392	211021300	/nfs/dbraw/zinc/02/13/00/211021300.db2.gz	LBQHNOACDHSBFA-LJQANCHMSA-N	1	2	369.421	2.707	50	5		FFBALO
COC(=O)c1cccc([N+](=O)[O-])c1C[NH+]1CCN(c2ccccc2)CC1	ZINC000059846816	536813344	/nfs/dbraw/zinc/81/33/44/536813344.db2.gz	ITZNCTTVIPOHOY-UHFFFAOYSA-N	1	2	355.394	2.704	50	5		FFBALO
O=C(Nc1cccc([N+](=O)[O-])c1)N[C@@H](C[NH+]1CCOCC1)c1ccccc1	ZINC000017743617	211187186	/nfs/dbraw/zinc/18/71/86/211187186.db2.gz	VCDWSEMBMCQXCZ-SFHVURJKSA-N	1	2	370.409	2.790	50	5		FFBALO
CC(C)NC(=O)c1ccc(NCc2cn3ccccc3[nH+]2)c([N+](=O)[O-])c1	ZINC000009156650	210818515	/nfs/dbraw/zinc/81/85/15/210818515.db2.gz	AWLKZLBFSHUTLP-UHFFFAOYSA-N	1	2	353.382	2.993	50	5		FFBALO
COc1ccc(OC)c(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000000865123	210282359	/nfs/dbraw/zinc/28/23/59/210282359.db2.gz	KJJAGWYTCOJMBK-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(OC)c(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000000865123	210282362	/nfs/dbraw/zinc/28/23/62/210282362.db2.gz	KJJAGWYTCOJMBK-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000057722458	136130052	/nfs/dbraw/zinc/13/00/52/136130052.db2.gz	GZNWYFRJXODHLJ-YESZJQIVSA-N	1	2	374.485	2.895	50	5		FFBALO
Cc1ccc(C(=O)N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1[N+](=O)[O-]	ZINC000012754109	506896468	/nfs/dbraw/zinc/89/64/68/506896468.db2.gz	HXFBLJSCNRFMHI-GOSISDBHSA-N	1	2	369.421	2.707	50	5		FFBALO
CN(C)C1=[NH+][C@@H]2Nc3ccccc3N(C)[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000013894519	506957198	/nfs/dbraw/zinc/95/71/98/506957198.db2.gz	PZFWIEROOQOKSF-KSZLIROESA-N	1	2	351.410	2.909	50	5		FFBALO
COc1ccccc1C(=O)N1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000019789908	220297320	/nfs/dbraw/zinc/29/73/20/220297320.db2.gz	AXRVKIGBKOINMK-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
CN(C)C1=[NH+][C@@H]2Nc3ccccc3N(C)[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1	ZINC000004663455	132387090	/nfs/dbraw/zinc/38/70/90/132387090.db2.gz	PZFWIEROOQOKSF-BZSNNMDCSA-N	1	2	351.410	2.909	50	5		FFBALO
O=C(NC1CCCC1)[C@H](c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCC1	ZINC000036067085	506394289	/nfs/dbraw/zinc/39/42/89/506394289.db2.gz	LFAVGASHZDCQGC-KRWDZBQOSA-N	1	2	361.398	2.519	50	5		FFBALO
Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000019841673	524714411	/nfs/dbraw/zinc/71/44/11/524714411.db2.gz	NJTFPTJRPPYYRZ-UHFFFAOYSA-N	1	2	369.421	2.626	50	5		FFBALO
O=C(NCCCCn1cc[nH+]c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1	ZINC000058202133	211994460	/nfs/dbraw/zinc/99/44/60/211994460.db2.gz	MIGDMJDSKUWOMA-UHFFFAOYSA-N	1	2	357.414	2.602	50	5		FFBALO
Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)ccc1[N+](=O)[O-]	ZINC000019683127	211245961	/nfs/dbraw/zinc/24/59/61/211245961.db2.gz	UXWWZIBEALPRCP-UHFFFAOYSA-N	1	2	355.394	2.988	50	5		FFBALO
COc1cc(C[NH+]2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1	ZINC000000865176	210282268	/nfs/dbraw/zinc/28/22/68/210282268.db2.gz	OUNPRFGKKREEDF-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1cc(CN2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc(OC)c1	ZINC000000865176	210282273	/nfs/dbraw/zinc/28/22/73/210282273.db2.gz	OUNPRFGKKREEDF-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
CCN(CC)c1ccc(Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c[nH+]1	ZINC000040153724	506475834	/nfs/dbraw/zinc/47/58/34/506475834.db2.gz	ZDMZHPTYDVYASP-UHFFFAOYSA-N	1	2	364.427	2.983	50	5		FFBALO
C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000024796409	507438344	/nfs/dbraw/zinc/43/83/44/507438344.db2.gz	ZIKRIZPVJWAUGF-IYBDPMFKSA-N	1	2	360.458	2.506	50	5		FFBALO
O=C(NCc1ccc(-n2cc[nH+]c2)nc1)c1ccc([N+](=O)[O-])cc1Cl	ZINC000031909690	507822282	/nfs/dbraw/zinc/82/22/82/507822282.db2.gz	MYDDVFLPWZKDEQ-UHFFFAOYSA-N	1	2	357.757	2.759	50	5		FFBALO
Cc1[nH+]c2cc(NS(=O)(=O)CCc3ccccc3[N+](=O)[O-])ccc2n1C	ZINC000089721619	507859413	/nfs/dbraw/zinc/85/94/13/507859413.db2.gz	BOWNUVSWCISZAL-UHFFFAOYSA-N	1	2	374.422	2.774	50	5		FFBALO
CSc1ccc(C(=O)N2CC[NH+](Cc3ccncc3)CC2)cc1[N+](=O)[O-]	ZINC000023800936	211397252	/nfs/dbraw/zinc/39/72/52/211397252.db2.gz	YGCWOOHYISTNTA-UHFFFAOYSA-N	1	2	372.450	2.670	50	5		FFBALO
Cc1c(NC(=O)c2ccc(C[NH+]3CCOCC3)cc2)cccc1[N+](=O)[O-]	ZINC000020363372	211277310	/nfs/dbraw/zinc/27/73/10/211277310.db2.gz	POPXVLNFILMSBX-UHFFFAOYSA-N	1	2	355.394	2.988	50	5		FFBALO
O=C(NC1CCCC1)[C@@H](c1cc2c(cc1[N+](=O)[O-])OCO2)[NH+]1CCCC1	ZINC000036067086	506394139	/nfs/dbraw/zinc/39/41/39/506394139.db2.gz	LFAVGASHZDCQGC-QGZVFWFLSA-N	1	2	361.398	2.519	50	5		FFBALO
O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(Cn2cc[nH+]c2)c1	ZINC000024753584	507434870	/nfs/dbraw/zinc/43/48/70/507434870.db2.gz	JCISFMTXLWJAGP-UHFFFAOYSA-N	1	2	350.378	2.699	50	5		FFBALO
O=[N+]([O-])c1ccc(NC[C@@]2([NH+]3CCOCC3)CCSC2)c(Cl)c1	ZINC000029625764	507784720	/nfs/dbraw/zinc/78/47/20/507784720.db2.gz	KEWAEMIWBRFVTD-HNNXBMFYSA-N	1	2	357.863	2.868	50	5		FFBALO
CCN(CC)c1ccc(CNC(=O)c2cc(C)cc([N+](=O)[O-])c2N)c[nH+]1	ZINC000075583728	508119627	/nfs/dbraw/zinc/11/96/27/508119627.db2.gz	FCODSSRQKCYPBT-UHFFFAOYSA-N	1	2	357.414	2.657	50	5		FFBALO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C[C@H]1COc2ccccc2O1	ZINC000016629064	220189286	/nfs/dbraw/zinc/18/92/86/220189286.db2.gz	CEAUWPWQLKZKKF-HNNXBMFYSA-N	1	2	371.393	2.614	50	5		FFBALO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C[C@H]1COc2ccccc2O1	ZINC000016629064	220189287	/nfs/dbraw/zinc/18/92/87/220189287.db2.gz	CEAUWPWQLKZKKF-HNNXBMFYSA-N	1	2	371.393	2.614	50	5		FFBALO
COc1ccccc1N1CC[NH+](Cc2cc(OC)c(O)c([N+](=O)[O-])c2)CC1	ZINC000001227665	132381342	/nfs/dbraw/zinc/38/13/42/132381342.db2.gz	GUOIGNFASCHGPM-UHFFFAOYSA-N	1	2	373.409	2.640	50	5		FFBALO
O=C(c1cccc(F)c1)N1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1	ZINC000036397106	506405936	/nfs/dbraw/zinc/40/59/36/506405936.db2.gz	RKDRNMNBDMFXQG-UHFFFAOYSA-N	1	2	373.384	2.571	50	5		FFBALO
COc1ccccc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1[nH+]ccn1C	ZINC000009319056	506690274	/nfs/dbraw/zinc/69/02/74/506690274.db2.gz	CZXDJCAODQHRPD-QGZVFWFLSA-N	1	2	366.377	2.856	50	5		FFBALO
COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc([N+](=O)[O-])c1O	ZINC000000875155	132379095	/nfs/dbraw/zinc/37/90/95/132379095.db2.gz	YGKREUFDRPZLAO-UHFFFAOYSA-N	1	2	361.373	2.770	50	5		FFBALO
COc1cccc(CNC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1	ZINC000009156689	506686024	/nfs/dbraw/zinc/68/60/24/506686024.db2.gz	XDOXAXOYSOHGQJ-UHFFFAOYSA-N	1	2	352.350	2.719	50	5		FFBALO
CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-]	ZINC000024820901	507440599	/nfs/dbraw/zinc/44/05/99/507440599.db2.gz	QVENDSXDCGCYLB-UHFFFAOYSA-N	1	2	371.393	2.827	50	5		FFBALO
CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)Cc1ccccc1[N+](=O)[O-]	ZINC000024820901	507440607	/nfs/dbraw/zinc/44/06/07/507440607.db2.gz	QVENDSXDCGCYLB-UHFFFAOYSA-N	1	2	371.393	2.827	50	5		FFBALO
COc1cc(OC)cc([C@@H](Nc2ncccc2[N+](=O)[O-])c2[nH+]ccn2C)c1	ZINC000028620307	507731325	/nfs/dbraw/zinc/73/13/25/507731325.db2.gz	AYHVBHLAEQJCMZ-MRXNPFEDSA-N	1	2	369.381	2.942	50	5		FFBALO
CC(=O)CC(C)(C)NC(=O)CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000095469908	508187601	/nfs/dbraw/zinc/18/76/01/508187601.db2.gz	ZORUYOXEFXEZTK-UHFFFAOYSA-N	1	2	369.849	2.944	50	5		FFBALO
CC(=O)CC(C)(C)NC(=O)CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl	ZINC000095469908	508187603	/nfs/dbraw/zinc/18/76/03/508187603.db2.gz	ZORUYOXEFXEZTK-UHFFFAOYSA-N	1	2	369.849	2.944	50	5		FFBALO
COc1ccc(CN2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	ZINC000000865094	219333375	/nfs/dbraw/zinc/33/33/75/219333375.db2.gz	VUMYGOSIHKJNFT-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1ccc(C[NH+]2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1	ZINC000000865094	219333378	/nfs/dbraw/zinc/33/33/78/219333378.db2.gz	VUMYGOSIHKJNFT-UHFFFAOYSA-N	1	2	371.437	2.930	50	5		FFBALO
COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc([N+](=O)[O-])c1O	ZINC000003879783	132385817	/nfs/dbraw/zinc/38/58/17/132385817.db2.gz	HZYCYCBMQOXHEC-UHFFFAOYSA-N	1	2	361.373	2.770	50	5		FFBALO
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1	ZINC000007050173	506529041	/nfs/dbraw/zinc/52/90/41/506529041.db2.gz	BHKMOWCNDZUTNE-ZDUSSCGKSA-N	1	2	372.406	2.820	50	5		FFBALO
Cn1cc[nH+]c1[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(F)c1	ZINC000009367242	506694064	/nfs/dbraw/zinc/69/40/64/506694064.db2.gz	NFOLPKLEDLMHRR-INIZCTEOSA-N	1	2	369.356	2.768	50	5		FFBALO
O=[N+]([O-])c1cccnc1NCc1ccc(N2CCCC[C@H]2CCO)[nH+]c1	ZINC000047253880	136122755	/nfs/dbraw/zinc/12/27/55/136122755.db2.gz	KOWVYTZJOIKDRE-HNNXBMFYSA-N	1	2	357.414	2.738	50	5		FFBALO
O=C(NC[C@@H](c1ccccc1)[NH+]1CCOCC1)Nc1ccccc1[N+](=O)[O-]	ZINC000032779501	506295700	/nfs/dbraw/zinc/29/57/00/506295700.db2.gz	VDZZRAIYNHEZEC-SFHVURJKSA-N	1	2	370.409	2.790	50	5		FFBALO
C[NH+](C)[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccs1	ZINC000033012142	506325065	/nfs/dbraw/zinc/32/50/65/506325065.db2.gz	SMOAPABBSQMGMS-CQSZACIVSA-N	1	2	369.468	2.775	50	5		FFBALO
COc1cccc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)c2[nH+]ccn2C)c1	ZINC000008719933	219867560	/nfs/dbraw/zinc/86/75/60/219867560.db2.gz	UMQOUODXEOYPFC-KRWDZBQOSA-N	1	2	366.377	2.856	50	5		FFBALO
Cc1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCOCC2)ccc1[N+](=O)[O-]	ZINC000013012393	220053727	/nfs/dbraw/zinc/05/37/27/220053727.db2.gz	LBQHNOACDHSBFA-IBGZPJMESA-N	1	2	369.421	2.707	50	5		FFBALO
COc1ccc([N+](=O)[O-])cc1C(=O)N1CC[NH+](Cc2ccccc2)CC1	ZINC000019801769	220298654	/nfs/dbraw/zinc/29/86/54/220298654.db2.gz	SBAHYSSAAWFZNI-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000062580910	221140554	/nfs/dbraw/zinc/14/05/54/221140554.db2.gz	BRTBDCZMCJQSEH-PVUWLOKVSA-N	1	2	358.398	2.708	50	5		FFBALO
COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000062580910	221140555	/nfs/dbraw/zinc/14/05/55/221140555.db2.gz	BRTBDCZMCJQSEH-PVUWLOKVSA-N	1	2	358.398	2.708	50	5		FFBALO
Cc1cccn2cc(CNC(=O)c3cc([N+](=O)[O-])ccc3N(C)C)[nH+]c12	ZINC000078596529	571212455	/nfs/dbraw/zinc/21/24/55/571212455.db2.gz	ZWPCGWUILWIGMK-UHFFFAOYSA-N	1	2	353.382	2.547	50	5		FFBALO
Cc1nc(NCCCn2cc[nH+]c2)nc(NCc2ccco2)c1[N+](=O)[O-]	ZINC000056905991	221082237	/nfs/dbraw/zinc/08/22/37/221082237.db2.gz	YNTAOLHFISPDOO-UHFFFAOYSA-N	1	2	357.374	2.597	50	5		FFBALO
COc1ccc([N+](=O)[O-])cc1C(=O)NCCn1c(C)[nH+]c2ccccc21	ZINC000008135700	506625302	/nfs/dbraw/zinc/62/53/02/506625302.db2.gz	IAHYQEXHAAZERQ-UHFFFAOYSA-N	1	2	354.366	2.692	50	5		FFBALO
COc1ccc(C[NH+]2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1	ZINC000024118269	507394676	/nfs/dbraw/zinc/39/46/76/507394676.db2.gz	VFBXHOXXKPRHQN-UHFFFAOYSA-N	1	2	355.394	2.561	50	5		FFBALO
COC(=O)C1CC[NH+]([C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1	ZINC000015413020	220154118	/nfs/dbraw/zinc/15/41/18/220154118.db2.gz	PIXUGZRHZKHPMJ-LLVKDONJSA-N	1	2	360.370	2.591	50	5		FFBALO
COC(=O)c1cc(C(=O)OCc2cn3cccc(C)c3[nH+]2)cc([N+](=O)[O-])c1	ZINC000016209911	220179786	/nfs/dbraw/zinc/17/97/86/220179786.db2.gz	HIHFODAWWOBRLW-UHFFFAOYSA-N	1	2	369.333	2.695	50	5		FFBALO
Cc1ccc(C(=O)N2CC[NH+](CCc3ccc([N+](=O)[O-])cc3)CC2)cc1	ZINC000052752467	221038762	/nfs/dbraw/zinc/03/87/62/221038762.db2.gz	KGZFLXQJLFXVJM-UHFFFAOYSA-N	1	2	353.422	2.904	50	5		FFBALO
COc1ccccc1N1CC[NH+](Cc2cc3c(cc2[N+](=O)[O-])OCO3)CC1	ZINC000055543279	136127060	/nfs/dbraw/zinc/12/70/60/136127060.db2.gz	ZTEIYXMVCAZBAL-UHFFFAOYSA-N	1	2	371.393	2.654	50	5		FFBALO
O=C(Cn1c2ccccc2[nH+]c1NCCCO)c1ccc([N+](=O)[O-])cc1	ZINC000002901809	506301985	/nfs/dbraw/zinc/30/19/85/506301985.db2.gz	GFEKXGKKHDYWBS-UHFFFAOYSA-N	1	2	354.366	2.622	50	5		FFBALO
COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc([N+](=O)[O-])c1O	ZINC000004990256	506412305	/nfs/dbraw/zinc/41/23/05/506412305.db2.gz	BAWFPBYPEYZPAI-UHFFFAOYSA-N	1	2	374.393	2.885	50	5		FFBALO
COc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc([N+](=O)[O-])c1O	ZINC000004990256	506412313	/nfs/dbraw/zinc/41/23/13/506412313.db2.gz	BAWFPBYPEYZPAI-UHFFFAOYSA-N	1	2	374.393	2.885	50	5		FFBALO
O=[N+]([O-])c1ccccc1N1CC[NH+](Cc2cc(F)cc3c2OCOC3)CC1	ZINC000012635524	506887998	/nfs/dbraw/zinc/88/79/98/506887998.db2.gz	DWBHTSBNBVVYNM-UHFFFAOYSA-N	1	2	373.384	2.923	50	5		FFBALO
Cc1cc(N2CCN(c3ncccn3)CC2)[nH+]c2ccc([N+](=O)[O-])cc12	ZINC000020104180	507211155	/nfs/dbraw/zinc/21/11/55/507211155.db2.gz	CEDGMJITDCEYOW-UHFFFAOYSA-N	1	2	350.382	2.568	50	5		FFBALO
Cc1ccc([C@@H](C[NH+]2CCOCC2)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1	ZINC000024684697	507429497	/nfs/dbraw/zinc/42/94/97/507429497.db2.gz	SLXSFRVZCMGNGM-LJQANCHMSA-N	1	2	369.421	2.707	50	5		FFBALO
O=[N+]([O-])c1c(NC[C@H](c2ccccc2)[NH+]2CCOCC2)nc2ccccn21	ZINC000029525991	507781396	/nfs/dbraw/zinc/78/13/96/507781396.db2.gz	MWVQZDVKVIMQHC-MRXNPFEDSA-N	1	2	367.409	2.728	50	5		FFBALO
Cc1nnc(SCC(=O)Nc2c3ccccc3[nH+]c3ccccc32)n1C	ZINC000019851624	220302306	/nfs/dbraw/zinc/30/23/06/220302306.db2.gz	SJEWMNVTFUQJEK-UHFFFAOYSA-N	1	2	363.446	2.978	50	5		FFBALO
C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000057722462	136129952	/nfs/dbraw/zinc/12/99/52/136129952.db2.gz	GZNWYFRJXODHLJ-BRWVUGGUSA-N	1	2	374.485	2.895	50	5		FFBALO
O=[N+]([O-])c1ccc(N2CC[NH+](Cc3nc4ccccc4s3)CC2)cn1	ZINC000023466450	136152890	/nfs/dbraw/zinc/15/28/90/136152890.db2.gz	OZABYZOSCZHHBI-UHFFFAOYSA-N	1	2	355.423	2.922	50	5		FFBALO
O=C(COc1cccc([N+](=O)[O-])c1)Nc1cccc(Cn2cc[nH+]c2)c1	ZINC000025181020	507472347	/nfs/dbraw/zinc/47/23/47/507472347.db2.gz	ZKBWBPSZFYUPEC-UHFFFAOYSA-N	1	2	352.350	2.857	50	5		FFBALO
COc1cccc(N2CC[C@H](C[NH2+]Cc3cc(O)ccc3[N+](=O)[O-])C2)c1	ZINC000079046040	507927753	/nfs/dbraw/zinc/92/77/53/507927753.db2.gz	DEECICJYKMMRAY-CQSZACIVSA-N	1	2	357.410	2.925	50	5		FFBALO
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000245224694	509885113	/nfs/dbraw/zinc/88/51/13/509885113.db2.gz	BRTBDCZMCJQSEH-VMGRFDJRSA-N	1	2	358.398	2.708	50	5		FFBALO
COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21	ZINC000245224694	509885118	/nfs/dbraw/zinc/88/51/18/509885118.db2.gz	BRTBDCZMCJQSEH-VMGRFDJRSA-N	1	2	358.398	2.708	50	5		FFBALO
C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000104887736	570864128	/nfs/dbraw/zinc/86/41/28/570864128.db2.gz	GZNWYFRJXODHLJ-BBWFWOEESA-N	1	2	374.485	2.895	50	5		FFBALO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)Cc1ccc2c(c1)OCO2	ZINC000019541897	220267889	/nfs/dbraw/zinc/26/78/89/220267889.db2.gz	KOIXCCVBSSMFBZ-UHFFFAOYSA-N	1	2	357.366	2.702	50	5		FFBALO
Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)Cc1ccc2c(c1)OCO2	ZINC000019541897	220267894	/nfs/dbraw/zinc/26/78/94/220267894.db2.gz	KOIXCCVBSSMFBZ-UHFFFAOYSA-N	1	2	357.366	2.702	50	5		FFBALO
CC(C)c1onc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1[N+](=O)[O-]	ZINC000020285405	220319848	/nfs/dbraw/zinc/31/98/48/220319848.db2.gz	LANGVIPZIQGPJB-UHFFFAOYSA-N	1	2	358.398	2.664	50	5		FFBALO
Cc1cc(N2CCC3(CC2)OCCO3)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1	ZINC000054389817	136125514	/nfs/dbraw/zinc/12/55/14/136125514.db2.gz	VVPNSBKBMRJFLE-UHFFFAOYSA-N	1	2	356.382	2.704	50	5		FFBALO
COc1cccc(C[NH+]2CCN(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1	ZINC000020274201	525942760	/nfs/dbraw/zinc/94/27/60/525942760.db2.gz	IVVOJLJNYYBAOM-UHFFFAOYSA-N	1	2	370.409	2.953	50	5		FFBALO