smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
CN1CC[NH+](Cc2ccccc2CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000032916245	523910690	/nfs/dbraw/zinc/91/06/90/523910690.db2.gz	FSMMYNKXPLOAPR-UHFFFAOYSA-N	1	1	408.424	3.973	50	5		HHBAMO
CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1	ZINC000004554047	558721270	/nfs/dbraw/zinc/72/12/70/558721270.db2.gz	YAQFDGRMMIEVQF-KRWDZBQOSA-N	1	1	416.459	3.580	50	5		HHBAMO
O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCn2c(c[nH+]c2C2CCCCC2)C1	ZINC000095993049	568678095	/nfs/dbraw/zinc/67/80/95/568678095.db2.gz	GNQDZQJPKXFBOY-QGZVFWFLSA-N	1	1	411.506	3.630	50	5		HHBAMO
Cc1[nH+]ccn1-c1ccc([C@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	ZINC000079046648	569425327	/nfs/dbraw/zinc/42/53/27/569425327.db2.gz	XGWXNVQVSAOZKP-ZDUSSCGKSA-N	1	1	400.460	3.666	50	5		HHBAMO
COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1[N+](=O)[O-]	ZINC000006616572	569074663	/nfs/dbraw/zinc/07/46/63/569074663.db2.gz	LVYKFFZIJMIJCV-QGZVFWFLSA-N	1	1	402.476	3.860	50	5		HHBAMO
Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2S(=O)(=O)c1c(C)c(C)ccc1[N+](=O)[O-]	ZINC000225465709	569398913	/nfs/dbraw/zinc/39/89/13/569398913.db2.gz	WDNFPKPTRNEXSP-MJGOQNOKSA-N	1	1	415.515	3.517	50	5		HHBAMO
Cc1[nH+]ccn1-c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCC(C)CC2)cn1	ZINC000069697054	571239430	/nfs/dbraw/zinc/23/94/30/571239430.db2.gz	LCPVPPFUYOZTFY-UHFFFAOYSA-N	1	1	420.473	3.973	50	5		HHBAMO
C[NH+]1CCN(c2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1	ZINC000012737540	132366397	/nfs/dbraw/zinc/36/63/97/132366397.db2.gz	WGNKOOSBVPZEMS-UHFFFAOYSA-N	1	1	423.300	3.583	50	5		HHBAMO
COc1ccc(CC[N@@H+](C)[C@@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC	ZINC000032753304	523941034	/nfs/dbraw/zinc/94/10/34/523941034.db2.gz	GKJWMRSIMPNCAF-AWEZNQCLSA-N	1	1	412.446	3.898	50	5		HHBAMO
Brc1ccc2c(c1)c1nc3ccccc3nc1n2CC[NH+]1CCOCC1	ZINC000020351000	558356499	/nfs/dbraw/zinc/35/64/99/558356499.db2.gz	PHYZEZSWRYSPLZ-UHFFFAOYSA-N	1	1	411.303	3.832	50	5		HHBAMO
C[NH+](C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(F)c1	ZINC000012794797	558467884	/nfs/dbraw/zinc/46/78/84/558467884.db2.gz	DKWBWXKSTYZRNG-HSZRJFAPSA-N	1	1	417.484	3.713	50	5		HHBAMO
O=C(C[NH+]1CCC(Nc2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccccc1	ZINC000023617481	559178192	/nfs/dbraw/zinc/17/81/92/559178192.db2.gz	IPJQMAFSUDDEJJ-UHFFFAOYSA-N	1	1	405.458	3.658	50	5		HHBAMO
Cc1cccc([N+](=O)[O-])c1NC(=O)CN1CC[NH+](Cc2csc3ccccc23)CC1	ZINC000012935077	569026285	/nfs/dbraw/zinc/02/62/85/569026285.db2.gz	VJFAAGHVFYUCKV-UHFFFAOYSA-N	1	1	424.526	3.874	50	5		HHBAMO
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@@H](c1ccco1)[NH+]1CCCC1	ZINC000024828884	558614336	/nfs/dbraw/zinc/61/43/36/558614336.db2.gz	ZTKHTQBQKCUGBU-QFIPXVFZSA-N	1	1	415.493	3.701	50	5		HHBAMO
C[C@@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1	ZINC000023389754	559173621	/nfs/dbraw/zinc/17/36/21/559173621.db2.gz	BVVGIYYPRHOYME-VQIMIIECSA-N	1	1	419.909	3.509	50	5		HHBAMO
NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CNc3cc(Cl)ccc3[N+](=O)[O-])c2)C1	ZINC000225820255	568782451	/nfs/dbraw/zinc/78/24/51/568782451.db2.gz	PVQVFWHBGHGOAX-INIZCTEOSA-N	1	1	402.882	3.558	50	5		HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(Br)cc1	ZINC000003345713	568884405	/nfs/dbraw/zinc/88/44/05/568884405.db2.gz	GCUDQZSGWUAONU-GFCCVEGCSA-N	1	1	422.279	3.825	50	5	aggregator	HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(Br)cc1	ZINC000003345713	568884407	/nfs/dbraw/zinc/88/44/07/568884407.db2.gz	GCUDQZSGWUAONU-GFCCVEGCSA-N	1	1	422.279	3.825	50	5	aggregator	HHBAMO
CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1	ZINC000058452247	568919783	/nfs/dbraw/zinc/91/97/83/568919783.db2.gz	RXCMFFPVYYZAAL-AWEZNQCLSA-N	1	1	424.400	3.867	50	5		HHBAMO
CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@H]1COc2ccccc2O1	ZINC000058452247	568919785	/nfs/dbraw/zinc/91/97/85/568919785.db2.gz	RXCMFFPVYYZAAL-AWEZNQCLSA-N	1	1	424.400	3.867	50	5		HHBAMO
C[C@H]1C[C@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000012750181	568937713	/nfs/dbraw/zinc/93/77/13/568937713.db2.gz	BXNGOXDMMSWDKD-KBPBESRZSA-N	1	1	404.492	3.547	50	5		HHBAMO
COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC	ZINC000239432935	569233897	/nfs/dbraw/zinc/23/38/97/569233897.db2.gz	WXZMFLDJLUMIIC-PGRDOPGGSA-N	1	1	403.523	3.841	50	5		HHBAMO
C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000170591394	569240601	/nfs/dbraw/zinc/24/06/01/569240601.db2.gz	HHZJHHFVAZCACV-NSHDSACASA-N	1	1	402.289	3.702	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000106798140	560893900	/nfs/dbraw/zinc/89/39/00/560893900.db2.gz	KMSCVPWMRKCWEN-NRFANRHFSA-N	1	1	420.513	3.773	50	5		HHBAMO
COC[C@H](C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012550387	568852927	/nfs/dbraw/zinc/85/29/27/568852927.db2.gz	AFBDSHDREGUSBY-YVEFUNNKSA-N	1	1	422.279	3.662	50	5		HHBAMO
COC[C@@H](C)[NH2+][C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012550384	568852934	/nfs/dbraw/zinc/85/29/34/568852934.db2.gz	AFBDSHDREGUSBY-SJKOYZFVSA-N	1	1	422.279	3.662	50	5		HHBAMO
C[C@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2csc3ccccc23)CC1	ZINC000012792304	569403541	/nfs/dbraw/zinc/40/35/41/569403541.db2.gz	JWVLABLMPQQZFN-MRXNPFEDSA-N	1	1	424.526	3.954	50	5		HHBAMO
O=C(Cn1c2ccccc2c(=O)c2ccccc21)NC[C@H](c1ccco1)[NH+]1CCCC1	ZINC000024828881	558614048	/nfs/dbraw/zinc/61/40/48/558614048.db2.gz	ZTKHTQBQKCUGBU-JOCHJYFZSA-N	1	1	415.493	3.701	50	5		HHBAMO
O=C(Nc1ccc(N2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])CC2)nc1)C1CCCC1	ZINC000034681735	568733716	/nfs/dbraw/zinc/73/37/16/568733716.db2.gz	NKPGRYCJBASIIC-UHFFFAOYSA-N	1	1	423.517	3.831	50	5		HHBAMO
O=c1cc(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2cc3c(cc2o1)CCC3	ZINC000057571675	568854072	/nfs/dbraw/zinc/85/40/72/568854072.db2.gz	VTDKILJQXUWDDH-UHFFFAOYSA-N	1	1	405.454	3.512	50	5		HHBAMO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2Cl)CC1	ZINC000004998767	132298057	/nfs/dbraw/zinc/29/80/57/132298057.db2.gz	QNBQSKYUXUNVEY-UHFFFAOYSA-N	1	1	418.881	3.651	50	5		HHBAMO
CC[NH+]1CCN(C(=O)c2ccc(SCc3ccccc3F)c([N+](=O)[O-])c2)CC1	ZINC000004660182	558873508	/nfs/dbraw/zinc/87/35/08/558873508.db2.gz	WWZUMEMWIYNQHF-UHFFFAOYSA-N	1	1	403.479	3.804	50	5		HHBAMO
COc1cc2c(cc1OC)C1(CCCC1)C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000004964919	559217429	/nfs/dbraw/zinc/21/74/29/559217429.db2.gz	LPZFXWUAMOVUAH-HXUWFJFHSA-N	1	1	412.486	3.973	50	5		HHBAMO
COc1ccc(-c2ccc(C[NH+]3CCN(Cc4cccnc4)CC3)o2)c([N+](=O)[O-])c1	ZINC000095468617	568625226	/nfs/dbraw/zinc/62/52/26/568625226.db2.gz	PAAOKMIRMGTMAK-UHFFFAOYSA-N	1	1	408.458	3.576	50	5		HHBAMO
COC[C@H](C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012550391	568852913	/nfs/dbraw/zinc/85/29/13/568852913.db2.gz	AFBDSHDREGUSBY-SJCJKPOMSA-N	1	1	422.279	3.662	50	5		HHBAMO
O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F	ZINC000225407222	569393904	/nfs/dbraw/zinc/39/39/04/569393904.db2.gz	NICAHBUCGUENLF-OALUTQOASA-N	1	1	421.419	3.564	50	5		HHBAMO
CCOc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000012796768	569403548	/nfs/dbraw/zinc/40/35/48/569403548.db2.gz	MCNLYGJYXFEUHH-KRWDZBQOSA-N	1	1	421.881	3.688	50	5		HHBAMO
Cn1c(/C=C/C=C/C[NH+]2CCN(Cc3ccccc3)CC2)nc2ccc([N+](=O)[O-])cc21	ZINC000004754950	559048683	/nfs/dbraw/zinc/04/86/83/559048683.db2.gz	GQYDQBSDOPYKIF-ASVGJQBISA-N	1	1	417.513	3.869	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)CC1	ZINC000096276539	568715353	/nfs/dbraw/zinc/71/53/53/568715353.db2.gz	MLAWVPBLUARDOL-LJQANCHMSA-N	1	1	424.476	3.901	50	5		HHBAMO
CCOc1ccc(C[N@H+](CC)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC	ZINC000022474700	568768558	/nfs/dbraw/zinc/76/85/58/568768558.db2.gz	HMRIMCCYUCVPME-UHFFFAOYSA-N	1	1	402.447	3.891	50	5		HHBAMO
CCOc1ccc(C[N@@H+](CC)Cc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC	ZINC000022474700	568768560	/nfs/dbraw/zinc/76/85/60/568768560.db2.gz	HMRIMCCYUCVPME-UHFFFAOYSA-N	1	1	402.447	3.891	50	5		HHBAMO
CN(C(=O)C[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1	ZINC000012788867	569403375	/nfs/dbraw/zinc/40/33/75/569403375.db2.gz	FOLRFEDHRKEBJM-IBGZPJMESA-N	1	1	411.458	3.556	50	5		HHBAMO
CN(C(=O)C[N@H+]1CCC[C@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1	ZINC000012788867	569403377	/nfs/dbraw/zinc/40/33/77/569403377.db2.gz	FOLRFEDHRKEBJM-IBGZPJMESA-N	1	1	411.458	3.556	50	5		HHBAMO
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1	ZINC000032906152	527037925	/nfs/dbraw/zinc/03/79/25/527037925.db2.gz	UQFZQNBRUREHQI-UHFFFAOYSA-N	1	1	403.479	3.561	50	5		HHBAMO
O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1	ZINC000032906152	527037931	/nfs/dbraw/zinc/03/79/31/527037931.db2.gz	UQFZQNBRUREHQI-UHFFFAOYSA-N	1	1	403.479	3.561	50	5		HHBAMO
CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cc4c(cc2[N+](=O)[O-])OCO4)N3)C1	ZINC000004554049	558721297	/nfs/dbraw/zinc/72/12/97/558721297.db2.gz	YAQFDGRMMIEVQF-QGZVFWFLSA-N	1	1	416.459	3.580	50	5		HHBAMO
C[C@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1	ZINC000023389752	559173626	/nfs/dbraw/zinc/17/36/26/559173626.db2.gz	BVVGIYYPRHOYME-LPHOPBHVSA-N	1	1	419.909	3.509	50	5		HHBAMO
O=C(NCCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F	ZINC000225407185	569393879	/nfs/dbraw/zinc/39/38/79/569393879.db2.gz	NICAHBUCGUENLF-MOPGFXCFSA-N	1	1	421.419	3.564	50	5		HHBAMO
CCOc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)c([N+](=O)[O-])cc1OC	ZINC000012796764	569403480	/nfs/dbraw/zinc/40/34/80/569403480.db2.gz	MCNLYGJYXFEUHH-QGZVFWFLSA-N	1	1	421.881	3.688	50	5		HHBAMO
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000225494046	970106727	/nfs/dbraw/zinc/10/67/27/970106727.db2.gz	RHJXFEDGASQVJP-LCCNJJIFSA-N	1	1	417.469	3.890	50	5		HHBAMO
C[C@H](OC[C@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1	ZINC000023389756	559173653	/nfs/dbraw/zinc/17/36/53/559173653.db2.gz	BVVGIYYPRHOYME-QFBILLFUSA-N	1	1	419.909	3.509	50	5		HHBAMO
Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2ccc([N+](=O)[O-])cc2)CC1	ZINC000058021466	568878123	/nfs/dbraw/zinc/87/81/23/568878123.db2.gz	PVJXGDUGJIFOTF-UHFFFAOYSA-N	1	1	417.897	3.500	50	5		HHBAMO
C[NH+](C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccc(F)c1	ZINC000012794789	558467925	/nfs/dbraw/zinc/46/79/25/558467925.db2.gz	DKWBWXKSTYZRNG-QHCPKHFHSA-N	1	1	417.484	3.713	50	5		HHBAMO
C[C@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC000048342713	568440649	/nfs/dbraw/zinc/44/06/49/568440649.db2.gz	SCZYEMGHOGMKPI-CQSZACIVSA-N	1	1	421.419	3.719	50	5		HHBAMO
C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000095469107	568625574	/nfs/dbraw/zinc/62/55/74/568625574.db2.gz	MAFWESMCPSZSAX-MJGOQNOKSA-N	1	1	414.550	3.580	50	5		HHBAMO
C[C@@H](C(=O)Nc1ccccc1[N+](=O)[O-])N1CC[NH+](Cc2csc3ccccc23)CC1	ZINC000012792309	569403564	/nfs/dbraw/zinc/40/35/64/569403564.db2.gz	JWVLABLMPQQZFN-INIZCTEOSA-N	1	1	424.526	3.954	50	5		HHBAMO
COc1ccc(C(=O)Nc2nc(C[NH+]3CCCCC3)nc3ccccc32)cc1[N+](=O)[O-]	ZINC000011164808	558900220	/nfs/dbraw/zinc/90/02/20/558900220.db2.gz	VQTLTMHKWLYEDG-UHFFFAOYSA-N	1	1	421.457	3.785	50	5		HHBAMO
Cc1ccc(Cl)cc1N1CC[NH+](CCNC(=O)Nc2ccccc2[N+](=O)[O-])CC1	ZINC000058021485	568878082	/nfs/dbraw/zinc/87/80/82/568878082.db2.gz	ARRWSMMHYFNQKD-UHFFFAOYSA-N	1	1	417.897	3.500	50	5		HHBAMO
C[NH+](C)[C@@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000008024113	568969008	/nfs/dbraw/zinc/96/90/08/568969008.db2.gz	DKEWRDNPELJZFE-IBGZPJMESA-N	1	1	402.882	3.855	50	5		HHBAMO
C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000095469105	568625244	/nfs/dbraw/zinc/62/52/44/568625244.db2.gz	MAFWESMCPSZSAX-IEBWSBKVSA-N	1	1	414.550	3.580	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@@H](c2c[nH]c3ccccc32)c2ccccc2[N+](=O)[O-])CC1	ZINC000096276610	568715303	/nfs/dbraw/zinc/71/53/03/568715303.db2.gz	IHOSDZQQRAYSPQ-LJQANCHMSA-N	1	1	406.486	3.762	50	5		HHBAMO
COc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)C[NH+]2CCCCC2)cc1	ZINC000058268830	568907176	/nfs/dbraw/zinc/90/71/76/568907176.db2.gz	DQHKRLDUZOFVNP-QFIPXVFZSA-N	1	1	422.485	3.767	50	5		HHBAMO
CN1CCN(CCC[NH2+]Cc2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])cc2)CC1	ZINC000023762963	559180979	/nfs/dbraw/zinc/18/09/79/559180979.db2.gz	ISECKWZAVCFGTL-UHFFFAOYSA-N	1	1	418.925	3.768	50	5		HHBAMO
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1)c1ccc([N+](=O)[O-])o1	ZINC000057287620	568825761	/nfs/dbraw/zinc/82/57/61/568825761.db2.gz	RLRNEVMQEBHGGA-UHFFFAOYSA-N	1	1	424.432	3.901	50	5		HHBAMO
O=C(C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-]	ZINC000012869618	569012456	/nfs/dbraw/zinc/01/24/56/569012456.db2.gz	DGQPWVIODIIRKT-UHFFFAOYSA-N	1	1	415.421	3.846	50	5		HHBAMO
COc1ccc(N(C(C)=O)C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)cc1OC	ZINC000037559617	569306824	/nfs/dbraw/zinc/30/68/24/569306824.db2.gz	XSVRFCGSEGBCMR-UHFFFAOYSA-N	1	1	413.474	3.630	50	5		HHBAMO
C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CCc2ccccc21	ZINC000029482296	522510376	/nfs/dbraw/zinc/51/03/76/522510376.db2.gz	CZYZEZYWRCYDJZ-QGZVFWFLSA-N	1	1	404.264	3.915	50	5		HHBAMO
COc1cc(NC(=O)C[N@H+](C)Cc2ccc(OC(F)F)cc2)c(C)cc1[N+](=O)[O-]	ZINC000006051356	568987934	/nfs/dbraw/zinc/98/79/34/568987934.db2.gz	LTXYUHYMXSNDEQ-UHFFFAOYSA-N	1	1	409.389	3.584	50	5		HHBAMO
COc1cc(NC(=O)C[N@@H+](C)Cc2ccc(OC(F)F)cc2)c(C)cc1[N+](=O)[O-]	ZINC000006051356	568987937	/nfs/dbraw/zinc/98/79/37/568987937.db2.gz	LTXYUHYMXSNDEQ-UHFFFAOYSA-N	1	1	409.389	3.584	50	5		HHBAMO
COc1ccc(CC[N@@H+](C)[C@H](C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC	ZINC000032753305	523941024	/nfs/dbraw/zinc/94/10/24/523941024.db2.gz	GKJWMRSIMPNCAF-CQSZACIVSA-N	1	1	412.446	3.898	50	5		HHBAMO
C[NH+](C)[C@@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1	ZINC000024926754	558621000	/nfs/dbraw/zinc/62/10/00/558621000.db2.gz	FJWACMSCEIYMRK-FQEVSTJZSA-N	1	1	405.523	3.635	50	5		HHBAMO
O=C(C[N@H+](CCCO)[C@@H]1CCCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000072308760	558771337	/nfs/dbraw/zinc/77/13/37/558771337.db2.gz	GTCFWRQJIDYMBF-LJQANCHMSA-N	1	1	417.893	3.949	50	5		HHBAMO
O=c1c2ccccc2nc2c3ccccc3c(N3CC[NH+](Cc4ccccc4)CC3)nn12	ZINC000085378490	559056631	/nfs/dbraw/zinc/05/66/31/559056631.db2.gz	KGFWADMIPXXLRM-UHFFFAOYSA-N	1	1	421.504	3.718	50	5		HHBAMO
COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC	ZINC000007006555	569199486	/nfs/dbraw/zinc/19/94/86/569199486.db2.gz	WIHHAAMSUSMUNX-GFCCVEGCSA-N	1	1	407.854	3.724	50	5		HHBAMO
COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC	ZINC000007006555	569199487	/nfs/dbraw/zinc/19/94/87/569199487.db2.gz	WIHHAAMSUSMUNX-GFCCVEGCSA-N	1	1	407.854	3.724	50	5		HHBAMO
C[N@@H+](CCc1cccc(NC(=O)/C=C/c2cc([N+](=O)[O-])cc3c2OCOC3)c1)C1CC1	ZINC000095460074	969040142	/nfs/dbraw/zinc/04/01/42/969040142.db2.gz	NUFGIBRWDFWSQI-VMPITWQZSA-N	1	1	423.469	3.750	50	5		HHBAMO
O=C(NCCNc1ccc([N+](=O)[O-])cc1)[C@H]1CCn2c(c[nH+]c2C2CCCCC2)C1	ZINC000095993050	568678064	/nfs/dbraw/zinc/67/80/64/568678064.db2.gz	GNQDZQJPKXFBOY-KRWDZBQOSA-N	1	1	411.506	3.630	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2cccc([N+](=O)[O-])c2)CC1	ZINC000096276364	568715361	/nfs/dbraw/zinc/71/53/61/568715361.db2.gz	CDVKDHKRYPHCSQ-OAQYLSRUSA-N	1	1	420.513	3.773	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@H](c2cn(C)c3ccccc23)c2cccc([N+](=O)[O-])c2)CC1	ZINC000096276363	568715427	/nfs/dbraw/zinc/71/54/27/568715427.db2.gz	CDVKDHKRYPHCSQ-NRFANRHFSA-N	1	1	420.513	3.773	50	5		HHBAMO
CC[N@@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1	ZINC000058452245	568919795	/nfs/dbraw/zinc/91/97/95/568919795.db2.gz	RXCMFFPVYYZAAL-CQSZACIVSA-N	1	1	424.400	3.867	50	5		HHBAMO
CC[N@H+](Cc1cc(OC)c(OC(F)F)cc1[N+](=O)[O-])C[C@@H]1COc2ccccc2O1	ZINC000058452245	568919797	/nfs/dbraw/zinc/91/97/97/568919797.db2.gz	RXCMFFPVYYZAAL-CQSZACIVSA-N	1	1	424.400	3.867	50	5		HHBAMO
CCCc1noc(-c2ccc(N3CC[NH+](Cc4ccccc4)CC3)c([N+](=O)[O-])c2)n1	ZINC000015833858	569012757	/nfs/dbraw/zinc/01/27/57/569012757.db2.gz	PYQMNDLVHOCRPM-UHFFFAOYSA-N	1	1	407.474	3.920	50	5		HHBAMO
C[C@@H]1C[N@H+](C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000040135258	571188275	/nfs/dbraw/zinc/18/82/75/571188275.db2.gz	DVNPVGXNKBKSGO-HDICACEKSA-N	1	1	423.513	3.904	50	5		HHBAMO
C[C@@H]1C[N@@H+](C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000040135258	571188277	/nfs/dbraw/zinc/18/82/77/571188277.db2.gz	DVNPVGXNKBKSGO-HDICACEKSA-N	1	1	423.513	3.904	50	5		HHBAMO
C[N@@H+](CCc1cccc(NC(=O)/C=C\c2cc([N+](=O)[O-])cc3c2OCOC3)c1)C1CC1	ZINC000222124480	970101653	/nfs/dbraw/zinc/10/16/53/970101653.db2.gz	NUFGIBRWDFWSQI-YVMONPNESA-N	1	1	423.469	3.750	50	5		HHBAMO
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2Cl)CC1	ZINC000004998638	132298106	/nfs/dbraw/zinc/29/81/06/132298106.db2.gz	CMKQIXCMQLXGBG-UHFFFAOYSA-N	1	1	402.882	3.951	50	5		HHBAMO
C[N@@H+](CCCNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Cc1ccccc1	ZINC000024471026	558598604	/nfs/dbraw/zinc/59/86/04/558598604.db2.gz	IGCLSZIGQJTUCJ-UHFFFAOYSA-N	1	1	413.521	3.793	50	5		HHBAMO
Cc1c(C[N@H+]2CCCN(Cc3cn4cc(Cl)ccc4n3)CC2)cccc1[N+](=O)[O-]	ZINC000072311993	558798764	/nfs/dbraw/zinc/79/87/64/558798764.db2.gz	SCJNZXJJBNPYES-UHFFFAOYSA-N	1	1	413.909	3.912	50	5		HHBAMO
C[N@H+](CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000057355241	568827557	/nfs/dbraw/zinc/82/75/57/568827557.db2.gz	VSZFSPQCWGXEKF-UHFFFAOYSA-N	1	1	423.263	3.735	50	5		HHBAMO
C[N@@H+](CCOc1ccc(Br)cc1)Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000057355241	568827559	/nfs/dbraw/zinc/82/75/59/568827559.db2.gz	VSZFSPQCWGXEKF-UHFFFAOYSA-N	1	1	423.263	3.735	50	5		HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)Cc1ccc(Br)cc1	ZINC000003345710	568884412	/nfs/dbraw/zinc/88/44/12/568884412.db2.gz	GCUDQZSGWUAONU-LBPRGKRZSA-N	1	1	422.279	3.825	50	5	aggregator	HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(Br)cc1	ZINC000003345710	568884413	/nfs/dbraw/zinc/88/44/13/568884413.db2.gz	GCUDQZSGWUAONU-LBPRGKRZSA-N	1	1	422.279	3.825	50	5	aggregator	HHBAMO
CN(C(=O)C[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000012772536	568952753	/nfs/dbraw/zinc/95/27/53/568952753.db2.gz	BNFRGPFUZNSQDX-UHFFFAOYSA-N	1	1	411.458	3.731	50	5		HHBAMO
Cc1ccc(NC(=O)CN2CC[NH+](Cc3csc4ccccc34)CC2)c([N+](=O)[O-])c1	ZINC000012873436	569013446	/nfs/dbraw/zinc/01/34/46/569013446.db2.gz	JGNINTRZBDYSOJ-UHFFFAOYSA-N	1	1	424.526	3.874	50	5		HHBAMO
COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC	ZINC000005577880	569356881	/nfs/dbraw/zinc/35/68/81/569356881.db2.gz	WXZMFLDJLUMIIC-AVRDEDQJSA-N	1	1	403.523	3.841	50	5		HHBAMO
CC(C)NC(=O)C[NH+]1CCC(Nc2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1	ZINC000040135240	571188327	/nfs/dbraw/zinc/18/83/27/571188327.db2.gz	YBBXIPLDIBTGGZ-UHFFFAOYSA-N	1	1	422.835	3.668	50	5		HHBAMO
COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)C[NH+]2CCCCC2)cc1	ZINC000058268832	568907127	/nfs/dbraw/zinc/90/71/27/568907127.db2.gz	DQHKRLDUZOFVNP-JOCHJYFZSA-N	1	1	422.485	3.767	50	5		HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)CCOc1ccc(Cl)cc1	ZINC000007267477	569230983	/nfs/dbraw/zinc/23/09/83/569230983.db2.gz	YUHRTTHGKPTXAA-ZDUSSCGKSA-N	1	1	407.854	3.595	50	5		HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)CCOc1ccc(Cl)cc1	ZINC000007267477	569230984	/nfs/dbraw/zinc/23/09/84/569230984.db2.gz	YUHRTTHGKPTXAA-ZDUSSCGKSA-N	1	1	407.854	3.595	50	5		HHBAMO
C[C@@H]1C[NH+](C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@@H](C)O1	ZINC000040135260	571188418	/nfs/dbraw/zinc/18/84/18/571188418.db2.gz	DVNPVGXNKBKSGO-QZTJIDSGSA-N	1	1	423.513	3.904	50	5		HHBAMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(Cl)c(Cl)c2)CC1	ZINC000004456029	132277086	/nfs/dbraw/zinc/27/70/86/132277086.db2.gz	ICRBGIGXWIYWAR-UHFFFAOYSA-N	1	1	409.273	3.906	50	5		HHBAMO
C[C@@H]1C[C@@H](C)C[NH+](Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000012750165	568937850	/nfs/dbraw/zinc/93/78/50/568937850.db2.gz	BXNGOXDMMSWDKD-ZIAGYGMSSA-N	1	1	404.492	3.547	50	5		HHBAMO
CN(C(=O)C[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1	ZINC000012788863	569403405	/nfs/dbraw/zinc/40/34/05/569403405.db2.gz	FOLRFEDHRKEBJM-LJQANCHMSA-N	1	1	411.458	3.556	50	5		HHBAMO
CN(C(=O)C[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCCCO2)c1ccc([N+](=O)[O-])cc1	ZINC000012788863	569403407	/nfs/dbraw/zinc/40/34/07/569403407.db2.gz	FOLRFEDHRKEBJM-LJQANCHMSA-N	1	1	411.458	3.556	50	5		HHBAMO
C[C@@H](OC[C@@H](O)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1	ZINC000023389750	559173524	/nfs/dbraw/zinc/17/35/24/559173524.db2.gz	BVVGIYYPRHOYME-APWZRJJASA-N	1	1	419.909	3.509	50	5		HHBAMO
CCO[C@@H](O)[C@H]1[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000019871507	569432189	/nfs/dbraw/zinc/43/21/89/569432189.db2.gz	RJAMVXLGGRZFAI-HVMFNXBNSA-N	1	1	410.392	3.502	50	5		HHBAMO
C[C@H]1C[NH+](C2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)C[C@H](C)O1	ZINC000040135259	571188375	/nfs/dbraw/zinc/18/83/75/571188375.db2.gz	DVNPVGXNKBKSGO-ROUUACIJSA-N	1	1	423.513	3.904	50	5		HHBAMO
O=C(c1ccc([N+](=O)[O-])cc1)N1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1	ZINC000014139469	559153211	/nfs/dbraw/zinc/15/32/11/559153211.db2.gz	ATWDAZLRZGEQNF-UHFFFAOYSA-N	1	1	407.392	3.962	50	5		HHBAMO
C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@H]1CCC[N@H+](C2CCC2)C1	ZINC000095469106	568625357	/nfs/dbraw/zinc/62/53/57/568625357.db2.gz	MAFWESMCPSZSAX-HKUYNNGSSA-N	1	1	414.550	3.580	50	5		HHBAMO
O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000003331553	568882164	/nfs/dbraw/zinc/88/21/64/568882164.db2.gz	KXPLRBACKQHHEU-HNNXBMFYSA-N	1	1	422.825	3.706	50	5		HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)CCOc1ccc(Cl)cc1	ZINC000007267478	569230941	/nfs/dbraw/zinc/23/09/41/569230941.db2.gz	YUHRTTHGKPTXAA-CYBMUJFWSA-N	1	1	407.854	3.595	50	5		HHBAMO
COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)CCOc1ccc(Cl)cc1	ZINC000007267478	569230942	/nfs/dbraw/zinc/23/09/42/569230942.db2.gz	YUHRTTHGKPTXAA-CYBMUJFWSA-N	1	1	407.854	3.595	50	5		HHBAMO
C[NH+](C)[C@H](CNC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cccs1	ZINC000024926758	558621021	/nfs/dbraw/zinc/62/10/21/558621021.db2.gz	FJWACMSCEIYMRK-HXUWFJFHSA-N	1	1	405.523	3.635	50	5		HHBAMO
O=C(C[N@H+](CCCO)[C@H]1CCCc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-]	ZINC000072308759	558771243	/nfs/dbraw/zinc/77/12/43/558771243.db2.gz	GTCFWRQJIDYMBF-IBGZPJMESA-N	1	1	417.893	3.949	50	5		HHBAMO
C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)[C@@H]1CCC[N@H+](C2CCC2)C1	ZINC000095469104	568625307	/nfs/dbraw/zinc/62/53/07/568625307.db2.gz	MAFWESMCPSZSAX-PKOBYXMFSA-N	1	1	414.550	3.580	50	5		HHBAMO
CCO[C@H](O)[C@H]1[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1	ZINC000019871509	569432210	/nfs/dbraw/zinc/43/22/10/569432210.db2.gz	RJAMVXLGGRZFAI-BCYZHJNNSA-N	1	1	410.392	3.502	50	5		HHBAMO
Cc1sc(C(=O)NCc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)cc1[N+](=O)[O-]	ZINC000040087449	571157900	/nfs/dbraw/zinc/15/79/00/571157900.db2.gz	UMHOBLWZVBBPNS-OKILXGFUSA-N	1	1	403.504	3.504	50	5		HHBAMO
CCn1c(=O)c2c3c(sc2nc1SCc1ccc([N+](=O)[O-])cc1)C[N@@H+](C)CC3	ZINC000020266207	568596336	/nfs/dbraw/zinc/59/63/36/568596336.db2.gz	OUMGJQRBNPHMMV-UHFFFAOYSA-N	1	1	416.528	3.666	50	5		HHBAMO
CCn1c(=O)c2c3c(sc2nc1SCc1ccc([N+](=O)[O-])cc1)C[N@H+](C)CC3	ZINC000020266207	568596337	/nfs/dbraw/zinc/59/63/37/568596337.db2.gz	OUMGJQRBNPHMMV-UHFFFAOYSA-N	1	1	416.528	3.666	50	5		HHBAMO
NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CNc3cc(Cl)ccc3[N+](=O)[O-])c2)C1	ZINC000225820282	568782491	/nfs/dbraw/zinc/78/24/91/568782491.db2.gz	PVQVFWHBGHGOAX-MRXNPFEDSA-N	1	1	402.882	3.558	50	5		HHBAMO
Cn1cnc([N+](=O)[O-])c1N1CC[NH+](Cc2ccc(-c3cccc(F)c3)s2)CC1	ZINC000030520999	568869006	/nfs/dbraw/zinc/86/90/06/568869006.db2.gz	SYCHCNFURFBPIC-UHFFFAOYSA-N	1	1	401.467	3.518	50	5		HHBAMO
COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC	ZINC000007006553	569199413	/nfs/dbraw/zinc/19/94/13/569199413.db2.gz	WIHHAAMSUSMUNX-LBPRGKRZSA-N	1	1	407.854	3.724	50	5		HHBAMO
COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC	ZINC000007006553	569199414	/nfs/dbraw/zinc/19/94/14/569199414.db2.gz	WIHHAAMSUSMUNX-LBPRGKRZSA-N	1	1	407.854	3.724	50	5		HHBAMO
CSc1ccc(C(=O)N2CCC[N@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-]	ZINC000010974424	558633541	/nfs/dbraw/zinc/63/35/41/558633541.db2.gz	FHRGSEMAIFGNTI-UHFFFAOYSA-N	1	1	403.479	3.804	50	5		HHBAMO
CSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)cc1[N+](=O)[O-]	ZINC000010974424	558633543	/nfs/dbraw/zinc/63/35/43/558633543.db2.gz	FHRGSEMAIFGNTI-UHFFFAOYSA-N	1	1	403.479	3.804	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@@H](c2cn(C)c3ccccc23)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000106798142	560893870	/nfs/dbraw/zinc/89/38/70/560893870.db2.gz	KMSCVPWMRKCWEN-OAQYLSRUSA-N	1	1	420.513	3.773	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccccc32)c2ccccc2[N+](=O)[O-])CC1	ZINC000096276609	568715373	/nfs/dbraw/zinc/71/53/73/568715373.db2.gz	IHOSDZQQRAYSPQ-IBGZPJMESA-N	1	1	406.486	3.762	50	5		HHBAMO
CCc1noc(CN2CC[NH+](Cc3ccc(-c4ccccc4[N+](=O)[O-])s3)CC2)n1	ZINC000096747835	568764250	/nfs/dbraw/zinc/76/42/50/568764250.db2.gz	VDOXSAOOFPEYBL-UHFFFAOYSA-N	1	1	413.503	3.587	50	5		HHBAMO
COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C(C)C)C4)cc1[N+](=O)[O-]	ZINC000006616559	569074670	/nfs/dbraw/zinc/07/46/70/569074670.db2.gz	LVYKFFZIJMIJCV-KRWDZBQOSA-N	1	1	402.476	3.860	50	5		HHBAMO
Cc1[nH+]ccn1-c1ccc([C@@H](C)Nc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])cc1	ZINC000079046642	569425358	/nfs/dbraw/zinc/42/53/58/569425358.db2.gz	XGWXNVQVSAOZKP-CYBMUJFWSA-N	1	1	400.460	3.666	50	5		HHBAMO
O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccnn1[C@H]1CC[N@@H+](Cc2ccccc2)C1	ZINC000225494077	970106622	/nfs/dbraw/zinc/10/66/22/970106622.db2.gz	RHJXFEDGASQVJP-GLCJEOIMSA-N	1	1	417.469	3.890	50	5		HHBAMO
C[NH+]1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2Cl)CC1	ZINC000004811258	132289358	/nfs/dbraw/zinc/28/93/58/132289358.db2.gz	RGGJOKYKEFGQMP-UHFFFAOYSA-N	1	1	409.273	3.906	50	5		HHBAMO
Cc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)CC2)cc1	ZINC000021445261	568702306	/nfs/dbraw/zinc/70/23/06/568702306.db2.gz	YGCWUUXHGJGRDT-UHFFFAOYSA-N	1	1	408.502	3.826	50	5		HHBAMO
COc1cc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC	ZINC000239432936	569233911	/nfs/dbraw/zinc/23/39/11/569233911.db2.gz	WXZMFLDJLUMIIC-XMSQKQJNSA-N	1	1	403.523	3.841	50	5		HHBAMO
C[N@@H+](CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CCc2ccccc21	ZINC000029482298	522508833	/nfs/dbraw/zinc/50/88/33/522508833.db2.gz	CZYZEZYWRCYDJZ-KRWDZBQOSA-N	1	1	404.264	3.915	50	5		HHBAMO
C[C@@H](CNC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])[N@H+]1CCc2ccccc2C1	ZINC000048342711	568440646	/nfs/dbraw/zinc/44/06/46/568440646.db2.gz	SCZYEMGHOGMKPI-AWEZNQCLSA-N	1	1	421.419	3.719	50	5		HHBAMO
Nc1ccc(C(=O)N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccccc2)cc1[N+](=O)[O-]	ZINC000225769207	568781119	/nfs/dbraw/zinc/78/11/19/568781119.db2.gz	XORUJPBCCBKIOR-RBBKRZOGSA-N	1	1	416.481	3.575	50	5		HHBAMO
COC[C@@H](C)[NH2+][C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	ZINC000012550389	568852893	/nfs/dbraw/zinc/85/28/93/568852893.db2.gz	AFBDSHDREGUSBY-PXAZEXFGSA-N	1	1	422.279	3.662	50	5		HHBAMO
O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Cl	ZINC000003331551	568882076	/nfs/dbraw/zinc/88/20/76/568882076.db2.gz	KXPLRBACKQHHEU-OAHLLOKOSA-N	1	1	422.825	3.706	50	5		HHBAMO
C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000012750176	568937791	/nfs/dbraw/zinc/93/77/91/568937791.db2.gz	BXNGOXDMMSWDKD-OKILXGFUSA-N	1	1	404.492	3.547	50	5		HHBAMO
C[C@@H]1C[C@H](C)C[N@H+](Cc2csc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)C1	ZINC000012750176	568937792	/nfs/dbraw/zinc/93/77/92/568937792.db2.gz	BXNGOXDMMSWDKD-OKILXGFUSA-N	1	1	404.492	3.547	50	5		HHBAMO
O=C(Nc1cccc(Cl)c1)c1ccc(NCCC[NH+]2CCOCC2)c([N+](=O)[O-])c1	ZINC000019799805	569430394	/nfs/dbraw/zinc/43/03/94/569430394.db2.gz	IUOQCIANQHJADN-UHFFFAOYSA-N	1	1	418.881	3.635	50	5		HHBAMO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1	ZINC000008837820	571123483	/nfs/dbraw/zinc/12/34/83/571123483.db2.gz	DUYBKUVWMWZCHH-AWEZNQCLSA-N	1	1	423.292	3.836	50	5		HHBAMO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1	ZINC000008837820	571123485	/nfs/dbraw/zinc/12/34/85/571123485.db2.gz	DUYBKUVWMWZCHH-AWEZNQCLSA-N	1	1	423.292	3.836	50	5		HHBAMO
COc1cc2c(cc1OC)C1(CCCC1)C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C2	ZINC000004964916	559217423	/nfs/dbraw/zinc/21/74/23/559217423.db2.gz	LPZFXWUAMOVUAH-FQEVSTJZSA-N	1	1	412.486	3.973	50	5		HHBAMO
CC[NH+]1CCN(C(=O)C[C@H](c2c[nH]c3ccc([N+](=O)[O-])cc32)c2ccc(F)cc2)CC1	ZINC000096276538	568715327	/nfs/dbraw/zinc/71/53/27/568715327.db2.gz	MLAWVPBLUARDOL-IBGZPJMESA-N	1	1	424.476	3.901	50	5		HHBAMO
COc1cc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C2CCCCC2)c([N+](=O)[O-])cc1OC	ZINC000005032651	559230726	/nfs/dbraw/zinc/23/07/26/559230726.db2.gz	WXZMFLDJLUMIIC-GCJKJVERSA-N	1	1	403.523	3.841	50	5		HHBAMO
C[NH+](C)[C@H](CNC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccccc1Cl	ZINC000008024124	568969011	/nfs/dbraw/zinc/96/90/11/568969011.db2.gz	DKEWRDNPELJZFE-LJQANCHMSA-N	1	1	402.882	3.855	50	5		HHBAMO
C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1	ZINC000170591395	569240572	/nfs/dbraw/zinc/24/05/72/569240572.db2.gz	HHZJHHFVAZCACV-LLVKDONJSA-N	1	1	402.289	3.702	50	5		HHBAMO