smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
COc1ccc(C(=O)CO[P@@](C)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005733212	204223716	/nfs/dbraw/zinc/22/37/16/204223716.db2.gz	CXUJPWFLLYPAPA-RUZDIDTESA-N	0	0	365.278	3.705	10	5		FHBERN
CCOCCOc1ccc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1	ZINC000009818596	204383587	/nfs/dbraw/zinc/38/35/87/204383587.db2.gz	QFPOIWYPEGOMDQ-UHFFFAOYSA-N	0	0	364.785	3.916	10	5		FHBERN
Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnn1-c1ccc(C)c(C)c1	ZINC000040179389	205063249	/nfs/dbraw/zinc/06/32/49/205063249.db2.gz	GLKFBQZHXBXFSO-UHFFFAOYSA-N	0	0	365.393	3.661	10	5		FHBERN
COc1ccc(-c2ccc(C(=O)Nc3cc(C)ccn3)o2)c([N+](=O)[O-])c1	ZINC000040374515	205067212	/nfs/dbraw/zinc/06/72/12/205067212.db2.gz	XJGAMDCNWCJXSD-UHFFFAOYSA-N	0	0	353.334	3.819	10	5		FHBERN
Cc1cc(C(=O)Nc2ccc(C(=O)OCC(C)C)cc2)ccc1[N+](=O)[O-]	ZINC000040868972	205083527	/nfs/dbraw/zinc/08/35/27/205083527.db2.gz	HMIZFBKNEXWCOQ-UHFFFAOYSA-N	0	0	356.378	3.968	10	5		FHBERN
CCN(c1cccc(C)c1)c1ncnc(Nc2cccnc2)c1[N+](=O)[O-]	ZINC000040572348	205073127	/nfs/dbraw/zinc/07/31/27/205073127.db2.gz	MAQCVMDBKBJVPZ-UHFFFAOYSA-N	0	0	350.382	3.990	10	5		FHBERN
COc1ccc(Cl)cc1Nc1ncnc(Nc2cccnc2)c1[N+](=O)[O-]	ZINC000040589596	205073156	/nfs/dbraw/zinc/07/31/56/205073156.db2.gz	OENLYSBGZGFHKM-UHFFFAOYSA-N	0	0	372.772	3.929	10	5		FHBERN
Cc1cc(C)n(-c2ncnc(Nc3cc(Cl)ccc3C)c2[N+](=O)[O-])n1	ZINC000040593089	205074022	/nfs/dbraw/zinc/07/40/22/205074022.db2.gz	JMKRPTPBRHYFGH-UHFFFAOYSA-N	0	0	358.789	3.893	10	5		FHBERN
CCCCNc1ncnc(Nc2ccc(C(=O)OCC)cc2)c1[N+](=O)[O-]	ZINC000040595144	205074068	/nfs/dbraw/zinc/07/40/68/205074068.db2.gz	CVLZDGIAOVUZGD-UHFFFAOYSA-N	0	0	359.386	3.517	10	5		FHBERN
O=[N+]([O-])c1cccc(Nc2ncnc(Nc3ccc(F)cc3)c2[N+](=O)[O-])c1	ZINC000040648825	205076286	/nfs/dbraw/zinc/07/62/86/205076286.db2.gz	ZRKICNBBUSUFLO-UHFFFAOYSA-N	0	0	370.300	3.919	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1-n1cnc2ccccc21	ZINC000040649452	205076401	/nfs/dbraw/zinc/07/64/01/205076401.db2.gz	VAPSZLDQKRJNJV-UHFFFAOYSA-N	0	0	350.313	3.606	10	5		FHBERN
CN(C)C(=O)c1ccc(NC(=O)/C=C/c2ccccc2[N+](=O)[O-])cc1Cl	ZINC000056435583	205231584	/nfs/dbraw/zinc/23/15/84/205231584.db2.gz	XIIJCANWDAGBJT-JXMROGBWSA-N	0	0	373.796	3.602	10	5		FHBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O	ZINC000072450888	205553816	/nfs/dbraw/zinc/55/38/16/205553816.db2.gz	TYBGSXIDFCHNDG-UHFFFAOYSA-N	0	0	367.336	3.650	10	5		FHBERN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)N[C@@H](C)c1cccc(Cl)c1	ZINC000108404246	206031036	/nfs/dbraw/zinc/03/10/36/206031036.db2.gz	CTQNZFUFVGUDDO-NSHDSACASA-N	0	0	354.815	3.596	10	5		FHBERN
CC[C@@H](NC(=O)N(C)C[C@@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1	ZINC000181921047	568196699	/nfs/dbraw/zinc/19/66/99/568196699.db2.gz	DHZANVUBALIMOR-IUODEOHRSA-N	0	0	362.455	3.948	10	5		FHBERN
CCN(CC)c1nc([N+](=O)[O-])nn1C(c1ccccc1)c1ccccc1	ZINC000095116163	203810100	/nfs/dbraw/zinc/81/01/00/203810100.db2.gz	HCSXQKDHBMVIBC-UHFFFAOYSA-N	0	0	351.410	3.670	10	5		FHBERN
O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2ccc3cccnc3c2n1	ZINC000028640880	203929786	/nfs/dbraw/zinc/92/97/86/203929786.db2.gz	ANHAJXKXUZPVCP-IBGZPJMESA-N	0	0	357.413	3.569	10	5		FHBERN
CC(=O)Oc1ccc2c(c1)oc1c2c(=O)oc2cc(OC(C)=O)ccc12	ZINC000001696426	204017612	/nfs/dbraw/zinc/01/76/12/204017612.db2.gz	AHOLUZZXIVWXQQ-UHFFFAOYSA-N	0	0	352.298	3.543	10	5	in-vitro	FHBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1cccc(Br)c1	ZINC000005750070	204223005	/nfs/dbraw/zinc/22/30/05/204223005.db2.gz	BVTOCALAGSLPLA-UHFFFAOYSA-N	0	0	365.183	3.683	10	5		FHBERN
CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])c(Cl)s1	ZINC000038825123	204970326	/nfs/dbraw/zinc/97/03/26/204970326.db2.gz	PRUNUGBCAWHOIO-UHFFFAOYSA-N	0	0	367.235	3.788	10	5		FHBERN
Cc1ccc(Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])cc1Cl	ZINC000040591094	205074274	/nfs/dbraw/zinc/07/42/74/205074274.db2.gz	HCKXNIAKAJHONJ-UHFFFAOYSA-N	0	0	350.810	3.805	10	5		FHBERN
CCN(CC)c1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040608266	205074611	/nfs/dbraw/zinc/07/46/11/205074611.db2.gz	LYZCPRQNRYTPIH-UHFFFAOYSA-N	0	0	367.203	3.786	10	5		FHBERN
CCOc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]	ZINC000040646445	205074886	/nfs/dbraw/zinc/07/48/86/205074886.db2.gz	SNQBNUFKMCMQAY-UHFFFAOYSA-N	0	0	351.366	3.949	10	5		FHBERN
COc1ccccc1Oc1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-]	ZINC000040661621	205075788	/nfs/dbraw/zinc/07/57/88/205075788.db2.gz	HPLVGEFJHOXFSS-UHFFFAOYSA-N	0	0	363.333	3.525	10	5		FHBERN
CC(=O)Nc1ccc(Nc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040659723	205076441	/nfs/dbraw/zinc/07/64/41/205076441.db2.gz	GAYQLQZMJHTICQ-UHFFFAOYSA-N	0	0	365.349	3.879	10	5		FHBERN
COc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000055743504	205223005	/nfs/dbraw/zinc/22/30/05/205223005.db2.gz	GOIBARJHSMJQFF-VIFPVBQESA-N	0	0	352.749	3.887	10	5		FHBERN
O=[N+]([O-])c1ccc(-c2ccnc3nc(SCc4ccccc4)nn32)cc1	ZINC000072439854	205550683	/nfs/dbraw/zinc/55/06/83/205550683.db2.gz	MVTPYHOULCPJJM-UHFFFAOYSA-N	0	0	363.402	3.992	10	5		FHBERN
CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2F)c1	ZINC000105613221	206008521	/nfs/dbraw/zinc/00/85/21/206008521.db2.gz	XNLRFNCEDBQXAH-UHFFFAOYSA-N	0	0	359.357	3.971	10	5		FHBERN
Nc1c(Br)cc(Br)c(C(F)(F)F)c1[N+](=O)[O-]	ZINC000226359427	206121781	/nfs/dbraw/zinc/12/17/81/206121781.db2.gz	WIMVKMQIOLGQJN-UHFFFAOYSA-N	0	0	363.915	3.721	10	5		FHBERN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1F	ZINC000226862851	206123473	/nfs/dbraw/zinc/12/34/73/206123473.db2.gz	ZAQYPDBXIIDDKA-UHFFFAOYSA-N	0	0	365.169	3.842	10	5		FHBERN
CC(C)(C)OC(=O)NC1(c2ccc(Cl)c([N+](=O)[O-])c2)CCOCC1	ZINC000685945564	571142140	/nfs/dbraw/zinc/14/21/40/571142140.db2.gz	UMGDWWCLWZGEBQ-UHFFFAOYSA-N	0	0	356.806	3.779	10	5		FHBERN
O=[N+]([O-])c1cc(S(=O)(=O)Oc2cccc(Cl)c2)sc1Cl	ZINC000002142262	204027239	/nfs/dbraw/zinc/02/72/39/204027239.db2.gz	MINPLUNDUNNUSV-UHFFFAOYSA-N	0	0	354.192	3.731	10	5		FHBERN
Nc1cc2ncnc(Nc3cccc(Br)c3)c2cc1[N+](=O)[O-]	ZINC000003815250	204111974	/nfs/dbraw/zinc/11/19/74/204111974.db2.gz	KLWXDJHZDQENNS-UHFFFAOYSA-N	0	0	360.171	3.626	10	5		FHBERN
COc1ccc(NC=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc1Cl	ZINC000004590468	204149790	/nfs/dbraw/zinc/14/97/90/204149790.db2.gz	SMFNQYCJHDBTOP-NTEUORMPSA-N	0	0	373.752	3.514	10	5		FHBERN
COc1cccc(-c2csc(NC(=O)c3ccccc3[N+](=O)[O-])n2)c1	ZINC000006451652	204248819	/nfs/dbraw/zinc/24/88/19/204248819.db2.gz	DOUGVPCMAZFXBD-UHFFFAOYSA-N	0	0	355.375	3.979	10	5		FHBERN
CCOc1ccccc1NC(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1	ZINC000010012181	204388571	/nfs/dbraw/zinc/38/85/71/204388571.db2.gz	QYYVAQZDFWXSQM-ZHACJKMWSA-N	0	0	371.418	3.520	10	5		FHBERN
CCOc1cccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1	ZINC000010012268	204389236	/nfs/dbraw/zinc/38/92/36/204389236.db2.gz	JNPIAVIUTOYGGX-MDZDMXLPSA-N	0	0	371.418	3.520	10	5		FHBERN
Cc1cc(OCC(=O)c2ccccc2Br)ccc1[N+](=O)[O-]	ZINC000037976313	204761016	/nfs/dbraw/zinc/76/10/16/204761016.db2.gz	BNDKYYKNJPXYHW-UHFFFAOYSA-N	0	0	350.168	3.927	10	5		FHBERN
Cc1c(Cl)ccc2c(O)c(C(=O)Nc3ccc([N+](=O)[O-])cc3)cnc12	ZINC000040359313	205066716	/nfs/dbraw/zinc/06/67/16/205066716.db2.gz	VEMAFUADFPKGSR-UHFFFAOYSA-N	0	0	357.753	3.650	10	5		FHBERN
CCOc1ccc(CCC(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC	ZINC000041000026	205086902	/nfs/dbraw/zinc/08/69/02/205086902.db2.gz	BJTHAEVBBIILDF-UHFFFAOYSA-N	0	0	358.394	3.882	10	5		FHBERN
O=[N+]([O-])c1c(NCc2ccc(F)cc2)ncnc1N1CCc2ccccc21	ZINC000040586234	205072480	/nfs/dbraw/zinc/07/24/80/205072480.db2.gz	FJEYZZDNEDAINB-UHFFFAOYSA-N	0	0	365.368	3.830	10	5		FHBERN
Cc1ccc(CNc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040586173	205072869	/nfs/dbraw/zinc/07/28/69/205072869.db2.gz	ODAPHJVGDDYWRX-UHFFFAOYSA-N	0	0	361.405	4.000	10	5		FHBERN
COc1ccccc1Nc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000040625353	205074236	/nfs/dbraw/zinc/07/42/36/205074236.db2.gz	KLSLWKZRDWUIRK-UHFFFAOYSA-N	0	0	351.366	3.905	10	5		FHBERN
COc1ccc(Oc2ncnc(N(C)c3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040625665	205074594	/nfs/dbraw/zinc/07/45/94/205074594.db2.gz	ASTWXTNBUVXNHX-UHFFFAOYSA-N	0	0	352.350	3.954	10	5		FHBERN
Cc1ccc(Nc2ncnc(N(CC(C)C)CC(C)C)c2[N+](=O)[O-])nc1	ZINC000040613977	205075178	/nfs/dbraw/zinc/07/51/78/205075178.db2.gz	SUNQJCDLBLMBET-UHFFFAOYSA-N	0	0	358.446	3.950	10	5		FHBERN
O=C(/C=C\c1cccc([N+](=O)[O-])c1)NCc1cc(Br)cs1	ZINC000046257382	206079589	/nfs/dbraw/zinc/07/95/89/206079589.db2.gz	ASEKBSCIWRATOB-PLNGDYQASA-N	0	0	367.224	3.748	10	5		FHBERN
C[C@H](O)c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1	ZINC000226273683	206120203	/nfs/dbraw/zinc/12/02/03/206120203.db2.gz	AMGJJUFKNXDGMF-VIFPVBQESA-N	0	0	365.183	3.663	10	5		FHBERN
C[C@H]1[C@H](NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)CCC[C@@H]1C	ZINC000015791661	206315409	/nfs/dbraw/zinc/31/54/09/206315409.db2.gz	RCKQRSPZVUWTGA-OPQQBVKSSA-N	0	0	355.232	3.912	10	5		FHBERN
O=[N+]([O-])c1cnc2c(I)cc(F)cc2c1Cl	ZINC000165881647	570980446	/nfs/dbraw/zinc/98/04/46/570980446.db2.gz	MIUHBKOCSSAUEK-UHFFFAOYSA-N	0	0	352.490	3.540	10	5		FHBERN
COC(=O)/C=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1	ZINC000226257040	571275954	/nfs/dbraw/zinc/27/59/54/571275954.db2.gz	JJNUAGSQSXSQEY-QPJJXVBHSA-N	0	0	352.140	3.804	10	5		FHBERN
O=[N+]([O-])c1c2nnnn2c2ccc(Br)cc2c1-c1ccccc1	ZINC000002476587	204041269	/nfs/dbraw/zinc/04/12/69/204041269.db2.gz	MFLAHTQMKDBONF-UHFFFAOYSA-N	0	0	370.166	3.615	10	5		FHBERN
O=[N+]([O-])c1cccc(CNc2ccc(I)cc2)c1	ZINC000014047804	204563067	/nfs/dbraw/zinc/56/30/67/204563067.db2.gz	XQRJLMRKTLKKNB-UHFFFAOYSA-N	0	0	354.147	3.812	10	5		FHBERN
CCOc1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC	ZINC000041000047	205087769	/nfs/dbraw/zinc/08/77/69/205087769.db2.gz	TTWMTVXELGSDFL-UHFFFAOYSA-N	0	0	374.393	3.582	10	5		FHBERN
CC(C)(C)[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1cccs1	ZINC000041627292	205092087	/nfs/dbraw/zinc/09/20/87/205092087.db2.gz	KRJQSQGPDPDFMV-CQSZACIVSA-N	0	0	354.453	3.722	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccccc2C(F)(F)F)ncnc1N1CCCC1	ZINC000040588622	205072830	/nfs/dbraw/zinc/07/28/30/205072830.db2.gz	UMOHLJHHSRCMLH-UHFFFAOYSA-N	0	0	353.304	3.747	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccc2c(c1)OCO2	ZINC000040584242	205073524	/nfs/dbraw/zinc/07/35/24/205073524.db2.gz	XZBIAZBPTMFMCP-UHFFFAOYSA-N	0	0	351.322	3.601	10	5		FHBERN
CCN(CC)c1ncnc(Nc2cccc3ccc(C)nc32)c1[N+](=O)[O-]	ZINC000040607995	205074043	/nfs/dbraw/zinc/07/40/43/205074043.db2.gz	LCKKRBFIAIZFDA-UHFFFAOYSA-N	0	0	352.398	3.831	10	5		FHBERN
COC(=O)c1ccccc1Nc1ncnc(Nc2ccccc2)c1[N+](=O)[O-]	ZINC000040645595	205074993	/nfs/dbraw/zinc/07/49/93/205074993.db2.gz	QAOVZPBYGCBILU-UHFFFAOYSA-N	0	0	365.349	3.659	10	5		FHBERN
COc1ccccc1Nc1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040648433	205075581	/nfs/dbraw/zinc/07/55/81/205075581.db2.gz	ZHBJMANHLCPWFO-UHFFFAOYSA-N	0	0	369.356	3.888	10	5		FHBERN
COc1ccc(Oc2ncnc(Nc3ccccc3OC)c2[N+](=O)[O-])cc1	ZINC000040648460	205076222	/nfs/dbraw/zinc/07/62/22/205076222.db2.gz	YTEISAMMTSOFNL-UHFFFAOYSA-N	0	0	368.349	3.938	10	5		FHBERN
Cc1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)[nH]c2=O)cc1[N+](=O)[O-]	ZINC000072450886	205554332	/nfs/dbraw/zinc/55/43/32/205554332.db2.gz	AGDFWAOWRUJMKK-UHFFFAOYSA-N	0	0	367.336	3.650	10	5		FHBERN
O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)n1cc(CO)c2ccccc21	ZINC000226766924	206122912	/nfs/dbraw/zinc/12/29/12/206122912.db2.gz	VOYOUUCIBKBRTN-UHFFFAOYSA-N	0	0	362.341	3.990	10	5		FHBERN
O=[N+]([O-])c1c(OC2CCCCC2)ncnc1N1CCc2ccccc2C1	ZINC000040647733	132948300	/nfs/dbraw/zinc/94/83/00/132948300.db2.gz	OLURFMUGJKZLIV-UHFFFAOYSA-N	0	0	354.410	3.659	10	5		FHBERN
Cc1cc(N2CCC(c3cnn(C)c3)CC2)c2cccc([N+](=O)[O-])c2n1	ZINC000302036763	568065239	/nfs/dbraw/zinc/06/52/39/568065239.db2.gz	UYCHHNILRQCPFY-UHFFFAOYSA-N	0	0	351.410	3.569	10	5		FHBERN
COc1ccc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cc1[N+](=O)[O-]	ZINC000001441399	204006866	/nfs/dbraw/zinc/00/68/66/204006866.db2.gz	WNOMKQJACIJPDR-MDWZMJQESA-N	0	0	358.737	3.601	10	5		FHBERN
CCOc1ccc(/C=C/C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC	ZINC000005654099	204219723	/nfs/dbraw/zinc/21/97/23/204219723.db2.gz	XIRGMXZQIBPQCQ-JXMROGBWSA-N	0	0	356.378	3.962	10	5		FHBERN
CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC	ZINC000005718832	204221896	/nfs/dbraw/zinc/22/18/96/204221896.db2.gz	GOCVGIRAFJPIHD-UXBLZVDNSA-N	0	0	372.377	3.663	10	5		FHBERN
O=C(CCc1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000008381123	204329579	/nfs/dbraw/zinc/32/95/79/204329579.db2.gz	XMGQFGIGWMDRFX-UHFFFAOYSA-N	0	0	363.826	3.694	10	5		FHBERN
COC(=O)c1cccc(NC(=S)Nc2cc([N+](=O)[O-])ccc2Cl)c1	ZINC000023775877	204812331	/nfs/dbraw/zinc/81/23/31/204812331.db2.gz	KWWKZFYZPCQWDZ-UHFFFAOYSA-N	0	0	365.798	3.844	10	5		FHBERN
CCCCOc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1	ZINC000073642557	205032224	/nfs/dbraw/zinc/03/22/24/205032224.db2.gz	CGFBLXAGSNJOOL-UHFFFAOYSA-N	0	0	367.405	3.853	10	5		FHBERN
Cc1ccc2sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc2c1C	ZINC000040965601	205086893	/nfs/dbraw/zinc/08/68/93/205086893.db2.gz	WVZJWXIDFBBMMJ-UHFFFAOYSA-N	0	0	357.391	3.839	10	5		FHBERN
CCOC(=O)c1ccc(Nc2ncnc(NC(C)(C)C)c2[N+](=O)[O-])cc1	ZINC000040581681	205073223	/nfs/dbraw/zinc/07/32/23/205073223.db2.gz	JGQWXRFKYYTCLJ-UHFFFAOYSA-N	0	0	359.386	3.516	10	5		FHBERN
Cc1ccccc1Nc1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040584244	205073576	/nfs/dbraw/zinc/07/35/76/205073576.db2.gz	DWDYDSSMHSHETD-UHFFFAOYSA-N	0	0	365.349	3.909	10	5		FHBERN
COc1ccccc1Nc1[nH]cnc(=NNc2ccccc2)c1[N+](=O)[O-]	ZINC000040624464	205074254	/nfs/dbraw/zinc/07/42/54/205074254.db2.gz	RCZGYNPXLYYESB-UHFFFAOYSA-N	0	0	352.354	3.576	10	5		FHBERN
Cc1cc(C)n(-c2ncnc(Nc3ccc(C)c(Cl)c3)c2[N+](=O)[O-])n1	ZINC000040591210	205074282	/nfs/dbraw/zinc/07/42/82/205074282.db2.gz	PWTOHPCJBXLIJP-UHFFFAOYSA-N	0	0	358.789	3.893	10	5		FHBERN
CCCCN(C)c1ncnc(Nc2ccc(C(=O)OCC)cc2)c1[N+](=O)[O-]	ZINC000040612018	205074302	/nfs/dbraw/zinc/07/43/02/205074302.db2.gz	KOHVVNHHPAOCHI-UHFFFAOYSA-N	0	0	373.413	3.541	10	5		FHBERN
Cc1cc(C)n(-c2ncnc(Nc3ccc(Cl)cc3C)c2[N+](=O)[O-])n1	ZINC000040590772	205074373	/nfs/dbraw/zinc/07/43/73/205074373.db2.gz	GKDMDDGXTRUDTC-UHFFFAOYSA-N	0	0	358.789	3.893	10	5		FHBERN
CCNc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-]	ZINC000040596538	205074649	/nfs/dbraw/zinc/07/46/49/205074649.db2.gz	XZCNXXATIFOTGG-UHFFFAOYSA-N	0	0	350.382	3.550	10	5		FHBERN
Cc1ccc2c(cccc2Nc2ncnc(N3CCCC3)c2[N+](=O)[O-])n1	ZINC000040609380	205074700	/nfs/dbraw/zinc/07/47/00/205074700.db2.gz	JQRJMNWMJGKLAN-UHFFFAOYSA-N	0	0	350.382	3.585	10	5		FHBERN
CC(C)(C)NN=c1nc[nH]c(Nc2cccc3ccccc32)c1[N+](=O)[O-]	ZINC000040627275	205075074	/nfs/dbraw/zinc/07/50/74/205075074.db2.gz	LZPYMNVKHBZMIH-UHFFFAOYSA-N	0	0	352.398	3.997	10	5		FHBERN
CC(C)Oc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-]	ZINC000040659665	205075644	/nfs/dbraw/zinc/07/56/44/205075644.db2.gz	BFUCFTZPGCWABA-UHFFFAOYSA-N	0	0	365.393	3.905	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc(F)c(F)c2)ncnc1-n1cnc2ccccc21	ZINC000040661118	205076065	/nfs/dbraw/zinc/07/60/65/205076065.db2.gz	YRLPWSAGSGRIMS-UHFFFAOYSA-N	0	0	368.303	3.746	10	5		FHBERN
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCc1cc(Br)cs1	ZINC000046257385	206079151	/nfs/dbraw/zinc/07/91/51/206079151.db2.gz	ASEKBSCIWRATOB-SNAWJCMRSA-N	0	0	367.224	3.748	10	5		FHBERN
COC(=O)c1c(C)n(C(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccccc12	ZINC000226368005	206123613	/nfs/dbraw/zinc/12/36/13/206123613.db2.gz	TWPYYEOUKFQIOA-UHFFFAOYSA-N	0	0	372.764	3.986	10	5		FHBERN
CC[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@@H](CC)O1	ZINC000725263978	570538654	/nfs/dbraw/zinc/53/86/54/570538654.db2.gz	YUUJCSZYPSLYCC-VXGBXAGGSA-N	0	0	357.248	3.747	10	5		FHBERN
COc1cccc2c1Sc1ccccc1C[C@@H]2N1CC[N+](C)([O-])CC1	ZINC000033824113	717122170	/nfs/dbraw/zinc/12/21/70/717122170.db2.gz	QJHRVHCJLKCCPE-KRWDZBQOSA-N	0	0	356.491	3.704	10	5		FHBERN
O=[N+]([O-])C(=CNc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1	ZINC000001401747	204004081	/nfs/dbraw/zinc/00/40/81/204004081.db2.gz	BIBZUCGNDHWLIN-ZROIWOOFSA-N	0	0	373.217	3.955	10	5		FHBERN
COc1ccccc1Nc1ncnc(Nc2ccccc2OC)c1[N+](=O)[O-]	ZINC000005353107	204204821	/nfs/dbraw/zinc/20/48/21/204204821.db2.gz	AZNRXNYBWFPJMZ-UHFFFAOYSA-N	0	0	367.365	3.889	10	5		FHBERN
Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)ccc1N	ZINC000071698935	205028649	/nfs/dbraw/zinc/02/86/49/205028649.db2.gz	URGSNPQWVLZRBS-UHFFFAOYSA-N	0	0	350.172	3.500	10	5		FHBERN
Cc1ccc(NC(=O)c2cc(Br)ccc2N)cc1[N+](=O)[O-]	ZINC000071698947	205028665	/nfs/dbraw/zinc/02/86/65/205028665.db2.gz	CYGGRVDCNUVQBZ-UHFFFAOYSA-N	0	0	350.172	3.500	10	5		FHBERN
O=C(/C=C/c1ccc(Cl)cc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642529	205032134	/nfs/dbraw/zinc/03/21/34/205032134.db2.gz	PFXCGXVXMPYMHG-FPYGCLRLSA-N	0	0	355.781	3.727	10	5		FHBERN
Cc1ccc2sc(NC(=O)COc3ccccc3[N+](=O)[O-])nc2c1C	ZINC000040965649	205086034	/nfs/dbraw/zinc/08/60/34/205086034.db2.gz	NWWHKESNJCQFSZ-UHFFFAOYSA-N	0	0	357.391	3.839	10	5		FHBERN
COC(=O)c1ccc(Oc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040587634	205072627	/nfs/dbraw/zinc/07/26/27/205072627.db2.gz	OSBKKHWTVVOPCD-UHFFFAOYSA-N	0	0	366.333	3.707	10	5		FHBERN
COc1ccc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040586161	205073551	/nfs/dbraw/zinc/07/35/51/205073551.db2.gz	AVVVYZRDPDCJIA-UHFFFAOYSA-N	0	0	363.377	3.831	10	5		FHBERN
CCN(CC)c1ncnc(Sc2cccc3cccnc32)c1[N+](=O)[O-]	ZINC000040608281	205074205	/nfs/dbraw/zinc/07/42/05/205074205.db2.gz	FFGKSLQZDJPOKA-UHFFFAOYSA-N	0	0	355.423	3.930	10	5		FHBERN
CC(C)Nc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040597840	205074335	/nfs/dbraw/zinc/07/43/35/205074335.db2.gz	QGIGCJRVHSXFLI-UHFFFAOYSA-N	0	0	353.176	3.760	10	5		FHBERN
CC(=O)c1cccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c1	ZINC000040593147	205074449	/nfs/dbraw/zinc/07/44/49/205074449.db2.gz	OYFCQVRPLWJWIE-UHFFFAOYSA-N	0	0	355.398	3.711	10	5		FHBERN
CCOc1ncnc(NC(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]	ZINC000040650621	205075817	/nfs/dbraw/zinc/07/58/17/205075817.db2.gz	RWZNJNNDKDHEEI-UHFFFAOYSA-N	0	0	350.378	3.985	10	5		FHBERN
Cc1ccc2c(cccc2Nc2[nH]cnc(=NNC(C)(C)C)c2[N+](=O)[O-])n1	ZINC000040659945	205075945	/nfs/dbraw/zinc/07/59/45/205075945.db2.gz	JTZUMGZVMRQKPR-UHFFFAOYSA-N	0	0	367.413	3.700	10	5		FHBERN
COCCNc1ncnc(Oc2cc(C)c(Cl)c(C)c2)c1[N+](=O)[O-]	ZINC000040656948	205076119	/nfs/dbraw/zinc/07/61/19/205076119.db2.gz	CDFJRPWCNOTMMU-UHFFFAOYSA-N	0	0	352.778	3.506	10	5		FHBERN
O=[N+]([O-])c1c(NC2CCCCCC2)ncnc1-n1cnc2ccccc21	ZINC000040661300	205076193	/nfs/dbraw/zinc/07/61/93/205076193.db2.gz	AZCPVHMYZWZQJR-UHFFFAOYSA-N	0	0	352.398	3.858	10	5		FHBERN
NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ccc(Br)cc21	ZINC000226360360	206123496	/nfs/dbraw/zinc/12/34/96/206123496.db2.gz	ASMHCTMOPJEOOF-UHFFFAOYSA-N	0	0	372.178	3.671	10	5		FHBERN
COc1ccc([N+](=O)[O-])cc1CNc1nnc(Cc2ccc(F)cc2)s1	ZINC000302107084	568265956	/nfs/dbraw/zinc/26/59/56/568265956.db2.gz	NZPOSZVTNCPBPK-UHFFFAOYSA-N	0	0	374.397	3.797	10	5		FHBERN
COc1ccc(C(=O)c2ccc(Br)c(C)c2)cc1[N+](=O)[O-]	ZINC000642881886	571291454	/nfs/dbraw/zinc/29/14/54/571291454.db2.gz	APJBUPHUJLURMZ-UHFFFAOYSA-N	0	0	350.168	3.905	10	5		FHBERN
O=[N+]([O-])c1c(Br)sc(NCCc2ccccc2)c1[N+](=O)[O-]	ZINC000005224463	204198529	/nfs/dbraw/zinc/19/85/29/204198529.db2.gz	HWOVTJOQJZTNJA-UHFFFAOYSA-N	0	0	372.200	3.982	10	5		FHBERN
O=C(CCc1ccccc1Cl)NC(=S)Nc1ccc([N+](=O)[O-])cc1	ZINC000010012741	204388879	/nfs/dbraw/zinc/38/88/79/204388879.db2.gz	XYBBRGJUMRWESJ-UHFFFAOYSA-N	0	0	363.826	3.694	10	5		FHBERN
CCOc1cccc2sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc21	ZINC000040979898	205086676	/nfs/dbraw/zinc/08/66/76/205086676.db2.gz	ITJACWXBALQXLJ-UHFFFAOYSA-N	0	0	373.390	3.621	10	5		FHBERN
COC(=O)c1ccc(Oc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040587859	205073468	/nfs/dbraw/zinc/07/34/68/205073468.db2.gz	RALQRACQCQUPMJ-UHFFFAOYSA-N	0	0	367.317	3.756	10	5		FHBERN
O=[N+]([O-])c1c(Sc2cccc3cccnc32)ncnc1N1CCCC1	ZINC000040609396	205074655	/nfs/dbraw/zinc/07/46/55/205074655.db2.gz	LJQPKKNJHWNHRH-UHFFFAOYSA-N	0	0	353.407	3.684	10	5		FHBERN
O=[N+]([O-])c1c(Nc2cccc(Cl)c2Cl)ncnc1-n1ccnc1	ZINC000040646789	205074901	/nfs/dbraw/zinc/07/49/01/205074901.db2.gz	REKQBVYFNBTVBV-UHFFFAOYSA-N	0	0	351.153	3.621	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccccc2Cl)ncnc1-n1nnc2ccccc21	ZINC000040648233	205075431	/nfs/dbraw/zinc/07/54/31/205075431.db2.gz	MLKLLVIWNYGJAG-UHFFFAOYSA-N	0	0	367.756	3.516	10	5		FHBERN
Cc1ccc(Sc2ncnc(-n3nnc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040650390	205075996	/nfs/dbraw/zinc/07/59/96/205075996.db2.gz	PLPOCOXJPPYBRD-UHFFFAOYSA-N	0	0	364.390	3.578	10	5		FHBERN
COc1ccc(N2C(=N)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1	ZINC000047154355	205143449	/nfs/dbraw/zinc/14/34/49/205143449.db2.gz	BESKEQSZNFMSCL-UZUODQGYSA-N	0	0	355.375	3.659	10	5		FHBERN
CC1CCN(c2ncnc(Nc3cccc4ncccc43)c2[N+](=O)[O-])CC1	ZINC000040612976	132947961	/nfs/dbraw/zinc/94/79/61/132947961.db2.gz	VLVOIIHZMKMEKA-UHFFFAOYSA-N	0	0	364.409	3.913	10	5		FHBERN
COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000128596241	568066791	/nfs/dbraw/zinc/06/67/91/568066791.db2.gz	WNIGLMMCWWNCOJ-HNNXBMFYSA-N	0	0	368.311	3.507	10	5		FHBERN
COc1ccc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000128596468	568066806	/nfs/dbraw/zinc/06/68/06/568066806.db2.gz	WNIGLMMCWWNCOJ-OAHLLOKOSA-N	0	0	368.311	3.507	10	5		FHBERN
CC(C)(C)OC(=O)N1CCc2c(c(Br)ccc2[N+](=O)[O-])C1	ZINC000536960008	571113460	/nfs/dbraw/zinc/11/34/60/571113460.db2.gz	RJVOMVKLYKZLAE-UHFFFAOYSA-N	0	0	357.204	3.651	10	5		FHBERN
COc1cc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])ccc1OC(C)=O	ZINC000005519562	204213021	/nfs/dbraw/zinc/21/30/21/204213021.db2.gz	BZAYMIXQMHFFKA-HWKANZROSA-N	0	0	358.306	3.607	10	5		FHBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccc(Br)cc1	ZINC000005750061	204223335	/nfs/dbraw/zinc/22/33/35/204223335.db2.gz	RKMSIYWKOXZQMJ-UHFFFAOYSA-N	0	0	365.183	3.683	10	5		FHBERN
CN(c1ccccc1)c1ncnc(Nc2ccc3c(c2)OCO3)c1[N+](=O)[O-]	ZINC000040584184	205073648	/nfs/dbraw/zinc/07/36/48/205073648.db2.gz	YJUSCOFJHHGQCN-UHFFFAOYSA-N	0	0	365.349	3.625	10	5		FHBERN
O=[N+]([O-])c1c(Nc2cccc(C(F)(F)F)c2)ncnc1N1CCCC1	ZINC000040609083	205074768	/nfs/dbraw/zinc/07/47/68/205074768.db2.gz	QGERTPCJTWJYDY-UHFFFAOYSA-N	0	0	353.304	3.747	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc(Cl)cc2Cl)ncnc1-n1ccnc1	ZINC000040650286	205075736	/nfs/dbraw/zinc/07/57/36/205075736.db2.gz	MPSHIVXHVACZTN-UHFFFAOYSA-N	0	0	351.153	3.621	10	5		FHBERN
Cc1ccc(Nc2ncnc(Nc3cc(F)ccc3F)c2[N+](=O)[O-])nc1	ZINC000040660626	205075879	/nfs/dbraw/zinc/07/58/79/205075879.db2.gz	SOIQFBAQKOOTIR-UHFFFAOYSA-N	0	0	358.308	3.854	10	5		FHBERN
COc1ccc(Oc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040661631	205075901	/nfs/dbraw/zinc/07/59/01/205075901.db2.gz	INMWWJPAZOYUFA-UHFFFAOYSA-N	0	0	363.333	3.525	10	5		FHBERN
COc1ccccc1Nc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-]	ZINC000040648459	205076001	/nfs/dbraw/zinc/07/60/01/205076001.db2.gz	SSDUJVXAIJUFIS-UHFFFAOYSA-N	0	0	368.349	3.938	10	5		FHBERN
Cc1nc(CC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cs1	ZINC000054648053	205201864	/nfs/dbraw/zinc/20/18/64/205201864.db2.gz	UGWXORHDTZEDFJ-UHFFFAOYSA-N	0	0	360.420	3.664	10	5		FHBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H]1CCc2cc(Cl)ccc21	ZINC000108924064	206041205	/nfs/dbraw/zinc/04/12/05/206041205.db2.gz	CXNPSWIKSGYREK-CQSZACIVSA-N	0	0	366.826	3.522	10	5		FHBERN
O=[N+]([O-])c1cc(S(=O)(=O)Oc2cc(Cl)ccc2Cl)ccc1F	ZINC000226862767	206123733	/nfs/dbraw/zinc/12/37/33/206123733.db2.gz	KSYOWLFNLQRPAI-UHFFFAOYSA-N	0	0	366.153	3.808	10	5		FHBERN
O=[N+]([O-])c1cc(Cl)c(NC[C@H](CO)Cc2ccccn2)c(Cl)c1	ZINC000302038571	568162664	/nfs/dbraw/zinc/16/26/64/568162664.db2.gz	QLVMQQWKKRNZGG-SNVBAGLBSA-N	0	0	356.209	3.560	10	5		FHBERN
O=[N+]([O-])c1cnc2c(F)cc(I)cc2c1Cl	ZINC000584882209	571012640	/nfs/dbraw/zinc/01/26/40/571012640.db2.gz	UQIKOIXCPYCGOT-UHFFFAOYSA-N	0	0	352.490	3.540	10	5		FHBERN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1F	ZINC000226862678	209368618	/nfs/dbraw/zinc/36/86/18/209368618.db2.gz	GWIHWQFSWCMLCU-UHFFFAOYSA-N	0	0	364.276	3.554	10	5		FHBERN
O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1F	ZINC000226862864	209368742	/nfs/dbraw/zinc/36/87/42/209368742.db2.gz	CYWZBJUFDJYOMP-UHFFFAOYSA-N	0	0	365.169	3.842	10	5		FHBERN
COc1ccc2c(c1)N(C(C)C)C(=O)CC(c1ccc([N+](=O)[O-])cc1)=N2	ZINC000100898369	209218624	/nfs/dbraw/zinc/21/86/24/209218624.db2.gz	FURSHYRGZRIDRS-UHFFFAOYSA-N	0	0	353.378	3.869	10	5		FHBERN
O=C(c1ccc(OCC(F)(F)C(F)F)c([N+](=O)[O-])c1)N1CCCCC1	ZINC000004602665	207032700	/nfs/dbraw/zinc/03/27/00/207032700.db2.gz	PWSYIGWZWLSJQS-UHFFFAOYSA-N	0	0	364.295	3.500	10	5		FHBERN
Cc1ccc(NC(=O)COc2ccccc2Br)c([N+](=O)[O-])c1	ZINC000005698342	207113219	/nfs/dbraw/zinc/11/32/19/207113219.db2.gz	MNZANLROXOWGHG-UHFFFAOYSA-N	0	0	365.183	3.683	10	5		FHBERN
COc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC(=O)C(C)(C)C	ZINC000005726585	207114723	/nfs/dbraw/zinc/11/47/23/207114723.db2.gz	SLLYWSZHOXYFHN-AATRIKPKSA-N	0	0	358.188	3.657	10	5		FHBERN
COc1ccc(CCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000006128174	207130714	/nfs/dbraw/zinc/13/07/14/207130714.db2.gz	MTKSHACHWYKJMQ-UHFFFAOYSA-N	0	0	357.391	3.784	10	5		FHBERN
CCCOc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009696683	207282388	/nfs/dbraw/zinc/28/23/88/207282388.db2.gz	GQQQDGKCBWFKQA-UHFFFAOYSA-N	0	0	359.407	3.510	10	5		FHBERN
O=C(CCc1ccccc1Cl)NC(=S)Nc1cccc([N+](=O)[O-])c1	ZINC000010012706	207292063	/nfs/dbraw/zinc/29/20/63/207292063.db2.gz	FQQSDKQMHBJAFG-UHFFFAOYSA-N	0	0	363.826	3.694	10	5		FHBERN
CC(C)Oc1ccccc1NC(=S)NC(=O)c1ccc([N+](=O)[O-])cc1	ZINC000010123224	207294339	/nfs/dbraw/zinc/29/43/39/207294339.db2.gz	KDPRMQHPCKNFSI-UHFFFAOYSA-N	0	0	359.407	3.509	10	5		FHBERN
O=[N+]([O-])c1cc(-c2cn3nc(Br)sc3n2)ccc1Cl	ZINC000036939191	208173950	/nfs/dbraw/zinc/17/39/50/208173950.db2.gz	MINYFLALLMVIKV-UHFFFAOYSA-N	0	0	359.592	3.782	10	5		FHBERN
Cc1ccc(C(=O)N2CCC[C@@H](OCc3cccc([N+](=O)[O-])c3)C2)cc1	ZINC000036315205	208154428	/nfs/dbraw/zinc/15/44/28/208154428.db2.gz	DDOLPNKRAFKZPX-LJQANCHMSA-N	0	0	354.406	3.725	10	5		FHBERN
O=C(Oc1ccc(Cl)c2cccnc12)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000040165885	208242556	/nfs/dbraw/zinc/24/25/56/208242556.db2.gz	SSSJPIAAADTYGJ-UHFFFAOYSA-N	0	0	373.708	3.924	10	5		FHBERN
CCN(c1ccccc1)c1ncnc(NCc2cccnc2)c1[N+](=O)[O-]	ZINC000040573167	208256570	/nfs/dbraw/zinc/25/65/70/208256570.db2.gz	NJORUDVLPPXOKH-UHFFFAOYSA-N	0	0	350.382	3.550	10	5		FHBERN
CN(c1ccccc1)c1ncnc(NCc2ccc(F)cc2)c1[N+](=O)[O-]	ZINC000040625587	208258606	/nfs/dbraw/zinc/25/86/06/208258606.db2.gz	SOQYZTOANGMQIO-UHFFFAOYSA-N	0	0	353.357	3.904	10	5		FHBERN
O=[N+]([O-])c1c(Nc2cc(F)ccc2F)[nH]cnc1=NNc1ccccc1	ZINC000040624710	208259234	/nfs/dbraw/zinc/25/92/34/208259234.db2.gz	DEHVHLQMMCVFBV-UHFFFAOYSA-N	0	0	358.308	3.846	10	5		FHBERN
CCOc1ccccc1Nc1[nH]cnc(=NNc2ccccc2)c1[N+](=O)[O-]	ZINC000040624759	208259545	/nfs/dbraw/zinc/25/95/45/208259545.db2.gz	RAONDWIDOLYZAR-UHFFFAOYSA-N	0	0	366.381	3.966	10	5		FHBERN
COc1ccccc1Nc1ncnc(NCc2ccccc2)c1[N+](=O)[O-]	ZINC000040599341	208259686	/nfs/dbraw/zinc/25/96/86/208259686.db2.gz	NNWKCCMFKBVXTD-UHFFFAOYSA-N	0	0	351.366	3.749	10	5		FHBERN
CC(=O)Nc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040647942	208260348	/nfs/dbraw/zinc/26/03/48/208260348.db2.gz	JSVOXOQWIIEWPZ-UHFFFAOYSA-N	0	0	364.365	3.830	10	5		FHBERN
Cc1ccc(Nc2ncnc(Nc3ccc(F)c(F)c3)c2[N+](=O)[O-])nc1	ZINC000040660628	208261540	/nfs/dbraw/zinc/26/15/40/208261540.db2.gz	GWMGQSIRXMFRGC-UHFFFAOYSA-N	0	0	358.308	3.854	10	5		FHBERN
Cc1ccccc1Nc1nc2nccc(-c3cccc([N+](=O)[O-])c3)c2c(=O)[nH]1	ZINC000072440474	208863985	/nfs/dbraw/zinc/86/39/85/208863985.db2.gz	PUERUILPERAXIE-UHFFFAOYSA-N	0	0	373.372	3.945	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC[C@H](CCCOc2ncccc2[N+](=O)[O-])C1	ZINC000095085032	209020348	/nfs/dbraw/zinc/02/03/48/209020348.db2.gz	CFKNXYPBMCDLJF-CQSZACIVSA-N	0	0	365.430	3.796	10	5		FHBERN
O=[N+]([O-])c1c(NC23CC4CC(CC(C4)C2)C3)ncnc1N1CCCCC1	ZINC000040609497	132947183	/nfs/dbraw/zinc/94/71/83/132947183.db2.gz	OKFRPARYZJUENY-UHFFFAOYSA-N	0	0	357.458	3.756	10	5		FHBERN
O=C(CCC(=O)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1	ZINC000095572416	209080290	/nfs/dbraw/zinc/08/02/90/209080290.db2.gz	IAWSBFXQZDEYHC-UHFFFAOYSA-N	0	0	355.375	3.806	10	5		FHBERN
CCc1ccc([C@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)o1	ZINC000128571192	568010813	/nfs/dbraw/zinc/01/08/13/568010813.db2.gz	INNXGOVNLCECCD-QGZVFWFLSA-N	0	0	358.394	3.883	10	5		FHBERN
O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O	ZINC000003196890	571345408	/nfs/dbraw/zinc/34/54/08/571345408.db2.gz	WTPQLLSYWAKZKC-UHFFFAOYSA-N	0	0	372.336	3.626	10	5		FHBERN
CCCCc1ccc(NS(=O)(=O)c2ccc(F)c([N+](=O)[O-])c2)cc1	ZINC000226862837	209368032	/nfs/dbraw/zinc/36/80/32/209368032.db2.gz	YSFUZZYWVSLZDG-UHFFFAOYSA-N	0	0	352.387	3.877	10	5		FHBERN
Cc1ccc(NC(=O)COc2cccc(Br)c2)c([N+](=O)[O-])c1	ZINC000005698340	207113971	/nfs/dbraw/zinc/11/39/71/207113971.db2.gz	QFCBCKDNAWFWQD-UHFFFAOYSA-N	0	0	365.183	3.683	10	5		FHBERN
CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000010122848	207294283	/nfs/dbraw/zinc/29/42/83/207294283.db2.gz	XLRSZYPVTHYFTR-GFCCVEGCSA-N	0	0	373.434	3.899	10	5		FHBERN
O=c1c2ccccc2nc(/C=C\c2ccc([N+](=O)[O-])cc2)n1-c1ccccn1	ZINC000033405926	208090854	/nfs/dbraw/zinc/09/08/54/208090854.db2.gz	CBFITDAALUOZHA-RAXLEYEMSA-N	0	0	370.368	3.859	10	5		FHBERN
CCCCOc1cccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)c1	ZINC000073642552	208188571	/nfs/dbraw/zinc/18/85/71/208188571.db2.gz	CXVOOURRKAHYHX-UHFFFAOYSA-N	0	0	367.405	3.853	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1N1CCc2ccccc21	ZINC000040586125	208256587	/nfs/dbraw/zinc/25/65/87/208256587.db2.gz	WIWHSTZIBGRWQL-UHFFFAOYSA-N	0	0	351.341	3.962	10	5		FHBERN
Cc1ccc(CNc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624529	208258879	/nfs/dbraw/zinc/25/88/79/208258879.db2.gz	RMMBNIFAYDKJFC-UHFFFAOYSA-N	0	0	350.382	3.744	10	5		FHBERN
COc1ccccc1Oc1ncnc(N(C)c2ccccc2)c1[N+](=O)[O-]	ZINC000040625662	208259383	/nfs/dbraw/zinc/25/93/83/208259383.db2.gz	KNBBIBXCSAKRCE-UHFFFAOYSA-N	0	0	352.350	3.954	10	5		FHBERN
CC(C)Oc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-]	ZINC000040648290	208261203	/nfs/dbraw/zinc/26/12/03/208261203.db2.gz	XLEJJTQKNCJSRP-UHFFFAOYSA-N	0	0	353.176	3.678	10	5		FHBERN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccc(-c2ccc(Cl)cc2)[nH]c1=O	ZINC000072450762	208865576	/nfs/dbraw/zinc/86/55/76/208865576.db2.gz	VXVZAQBKTIYBDL-UHFFFAOYSA-N	0	0	369.764	3.856	10	5		FHBERN
C[C@H](OC(=O)NCCc1c[nH]c2ccc(O)cc12)c1ccccc1[N+](=O)[O-]	ZINC000098052563	209201828	/nfs/dbraw/zinc/20/18/28/209201828.db2.gz	KUEQXJVRVDFKJY-LBPRGKRZSA-N	0	0	369.377	3.812	10	5	in-vitro	FHBERN
CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000010121922	207294336	/nfs/dbraw/zinc/29/43/36/207294336.db2.gz	ISDVKULIYJWSFK-LBPRGKRZSA-N	0	0	373.434	3.899	10	5		FHBERN
CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000010121727	207294886	/nfs/dbraw/zinc/29/48/86/207294886.db2.gz	ICGPFUVUMCDWBP-UHFFFAOYSA-N	0	0	373.434	3.756	10	5		FHBERN
CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000010122849	207295236	/nfs/dbraw/zinc/29/52/36/207295236.db2.gz	XLRSZYPVTHYFTR-LBPRGKRZSA-N	0	0	373.434	3.899	10	5		FHBERN
Cc1cc(=O)c2cc(C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)ccc2[nH]1	ZINC000032605949	208034744	/nfs/dbraw/zinc/03/47/44/208034744.db2.gz	FUVAWDJPNJGZNB-UHFFFAOYSA-N	0	0	357.753	3.650	10	5		FHBERN
CCOc1ccc(CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OC	ZINC000041000021	208277925	/nfs/dbraw/zinc/27/79/25/208277925.db2.gz	SQCHJOZIIYJADF-UHFFFAOYSA-N	0	0	374.393	3.582	10	5		FHBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2c(C)c(Cl)ccc2c1O	ZINC000040359406	208249015	/nfs/dbraw/zinc/24/90/15/208249015.db2.gz	YFKRIIXXZDYYAY-UHFFFAOYSA-N	0	0	371.780	3.959	10	5		FHBERN
COc1cccc(Nc2ncnc(Nc3ccccc3OC)c2[N+](=O)[O-])c1	ZINC000040586850	208256910	/nfs/dbraw/zinc/25/69/10/208256910.db2.gz	NNRJPBYAHXEIBA-UHFFFAOYSA-N	0	0	367.365	3.889	10	5		FHBERN
CC(C)CN(CC(C)C)c1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-]	ZINC000040614024	208258402	/nfs/dbraw/zinc/25/84/02/208258402.db2.gz	ZNXUCPFOUUWTQV-UHFFFAOYSA-N	0	0	368.441	3.842	10	5		FHBERN
CN(C)c1ccc(/C=C\c2nc3c(cc([N+](=O)[O-])cc3[N+](=O)[O-])s2)o1	ZINC000039126732	208286708	/nfs/dbraw/zinc/28/67/08/208286708.db2.gz	HBWNRHFZYWHKIG-HYXAFXHYSA-N	0	0	360.351	3.942	10	5		FHBERN
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1ccc([N+](=O)[O-])cc1	ZINC000047157671	208372000	/nfs/dbraw/zinc/37/20/00/208372000.db2.gz	MIZRWNZUXKDSRC-UHFFFAOYSA-N	0	0	352.350	3.767	10	5		FHBERN
CCOC(=O)c1cnc2nc(C)ccc2c1Nc1cccc([N+](=O)[O-])c1	ZINC000047157871	208372500	/nfs/dbraw/zinc/37/25/00/208372500.db2.gz	MFXBRRFNDDJNBN-UHFFFAOYSA-N	0	0	352.350	3.767	10	5		FHBERN
O=[N+]([O-])c1ccc(Br)c(Br)c1Br	ZINC000095932991	209087381	/nfs/dbraw/zinc/08/73/81/209087381.db2.gz	PFIPDHZFOSAFIU-UHFFFAOYSA-N	0	0	359.799	3.882	10	5		FHBERN
CC1CCN(c2ccc(N3C(=O)[C@@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])CC1	ZINC000101639958	132233947	/nfs/dbraw/zinc/23/39/47/132233947.db2.gz	HJMJIVPQGABPAV-IYBDPMFKSA-N	0	0	371.437	3.511	10	5		FHBERN
CCc1ccc([C@@H]2CCCCN2C(=O)COc2ccccc2[N+](=O)[O-])o1	ZINC000128617017	568086941	/nfs/dbraw/zinc/08/69/41/568086941.db2.gz	PLLYDZVUBWGCPR-HNNXBMFYSA-N	0	0	358.394	3.883	10	5		FHBERN
CC(=O)c1ccc(Oc2cccc(S(C)(=O)=O)c2[N+](=O)[O-])c(Cl)c1	ZINC000120384187	568240052	/nfs/dbraw/zinc/24/00/52/568240052.db2.gz	AJPRHXOPTNNZTB-UHFFFAOYSA-N	0	0	369.782	3.647	10	5		FHBERN
CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1	ZINC000226337492	209366897	/nfs/dbraw/zinc/36/68/97/209366897.db2.gz	AOKBLIGLYZDXKG-YRNVUSSQSA-N	0	0	357.362	3.759	10	5		FHBERN
CCC(=O)Oc1ccc(/C=C/c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1OC	ZINC000005524283	207103750	/nfs/dbraw/zinc/10/37/50/207103750.db2.gz	RUOXDKXMMODRCV-GQCTYLIASA-N	0	0	372.333	3.997	10	5		FHBERN
COc1ccc(/C=C/C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1	ZINC000005744331	207115469	/nfs/dbraw/zinc/11/54/69/207115469.db2.gz	OVDLGKXSYKMEMN-RUDMXATFSA-N	0	0	355.375	3.865	10	5		FHBERN
CCCOc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000009696654	207283077	/nfs/dbraw/zinc/28/30/77/207283077.db2.gz	JEVKLCQRTNJCTN-UHFFFAOYSA-N	0	0	359.407	3.510	10	5		FHBERN
CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)cc1	ZINC000010121921	207294400	/nfs/dbraw/zinc/29/44/00/207294400.db2.gz	ISDVKULIYJWSFK-GFCCVEGCSA-N	0	0	373.434	3.899	10	5		FHBERN
O=C(c1cc(Cl)cc(Cl)c1)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642253	208188963	/nfs/dbraw/zinc/18/89/63/208188963.db2.gz	LMYXDVAYXOLLCY-UHFFFAOYSA-N	0	0	364.188	3.981	10	5		FHBERN
CCOc1ccc(CCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC	ZINC000041000025	208279126	/nfs/dbraw/zinc/27/91/26/208279126.db2.gz	LEFYETVUEGLDJO-UHFFFAOYSA-N	0	0	358.394	3.882	10	5		FHBERN
CCN(CC)c1ncnc(Nc2cc(Cl)ccc2OC)c1[N+](=O)[O-]	ZINC000040589480	208259142	/nfs/dbraw/zinc/25/91/42/208259142.db2.gz	HJVLJHVPAXGLFF-UHFFFAOYSA-N	0	0	351.794	3.637	10	5		FHBERN
COc1ccc(Nc2ncnc(N3CCCCCC3)c2[N+](=O)[O-])c(OC)c1	ZINC000040610008	208259200	/nfs/dbraw/zinc/25/92/00/208259200.db2.gz	INHODMIRYSJERY-UHFFFAOYSA-N	0	0	373.413	3.526	10	5		FHBERN
Cc1ccc(Cl)cc1Nc1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040592917	208259446	/nfs/dbraw/zinc/25/94/46/208259446.db2.gz	WQEFGLDAHRDLNJ-UHFFFAOYSA-N	0	0	350.810	3.805	10	5		FHBERN
COc1ccc(Nc2ncnc(Nc3ccccc3OC)c2[N+](=O)[O-])cc1	ZINC000040648361	208260482	/nfs/dbraw/zinc/26/04/82/208260482.db2.gz	QYAKWMFLKYIYMB-UHFFFAOYSA-N	0	0	367.365	3.889	10	5		FHBERN
COc1ccccc1Oc1ncnc(Oc2ccccc2OC)c1[N+](=O)[O-]	ZINC000040661614	208261925	/nfs/dbraw/zinc/26/19/25/208261925.db2.gz	AOAPCRYOHNXAAN-UHFFFAOYSA-N	0	0	369.333	3.987	10	5		FHBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cnc2cc(Cl)ccc2c1O	ZINC000041056039	208281064	/nfs/dbraw/zinc/28/10/64/208281064.db2.gz	WKYXENZMEBUFIV-UHFFFAOYSA-N	0	0	357.753	3.650	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC[C@@H]1COc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000095085871	209019447	/nfs/dbraw/zinc/01/94/47/209019447.db2.gz	HJTPPJGEXQGOOY-GFCCVEGCSA-N	0	0	363.370	3.514	10	5		FHBERN
CC1CCN(c2ccc(N3C(=O)[C@H]4CCCC[C@@H]4C3=O)cc2[N+](=O)[O-])CC1	ZINC000101639961	132234079	/nfs/dbraw/zinc/23/40/79/132234079.db2.gz	HJMJIVPQGABPAV-HOTGVXAUSA-N	0	0	371.437	3.511	10	5		FHBERN
O=[N+]([O-])c1ccc(CO)cc1NC[C@H](O)c1ccc(Cl)cc1Cl	ZINC000302033068	567917026	/nfs/dbraw/zinc/91/70/26/567917026.db2.gz	KWGXVAUKSVUGQZ-HNNXBMFYSA-N	0	0	357.193	3.539	10	5		FHBERN
Nc1ccc(Br)cc1C(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000123873190	209888434	/nfs/dbraw/zinc/88/84/34/209888434.db2.gz	OOPKHHOZPRHRII-UHFFFAOYSA-N	0	0	370.590	3.845	10	5		FHBERN
CS(=O)(=O)Nc1ccc(Nc2c3ccccc3nc3cnccc32)cc1	ZINC000005138686	207082853	/nfs/dbraw/zinc/08/28/53/207082853.db2.gz	JMHPKRCWQJFXNS-UHFFFAOYSA-N	0	0	364.430	3.898	10	5		FHBERN
Cc1sc2[nH]c([C@@H](C)Oc3cc(F)ccc3[N+](=O)[O-])nc(=O)c2c1C	ZINC000006972371	207181094	/nfs/dbraw/zinc/18/10/94/207181094.db2.gz	HSTJUTFQDCQFRC-MRVPVSSYSA-N	0	0	363.370	3.789	10	5		FHBERN
CCN(C(=S)NC(=O)C=Cc1cccc([N+](=O)[O-])c1)c1ccccc1	ZINC000010012103	207291585	/nfs/dbraw/zinc/29/15/85/207291585.db2.gz	JSKPITDHBXWZKZ-VAWYXSNFSA-N	0	0	355.419	3.536	10	5		FHBERN
CC(C)Oc1ccccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1	ZINC000010123196	207294840	/nfs/dbraw/zinc/29/48/40/207294840.db2.gz	VOLNYGXVJPDNKV-UHFFFAOYSA-N	0	0	359.407	3.509	10	5		FHBERN
CCN(c1cccc(C)c1)c1ncnc(NCc2cccnc2)c1[N+](=O)[O-]	ZINC000040572165	208255973	/nfs/dbraw/zinc/25/59/73/208255973.db2.gz	ZBXSVQHAIYBQFH-UHFFFAOYSA-N	0	0	364.409	3.858	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1Nc1ccc2c(c1)OCO2	ZINC000040584270	208257701	/nfs/dbraw/zinc/25/77/01/208257701.db2.gz	QXHISUZBHCACDO-UHFFFAOYSA-N	0	0	369.312	3.740	10	5		FHBERN
COc1ccc(Cl)cc1Nc1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040589768	208258446	/nfs/dbraw/zinc/25/84/46/208258446.db2.gz	JQQIJBXGYDFCDX-UHFFFAOYSA-N	0	0	366.809	3.505	10	5		FHBERN
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1NC12CC3CC(CC(C3)C1)C2	ZINC000040621463	208259481	/nfs/dbraw/zinc/25/94/81/208259481.db2.gz	SUCZCAMNFMHDLC-UHFFFAOYSA-N	0	0	366.425	3.904	10	5		FHBERN
O=[N+]([O-])c1c(Nc2cccnc2)ncnc1Nc1cccc2cccnc21	ZINC000040626156	208259695	/nfs/dbraw/zinc/25/96/95/208259695.db2.gz	QLOGOYYXBGSELN-UHFFFAOYSA-N	0	0	359.349	3.815	10	5		FHBERN
Cc1ccc(Nc2ncnc(Nc3ccc(F)cc3F)c2[N+](=O)[O-])nc1	ZINC000040660627	208260741	/nfs/dbraw/zinc/26/07/41/208260741.db2.gz	VMPLYLNMHDYZEN-UHFFFAOYSA-N	0	0	358.308	3.854	10	5		FHBERN
Cc1ccc(CNc2ncnc(-n3cnc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040650777	208260878	/nfs/dbraw/zinc/26/08/78/208260878.db2.gz	OYDJEBRSRBGVSG-UHFFFAOYSA-N	0	0	360.377	3.644	10	5		FHBERN
O=[N+]([O-])c1c(NC(c2ccccc2)c2ccccc2)ncnc1-n1ccnc1	ZINC000040650678	208261024	/nfs/dbraw/zinc/26/10/24/208261024.db2.gz	SBRBODUAOYKWTJ-UHFFFAOYSA-N	0	0	372.388	3.772	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccccc2F)ncnc1-n1cnc2ccccc21	ZINC000040627879	208261739	/nfs/dbraw/zinc/26/17/39/208261739.db2.gz	NPJYFYZCTKCHHY-UHFFFAOYSA-N	0	0	350.313	3.606	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC[C@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1	ZINC000095084496	209020442	/nfs/dbraw/zinc/02/04/42/209020442.db2.gz	WPVAUGCWUYJDDA-LBPRGKRZSA-N	0	0	363.370	3.514	10	5		FHBERN
Cc1csc([C@@H]2CN(c3c(C)cc([N+](=O)[O-])cc3Cl)CCO2)n1	ZINC000302719359	568126107	/nfs/dbraw/zinc/12/61/07/568126107.db2.gz	ZJLNOSNYKJWLNI-ZDUSSCGKSA-N	0	0	353.831	3.899	10	5		FHBERN
COC(=O)/C=C/c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1	ZINC000085346869	571274699	/nfs/dbraw/zinc/27/46/99/571274699.db2.gz	HOUDYRSYHKULSR-QPJJXVBHSA-N	0	0	352.140	3.804	10	5		FHBERN
C[C@@H](O)c1ccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1	ZINC000226273676	571276320	/nfs/dbraw/zinc/27/63/20/571276320.db2.gz	AMGJJUFKNXDGMF-SECBINFHSA-N	0	0	365.183	3.663	10	5		FHBERN
O=C(CN1CCC(Cc2ccc(F)cc2)CC1)Nc1ccc([N+](=O)[O-])cc1	ZINC000143034999	209380407	/nfs/dbraw/zinc/38/04/07/209380407.db2.gz	MVJOXYLTVBZFEP-UHFFFAOYSA-N	0	0	371.412	3.627	10	5		FHBERN
C[C@H](NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)c1cccc(Cl)c1	ZINC000107512595	209277515	/nfs/dbraw/zinc/27/75/15/209277515.db2.gz	VFESGZIJNQLROJ-LBPRGKRZSA-N	0	0	370.796	3.925	10	5		FHBERN
CCCCOc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000009696569	207282652	/nfs/dbraw/zinc/28/26/52/207282652.db2.gz	OPYVOZFVILQCEM-UHFFFAOYSA-N	0	0	373.434	3.901	10	5		FHBERN
Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(OC(C)C)c1	ZINC000010122451	207294459	/nfs/dbraw/zinc/29/44/59/207294459.db2.gz	YCROJZVNBIUWDY-UHFFFAOYSA-N	0	0	373.434	3.817	10	5		FHBERN
Cc1c(NC(=S)NC(=O)c2cccc(OC(C)C)c2)cccc1[N+](=O)[O-]	ZINC000010122453	207295317	/nfs/dbraw/zinc/29/53/17/207295317.db2.gz	UWKPROJYCRFFOA-UHFFFAOYSA-N	0	0	373.434	3.817	10	5		FHBERN
CC(C)Oc1cccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)c1	ZINC000010156256	207295825	/nfs/dbraw/zinc/29/58/25/207295825.db2.gz	ANLCHDGKGWICJB-UHFFFAOYSA-N	0	0	359.407	3.509	10	5		FHBERN
Cc1ccc([C@@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1	ZINC000037976474	207784021	/nfs/dbraw/zinc/78/40/21/207784021.db2.gz	GQNVHECYVONSED-SECBINFHSA-N	0	0	353.172	3.750	10	5		FHBERN
O=C(COc1ccc([N+](=O)[O-])cc1)Oc1ccc(Cl)c2cccnc12	ZINC000032814035	208045403	/nfs/dbraw/zinc/04/54/03/208045403.db2.gz	FDVOHQHGLWGEAA-UHFFFAOYSA-N	0	0	358.737	3.781	10	5		FHBERN
Cc1cccc(Nc2ncnc(Nc3ccc4c(c3)OCO4)c2[N+](=O)[O-])c1	ZINC000040584253	208256536	/nfs/dbraw/zinc/25/65/36/208256536.db2.gz	YOXYNUUGKFHNIX-UHFFFAOYSA-N	0	0	365.349	3.909	10	5		FHBERN
CCCCNc1ncnc(Nc2ccccc2C(=O)OCC)c1[N+](=O)[O-]	ZINC000040595486	208257913	/nfs/dbraw/zinc/25/79/13/208257913.db2.gz	VSHSPCNVSDMIRA-UHFFFAOYSA-N	0	0	359.386	3.517	10	5		FHBERN
CN(C)c1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]	ZINC000040608415	208258202	/nfs/dbraw/zinc/25/82/02/208258202.db2.gz	YHTWXZXRRXNYOA-UHFFFAOYSA-N	0	0	350.382	3.616	10	5		FHBERN
Cc1ccc2cccc(Oc3ncnc(N4CCCC4)c3[N+](=O)[O-])c2n1	ZINC000040608941	208258365	/nfs/dbraw/zinc/25/83/65/208258365.db2.gz	GGVFZEBFWLIQPO-UHFFFAOYSA-N	0	0	351.366	3.634	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc(C(F)(F)F)cc2)ncnc1N1CCCC1	ZINC000040609296	208259748	/nfs/dbraw/zinc/25/97/48/208259748.db2.gz	QMFASLDIFDCYMH-UHFFFAOYSA-N	0	0	353.304	3.747	10	5		FHBERN
CCOc1ncnc(N(Cc2ccccc2)c2ccccn2)c1[N+](=O)[O-]	ZINC000040659601	208261251	/nfs/dbraw/zinc/26/12/51/208261251.db2.gz	KWBYRFHVOUOYDF-UHFFFAOYSA-N	0	0	351.366	3.517	10	5		FHBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cn(C)c2ccc(Cl)cc2c1=O	ZINC000041056764	208281153	/nfs/dbraw/zinc/28/11/53/208281153.db2.gz	CWGTVFQMDKJTCZ-UHFFFAOYSA-N	0	0	371.780	3.661	10	5		FHBERN
CCc1nc2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2n1	ZINC000047154779	208372833	/nfs/dbraw/zinc/37/28/33/208372833.db2.gz	ICVWHJWIJZQKED-PDGQHHTCSA-N	0	0	357.438	3.568	10	5		FHBERN
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1ncccc1[N+](=O)[O-]	ZINC000095086340	209019910	/nfs/dbraw/zinc/01/99/10/209019910.db2.gz	QCMKDLMPQAVHMC-CYBMUJFWSA-N	0	0	351.403	3.548	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC(CCCOc2ncccc2[N+](=O)[O-])CC1	ZINC000095083707	209020344	/nfs/dbraw/zinc/02/03/44/209020344.db2.gz	CUODHLDUQDGPQH-UHFFFAOYSA-N	0	0	365.430	3.796	10	5		FHBERN
O=c1[nH]c2ccccc2c2cc3c(cc12)O[C@@H](Cc1ccc(O)cc1)CO3	ZINC000000899994	291078839	/nfs/dbraw/zinc/07/88/39/291078839.db2.gz	XFYYJHYSDXQMAE-HNNXBMFYSA-N	0	0	359.381	3.769	10	5	biogenic,in-vitro	FHBERN
CNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Br)c1	ZINC000016202852	220179777	/nfs/dbraw/zinc/17/97/77/220179777.db2.gz	INMBMNVGPGTKLO-UHFFFAOYSA-N	0	0	350.172	3.651	10	5		FHBERN
COc1ccc(OC)c(/C=C/C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c1	ZINC000019164207	207644205	/nfs/dbraw/zinc/64/42/05/207644205.db2.gz	WSHFQOTVJQHKRB-FPYGCLRLSA-N	0	0	362.769	3.917	10	5		FHBERN
COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]	ZINC000033607496	208096207	/nfs/dbraw/zinc/09/62/07/208096207.db2.gz	BVBSCSYCFCDVEU-UHFFFAOYSA-N	0	0	369.160	3.941	10	5		FHBERN
O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(I)cc1	ZINC000037302602	208178492	/nfs/dbraw/zinc/17/84/92/208178492.db2.gz	TZKRYFWKWCQIBZ-UHFFFAOYSA-N	0	0	369.114	3.804	10	5		FHBERN
O=C(c1cccc(Cl)c1Cl)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642255	208187709	/nfs/dbraw/zinc/18/77/09/208187709.db2.gz	BTHWNKXBDRONNR-UHFFFAOYSA-N	0	0	364.188	3.981	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc3c(c2)OCO3)ncnc1Nc1ccccc1F	ZINC000040584195	208257285	/nfs/dbraw/zinc/25/72/85/208257285.db2.gz	POMYEQKVOKEBCE-UHFFFAOYSA-N	0	0	369.312	3.740	10	5		FHBERN
CCN(CC)c1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040608066	208258110	/nfs/dbraw/zinc/25/81/10/208258110.db2.gz	KNFCOIOLDNXNJY-UHFFFAOYSA-N	0	0	366.219	3.737	10	5		FHBERN
COc1ccc(Nc2[nH]cnc(=NNc3ccccc3)c2[N+](=O)[O-])cc1	ZINC000040624495	208258308	/nfs/dbraw/zinc/25/83/08/208258308.db2.gz	ONOCLCIVASWVMJ-UHFFFAOYSA-N	0	0	352.354	3.576	10	5		FHBERN
CC(C)Nc1ncnc(Nc2ccccc2Br)c1[N+](=O)[O-]	ZINC000040597522	208258563	/nfs/dbraw/zinc/25/85/63/208258563.db2.gz	UENNIRGTXIRWNT-UHFFFAOYSA-N	0	0	352.192	3.711	10	5		FHBERN
COc1ccc(OC)c(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c1	ZINC000040619426	208258598	/nfs/dbraw/zinc/25/85/98/208258598.db2.gz	QQGNTGFSEVVZGR-UHFFFAOYSA-N	0	0	367.365	3.889	10	5		FHBERN
Cc1cc(C)n(-c2ncnc(Sc3ccc(Cl)cc3)c2[N+](=O)[O-])n1	ZINC000040607885	208259180	/nfs/dbraw/zinc/25/91/80/208259180.db2.gz	CANLQICXWLABRO-UHFFFAOYSA-N	0	0	361.814	3.992	10	5		FHBERN
CCCCN(C)c1ncnc(Nc2ccccc2C(=O)OCC)c1[N+](=O)[O-]	ZINC000040612135	208259335	/nfs/dbraw/zinc/25/93/35/208259335.db2.gz	ZPDIBVMQOVRDQK-UHFFFAOYSA-N	0	0	373.413	3.541	10	5		FHBERN
COc1cc(OC)c(Nc2ncnc(OC(C)C)c2[N+](=O)[O-])cc1Cl	ZINC000040659662	208261114	/nfs/dbraw/zinc/26/11/14/208261114.db2.gz	FRXBLFXSWBSMJS-UHFFFAOYSA-N	0	0	368.777	3.586	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccccc2)ncnc1Nc1ccc2c(c1)OCCO2	ZINC000040646101	208261690	/nfs/dbraw/zinc/26/16/90/208261690.db2.gz	PELAXKYPGIEUMP-UHFFFAOYSA-N	0	0	365.349	3.643	10	5		FHBERN
COc1ccc(Nc2ncnc(Nc3ccc(C)cn3)c2[N+](=O)[O-])cc1	ZINC000040649517	208261987	/nfs/dbraw/zinc/26/19/87/208261987.db2.gz	SROOTGJQNSURPM-UHFFFAOYSA-N	0	0	352.354	3.584	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC(Oc2nc3cc([N+](=O)[O-])ccc3o2)CC1	ZINC000095083562	209020124	/nfs/dbraw/zinc/02/01/24/209020124.db2.gz	OTJRNZFZUHBZDG-UHFFFAOYSA-N	0	0	363.370	3.514	10	5		FHBERN
O=[N+]([O-])c1cccc(-c2ncnn2-c2ccc(Br)cc2F)c1	ZINC000000757927	568189507	/nfs/dbraw/zinc/18/95/07/568189507.db2.gz	CLDYVAOVZIAGHF-UHFFFAOYSA-N	0	0	363.146	3.744	10	5		FHBERN
CC1CCN(c2ccc(N3C(=O)[C@@H]4CCCC[C@H]4C3=O)cc2[N+](=O)[O-])CC1	ZINC000013139534	571258309	/nfs/dbraw/zinc/25/83/09/571258309.db2.gz	HJMJIVPQGABPAV-HZPDHXFCSA-N	0	0	371.437	3.511	10	5		FHBERN
CCOC(=O)c1sc(Br)nc1Cc1cccc([N+](=O)[O-])c1	ZINC000098177735	209205432	/nfs/dbraw/zinc/20/54/32/209205432.db2.gz	QXBLBPKATYFIOY-UHFFFAOYSA-N	0	0	371.212	3.581	10	5		FHBERN
CCCC(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)c(OC)c(OC)c21	ZINC000005524552	207103902	/nfs/dbraw/zinc/10/39/02/207103902.db2.gz	XLUXLKTUSVARQY-UHFFFAOYSA-N	0	0	372.373	3.678	10	5		FHBERN
COc1ccc(C(=O)CO[P@](C)(=O)Oc2ccc([N+](=O)[O-])cc2)cc1	ZINC000005733209	207114732	/nfs/dbraw/zinc/11/47/32/207114732.db2.gz	CXUJPWFLLYPAPA-VWLOTQADSA-N	0	0	365.278	3.705	10	5		FHBERN
Cc1cccc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1C	ZINC000010012173	207292083	/nfs/dbraw/zinc/29/20/83/207292083.db2.gz	DAKRZHUNFHECNZ-MDZDMXLPSA-N	0	0	355.419	3.738	10	5		FHBERN
COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1	ZINC000010012364	207292330	/nfs/dbraw/zinc/29/23/30/207292330.db2.gz	XBBZXHFAWKTULX-UHFFFAOYSA-N	0	0	373.434	3.854	10	5		FHBERN
COc1ccc(-c2ccc(C(=O)Nc3ncccc3C)o2)c([N+](=O)[O-])c1	ZINC000040374508	208248487	/nfs/dbraw/zinc/24/84/87/208248487.db2.gz	KPYPPSQFQHPFFR-UHFFFAOYSA-N	0	0	353.334	3.819	10	5		FHBERN
COc1cccc(Nc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])c1	ZINC000040586041	208257373	/nfs/dbraw/zinc/25/73/73/208257373.db2.gz	IWVGKXDRDAWSKD-UHFFFAOYSA-N	0	0	363.377	3.831	10	5		FHBERN
COc1ccc(Cl)cc1Nc1ncnc(-n2nc(C)cc2C)c1[N+](=O)[O-]	ZINC000040589886	208258255	/nfs/dbraw/zinc/25/82/55/208258255.db2.gz	YSXLRFWLTWTLKJ-UHFFFAOYSA-N	0	0	374.788	3.593	10	5		FHBERN
CC(C)(C)NN=c1nc[nH]c(Nc2ccccc2C(F)(F)F)c1[N+](=O)[O-]	ZINC000040588876	208258267	/nfs/dbraw/zinc/25/82/67/208258267.db2.gz	BJGYHQRVBIIVOH-UHFFFAOYSA-N	0	0	370.335	3.862	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2F)[nH]cnc1=NNc1ccccc1	ZINC000040624713	208258389	/nfs/dbraw/zinc/25/83/89/208258389.db2.gz	YEBMVYFFXNDJPD-UHFFFAOYSA-N	0	0	358.308	3.846	10	5		FHBERN
O=[N+]([O-])c1c(Oc2cccnc2)ncnc1Oc1cccc2cccnc21	ZINC000040618522	208259312	/nfs/dbraw/zinc/25/93/12/208259312.db2.gz	YLSRBVBXENYYBE-UHFFFAOYSA-N	0	0	361.317	3.913	10	5		FHBERN
Cc1c(Cl)cccc1Nc1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040588538	208259723	/nfs/dbraw/zinc/25/97/23/208259723.db2.gz	AYBCQVRIOLAOCL-UHFFFAOYSA-N	0	0	350.810	3.805	10	5		FHBERN
CCCc1nc2s/c(=C\c3c4ccccc4cc4ccccc43)c(=O)n2n1	ZINC000047154872	208372019	/nfs/dbraw/zinc/37/20/19/208372019.db2.gz	KDPLVMXSZVUUGY-UYRXBGFRSA-N	0	0	371.465	3.958	10	5		FHBERN
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCCOc1ncccc1[N+](=O)[O-]	ZINC000095086236	209019477	/nfs/dbraw/zinc/01/94/77/209019477.db2.gz	PHXQFTSIAPWKRQ-CQSZACIVSA-N	0	0	365.430	3.938	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC[C@H]1COc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000095085872	209020439	/nfs/dbraw/zinc/02/04/39/209020439.db2.gz	HJTPPJGEXQGOOY-LBPRGKRZSA-N	0	0	363.370	3.514	10	5		FHBERN
CC(C)(C)OC(=O)N1CCCC[C@H]1CSc1ccc([N+](=O)[O-])cn1	ZINC000085333018	518803462	/nfs/dbraw/zinc/80/34/62/518803462.db2.gz	WUMCYKVRAGCHMJ-ZDUSSCGKSA-N	0	0	353.444	3.872	10	5		FHBERN
COc1cccc2c1Sc1ccccc1C[C@H]2N1CC[N+](C)([O-])CC1	ZINC000033824112	717121859	/nfs/dbraw/zinc/12/18/59/717121859.db2.gz	QJHRVHCJLKCCPE-QGZVFWFLSA-N	0	0	356.491	3.704	10	5		FHBERN
C[C@H](O)c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000226274771	210176668	/nfs/dbraw/zinc/17/66/68/210176668.db2.gz	ZFMLGXQABPNTAX-VIFPVBQESA-N	0	0	365.183	3.663	10	5		FHBERN
O=[N+]([O-])c1c(NCc2ccco2)ncnc1Oc1cccc2cccnc21	ZINC000040618434	211751702	/nfs/dbraw/zinc/75/17/02/211751702.db2.gz	DSHGRSXKUIQWQT-UHFFFAOYSA-N	0	0	363.333	3.930	10	5		FHBERN
COc1ccc(Nc2ncnc(Oc3ccccc3)c2[N+](=O)[O-])c(OC)c1	ZINC000040619649	211750653	/nfs/dbraw/zinc/75/06/53/211750653.db2.gz	FABZMFBOTNLKCP-UHFFFAOYSA-N	0	0	368.349	3.938	10	5		FHBERN
Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)C(C)C	ZINC000069097689	221321609	/nfs/dbraw/zinc/32/16/09/221321609.db2.gz	AEEXZWQNANNRQX-SFHVURJKSA-N	0	0	369.421	3.605	10	5		FHBERN
C[C@@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl	ZINC000128742291	568234823	/nfs/dbraw/zinc/23/48/23/568234823.db2.gz	KNZSZPUCQJLCPQ-SNVBAGLBSA-N	0	0	372.805	3.568	10	5		FHBERN
CC[C@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](CC)O1	ZINC000725263976	570538648	/nfs/dbraw/zinc/53/86/48/570538648.db2.gz	YUUJCSZYPSLYCC-RYUDHWBXSA-N	0	0	357.248	3.747	10	5		FHBERN
CC(C)c1[nH]nc(I)c1-c1ccc([N+](=O)[O-])cc1	ZINC000675076656	571272789	/nfs/dbraw/zinc/27/27/89/571272789.db2.gz	PVYXJOQFXUCNMO-UHFFFAOYSA-N	0	0	357.151	3.713	10	5		FHBERN
O=[N+]([O-])c1cc(Br)cc(Cl)c1I	ZINC000226320910	222883845	/nfs/dbraw/zinc/88/38/45/222883845.db2.gz	LIPSEMXOAFJAFK-UHFFFAOYSA-N	0	0	362.348	3.615	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc3c(c2)OCO3)ncnc1NC1CCCCC1	ZINC000040584114	211750180	/nfs/dbraw/zinc/75/01/80/211750180.db2.gz	JWMPMBBNBUTQJZ-UHFFFAOYSA-N	0	0	357.370	3.602	10	5		FHBERN
COc1ccc(C)cc1Nc1ncnc(N2CCCCCC2)c1[N+](=O)[O-]	ZINC000040583885	211749364	/nfs/dbraw/zinc/74/93/64/211749364.db2.gz	XSGLFKIIMFTMDK-UHFFFAOYSA-N	0	0	357.414	3.826	10	5		FHBERN
O=[N+]([O-])c1cc(CNCc2ccc(Br)s2)c(F)cc1F	ZINC000038018319	211354926	/nfs/dbraw/zinc/35/49/26/211354926.db2.gz	GQYGGFNJHRAMGJ-UHFFFAOYSA-N	0	0	363.183	3.987	10	5		FHBERN
CCCOc1cccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])c1	ZINC000009696648	210848509	/nfs/dbraw/zinc/84/85/09/210848509.db2.gz	NNANSWIJDRKUQX-UHFFFAOYSA-N	0	0	359.407	3.510	10	5		FHBERN
CCOc1ccc(/C=C/C(=O)Nc2ccc([N+](=O)[O-])cc2C)cc1OC	ZINC000005713707	210638854	/nfs/dbraw/zinc/63/88/54/210638854.db2.gz	VSDFABAAZPZICO-UXBLZVDNSA-N	0	0	356.378	3.962	10	5		FHBERN
CN(c1ccccc1)c1ncnc(N2CCc3ccccc3C2)c1[N+](=O)[O-]	ZINC000040625335	132947990	/nfs/dbraw/zinc/94/79/90/132947990.db2.gz	HOLIAVCMAZGTFM-UHFFFAOYSA-N	0	0	361.405	3.715	10	5		FHBERN
CCOC(=O)c1sc(Br)nc1Cc1ccc([N+](=O)[O-])cc1	ZINC000098177737	222229981	/nfs/dbraw/zinc/22/99/81/222229981.db2.gz	FKNJBGXUZGXJBD-UHFFFAOYSA-N	0	0	371.212	3.581	10	5		FHBERN
CC[C@@H](NC(=O)N(C)C[C@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1	ZINC000181921097	568196707	/nfs/dbraw/zinc/19/67/07/568196707.db2.gz	DHZANVUBALIMOR-SWLSCSKDSA-N	0	0	362.455	3.948	10	5		FHBERN
C[C@H](NS(=O)(=O)Cc1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1Cl	ZINC000128742102	568234793	/nfs/dbraw/zinc/23/47/93/568234793.db2.gz	KNZSZPUCQJLCPQ-JTQLQIEISA-N	0	0	372.805	3.568	10	5		FHBERN
COCCCNC(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1	ZINC000003020172	571343572	/nfs/dbraw/zinc/34/35/72/571343572.db2.gz	AQWANDLJWJXRNK-UHFFFAOYSA-N	0	0	364.398	3.651	10	5		FHBERN
CCOC(=O)Nc1cc(Nc2ccc(Cl)cc2)c([N+](=O)[O-])c(N)n1	ZINC000031670229	210246486	/nfs/dbraw/zinc/24/64/86/210246486.db2.gz	AQJCXYDHXZXWPY-UHFFFAOYSA-N	0	0	351.750	3.537	10	5		FHBERN
Cc1ccc([C@H](C)NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)o1	ZINC000037976475	211326848	/nfs/dbraw/zinc/32/68/48/211326848.db2.gz	GQNVHECYVONSED-VIFPVBQESA-N	0	0	353.172	3.750	10	5		FHBERN
COc1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000021144835	211309816	/nfs/dbraw/zinc/30/98/16/211309816.db2.gz	DYFZWUQKNRYIFO-JTQLQIEISA-N	0	0	350.758	3.663	10	5		FHBERN
CCCNc1ncnc(Nc2cccc(Br)c2)c1[N+](=O)[O-]	ZINC000040597109	220913149	/nfs/dbraw/zinc/91/31/49/220913149.db2.gz	JRMGDSBYADQODN-UHFFFAOYSA-N	0	0	352.192	3.713	10	5		FHBERN
O=[N+]([O-])c1cccc(Nc2nc3ccccc3c(NC[C@@H]3CCCO3)n2)c1	ZINC000072260968	221455205	/nfs/dbraw/zinc/45/52/05/221455205.db2.gz	OYBCWYMRKJZFNU-HNNXBMFYSA-N	0	0	365.393	3.873	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC[C@@H](Oc2nc3cc([N+](=O)[O-])ccc3o2)C1	ZINC000095084578	221845566	/nfs/dbraw/zinc/84/55/66/221845566.db2.gz	WPVAUGCWUYJDDA-GFCCVEGCSA-N	0	0	363.370	3.514	10	5		FHBERN
O=[N+]([O-])c1ccc(-c2c(I)[nH]nc2C(F)F)cc1	ZINC000675075868	571272630	/nfs/dbraw/zinc/27/26/30/571272630.db2.gz	FOLHODODOMGXFL-UHFFFAOYSA-N	0	0	365.077	3.527	10	5		FHBERN
O=C(Cn1c2ccccc2c2nc3ccccc3nc21)Nc1nccs1	ZINC000227173879	571342804	/nfs/dbraw/zinc/34/28/04/571342804.db2.gz	AIEGXAGVWZKVSR-UHFFFAOYSA-N	0	0	359.414	3.833	10	5		FHBERN
CC[C@H](NC(=O)c1[nH]nc([N+](=O)[O-])c1Cl)c1ccc(C(C)C)cc1	ZINC000000653207	210257493	/nfs/dbraw/zinc/25/74/93/210257493.db2.gz	RVZUAYNFDWRMTG-LBPRGKRZSA-N	0	0	350.806	3.976	10	5		FHBERN
COc1ccc([N+](=O)[O-])cc1C(=O)NCc1nc(-c2ccccc2)cs1	ZINC000041649501	211772739	/nfs/dbraw/zinc/77/27/39/211772739.db2.gz	WKAOGZBDNRQPPL-UHFFFAOYSA-N	0	0	369.402	3.657	10	5		FHBERN
CCN(CC)c1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040608208	211749680	/nfs/dbraw/zinc/74/96/80/211749680.db2.gz	MZOKLIZIHVSGIZ-UHFFFAOYSA-N	0	0	371.319	3.873	10	5		FHBERN
CC(C)(C)c1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1	ZINC000073642280	211688316	/nfs/dbraw/zinc/68/83/16/211688316.db2.gz	ZKFCDFKAZIVIBS-UHFFFAOYSA-N	0	0	351.406	3.972	10	5		FHBERN
Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2=O)c1	ZINC000020373324	211276711	/nfs/dbraw/zinc/27/67/11/211276711.db2.gz	QRBVVZMOEBQRRR-OAHLLOKOSA-N	0	0	367.405	3.512	10	5		FHBERN
CCOc1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC	ZINC000015790669	211144326	/nfs/dbraw/zinc/14/43/26/211144326.db2.gz	YWVPMRCJRDAKKU-PKNBQFBNSA-N	0	0	356.378	3.962	10	5		FHBERN
C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccc(Br)c1	ZINC000026709825	220519159	/nfs/dbraw/zinc/51/91/59/220519159.db2.gz	ROKLIYLBTQVEFK-SECBINFHSA-N	0	0	364.199	3.629	10	5		FHBERN
CCCNc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040597156	220912981	/nfs/dbraw/zinc/91/29/81/220912981.db2.gz	CGQVUTCEUSVJMR-UHFFFAOYSA-N	0	0	357.292	3.849	10	5		FHBERN
CCOc1ccc(Nc2ncnc(N3CCC(C)CC3)c2[N+](=O)[O-])cc1	ZINC000040612925	132947954	/nfs/dbraw/zinc/94/79/54/132947954.db2.gz	HYCDUZGYHTXOSH-UHFFFAOYSA-N	0	0	357.414	3.763	10	5		FHBERN
C[C@@H](OC(=O)NCCc1c[nH]c2ccc(O)cc12)c1ccccc1[N+](=O)[O-]	ZINC000098052564	222222479	/nfs/dbraw/zinc/22/24/79/222222479.db2.gz	KUEQXJVRVDFKJY-GFCCVEGCSA-N	0	0	369.377	3.812	10	5	in-vitro	FHBERN
CCCCOc1ccc(NC(=O)n2nc(N)c3cc([N+](=O)[O-])ccc32)cc1	ZINC000098178436	222230149	/nfs/dbraw/zinc/23/01/49/222230149.db2.gz	FJCOEZMGFFSDLP-UHFFFAOYSA-N	0	0	369.381	3.786	10	5		FHBERN
COC(=O)C1CCC(C(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)CC1	ZINC000181947217	568243953	/nfs/dbraw/zinc/24/39/53/568243953.db2.gz	MPYWDFDNUYQWNW-UHFFFAOYSA-N	0	0	374.315	3.532	10	5		FHBERN
CC(=O)NC12C[C@@H]3C[C@H](C1)CC(c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1)(C3)C2	ZINC000005697144	570816163	/nfs/dbraw/zinc/81/61/63/570816163.db2.gz	BMJXYIXTVLPQLQ-BAUKFBFWSA-N	0	0	373.409	3.538	10	5		FHBERN
O=C(c1ccc(Cl)c(Cl)c1)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642256	571109740	/nfs/dbraw/zinc/10/97/40/571109740.db2.gz	GTQLQDGRCFPUQI-UHFFFAOYSA-N	0	0	364.188	3.981	10	5		FHBERN
O=C(c1ccc(Cl)cc1Cl)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642259	571109804	/nfs/dbraw/zinc/10/98/04/571109804.db2.gz	RTASYPSSZKVIMD-UHFFFAOYSA-N	0	0	364.188	3.981	10	5		FHBERN
C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	ZINC000016087200	220177842	/nfs/dbraw/zinc/17/78/42/220177842.db2.gz	NZWRBPQLAWKGRH-ZDUSSCGKSA-N	0	0	356.403	3.788	10	5		FHBERN
CC(C)Nc1ncnc(Nc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040597543	211749083	/nfs/dbraw/zinc/74/90/83/211749083.db2.gz	BEKGOJNTMRRCBD-UHFFFAOYSA-N	0	0	352.192	3.711	10	5		FHBERN
COc1ccc(Nc2ncnc(Nc3ccccc3)c2[N+](=O)[O-])c(OC)c1	ZINC000040619588	211751192	/nfs/dbraw/zinc/75/11/92/211751192.db2.gz	PYAKYIYMXCHGPS-UHFFFAOYSA-N	0	0	367.365	3.889	10	5		FHBERN
CC(C)Oc1ncnc(Oc2ccc(Br)cc2)c1[N+](=O)[O-]	ZINC000040659701	211751034	/nfs/dbraw/zinc/75/10/34/211751034.db2.gz	MQKBKTICQGDOJF-UHFFFAOYSA-N	0	0	354.160	3.727	10	5		FHBERN
COc1ccccc1Oc1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-]	ZINC000040586260	211750220	/nfs/dbraw/zinc/75/02/20/211750220.db2.gz	IWIYLYXCQUHULW-UHFFFAOYSA-N	0	0	364.361	3.880	10	5		FHBERN
COC(=O)c1cccc(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1	ZINC000014788094	211102624	/nfs/dbraw/zinc/10/26/24/211102624.db2.gz	ORIUQLWMGGNVKG-UHFFFAOYSA-N	0	0	366.329	3.894	10	5		FHBERN
CCN(CC)C(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1	ZINC000014387176	211091999	/nfs/dbraw/zinc/09/19/99/211091999.db2.gz	SZKVWEJNGWMSEC-JLHYYAGUSA-N	0	0	367.405	3.729	10	5		FHBERN
CC(C)(C)OC(=O)N1CCCC[C@H]1CCCOc1ccc([N+](=O)[O-])cn1	ZINC000095086223	221847124	/nfs/dbraw/zinc/84/71/24/221847124.db2.gz	IZPFCTSXOLGECA-AWEZNQCLSA-N	0	0	365.430	3.938	10	5		FHBERN
CCc1ccc([C@H]2CCCCN2C(=O)COc2ccccc2[N+](=O)[O-])o1	ZINC000128617264	568083968	/nfs/dbraw/zinc/08/39/68/568083968.db2.gz	PLLYDZVUBWGCPR-OAHLLOKOSA-N	0	0	358.394	3.883	10	5		FHBERN
COC[C@H](C)NC(=O)c1ccc(Sc2ccc(C)cc2)c([N+](=O)[O-])c1	ZINC000015791221	568253831	/nfs/dbraw/zinc/25/38/31/568253831.db2.gz	LSSXEPRHPJBAGU-ZDUSSCGKSA-N	0	0	360.435	3.819	10	5		FHBERN
Nc1cc(Br)cc2[nH]c(=O)c3cc(Br)ccc3c12	ZINC000017427020	210236059	/nfs/dbraw/zinc/23/60/59/210236059.db2.gz	VAOWSRXXGHLFLT-UHFFFAOYSA-N	0	0	368.028	3.789	10	5		FHBERN
Cc1ccc(S(=O)(=O)N[C@@H](C)c2cccc(Cl)c2)cc1[N+](=O)[O-]	ZINC000007305299	210093449	/nfs/dbraw/zinc/09/34/49/210093449.db2.gz	OTSWPGVDXZBSPR-NSHDSACASA-N	0	0	354.815	3.596	10	5		FHBERN
COc1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3C)sc2c1	ZINC000001284362	219393609	/nfs/dbraw/zinc/39/36/09/219393609.db2.gz	RMKHLTIUIYGEJB-UHFFFAOYSA-N	0	0	373.390	3.539	10	5		FHBERN
O=[N+]([O-])c1cc(Cl)cc(Br)c1I	ZINC000226320919	222883860	/nfs/dbraw/zinc/88/38/60/222883860.db2.gz	PKAVQPQBECYVNT-UHFFFAOYSA-N	0	0	362.348	3.615	10	5		FHBERN
Cc1ccc(C)c(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1	ZINC000010012136	210859623	/nfs/dbraw/zinc/85/96/23/210859623.db2.gz	YEZNFOFIYVYLCZ-CMDGGOBGSA-N	0	0	355.419	3.738	10	5		FHBERN
O=c1c2ccccc2nc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(O)cc1	ZINC000059522182	221126311	/nfs/dbraw/zinc/12/63/11/221126311.db2.gz	DFWMUTBOWKBDLP-UHFFFAOYSA-N	0	0	359.341	3.667	10	5		FHBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(-c2ccc(F)cc2)[nH]c1=O	ZINC000072450887	221535368	/nfs/dbraw/zinc/53/53/68/221535368.db2.gz	ZTOSWZXQOKHEFT-UHFFFAOYSA-N	0	0	367.336	3.650	10	5		FHBERN
CC(C)(C)OC(=O)N1CC[C@H](Sc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1	ZINC000085333538	221732421	/nfs/dbraw/zinc/73/24/21/221732421.db2.gz	CVSXQJAVZISNMR-NSHDSACASA-N	0	0	364.427	3.573	10	5		FHBERN
CC(C)(C)OC(=O)N1CCCC[C@@H]1CCOc1ccc([N+](=O)[O-])cn1	ZINC000095086326	221846600	/nfs/dbraw/zinc/84/66/00/221846600.db2.gz	UPJDKOXACRBIMJ-CYBMUJFWSA-N	0	0	351.403	3.548	10	5		FHBERN
O=C(N[C@H]1CCCc2ccccc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000107513856	222395623	/nfs/dbraw/zinc/39/56/23/222395623.db2.gz	PAZSHPHJUGWXET-IBGZPJMESA-N	0	0	362.389	3.588	10	5		FHBERN
CC(C)(C)OC(=O)N1CCCC[C@@H]1CSc1ccc([N+](=O)[O-])cn1	ZINC000085333015	518803106	/nfs/dbraw/zinc/80/31/06/518803106.db2.gz	WUMCYKVRAGCHMJ-CYBMUJFWSA-N	0	0	353.444	3.872	10	5		FHBERN
CCc1ccc([C@@H]2CCCCN2C(=O)COc2ccc([N+](=O)[O-])cc2)o1	ZINC000128570943	568009432	/nfs/dbraw/zinc/00/94/32/568009432.db2.gz	INNXGOVNLCECCD-KRWDZBQOSA-N	0	0	358.394	3.883	10	5		FHBERN
CC(=O)Oc1cccc2cc3cccc(OC(C)=O)c3c(OC(C)=O)c21	ZINC000000538488	210179695	/nfs/dbraw/zinc/17/96/95/210179695.db2.gz	IPWOSICBVUXMML-UHFFFAOYSA-N	0	0	352.342	3.769	10	5		FHBERN
C[C@@H](O)c1cccc(NC(=O)c2ccc(Br)c([N+](=O)[O-])c2)c1	ZINC000226274763	210178059	/nfs/dbraw/zinc/17/80/59/210178059.db2.gz	ZFMLGXQABPNTAX-SECBINFHSA-N	0	0	365.183	3.663	10	5		FHBERN
CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1	ZINC000005512679	210083336	/nfs/dbraw/zinc/08/33/36/210083336.db2.gz	AQMBOXKHHYIQDP-MDWZMJQESA-N	0	0	367.405	3.729	10	5		FHBERN
COc1ccc(C(=O)N[C@H](C)c2ccc(F)c(Cl)c2)cc1[N+](=O)[O-]	ZINC000055743506	211954632	/nfs/dbraw/zinc/95/46/32/211954632.db2.gz	GOIBARJHSMJQFF-SECBINFHSA-N	0	0	352.749	3.887	10	5		FHBERN
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(Cl)cc2)cc1[N+](=O)[O-]	ZINC000016086550	220177617	/nfs/dbraw/zinc/17/76/17/220177617.db2.gz	CHKJFZGLBHBRCM-LLVKDONJSA-N	0	0	354.815	3.596	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc3c(c2)OCO3)ncnc1Oc1ccccc1	ZINC000040584357	211749849	/nfs/dbraw/zinc/74/98/49/211749849.db2.gz	PJALICRUJDGRGJ-UHFFFAOYSA-N	0	0	352.306	3.649	10	5		FHBERN
C[C@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Br	ZINC000017964646	211187978	/nfs/dbraw/zinc/18/79/78/211187978.db2.gz	VIOZVIFUXJJFLZ-NSHDSACASA-N	0	0	363.211	3.777	10	5		FHBERN
O=C(Nc1nc2c(cccc2F)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000004331611	210525850	/nfs/dbraw/zinc/52/58/50/210525850.db2.gz	PZAPQJNYIHHFBZ-UHFFFAOYSA-N	0	0	362.298	3.504	10	5		FHBERN
O=c1c2cnc3ccn(-c4ccccn4)c(=O)c3c2ccn1C1CCCCC1	ZINC000072452812	221535253	/nfs/dbraw/zinc/53/52/53/221535253.db2.gz	UFLQUGYTFNTHEN-UHFFFAOYSA-N	0	0	372.428	3.601	10	5		FHBERN
O=[N+]([O-])c1ccc(Oc2cc(Oc3ccc([N+](=O)[O-])cc3)ncn2)cc1	ZINC000504409043	263740209	/nfs/dbraw/zinc/74/02/09/263740209.db2.gz	LJKMKRGHNQFQBO-UHFFFAOYSA-N	0	0	354.278	3.878	10	5		FHBERN
O=[N+]([O-])c1ccc(Br)cc1NC(=S)NCc1ccccc1	ZINC000583652992	570811746	/nfs/dbraw/zinc/81/17/46/570811746.db2.gz	QQWVGNFYKCJLEW-UHFFFAOYSA-N	0	0	366.240	3.844	10	5		FHBERN
Cc1cc([N+](=O)[O-])ccc1NC(=O)COc1ccccc1Br	ZINC000005379233	210083752	/nfs/dbraw/zinc/08/37/52/210083752.db2.gz	USYSZZIBXNGGSU-UHFFFAOYSA-N	0	0	365.183	3.683	10	5		FHBERN
Cc1ccc2nc(NC(=O)COc3ccc([N+](=O)[O-])cc3C)sc2c1	ZINC000001284363	219393930	/nfs/dbraw/zinc/39/39/30/219393930.db2.gz	DOHWDNUYBQMNGD-UHFFFAOYSA-N	0	0	357.391	3.839	10	5		FHBERN
COc1ccc(Oc2ncnc(Oc3ccccc3OC)c2[N+](=O)[O-])cc1	ZINC000040661615	211753871	/nfs/dbraw/zinc/75/38/71/211753871.db2.gz	ATINEBQBZOBJPV-UHFFFAOYSA-N	0	0	369.333	3.987	10	5		FHBERN
COc1ccc(Oc2ncnc(Oc3ccc(OC)cc3)c2[N+](=O)[O-])cc1	ZINC000040661625	211753694	/nfs/dbraw/zinc/75/36/94/211753694.db2.gz	JSWCTFQPNUGZNE-UHFFFAOYSA-N	0	0	369.333	3.987	10	5		FHBERN
CCN(CC)c1ncnc(Oc2cccc3ccc(C)nc32)c1[N+](=O)[O-]	ZINC000040607953	211750208	/nfs/dbraw/zinc/75/02/08/211750208.db2.gz	OKHFDAVYRUFDFN-UHFFFAOYSA-N	0	0	353.382	3.880	10	5		FHBERN
Cc1cc(C)n(-c2ncnc(NC34CC5CC(CC(C5)C3)C4)c2[N+](=O)[O-])n1	ZINC000040621899	211751272	/nfs/dbraw/zinc/75/12/72/211751272.db2.gz	CZHVXIHKPMOQPT-UHFFFAOYSA-N	0	0	368.441	3.568	10	5		FHBERN
Cc1ccc([N+](=O)[O-])c(OCC(=O)c2ccccc2Br)c1	ZINC000037976322	211326970	/nfs/dbraw/zinc/32/69/70/211326970.db2.gz	YIPSJTWKKBICST-UHFFFAOYSA-N	0	0	350.168	3.927	10	5		FHBERN
COc1ccc2c3ccc4cc5c(cc4c3n(C)c(=O)c2c1OC)OCO5	ZINC000000900932	210289113	/nfs/dbraw/zinc/28/91/13/210289113.db2.gz	IHTXRYTWDARUKX-UHFFFAOYSA-N	0	0	363.369	3.591	10	5	biogenic,in-vitro	FHBERN
CC(C)(C)OC(=O)N1CCC[C@@H]1CNc1nc2cc([N+](=O)[O-])ccc2o1	ZINC000095085719	221846783	/nfs/dbraw/zinc/84/67/83/221846783.db2.gz	MOOAHWUIVCWROD-GFCCVEGCSA-N	0	0	362.386	3.547	10	5		FHBERN
CC[C@@H]1CN(Cc2c(Br)cccc2[N+](=O)[O-])C[C@H](CC)O1	ZINC000725263977	570538682	/nfs/dbraw/zinc/53/86/82/570538682.db2.gz	YUUJCSZYPSLYCC-TXEJJXNPSA-N	0	0	357.248	3.747	10	5		FHBERN
CC(C)c1ccc(OCC(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1	ZINC000073642428	571109711	/nfs/dbraw/zinc/10/97/11/571109711.db2.gz	VIBSWDOLBZOWHY-UHFFFAOYSA-N	0	0	367.405	3.563	10	5		FHBERN
COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CC[C@H](C)C2	ZINC000001940282	219423142	/nfs/dbraw/zinc/42/31/42/219423142.db2.gz	XBSNHTCSBVKWBE-JTQLQIEISA-N	0	0	374.418	3.820	10	5		FHBERN
C[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(Cl)c1	ZINC000015172037	220149900	/nfs/dbraw/zinc/14/99/00/220149900.db2.gz	TUUOZCAEYLLEKM-JTQLQIEISA-N	0	0	354.815	3.825	10	5		FHBERN
Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2=O)c1	ZINC000020373321	220324429	/nfs/dbraw/zinc/32/44/29/220324429.db2.gz	QRBVVZMOEBQRRR-HNNXBMFYSA-N	0	0	367.405	3.512	10	5		FHBERN
CCOc1cc([N+](=O)[O-])c(C(=O)NC2C3CC4CC(C3)CC2C4)cc1OC	ZINC000024176523	220442630	/nfs/dbraw/zinc/44/26/30/220442630.db2.gz	UQAOGJPWLWSPBI-UHFFFAOYSA-N	0	0	374.437	3.557	10	5		FHBERN
CN(Cc1ccccc1)c1ncnc(N2CCc3ccccc32)c1[N+](=O)[O-]	ZINC000040572671	220911511	/nfs/dbraw/zinc/91/15/11/220911511.db2.gz	HZNSMSDLXGYCNX-UHFFFAOYSA-N	0	0	361.405	3.715	10	5		FHBERN
C[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000071788472	221376749	/nfs/dbraw/zinc/37/67/49/221376749.db2.gz	VWSNVYIUFPOXDS-ZDUSSCGKSA-N	0	0	365.430	3.864	10	5		FHBERN
CC(C)N1c2ccc([N+](=O)[O-])cc2N=C(c2ccc([N+](=O)[O-])cc2)CC1=O	ZINC000100898449	222256344	/nfs/dbraw/zinc/25/63/44/222256344.db2.gz	XAHYOXISILQJOR-UHFFFAOYSA-N	0	0	368.349	3.769	10	5		FHBERN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H]1CCc2cc(Cl)ccc21	ZINC000108924067	222433532	/nfs/dbraw/zinc/43/35/32/222433532.db2.gz	CXNPSWIKSGYREK-AWEZNQCLSA-N	0	0	366.826	3.522	10	5		FHBERN
O=C(Nc1ccc(F)cc1F)c1cc([N+](=O)[O-])c(Cl)c([N+](=O)[O-])c1	ZINC000005713668	219695315	/nfs/dbraw/zinc/69/53/15/219695315.db2.gz	HQBZATPCHKVOFB-UHFFFAOYSA-N	0	0	357.656	3.687	10	5		FHBERN
Cc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2Cl)cc1[N+](=O)[O-]	ZINC000016086271	220177589	/nfs/dbraw/zinc/17/75/89/220177589.db2.gz	QADNCWDVYUPUDR-LLVKDONJSA-N	0	0	354.815	3.596	10	5		FHBERN
COc1ccc2oc(=O)c(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2c1	ZINC000040949366	220926087	/nfs/dbraw/zinc/92/60/87/220926087.db2.gz	NKVXAUMSMTZUAE-UHFFFAOYSA-N	0	0	374.736	3.616	10	5		FHBERN
O=c1cc(C(F)(F)F)c2cc3oc(=O)cc(C(F)(F)F)c3cc2o1	ZINC000043463811	220947746	/nfs/dbraw/zinc/94/77/46/220947746.db2.gz	ZHMCXDAREQIGEP-UHFFFAOYSA-N	0	0	350.170	3.937	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc(F)cc2)ncnc1N1CCc2ccccc2C1	ZINC000040647634	132948328	/nfs/dbraw/zinc/94/83/28/132948328.db2.gz	LANIZIWPWPDLAT-UHFFFAOYSA-N	0	0	365.368	3.830	10	5		FHBERN
CCOc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1Cl	ZINC000073642354	571109827	/nfs/dbraw/zinc/10/98/27/571109827.db2.gz	YPBJWLNWMZHQIL-UHFFFAOYSA-N	0	0	373.796	3.726	10	5		FHBERN
COC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(OC)c(Cl)c3)oc21	ZINC000226237056	222882506	/nfs/dbraw/zinc/88/25/06/222882506.db2.gz	QJYUBSILORIGBV-UHFFFAOYSA-N	0	0	362.725	3.852	10	5		FHBERN
O=[N+]([O-])c1ccc2[nH]cc(S(=O)(=O)Nc3ccc(Cl)cc3F)c2c1	ZINC000020491976	220329036	/nfs/dbraw/zinc/32/90/36/220329036.db2.gz	MJSDRDHTESMMBL-UHFFFAOYSA-N	0	0	369.761	3.669	10	5		FHBERN
CS(=O)(=O)c1ccc2c(c1)sc1nc(-c3cccc([N+](=O)[O-])c3)cn21	ZINC000040964769	220926428	/nfs/dbraw/zinc/92/64/28/220926428.db2.gz	DQLBLGDJHQLXAH-UHFFFAOYSA-N	0	0	373.415	3.528	10	5		FHBERN
O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1	ZINC000055732974	221073717	/nfs/dbraw/zinc/07/37/17/221073717.db2.gz	QWVHQDWQFKLSPH-OAHLLOKOSA-N	0	0	361.741	3.574	10	5		FHBERN
COc1ccc(-c2cc3nc(N4CCOCC4)c4ccccc4c3nn2)cc1	ZINC000028759542	132918946	/nfs/dbraw/zinc/91/89/46/132918946.db2.gz	ZXUKIAAIZXWCNU-UHFFFAOYSA-N	0	0	372.428	3.690	10	5		FHBERN
CC(=O)c1ccc(Oc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])c(Cl)c1	ZINC000120372589	568070708	/nfs/dbraw/zinc/07/07/08/568070708.db2.gz	LRLFWDZTWOFARU-UHFFFAOYSA-N	0	0	369.782	3.647	10	5		FHBERN
Cc1sc(C(=O)N[C@H](Cc2ccccc2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000128638245	568097040	/nfs/dbraw/zinc/09/70/40/568097040.db2.gz	UCVQLIVIDPELAR-CYBMUJFWSA-N	0	0	358.341	3.868	10	5		FHBERN
COc1cc(-c2c(C(C)=O)c(C)nc(C)c2C(C)=O)c([N+](=O)[O-])cc1OC	ZINC000005881535	570637972	/nfs/dbraw/zinc/63/79/72/570637972.db2.gz	GVYFUJJLRAJWCG-UHFFFAOYSA-N	0	0	372.377	3.696	10	5		FHBERN
COc1ccc(-c2nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c3ccccc32)cc1	ZINC000001024568	219353696	/nfs/dbraw/zinc/35/36/96/219353696.db2.gz	DCFJNNCSWWIKBE-UHFFFAOYSA-N	0	0	373.368	3.970	10	5		FHBERN
COc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1ccc(Br)o1	ZINC000001284973	219393559	/nfs/dbraw/zinc/39/35/59/219393559.db2.gz	YGXGUPKPIUFCIO-VOTSOKGWSA-N	0	0	368.139	3.517	10	5		FHBERN
Cc1cc(Cl)ccc1Nc1[nH]cnc(=NNC(C)(C)C)c1[N+](=O)[O-]	ZINC000040590656	220912064	/nfs/dbraw/zinc/91/20/64/220912064.db2.gz	MHVISBTWPONZMH-UHFFFAOYSA-N	0	0	350.810	3.805	10	5		FHBERN
Cc1cnc(-c2cccc(-c3cc([N+](=O)[O-])c(C)cn3)n2)cc1[N+](=O)[O-]	ZINC000169458813	222567203	/nfs/dbraw/zinc/56/72/03/222567203.db2.gz	AXXDFRMUQCWXCT-UHFFFAOYSA-N	0	0	351.322	3.639	10	5		FHBERN
CC(C)(C)OC(=O)Nc1cccc([N+](=O)[O-])c1I	ZINC000218896625	571356795	/nfs/dbraw/zinc/35/67/95/571356795.db2.gz	OXQQULVJTZGNAM-UHFFFAOYSA-N	0	0	364.139	3.546	10	5		FHBERN
O=[N+]([O-])c1cc(Cl)cc(I)c1Br	ZINC000226320985	222884523	/nfs/dbraw/zinc/88/45/23/222884523.db2.gz	KAGDYHALQHFCDV-UHFFFAOYSA-N	0	0	362.348	3.615	10	5		FHBERN
COc1cc2c(=O)oc3cc(OC(=O)C(C)C)ccc3c2c(OC)c1OC	ZINC000005522188	219686855	/nfs/dbraw/zinc/68/68/55/219686855.db2.gz	QRCWLXDDHIHBEP-UHFFFAOYSA-N	0	0	372.373	3.533	10	5		FHBERN
C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1	ZINC000016087206	220177684	/nfs/dbraw/zinc/17/76/84/220177684.db2.gz	PMKNLQPWOVWYHW-ZDUSSCGKSA-N	0	0	356.403	3.788	10	5		FHBERN
CC(C)(C)N1C(=O)c2ccc(-c3nc4ccc([N+](=O)[O-])cc4o3)cc2C1=O	ZINC000021127356	220352168	/nfs/dbraw/zinc/35/21/68/220352168.db2.gz	ZGRDYDCYSXKMAY-UHFFFAOYSA-N	0	0	365.345	3.798	10	5		FHBERN
O=C1Cc2cc([N+](=O)[O-])c(NCc3ccc(Br)s3)cc2N1	ZINC000038018847	220846275	/nfs/dbraw/zinc/84/62/75/220846275.db2.gz	SXJNQNWXSVQKII-UHFFFAOYSA-N	0	0	368.212	3.526	10	5		FHBERN
CCCCN(C)c1ncnc(Nc2cccc(C(=O)OCC)c2)c1[N+](=O)[O-]	ZINC000040612107	220912357	/nfs/dbraw/zinc/91/23/57/220912357.db2.gz	TZIWTYVRJYEKAT-UHFFFAOYSA-N	0	0	373.413	3.541	10	5		FHBERN
O=[N+]([O-])c1ccccc1CCNc1ccc(I)cc1	ZINC000062726243	221140225	/nfs/dbraw/zinc/14/02/25/221140225.db2.gz	CQOGHQRTDPHSPO-UHFFFAOYSA-N	0	0	368.174	3.854	10	5		FHBERN
O=C(N[C@@H]1CCCc2ccccc21)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1	ZINC000107513859	222396529	/nfs/dbraw/zinc/39/65/29/222396529.db2.gz	PAZSHPHJUGWXET-LJQANCHMSA-N	0	0	362.389	3.588	10	5		FHBERN
Cc1sc(C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)cc1[N+](=O)[O-]	ZINC000128638019	568096934	/nfs/dbraw/zinc/09/69/34/568096934.db2.gz	UCVQLIVIDPELAR-ZDUSSCGKSA-N	0	0	358.341	3.868	10	5		FHBERN
CC[C@H](NC(=O)N(C)C[C@@H](C)c1nccs1)c1cccc([N+](=O)[O-])c1	ZINC000181921025	568196701	/nfs/dbraw/zinc/19/67/01/568196701.db2.gz	DHZANVUBALIMOR-DOMZBBRYSA-N	0	0	362.455	3.948	10	5		FHBERN
O=[N+]([O-])c1cc(Cl)c(N2CCO[C@H](c3nccs3)C2)c(Cl)c1	ZINC000302006988	568311401	/nfs/dbraw/zinc/31/14/01/568311401.db2.gz	ANADAVAXAUBBPX-NSHDSACASA-N	0	0	360.222	3.936	10	5		FHBERN
C[C@@H](NC(=O)Cc1ccccc1[N+](=O)[O-])c1ccccc1Br	ZINC000017964644	220220267	/nfs/dbraw/zinc/22/02/67/220220267.db2.gz	VIOZVIFUXJJFLZ-LLVKDONJSA-N	0	0	363.211	3.777	10	5		FHBERN
O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1cccnc1Cl	ZINC000037976168	220844494	/nfs/dbraw/zinc/84/44/94/220844494.db2.gz	YLBCAGAOWGYBQO-UHFFFAOYSA-N	0	0	356.563	3.658	10	5		FHBERN
Cc1c(C(=O)Nc2ccc([N+](=O)[O-])cc2C)nnn1-c1cccc(Cl)c1	ZINC000040179253	220895163	/nfs/dbraw/zinc/89/51/63/220895163.db2.gz	LQDUKBFSBGARDH-UHFFFAOYSA-N	0	0	371.784	3.698	10	5		FHBERN
O=[N+]([O-])c1c(Nc2ccc3c(c2)OCO3)ncnc1NC1CCCCCC1	ZINC000040584420	220910240	/nfs/dbraw/zinc/91/02/40/220910240.db2.gz	XKPHGVBPPMFBTM-UHFFFAOYSA-N	0	0	371.397	3.992	10	5		FHBERN
COc1ccc(Oc2ncnc(N3CCc4ccccc43)c2[N+](=O)[O-])cc1	ZINC000040586261	220912420	/nfs/dbraw/zinc/91/24/20/220912420.db2.gz	KZWKPTPSOYBFOZ-UHFFFAOYSA-N	0	0	364.361	3.880	10	5		FHBERN
CC(C)Oc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1[N+](=O)[O-]	ZINC000040659671	220914875	/nfs/dbraw/zinc/91/48/75/220914875.db2.gz	UYFBTHGEJXLGOI-UHFFFAOYSA-N	0	0	358.276	3.814	10	5		FHBERN
O=[N+]([O-])c1ccc(-c2cn3cc(I)ccc3n2)cc1	ZINC000068584932	221316631	/nfs/dbraw/zinc/31/66/31/221316631.db2.gz	ZTRWKVGXKJZXAR-UHFFFAOYSA-N	0	0	365.130	3.514	10	5		FHBERN
O=[N+]([O-])c1ccccc1OCc1nc(-c2cccc(C(F)(F)F)c2)n[nH]1	ZINC000072237527	221453632	/nfs/dbraw/zinc/45/36/32/221453632.db2.gz	PNVALNVTWHGSEH-UHFFFAOYSA-N	0	0	364.283	3.978	10	5		FHBERN
O=[N+]([O-])c1cnc(Sc2ccc(Br)cc2)nc1NC1CC1	ZINC000105899131	222378065	/nfs/dbraw/zinc/37/80/65/222378065.db2.gz	SXURHJHFOYMVAF-UHFFFAOYSA-N	0	0	367.228	3.873	10	5		FHBERN
Nc1ccc(Br)cc1C(=O)Nc1cc(Cl)ccc1[N+](=O)[O-]	ZINC000123872946	222528206	/nfs/dbraw/zinc/52/82/06/222528206.db2.gz	BFYGIWUVNIWZTP-UHFFFAOYSA-N	0	0	370.590	3.845	10	5		FHBERN
O=C(c1cc(Cl)ccc1Cl)N1CCN=Cc2cc([N+](=O)[O-])ccc21	ZINC000073642258	571109830	/nfs/dbraw/zinc/10/98/30/571109830.db2.gz	IFIPHRFYJVUFFG-UHFFFAOYSA-N	0	0	364.188	3.981	10	5		FHBERN
CC(C)Oc1cccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000010156284	219895170	/nfs/dbraw/zinc/89/51/70/219895170.db2.gz	JEWSHRGCSWUYIS-UHFFFAOYSA-N	0	0	359.407	3.509	10	5		FHBERN
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1C(=O)NC(C)(C)C	ZINC000021125351	220352171	/nfs/dbraw/zinc/35/21/71/220352171.db2.gz	KNLHTSLQXRNMEI-UHFFFAOYSA-N	0	0	355.394	3.684	10	5		FHBERN
Cc1ccc(Oc2ncnc(Nc3ccc4c(c3)OCO4)c2[N+](=O)[O-])cc1	ZINC000040584359	220910621	/nfs/dbraw/zinc/91/06/21/220910621.db2.gz	FRCXDSPUIYKBNH-UHFFFAOYSA-N	0	0	366.333	3.958	10	5		FHBERN
COc1cc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC	ZINC000069161773	221321914	/nfs/dbraw/zinc/32/19/14/221321914.db2.gz	NCCSCKFNCJAOBD-JTQLQIEISA-N	0	0	364.785	3.756	10	5		FHBERN
Nc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000123735513	222526594	/nfs/dbraw/zinc/52/65/94/222526594.db2.gz	GZTJCSPKWIUCAA-UHFFFAOYSA-N	0	0	370.590	3.845	10	5		FHBERN
CCc1cc([N+](=O)[O-])cc2nc(-c3cc(OC)c(OC)c(OC)c3)oc21	ZINC000073642661	571109791	/nfs/dbraw/zinc/10/97/91/571109791.db2.gz	OYKDXSQGUHFZEL-UHFFFAOYSA-N	0	0	358.350	3.991	10	5		FHBERN
CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccccc1[N+](=O)[O-]	ZINC000005460979	219682970	/nfs/dbraw/zinc/68/29/70/219682970.db2.gz	REZRSTCAKHCGKX-UHFFFAOYSA-N	0	0	372.377	3.627	10	5		FHBERN
CCn1c2ccccc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1	ZINC000008807629	219870077	/nfs/dbraw/zinc/87/00/77/219870077.db2.gz	DUDHWLKIQWBLTC-UHFFFAOYSA-N	0	0	356.407	3.695	10	5		FHBERN
Cc1cc(C)cc(NC(=S)NC(=O)C=Cc2cccc([N+](=O)[O-])c2)c1	ZINC000010012134	219889691	/nfs/dbraw/zinc/88/96/91/219889691.db2.gz	KEZRYVXRONMDLJ-VOTSOKGWSA-N	0	0	355.419	3.738	10	5		FHBERN
COc1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	ZINC000021144837	220353332	/nfs/dbraw/zinc/35/33/32/220353332.db2.gz	DYFZWUQKNRYIFO-SNVBAGLBSA-N	0	0	350.758	3.663	10	5		FHBERN
O=C(Nc1ncc(Br)s1)c1ccc(Cl)c([N+](=O)[O-])c1	ZINC000037388478	220834751	/nfs/dbraw/zinc/83/47/51/220834751.db2.gz	OKAXPSXFWYSWRM-UHFFFAOYSA-N	0	0	362.592	3.720	10	5		FHBERN
CCN(c1ccccc1)c1ncnc(-n2cnc3ccccc32)c1[N+](=O)[O-]	ZINC000040573633	220910321	/nfs/dbraw/zinc/91/03/21/220910321.db2.gz	BPHISIDEHJKBRR-UHFFFAOYSA-N	0	0	360.377	3.882	10	5		FHBERN
O=[N+]([O-])c1c(NC23CC4CC(CC(C4)C2)C3)ncnc1Oc1cccnc1	ZINC000040621752	220912331	/nfs/dbraw/zinc/91/23/31/220912331.db2.gz	OQCMQYQGKGEWFY-UHFFFAOYSA-N	0	0	367.409	3.953	10	5		FHBERN
CC(C)(C)OC(=O)N1CCC[C@@H](CCCOc2ccc([N+](=O)[O-])cn2)C1	ZINC000095085019	221845980	/nfs/dbraw/zinc/84/59/80/221845980.db2.gz	DVVGMIMRHVEGGA-AWEZNQCLSA-N	0	0	365.430	3.796	10	5		FHBERN
O=c1[nH]c2ccccc2c2cc3c(cc12)O[C@H](Cc1ccc(O)cc1)CO3	ZINC000000899996	560179408	/nfs/dbraw/zinc/17/94/08/560179408.db2.gz	XFYYJHYSDXQMAE-OAHLLOKOSA-N	0	0	359.381	3.769	10	5	in-vitro	FHBERN
Cc1cc(F)ccc1N1CCC[C@H](Nc2cc(CO)ccc2[N+](=O)[O-])C1	ZINC000302039292	568153462	/nfs/dbraw/zinc/15/34/62/568153462.db2.gz	NCCJPNAWWPGVJF-INIZCTEOSA-N	0	0	359.401	3.616	10	5		FHBERN
CC(C)(C)C(=O)Nc1cccc(NCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000024356752	570680227	/nfs/dbraw/zinc/68/02/27/570680227.db2.gz	JYJQUPCUGDMFIO-UHFFFAOYSA-N	0	0	370.409	3.630	10	5		FHBERN