smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=[N+]([O-])c1c(-c2ccccc2)n[nH]c1N1CCCC1	ZINC000003878209	346208652	/nfs/dbraw/zinc/20/86/52/346208652.db2.gz	LEARDRLRKMHFAQ-UHFFFAOYSA-N	0	1	258.281	2.585	50	5		CFBAMN
Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C	ZINC000242191354	382985875	/nfs/dbraw/zinc/98/58/75/382985875.db2.gz	XEXLDJNRTMGIOQ-QLFBSQMISA-N	0	1	288.347	2.632	50	5		CFBAMN
Nc1ccccc1-c1n[nH]c(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000040175756	174201889	/nfs/dbraw/zinc/20/18/89/174201889.db2.gz	FNBFKRCRZGSKHV-UHFFFAOYSA-N	0	1	281.275	2.629	50	5		CFBAMN
CC[C@H](Nc1cc(C)ccc1[N+](=O)[O-])c1n[nH]c(C)n1	ZINC000095965712	185045673	/nfs/dbraw/zinc/04/56/73/185045673.db2.gz	BKPKXFVLHHRDTF-JTQLQIEISA-N	0	1	275.312	2.893	50	5		CFBAMN
O=C(Nc1cc(Cl)c([N+](=O)[O-])cc1O)c1ccco1	ZINC000004582955	371866617	/nfs/dbraw/zinc/86/66/17/371866617.db2.gz	RFSXETJDABGKJV-UHFFFAOYSA-N	0	1	282.639	2.799	50	5		CFBAMN
O=[N+]([O-])c1ccc([C@H]2CN[C@H](c3ccccc3)O2)cc1	ZINC000019370032	372158686	/nfs/dbraw/zinc/15/86/86/372158686.db2.gz	LKTFJJZWCRZHAS-CABCVRRESA-N	0	1	270.288	2.955	50	5		CFBAMN
O=C(Nc1ccncc1O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000097237561	375545541	/nfs/dbraw/zinc/54/55/41/375545541.db2.gz	FQAJLMGTLSNJCM-UHFFFAOYSA-N	0	1	293.666	2.601	50	5		CFBAMN
O=[N+]([O-])c1cccc(S(=O)(=O)Nc2cccc(F)c2)c1	ZINC000004699894	170001235	/nfs/dbraw/zinc/00/12/35/170001235.db2.gz	ZSQSHLBTGYVSRW-UHFFFAOYSA-N	0	1	296.279	2.535	50	5		CFBAMN
COc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000004831951	170025646	/nfs/dbraw/zinc/02/56/46/170025646.db2.gz	RFUOHEZMHDXEGL-UHFFFAOYSA-N	0	1	288.259	2.561	50	5		CFBAMN
CC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1	ZINC000007074565	170266751	/nfs/dbraw/zinc/26/67/51/170266751.db2.gz	COCMWESCDOQKAP-UHFFFAOYSA-N	0	1	274.324	2.634	50	5		CFBAMN
O=[N+]([O-])c1cccnc1Sc1nc(-c2ccccc2)n[nH]1	ZINC000012645683	260063212	/nfs/dbraw/zinc/06/32/12/260063212.db2.gz	IZHDOTFBLDVAIY-UHFFFAOYSA-N	0	1	299.315	2.926	50	5		CFBAMN
Cc1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1	ZINC000000271383	371574473	/nfs/dbraw/zinc/57/44/73/371574473.db2.gz	MKUXLTTXEGASSZ-UHFFFAOYSA-N	0	1	292.316	2.704	50	5		CFBAMN
O=[N+]([O-])c1ccc(Nc2ccccn2)c([N+](=O)[O-])c1	ZINC000003878753	371820936	/nfs/dbraw/zinc/82/09/36/371820936.db2.gz	WJJCHEFTTVHORZ-UHFFFAOYSA-N	0	1	260.209	2.642	50	5		CFBAMN
CCc1nnc(SCc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000018247591	372145711	/nfs/dbraw/zinc/14/57/11/372145711.db2.gz	RIVJZEGOHLOXGY-UHFFFAOYSA-N	0	1	264.310	2.568	50	5		CFBAMN
CCc1n[nH]c(SCc2ccc([N+](=O)[O-])cc2)n1	ZINC000018247591	372145716	/nfs/dbraw/zinc/14/57/16/372145716.db2.gz	RIVJZEGOHLOXGY-UHFFFAOYSA-N	0	1	264.310	2.568	50	5		CFBAMN
Nc1ccccc1-c1n[nH]c(-c2cccc([N+](=O)[O-])c2)n1	ZINC000040175755	174201375	/nfs/dbraw/zinc/20/13/75/174201375.db2.gz	XBRYIZBHUUIRCL-UHFFFAOYSA-N	0	1	281.275	2.629	50	5		CFBAMN
CC(=O)C(CCCCOc1ccc([N+](=O)[O-])cc1)=C(C)O	ZINC000023115377	620025836	/nfs/dbraw/zinc/02/58/36/620025836.db2.gz	ZUOQEXSMMUFTLG-UHFFFAOYSA-N	0	1	293.319	2.938	50	5		CFBAMN
CCN(Cc1cc(O)ccc1[N+](=O)[O-])CC(F)(F)F	ZINC000091813061	180261128	/nfs/dbraw/zinc/26/11/28/180261128.db2.gz	QIMUOVDJCLZASN-UHFFFAOYSA-N	0	1	278.230	2.685	50	5		CFBAMN
O=C(Nc1ccccc1[N+](=O)[O-])c1ccccc1O	ZINC000003896289	371824098	/nfs/dbraw/zinc/82/40/98/371824098.db2.gz	BOGCXDSQUVFRGC-UHFFFAOYSA-N	0	1	258.233	2.553	50	5		CFBAMN
CCC(O)=C(Sc1ccc([N+](=O)[O-])cc1)C(C)=O	ZINC000102785014	397594653	/nfs/dbraw/zinc/59/46/53/397594653.db2.gz	UGWBOKDPLHFXNH-GFCCVEGCSA-N	0	1	267.306	2.624	50	5		CFBAMN
COc1ccc(CNCc2cccc([N+](=O)[O-])c2)cc1	ZINC000004700208	170001505	/nfs/dbraw/zinc/00/15/05/170001505.db2.gz	OYBBUPXUIYYCPH-UHFFFAOYSA-N	0	1	272.304	2.893	50	5		CFBAMN
CC(C)=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000032753359	372459800	/nfs/dbraw/zinc/45/98/00/372459800.db2.gz	APMRVKTWDSGKPN-UHFFFAOYSA-N	0	1	275.352	2.683	50	5		CFBAMN
O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O	ZINC000004724708	170005796	/nfs/dbraw/zinc/00/57/96/170005796.db2.gz	XQLWZVRZCVCUGU-UHFFFAOYSA-N	0	1	286.287	2.872	50	5		CFBAMN
COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)c1	ZINC000004833129	170026193	/nfs/dbraw/zinc/02/61/93/170026193.db2.gz	YNYZTGDVTJHSHB-UHFFFAOYSA-N	0	1	288.259	2.561	50	5		CFBAMN
CN(Cc1ccccc1[N+](=O)[O-])C[C@@H](O)c1ccccc1	ZINC000040086156	174187338	/nfs/dbraw/zinc/18/73/38/174187338.db2.gz	IVGNISLWMQHHFW-MRXNPFEDSA-N	0	1	286.331	2.760	50	5		CFBAMN
Cc1ccccc1Nc1ncc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000005331104	346211417	/nfs/dbraw/zinc/21/14/17/346211417.db2.gz	ZYAPSULIWVWTAG-UHFFFAOYSA-N	0	1	274.236	2.950	50	5		CFBAMN
CCc1nnc(SCc2ccc(OC)c([N+](=O)[O-])c2)[nH]1	ZINC000001297631	371664923	/nfs/dbraw/zinc/66/49/23/371664923.db2.gz	HAPQNZDYZMUHBU-UHFFFAOYSA-N	0	1	294.336	2.576	50	5		CFBAMN
CCc1n[nH]c(SCc2ccc(OC)c([N+](=O)[O-])c2)n1	ZINC000001297631	371664929	/nfs/dbraw/zinc/66/49/29/371664929.db2.gz	HAPQNZDYZMUHBU-UHFFFAOYSA-N	0	1	294.336	2.576	50	5		CFBAMN
COc1ccccc1CNCc1cccc([N+](=O)[O-])c1	ZINC000004685547	371873437	/nfs/dbraw/zinc/87/34/37/371873437.db2.gz	IBFZQXIEQZDGTO-UHFFFAOYSA-N	0	1	272.304	2.893	50	5		CFBAMN
O=[N+]([O-])c1ccc([C@@H]2CN[C@@H](c3ccccc3)O2)cc1	ZINC000019370027	372158502	/nfs/dbraw/zinc/15/85/02/372158502.db2.gz	LKTFJJZWCRZHAS-LSDHHAIUSA-N	0	1	270.288	2.955	50	5		CFBAMN
O=C(Cc1n[nH]c2ccccc12)Nc1cccc([N+](=O)[O-])c1	ZINC000050535577	373379017	/nfs/dbraw/zinc/37/90/17/373379017.db2.gz	JYTPYLDGNZJOMT-UHFFFAOYSA-N	0	1	296.286	2.652	50	5		CFBAMN
CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@H]1CCSC1	ZINC000089935804	374970864	/nfs/dbraw/zinc/97/08/64/374970864.db2.gz	FDVGNKNHCFTEHP-JTQLQIEISA-N	0	1	293.348	2.673	50	5		CFBAMN
C/C=C(\C)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004980713	371877650	/nfs/dbraw/zinc/87/76/50/371877650.db2.gz	ZWDVOSRXGZFMEI-QLKAYGNNSA-N	0	1	275.352	2.683	50	5		CFBAMN
CCC[C@H](C)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-]	ZINC000058158617	373629726	/nfs/dbraw/zinc/62/97/26/373629726.db2.gz	AOKJDPQPIYRQTJ-LBPRGKRZSA-N	0	1	293.367	2.962	50	5		CFBAMN
O=[N+]([O-])c1ccc(Sc2nc(-c3ccco3)n[nH]2)nc1	ZINC000005448557	170100167	/nfs/dbraw/zinc/10/01/67/170100167.db2.gz	OBEVEYBVNHKUSD-UHFFFAOYSA-N	0	1	289.276	2.519	50	5		CFBAMN
CCc1cc(CNc2ccc(F)cc2[N+](=O)[O-])n[nH]1	ZINC000071900463	176294120	/nfs/dbraw/zinc/29/41/20/176294120.db2.gz	NVXCMRPXHLDAJQ-UHFFFAOYSA-N	0	1	264.260	2.632	50	5		CFBAMN
C[C@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000015261460	372081970	/nfs/dbraw/zinc/08/19/70/372081970.db2.gz	QSBIRCWSSNQVFO-NSHDSACASA-N	0	1	292.335	2.836	50	5		CFBAMN
O=[N+]([O-])c1ccc(O)c(Nc2ncnc3ccccc32)c1	ZINC000019792897	372188647	/nfs/dbraw/zinc/18/86/47/372188647.db2.gz	QLSMJIVZRRKZTM-UHFFFAOYSA-N	0	1	282.259	2.987	50	5		CFBAMN
CCC[C@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1	ZINC000058416097	373656678	/nfs/dbraw/zinc/65/66/78/373656678.db2.gz	LPDRBFLMWGNXHO-NSHDSACASA-N	0	1	294.355	2.669	50	5		CFBAMN
CC(C)(C)c1n[nH]cc1CNCc1cccc([N+](=O)[O-])c1	ZINC000066990985	373966336	/nfs/dbraw/zinc/96/63/36/373966336.db2.gz	VEBORUGPOMJYGB-UHFFFAOYSA-N	0	1	288.351	2.905	50	5		CFBAMN
Cc1ccc(-c2n[nH]c(-c3ccncc3)n2)c([N+](=O)[O-])c1	ZINC000000068105	169525097	/nfs/dbraw/zinc/52/50/97/169525097.db2.gz	OPSDEKSDADBOLJ-UHFFFAOYSA-N	0	1	281.275	2.750	50	5		CFBAMN
CCc1cc(CNc2ccc(C(C)=O)cc2[N+](=O)[O-])n[nH]1	ZINC000071900468	176293921	/nfs/dbraw/zinc/29/39/21/176293921.db2.gz	NJACRQBFIFGCLK-UHFFFAOYSA-N	0	1	288.307	2.695	50	5		CFBAMN
C[C@@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000023990706	372268886	/nfs/dbraw/zinc/26/88/86/372268886.db2.gz	LRQLTLRCDVAPPD-LLVKDONJSA-N	0	1	274.324	2.634	50	5		CFBAMN
CC(C)c1nc2cc(NC(=O)[C@@H]3C[C@H]3[N+](=O)[O-])ccc2o1	ZINC000052642093	373447142	/nfs/dbraw/zinc/44/71/42/373447142.db2.gz	WGVLXXXCIRREPZ-MWLCHTKSSA-N	0	1	289.291	2.555	50	5		CFBAMN
O=[N+]([O-])c1cccc(CN(CCO)Cc2ccccc2)c1	ZINC000059015845	373676618	/nfs/dbraw/zinc/67/66/18/373676618.db2.gz	VPCMRLOIFRDSFP-UHFFFAOYSA-N	0	1	286.331	2.589	50	5		CFBAMN
CCN(Cc1c(F)cccc1[N+](=O)[O-])CC1CC1	ZINC000070011480	374114529	/nfs/dbraw/zinc/11/45/29/374114529.db2.gz	KSXSTICCWQLWSQ-UHFFFAOYSA-N	0	1	252.289	2.966	50	5		CFBAMN
COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc([N+](=O)[O-])c1[O-]	ZINC000004989211	393459003	/nfs/dbraw/zinc/45/90/03/393459003.db2.gz	GZNWIDZNPDLZHS-PHIMTYICSA-N	0	1	294.351	2.787	50	5		CFBAMN
CC(C)CN(CC(=O)Nc1cccc([N+](=O)[O-])c1)C1CC1	ZINC000032777919	393514645	/nfs/dbraw/zinc/51/46/45/393514645.db2.gz	VYHCJRQRTNXEEH-UHFFFAOYSA-N	0	1	291.351	2.654	50	5		CFBAMN
C[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000021319408	171302717	/nfs/dbraw/zinc/30/27/17/171302717.db2.gz	BJDLAPBXGMHQKD-LLVKDONJSA-N	0	1	274.324	2.634	50	5		CFBAMN
O=c1cc(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1	ZINC000095952938	185040841	/nfs/dbraw/zinc/04/08/41/185040841.db2.gz	OABSOCGJVXDRKG-UHFFFAOYSA-N	0	1	281.271	2.741	50	5		CFBAMN
CCC[N@H+](Cc1cc(OC)c([O-])c([N+](=O)[O-])c1)CC1CC1	ZINC000000277574	371577059	/nfs/dbraw/zinc/57/70/59/371577059.db2.gz	OGVAVHHVZOBZBS-UHFFFAOYSA-N	0	1	294.351	2.931	50	5		CFBAMN
CCOc1ccc(Nc2[nH]nc(C)c2[N+](=O)[O-])cc1	ZINC000003998417	371827903	/nfs/dbraw/zinc/82/79/03/371827903.db2.gz	MQBCAOPCVXLIAG-UHFFFAOYSA-N	0	1	262.269	2.769	50	5		CFBAMN
COc1ccc(CNCc2ccc([N+](=O)[O-])cc2)cc1	ZINC000004685534	371873995	/nfs/dbraw/zinc/87/39/95/371873995.db2.gz	OQFATVNETYBUJI-UHFFFAOYSA-N	0	1	272.304	2.893	50	5		CFBAMN
O=[N+]([O-])c1ccc(N2CCN(Cc3ccccc3)CC2)cc1	ZINC000054965411	373531797	/nfs/dbraw/zinc/53/17/97/373531797.db2.gz	NKULTGZUGOISIZ-UHFFFAOYSA-N	0	1	297.358	2.917	50	5		CFBAMN
CCC[C@@H](C)N(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-]	ZINC000058158616	373627143	/nfs/dbraw/zinc/62/71/43/373627143.db2.gz	AOKJDPQPIYRQTJ-GFCCVEGCSA-N	0	1	293.367	2.962	50	5		CFBAMN
COc1cc(C[N@H+]2CCC[C@H](C)C2)cc([N+](=O)[O-])c1[O-]	ZINC000004988782	170049490	/nfs/dbraw/zinc/04/94/90/170049490.db2.gz	YNJCROCXSWJEJP-JTQLQIEISA-N	0	1	280.324	2.541	50	5		CFBAMN
Cc1ccc(NC(=O)CN2CCCCCC2)cc1[N+](=O)[O-]	ZINC000003345358	371793184	/nfs/dbraw/zinc/79/31/84/371793184.db2.gz	OGSLZFZPALKCTC-UHFFFAOYSA-N	0	1	291.351	2.718	50	5		CFBAMN
CC(C)c1nc2cc(NC(=O)[C@H]3C[C@@H]3[N+](=O)[O-])ccc2o1	ZINC000052642092	373447314	/nfs/dbraw/zinc/44/73/14/373447314.db2.gz	WGVLXXXCIRREPZ-ONGXEEELSA-N	0	1	289.291	2.555	50	5		CFBAMN
O=[N+]([O-])c1cc(CN(CCO)C2CCCCC2)cs1	ZINC000089764678	374947874	/nfs/dbraw/zinc/94/78/74/374947874.db2.gz	MRTHQQUHMUTUFK-UHFFFAOYSA-N	0	1	284.381	2.783	50	5		CFBAMN
O=[N+]([O-])c1cccc(CN[C@]2(CO)CCc3ccccc32)c1	ZINC000095429771	375445081	/nfs/dbraw/zinc/44/50/81/375445081.db2.gz	XZGPGAJBVIWHFV-KRWDZBQOSA-N	0	1	298.342	2.518	50	5		CFBAMN
Cc1ccc(CN2CCCSCC2)cc1[N+](=O)[O-]	ZINC000097058714	375506326	/nfs/dbraw/zinc/50/63/26/375506326.db2.gz	IWNIZFYPAYOGCB-UHFFFAOYSA-N	0	1	266.366	2.842	50	5		CFBAMN
Cc1c2c[nH]nc2c([N+](=O)[O-])cc1Br	ZINC000238503886	382980028	/nfs/dbraw/zinc/98/00/28/382980028.db2.gz	IRWIMKYSTQZEKJ-UHFFFAOYSA-N	0	1	256.059	2.542	50	5		CFBAMN
O=[N+]([O-])c1ccc(CNCc2ccc3c(c2)OCO3)cc1	ZINC000005007752	170054668	/nfs/dbraw/zinc/05/46/68/170054668.db2.gz	NDHKHEBAZMIMAZ-UHFFFAOYSA-N	0	1	286.287	2.613	50	5		CFBAMN
O=[N+]([O-])c1cc2c(cc1CN1CCCCCC1)OCO2	ZINC000002811134	371757330	/nfs/dbraw/zinc/75/73/30/371757330.db2.gz	OWJYKVSKEQAUAW-UHFFFAOYSA-N	0	1	278.308	2.700	50	5		CFBAMN
CCn1cc(CNC(C)(C)c2ccc([N+](=O)[O-])cc2)cn1	ZINC000080347085	374651122	/nfs/dbraw/zinc/65/11/22/374651122.db2.gz	VFRTXRZYYWSYCZ-UHFFFAOYSA-N	0	1	288.351	2.836	50	5		CFBAMN
Cc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1	ZINC000008189951	170323404	/nfs/dbraw/zinc/32/34/04/170323404.db2.gz	HBOQYJOTUPJUMF-UHFFFAOYSA-N	0	1	272.260	2.861	50	5		CFBAMN
COc1ccc(C)cc1Nc1[nH]nc(C)c1[N+](=O)[O-]	ZINC000006195999	170181899	/nfs/dbraw/zinc/18/18/99/170181899.db2.gz	MVUCVJUCOOSJDF-UHFFFAOYSA-N	0	1	262.269	2.687	50	5		CFBAMN
O=[N+]([O-])c1cnc(N2CCc3cnccc32)c(Cl)c1	ZINC000075103614	280381246	/nfs/dbraw/zinc/38/12/46/280381246.db2.gz	STPAUVAXIRYLNM-UHFFFAOYSA-N	0	1	276.683	2.732	50	5		CFBAMN
C[C@@H](O)CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000179953856	533713237	/nfs/dbraw/zinc/71/32/37/533713237.db2.gz	MVLPUBFCNHZDCZ-MLGOLLRUSA-N	0	1	286.331	2.655	50	5		CFBAMN
CCN(CC)CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl	ZINC000013006565	372009293	/nfs/dbraw/zinc/00/92/93/372009293.db2.gz	NKZYZRBGQRYFJZ-UHFFFAOYSA-N	0	1	285.731	2.529	50	5		CFBAMN
O=C(NC1CCCCC1)c1n[nH]c2ccc([N+](=O)[O-])cc21	ZINC000028026580	372357005	/nfs/dbraw/zinc/35/70/05/372357005.db2.gz	ZICZTZYYEWXJSV-UHFFFAOYSA-N	0	1	288.307	2.534	50	5		CFBAMN
CCC[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2[N+](=O)[O-])CC1	ZINC000058416094	373657061	/nfs/dbraw/zinc/65/70/61/373657061.db2.gz	LPDRBFLMWGNXHO-LLVKDONJSA-N	0	1	294.355	2.669	50	5		CFBAMN
CNc1ccc(CN[C@@H](C)c2ccncc2)cc1[N+](=O)[O-]	ZINC000069630615	374080701	/nfs/dbraw/zinc/08/07/01/374080701.db2.gz	GNOQDPBBJCEIEW-NSHDSACASA-N	0	1	286.335	2.882	50	5		CFBAMN
COc1cc(CN2CCC(C)CC2)c([N+](=O)[O-])cc1OC	ZINC000004989046	170050228	/nfs/dbraw/zinc/05/02/28/170050228.db2.gz	KZEQIBMBRUUQAW-UHFFFAOYSA-N	0	1	294.351	2.844	50	5		CFBAMN
CCOCC1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000071904343	176294890	/nfs/dbraw/zinc/29/48/90/176294890.db2.gz	LRDNPCPCQUUGBV-UHFFFAOYSA-N	0	1	278.352	2.843	50	5		CFBAMN
CN(Cc1nc2cc([N+](=O)[O-])ccc2o1)[C@@H]1CCSC1	ZINC000089935803	179885601	/nfs/dbraw/zinc/88/56/01/179885601.db2.gz	FDVGNKNHCFTEHP-SNVBAGLBSA-N	0	1	293.348	2.673	50	5		CFBAMN
O=C(Nc1ncccc1O)c1c(Cl)cccc1[N+](=O)[O-]	ZINC000097085040	304017512	/nfs/dbraw/zinc/01/75/12/304017512.db2.gz	MEXIZWNUEQYFQY-UHFFFAOYSA-N	0	1	293.666	2.601	50	5		CFBAMN
COc1ccc(CNCc2ccccc2[N+](=O)[O-])cc1	ZINC000019720502	372180820	/nfs/dbraw/zinc/18/08/20/372180820.db2.gz	YUMFEDPJTFIQCY-UHFFFAOYSA-N	0	1	272.304	2.893	50	5		CFBAMN
O=c1c2ccccc2[nH]c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-]	ZINC000004149836	285098546	/nfs/dbraw/zinc/09/85/46/285098546.db2.gz	HLMAGYKJGMJUIP-UHFFFAOYSA-N	0	1	285.215	2.910	50	5		CFBAMN
O=[N+]([O-])c1cccc(NS(=O)(=O)c2cccc(F)c2)c1	ZINC000007053232	170264686	/nfs/dbraw/zinc/26/46/86/170264686.db2.gz	KGJQEDYAFNDDMX-UHFFFAOYSA-N	0	1	296.279	2.535	50	5		CFBAMN
CN(CCc1ccncc1)Cc1cc(F)ccc1[N+](=O)[O-]	ZINC000181460381	189297450	/nfs/dbraw/zinc/29/74/50/189297450.db2.gz	HCGORAZUAGVYLY-UHFFFAOYSA-N	0	1	289.310	2.803	50	5		CFBAMN
Cc1ccc2nc(Sc3c([N+](=O)[O-])ncn3C)[nH]c2c1	ZINC000012596337	371977680	/nfs/dbraw/zinc/97/76/80/371977680.db2.gz	XHKQXEHCPHPPSO-UHFFFAOYSA-N	0	1	289.320	2.664	50	5		CFBAMN
CN(CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1F	ZINC000095999366	375467106	/nfs/dbraw/zinc/46/71/06/375467106.db2.gz	PAACGLRTBFDQPU-UHFFFAOYSA-N	0	1	289.310	2.803	50	5		CFBAMN
O=[N+]([O-])c1ccc(Cc2ncc3ccccn32)cc1	ZINC000008717015	170349386	/nfs/dbraw/zinc/34/93/86/170349386.db2.gz	MCELSPIQCKKTPP-UHFFFAOYSA-N	0	1	253.261	2.833	50	5		CFBAMN
COc1ccc(CNCc2ccc(C)c([N+](=O)[O-])c2)cn1	ZINC000035256604	172086687	/nfs/dbraw/zinc/08/66/87/172086687.db2.gz	GXOPWQVBPXRXPF-UHFFFAOYSA-N	0	1	287.319	2.597	50	5		CFBAMN
O=C1Nc2ccccc2/C1=C/c1cc([N+](=O)[O-])ccc1O	ZINC000036047259	280303587	/nfs/dbraw/zinc/30/35/87/280303587.db2.gz	IHPNTBRKJIIRJF-WQLSENKSSA-N	0	1	282.255	2.793	50	5		CFBAMN
O=[N+]([O-])c1ccc([C@H]2NCCc3sccc32)cc1	ZINC000020246608	280369712	/nfs/dbraw/zinc/36/97/12/280369712.db2.gz	ASFTWKZVZQBHNX-CYBMUJFWSA-N	0	1	260.318	2.891	50	5		CFBAMN
O=[N+]([O-])c1ccc([C@H]2CN[C@@H](c3ccccc3)O2)cc1	ZINC000019370028	326854980	/nfs/dbraw/zinc/85/49/80/326854980.db2.gz	LKTFJJZWCRZHAS-HUUCEWRRSA-N	0	1	270.288	2.955	50	5		CFBAMN
C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc[nH]1	ZINC000231676916	525653147	/nfs/dbraw/zinc/65/31/47/525653147.db2.gz	URNNBMLBQFBRJP-LURJTMIESA-N	0	1	267.676	2.539	50	5		CFBAMN
Cc1cc(NCc2ccnn2C)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083786	375510137	/nfs/dbraw/zinc/51/01/37/375510137.db2.gz	JIGDHDNAOPVASX-UHFFFAOYSA-N	0	1	297.318	2.797	50	5		CFBAMN
Cc1nnc(SCCCOc2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000048628490	412913263	/nfs/dbraw/zinc/91/32/63/412913263.db2.gz	XFKWYLHRIXWJBK-UHFFFAOYSA-N	0	1	294.336	2.583	50	5		CFBAMN
Nc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c2c1	ZINC000006025529	170169827	/nfs/dbraw/zinc/16/98/27/170169827.db2.gz	CUMAIOKVIJOHQX-UHFFFAOYSA-N	0	1	254.249	2.720	50	5		CFBAMN
O=[N+]([O-])c1ccc(-c2cc(-c3cccnc3)n[nH]2)o1	ZINC000004531434	371862815	/nfs/dbraw/zinc/86/28/15/371862815.db2.gz	BGTGIAZMEVOVOU-UHFFFAOYSA-N	0	1	256.221	2.640	50	5		CFBAMN
CSC[C@@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1	ZINC000075144089	374461834	/nfs/dbraw/zinc/46/18/34/374461834.db2.gz	DSBSNKCHNLBVLW-SNVBAGLBSA-N	0	1	284.356	2.919	50	5		CFBAMN
O=[N+]([O-])c1ccc([C@@H]2NCCc3sccc32)cc1	ZINC000020246605	285138747	/nfs/dbraw/zinc/13/87/47/285138747.db2.gz	ASFTWKZVZQBHNX-ZDUSSCGKSA-N	0	1	260.318	2.891	50	5		CFBAMN
Cc1c(CN[C@@H](C)c2cccc([N+](=O)[O-])c2C)cnn1C	ZINC000090887791	180053687	/nfs/dbraw/zinc/05/36/87/180053687.db2.gz	HKYFGPCOHJNHDT-NSHDSACASA-N	0	1	288.351	2.796	50	5		CFBAMN
O=[N+]([O-])c1ccccc1CNCc1ccc2c(c1)OCO2	ZINC000019642836	372179027	/nfs/dbraw/zinc/17/90/27/372179027.db2.gz	LJLXYZNLLHQCTQ-UHFFFAOYSA-N	0	1	286.287	2.613	50	5		CFBAMN
O=[N+]([O-])c1cccnc1Nc1ccc2cn[nH]c2c1	ZINC000009114774	170363801	/nfs/dbraw/zinc/36/38/01/170363801.db2.gz	WOQBEPKCYLYUAQ-UHFFFAOYSA-N	0	1	255.237	2.610	50	5		CFBAMN
CCc1cc(CNc2ccc([N+](=O)[O-])cc2F)n[nH]1	ZINC000071900464	176294184	/nfs/dbraw/zinc/29/41/84/176294184.db2.gz	ZGXVGYCUOCCXJX-UHFFFAOYSA-N	0	1	264.260	2.632	50	5		CFBAMN
O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1	ZINC000000304332	371583004	/nfs/dbraw/zinc/58/30/04/371583004.db2.gz	GJUOHQADBAPPAX-UHFFFAOYSA-N	0	1	296.279	2.535	50	5		CFBAMN
O=C(Nc1ccccc1)c1cc(O)cc([N+](=O)[O-])c1	ZINC000261494192	190039546	/nfs/dbraw/zinc/03/95/46/190039546.db2.gz	RSBCNKITDVAGRT-UHFFFAOYSA-N	0	1	258.233	2.553	50	5		CFBAMN
CCO[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000071915711	176299258	/nfs/dbraw/zinc/29/92/58/176299258.db2.gz	KLVAXBJDJBLCTA-CYBMUJFWSA-N	0	1	264.325	2.596	50	5		CFBAMN
COc1cc(CNc2ncc(C)s2)cc([N+](=O)[O-])c1O	ZINC000095939351	185035525	/nfs/dbraw/zinc/03/55/25/185035525.db2.gz	DITYLFLPFMVPSC-UHFFFAOYSA-N	0	1	295.320	2.686	50	5		CFBAMN
Cc1c(CN[C@H](C)c2cccc([N+](=O)[O-])c2C)cnn1C	ZINC000090887790	180054363	/nfs/dbraw/zinc/05/43/63/180054363.db2.gz	HKYFGPCOHJNHDT-LLVKDONJSA-N	0	1	288.351	2.796	50	5		CFBAMN
COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2O)cc1	ZINC000004582290	371866715	/nfs/dbraw/zinc/86/67/15/371866715.db2.gz	QXMLFPVHCBHIJM-UHFFFAOYSA-N	0	1	288.259	2.561	50	5		CFBAMN
CN(C)[C@@H](CNc1ccc([N+](=O)[O-])cn1)c1ccsc1	ZINC000026720272	372326834	/nfs/dbraw/zinc/32/68/34/372326834.db2.gz	VAWUBOLZBLQQDY-LBPRGKRZSA-N	0	1	292.364	2.766	50	5		CFBAMN
CCc1[nH]nc(NCc2cc(O)ccc2[N+](=O)[O-])c1C	ZINC000089280079	374893933	/nfs/dbraw/zinc/89/39/33/374893933.db2.gz	PTYXQCVPZLYYST-UHFFFAOYSA-N	0	1	276.296	2.506	50	5		CFBAMN
Cc1cc(NCc2cnn(C)c2)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083813	375510254	/nfs/dbraw/zinc/51/02/54/375510254.db2.gz	DSRRBDLRGAUYTF-UHFFFAOYSA-N	0	1	297.318	2.797	50	5		CFBAMN
O=[N+]([O-])c1cccc(CN2CCOCC3(CCC3)C2)c1	ZINC000368841492	381147538	/nfs/dbraw/zinc/14/75/38/381147538.db2.gz	FLWJLSQYZRFGGO-UHFFFAOYSA-N	0	1	276.336	2.597	50	5		CFBAMN
CC(C)(C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000100302658	393844161	/nfs/dbraw/zinc/84/41/61/393844161.db2.gz	KVOTXJRSBDMEPC-UHFFFAOYSA-N	0	1	261.281	2.734	50	5		CFBAMN
CCC(O)=C(Sc1ccccc1[N+](=O)[O-])C(C)=O	ZINC000102785020	397594632	/nfs/dbraw/zinc/59/46/32/397594632.db2.gz	UBOQKJJUGCQTHW-LBPRGKRZSA-N	0	1	267.306	2.624	50	5		CFBAMN
COc1ccccc1CNCc1ccc([N+](=O)[O-])cc1	ZINC000004996575	170052151	/nfs/dbraw/zinc/05/21/51/170052151.db2.gz	FBFXIEOAIORRAJ-UHFFFAOYSA-N	0	1	272.304	2.893	50	5		CFBAMN
O=C(CN1CCCCCCC1)Nc1cccc([N+](=O)[O-])c1	ZINC000005938139	170159513	/nfs/dbraw/zinc/15/95/13/170159513.db2.gz	UHSSMPNYWRJGDK-UHFFFAOYSA-N	0	1	291.351	2.799	50	5		CFBAMN
CCC(CC)C(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000008188147	170323514	/nfs/dbraw/zinc/32/35/14/170323514.db2.gz	DGFJOCIOVBOKGB-UHFFFAOYSA-N	0	1	252.270	2.675	50	5		CFBAMN
O=[N+]([O-])c1ccc(OCCN2CCCC2)c(Cl)c1	ZINC000072334156	176371102	/nfs/dbraw/zinc/37/11/02/176371102.db2.gz	XDYIXHGWJPBPKM-UHFFFAOYSA-N	0	1	270.716	2.723	50	5		CFBAMN
COc1ccc(C)cc1Nc1nc(C)[nH]c1[N+](=O)[O-]	ZINC000004902211	336188045	/nfs/dbraw/zinc/18/80/45/336188045.db2.gz	DZCOGEGDVBDXNB-UHFFFAOYSA-N	0	1	262.269	2.687	50	5		CFBAMN
CN(C)c1ccccc1NCc1cc(O)ccc1[N+](=O)[O-]	ZINC000097022827	185153392	/nfs/dbraw/zinc/15/33/92/185153392.db2.gz	VLQHJWBRVVUOJS-UHFFFAOYSA-N	0	1	287.319	2.979	50	5		CFBAMN
O=[N+]([O-])c1c(-c2ccccc2)n[nH]c1N1CCSCC1	ZINC000005532024	346211870	/nfs/dbraw/zinc/21/18/70/346211870.db2.gz	LDLQSHZJKVELCT-UHFFFAOYSA-N	0	1	290.348	2.538	50	5		CFBAMN
O=c1cc(-c2ccccc2)[nH]n1-c1cccc([N+](=O)[O-])c1	ZINC000101753109	347715957	/nfs/dbraw/zinc/71/59/57/347715957.db2.gz	KINIEOJFTNJCAZ-UHFFFAOYSA-N	0	1	281.271	2.736	50	5		CFBAMN
COc1cc(CN2CCCCCC2)c([N+](=O)[O-])cc1OC	ZINC000000239065	371564595	/nfs/dbraw/zinc/56/45/95/371564595.db2.gz	XZLTWNIJTYDWPZ-UHFFFAOYSA-N	0	1	294.351	2.988	50	5		CFBAMN
CCSc1n[nH]c2nc3nc4c(cccc4C)c-3nn12	ZINC000013572211	372034234	/nfs/dbraw/zinc/03/42/34/372034234.db2.gz	KZZJOPJMJGAMBJ-UHFFFAOYSA-N	0	1	284.348	2.574	50	5		CFBAMN
CN(C)[C@@H](CNc1ncccc1[N+](=O)[O-])c1ccsc1	ZINC000026720132	372326947	/nfs/dbraw/zinc/32/69/47/372326947.db2.gz	LQGDABMBNLBSKO-LBPRGKRZSA-N	0	1	292.364	2.766	50	5		CFBAMN
CN(C)[C@H](CNc1ncccc1[N+](=O)[O-])c1ccsc1	ZINC000026720137	372327063	/nfs/dbraw/zinc/32/70/63/372327063.db2.gz	LQGDABMBNLBSKO-GFCCVEGCSA-N	0	1	292.364	2.766	50	5		CFBAMN
COc1cc(CN[C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1	ZINC000062057945	373744456	/nfs/dbraw/zinc/74/44/56/373744456.db2.gz	PKKGTSAGJCZCGO-NSHDSACASA-N	0	1	287.319	2.849	50	5		CFBAMN
Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CC2[N+](=O)[O-])cc1C	ZINC000068123727	374022092	/nfs/dbraw/zinc/02/20/92/374022092.db2.gz	XEXLDJNRTMGIOQ-ILXRZTDVSA-N	0	1	288.347	2.632	50	5		CFBAMN
O=[N+]([O-])c1cccc(Nc2nc(Cl)nc3[nH]cnc32)c1	ZINC000145132286	378249635	/nfs/dbraw/zinc/24/96/35/378249635.db2.gz	CHOHUTWWDHJALH-UHFFFAOYSA-N	0	1	290.670	2.658	50	5		CFBAMN
O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1F	ZINC000000271471	169593360	/nfs/dbraw/zinc/59/33/60/169593360.db2.gz	XYLHEMHJHAWSEE-UHFFFAOYSA-N	0	1	296.279	2.535	50	5		CFBAMN
CC(C)(C)c1cc(=O)n(-c2ccc([N+](=O)[O-])cc2)[nH]1	ZINC000102847593	397594649	/nfs/dbraw/zinc/59/46/49/397594649.db2.gz	QWUJIUSBVNLZSP-UHFFFAOYSA-N	0	1	261.281	2.784	50	5		CFBAMN
COc1cc(CN2CCC[C@H](C)C2)c([N+](=O)[O-])cc1OC	ZINC000004987617	170049604	/nfs/dbraw/zinc/04/96/04/170049604.db2.gz	UJJALOZEQYDUJM-NSHDSACASA-N	0	1	294.351	2.844	50	5		CFBAMN
CC[C@@H](Nc1cc(C)ccc1[N+](=O)[O-])c1n[nH]c(C)n1	ZINC000095965713	185046016	/nfs/dbraw/zinc/04/60/16/185046016.db2.gz	BKPKXFVLHHRDTF-SNVBAGLBSA-N	0	1	275.312	2.893	50	5		CFBAMN
CC(C)OC1CCN(Cc2ccccc2[N+](=O)[O-])CC1	ZINC000075607043	347086546	/nfs/dbraw/zinc/08/65/46/347086546.db2.gz	IDXKAZAQJIMUHC-UHFFFAOYSA-N	0	1	278.352	2.984	50	5		CFBAMN
Nc1nc2ccccc2n1CCOc1ccc([N+](=O)[O-])cc1	ZINC000000239238	371564278	/nfs/dbraw/zinc/56/42/78/371564278.db2.gz	BBZDRZVOXIIGNA-UHFFFAOYSA-N	0	1	298.302	2.606	50	5		CFBAMN
Cc1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1	ZINC000000581182	371642156	/nfs/dbraw/zinc/64/21/56/371642156.db2.gz	KWOATKLHXVTQIG-UHFFFAOYSA-N	0	1	292.316	2.704	50	5		CFBAMN
O=[N+]([O-])c1cnc(Nc2ccccc2)c([N+](=O)[O-])c1	ZINC000003921342	371826132	/nfs/dbraw/zinc/82/61/32/371826132.db2.gz	VSPIDMLZNKKFOW-UHFFFAOYSA-N	0	1	260.209	2.642	50	5		CFBAMN
COc1ccc(NC(=O)c2ccccc2O)c([N+](=O)[O-])c1	ZINC000004300051	371849652	/nfs/dbraw/zinc/84/96/52/371849652.db2.gz	YILLZUBIBYVGNB-UHFFFAOYSA-N	0	1	288.259	2.561	50	5		CFBAMN
COc1cc(CN[C@H](C)c2cccc([N+](=O)[O-])c2)ccn1	ZINC000062057946	373744845	/nfs/dbraw/zinc/74/48/45/373744845.db2.gz	PKKGTSAGJCZCGO-LLVKDONJSA-N	0	1	287.319	2.849	50	5		CFBAMN
COc1cc(CN2CCC[C@@H](C)C2)c([N+](=O)[O-])cc1OC	ZINC000004987616	170049324	/nfs/dbraw/zinc/04/93/24/170049324.db2.gz	UJJALOZEQYDUJM-LLVKDONJSA-N	0	1	294.351	2.844	50	5		CFBAMN
O=[N+]([O-])c1cc(C[N@H+]2CCc3ccccc3C2)ccc1[O-]	ZINC000004985464	619075976	/nfs/dbraw/zinc/07/59/76/619075976.db2.gz	XPEPVEPMUFECDO-UHFFFAOYSA-N	0	1	284.315	2.859	50	5		CFBAMN
O=[N+]([O-])c1cccc(CNCc2ccc3c(c2)OCO3)c1	ZINC000016399865	372105231	/nfs/dbraw/zinc/10/52/31/372105231.db2.gz	ADWFLNIYARMNHB-UHFFFAOYSA-N	0	1	286.287	2.613	50	5		CFBAMN
CNc1ccc(CN[C@H](C)c2ccncc2)cc1[N+](=O)[O-]	ZINC000069630617	374080380	/nfs/dbraw/zinc/08/03/80/374080380.db2.gz	GNOQDPBBJCEIEW-LLVKDONJSA-N	0	1	286.335	2.882	50	5		CFBAMN
Cc1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1	ZINC000004846081	170029568	/nfs/dbraw/zinc/02/95/68/170029568.db2.gz	AISQTWGERVORAW-UHFFFAOYSA-N	0	1	292.316	2.704	50	5		CFBAMN
CN(Cc1ccccc1[N+](=O)[O-])C[C@H](O)c1ccccc1	ZINC000040086155	174187525	/nfs/dbraw/zinc/18/75/25/174187525.db2.gz	IVGNISLWMQHHFW-INIZCTEOSA-N	0	1	286.331	2.760	50	5		CFBAMN
O=[N+]([O-])c1ccc([C@@H]2CN[C@H](c3ccccc3)O2)cc1	ZINC000019370030	326855126	/nfs/dbraw/zinc/85/51/26/326855126.db2.gz	LKTFJJZWCRZHAS-GJZGRUSLSA-N	0	1	270.288	2.955	50	5		CFBAMN
Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1C	ZINC000068123731	374022009	/nfs/dbraw/zinc/02/20/09/374022009.db2.gz	XEXLDJNRTMGIOQ-KKUMJFAQSA-N	0	1	288.347	2.632	50	5		CFBAMN
CSC[C@H]1CCN(Cc2c(F)cccc2[N+](=O)[O-])C1	ZINC000075144092	374461756	/nfs/dbraw/zinc/46/17/56/374461756.db2.gz	DSBSNKCHNLBVLW-JTQLQIEISA-N	0	1	284.356	2.919	50	5		CFBAMN
O=[N+]([O-])c1cc2[nH]nc(Cl)c2cc1Br	ZINC000076914680	285098349	/nfs/dbraw/zinc/09/83/49/285098349.db2.gz	LFBVQNHVYIPVOU-UHFFFAOYSA-N	0	1	276.477	2.887	50	5		CFBAMN
COc1cc(C[N@H+]2CCC[C@@H](C)C2)cc([N+](=O)[O-])c1[O-]	ZINC000004988780	170049566	/nfs/dbraw/zinc/04/95/66/170049566.db2.gz	YNJCROCXSWJEJP-SNVBAGLBSA-N	0	1	280.324	2.541	50	5		CFBAMN
C[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000021319414	171302572	/nfs/dbraw/zinc/30/25/72/171302572.db2.gz	BJDLAPBXGMHQKD-NSHDSACASA-N	0	1	274.324	2.634	50	5		CFBAMN
C[C@@H]1CCCCN1Cc1cc([N+](=O)[O-])cc2c1OCOC2	ZINC000015261458	274286468	/nfs/dbraw/zinc/28/64/68/274286468.db2.gz	QSBIRCWSSNQVFO-LLVKDONJSA-N	0	1	292.335	2.836	50	5		CFBAMN
Cc1ccccc1C(=O)Nc1ccc([N+](=O)[O-])cc1O	ZINC000013843280	372051481	/nfs/dbraw/zinc/05/14/81/372051481.db2.gz	QGUZLVYAHRJNSQ-UHFFFAOYSA-N	0	1	272.260	2.861	50	5		CFBAMN
O=c1cc(-c2ccccc2)[nH]n1-c1ccc([N+](=O)[O-])cc1	ZINC000018217717	372145779	/nfs/dbraw/zinc/14/57/79/372145779.db2.gz	HLGVWDSKISYREV-UHFFFAOYSA-N	0	1	281.271	2.736	50	5	in-vivo	CFBAMN
C[C@H]1CCCN(Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000023990707	372268751	/nfs/dbraw/zinc/26/87/51/372268751.db2.gz	LRQLTLRCDVAPPD-NSHDSACASA-N	0	1	274.324	2.634	50	5		CFBAMN
Cc1cnc(SCc2cc(O)ccc2[N+](=O)[O-])nc1	ZINC000253424518	189991377	/nfs/dbraw/zinc/99/13/77/189991377.db2.gz	HKFBRBIVAGUITE-UHFFFAOYSA-N	0	1	277.305	2.691	50	5		CFBAMN
O=[N+]([O-])c1cccc(CN[C@@]2(CO)CCc3ccccc32)c1	ZINC000095429772	375445448	/nfs/dbraw/zinc/44/54/48/375445448.db2.gz	XZGPGAJBVIWHFV-QGZVFWFLSA-N	0	1	298.342	2.518	50	5		CFBAMN
CCCCN(C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-]	ZINC000004987754	170049668	/nfs/dbraw/zinc/04/96/68/170049668.db2.gz	QUUTZNVDWUIYNW-UHFFFAOYSA-N	0	1	282.340	2.844	50	5		CFBAMN
O=[N+]([O-])c1ccc(Nc2ccncc2)c([N+](=O)[O-])c1	ZINC000035141160	172009009	/nfs/dbraw/zinc/00/90/09/172009009.db2.gz	OLNFKOBXDCHWIS-UHFFFAOYSA-N	0	1	260.209	2.642	50	5		CFBAMN
O=C(Nc1ccc([N+](=O)[O-])cc1O)c1ccccc1	ZINC000004014687	371827399	/nfs/dbraw/zinc/82/73/99/371827399.db2.gz	UXCBYNIQABJIOQ-UHFFFAOYSA-N	0	1	258.233	2.553	50	5		CFBAMN
CCC(O)=C(Sc1ccc([N+](=O)[O-])cc1)C(C)=O	ZINC000036278454	372569476	/nfs/dbraw/zinc/56/94/76/372569476.db2.gz	UGWBOKDPLHFXNH-LBPRGKRZSA-N	0	1	267.306	2.624	50	5		CFBAMN
CC(C)c1nc2cc(NC(=O)[C@@H]3C[C@@H]3[N+](=O)[O-])ccc2o1	ZINC000052642091	373449023	/nfs/dbraw/zinc/44/90/23/373449023.db2.gz	WGVLXXXCIRREPZ-KOLCDFICSA-N	0	1	289.291	2.555	50	5		CFBAMN
CCCCN1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000058339092	373646057	/nfs/dbraw/zinc/64/60/57/373646057.db2.gz	JEGBOJWRKSDPDB-UHFFFAOYSA-N	0	1	263.341	2.517	50	5		CFBAMN
O=[N+]([O-])c1cccc(CN2CC[C@H](Oc3ccncc3)C2)c1	ZINC000084380168	374776300	/nfs/dbraw/zinc/77/63/00/374776300.db2.gz	TVPJEUUDEFWXJJ-INIZCTEOSA-N	0	1	299.330	2.643	50	5		CFBAMN
O=[N+]([O-])c1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1	ZINC000084380170	374776807	/nfs/dbraw/zinc/77/68/07/374776807.db2.gz	TVPJEUUDEFWXJJ-MRXNPFEDSA-N	0	1	299.330	2.643	50	5		CFBAMN
Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CC2[N+](=O)[O-])cc1C	ZINC000242191355	382985656	/nfs/dbraw/zinc/98/56/56/382985656.db2.gz	XEXLDJNRTMGIOQ-SOUVJXGZSA-N	0	1	288.347	2.632	50	5		CFBAMN
COc1cc(C2SCCS2)cc([N+](=O)[O-])c1O	ZINC000034800314	372513781	/nfs/dbraw/zinc/51/37/81/372513781.db2.gz	ULFUOXVLFBJQIK-UHFFFAOYSA-N	0	1	273.335	2.788	50	5		CFBAMN
CC(C)c1nc2cc(NC(=O)[C@H]3C[C@H]3[N+](=O)[O-])ccc2o1	ZINC000052642094	373449195	/nfs/dbraw/zinc/44/91/95/373449195.db2.gz	WGVLXXXCIRREPZ-GXSJLCMTSA-N	0	1	289.291	2.555	50	5		CFBAMN
C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1nnc[nH]1	ZINC000231676914	525704484	/nfs/dbraw/zinc/70/44/84/525704484.db2.gz	URNNBMLBQFBRJP-ZCFIWIBFSA-N	0	1	267.676	2.539	50	5		CFBAMN
O=[N+]([O-])c1cccc(COc2ccccc2-c2nnc[nH]2)c1	ZINC000095437203	375449439	/nfs/dbraw/zinc/44/94/39/375449439.db2.gz	LOYQUBCCKLXJRI-UHFFFAOYSA-N	0	1	296.286	2.959	50	5		CFBAMN
O=[N+]([O-])c1ccc(-c2nnc(CNC3CCCC3)o2)cc1	ZINC000004200340	169943485	/nfs/dbraw/zinc/94/34/85/169943485.db2.gz	DXQGHPMOABEZDJ-UHFFFAOYSA-N	0	1	288.307	2.677	50	5		CFBAMN
COc1cccc(Nc2ncc([N+](=O)[O-])cc2[N+](=O)[O-])c1	ZINC000003879136	371822669	/nfs/dbraw/zinc/82/26/69/371822669.db2.gz	AJUYMKFAEUJKQV-UHFFFAOYSA-N	0	1	290.235	2.650	50	5		CFBAMN
CN(C)[C@H](CNc1ccc([N+](=O)[O-])cn1)c1ccsc1	ZINC000026720277	372327842	/nfs/dbraw/zinc/32/78/42/372327842.db2.gz	VAWUBOLZBLQQDY-GFCCVEGCSA-N	0	1	292.364	2.766	50	5		CFBAMN
CCC(O)=C(Sc1ccccc1[N+](=O)[O-])C(C)=O	ZINC000102785018	397594598	/nfs/dbraw/zinc/59/45/98/397594598.db2.gz	UBOQKJJUGCQTHW-GFCCVEGCSA-N	0	1	267.306	2.624	50	5		CFBAMN
CC(C)CSc1n[nH]c2nc3nc4ccccc4c-3nn12	ZINC000005685981	170129170	/nfs/dbraw/zinc/12/91/70/170129170.db2.gz	DBKGMRXUJYVCDZ-UHFFFAOYSA-N	0	1	298.375	2.902	50	5		CFBAMN
O=[N+]([O-])c1ccc(Sc2nc(-c3ccccc3)n[nH]2)nc1	ZINC000005687908	170129619	/nfs/dbraw/zinc/12/96/19/170129619.db2.gz	LKVAWRWPFQPZAP-UHFFFAOYSA-N	0	1	299.315	2.926	50	5		CFBAMN
C[C@@H](O)CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1	ZINC000179953826	230395694	/nfs/dbraw/zinc/39/56/94/230395694.db2.gz	MVLPUBFCNHZDCZ-WBMJQRKESA-N	0	1	286.331	2.655	50	5		CFBAMN
Cc1nn(C)c(C)c1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]	ZINC000004713615	282264714	/nfs/dbraw/zinc/26/47/14/282264714.db2.gz	ONIVSNUUQAZLSI-UHFFFAOYSA-N	0	1	291.267	2.597	50	5		CFBAMN
O=C(Nc1ccccc1)Nc1ccc([N+](=O)[O-])cc1O	ZINC000003936851	371826099	/nfs/dbraw/zinc/82/60/99/371826099.db2.gz	SAUHQYBXEGARCC-UHFFFAOYSA-N	0	1	273.248	2.944	50	5	in-vivo	CFBAMN
O=c1c(-c2ccccc2)c[nH]n1-c1cccc([N+](=O)[O-])c1	ZINC000013597018	372036596	/nfs/dbraw/zinc/03/65/96/372036596.db2.gz	IFHVHRQHVSBXAS-UHFFFAOYSA-N	0	1	281.271	2.741	50	5		CFBAMN
Cc1cc(=O)n(-c2ccc(C(F)(F)F)cc2[N+](=O)[O-])[nH]1	ZINC000003921152	393457352	/nfs/dbraw/zinc/45/73/52/393457352.db2.gz	HKXHVANNDMHCTP-UHFFFAOYSA-N	0	1	287.197	2.726	50	5		CFBAMN
O=C(Nc1ccc2nc[nH]c2c1)c1ccc([N+](=O)[O-])cc1	ZINC000006188170	170181466	/nfs/dbraw/zinc/18/14/66/170181466.db2.gz	BXEMGKXPFJMTRR-UHFFFAOYSA-N	0	1	282.259	2.723	50	5		CFBAMN
CCO[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1	ZINC000071915712	176299580	/nfs/dbraw/zinc/29/95/80/176299580.db2.gz	KLVAXBJDJBLCTA-ZDUSSCGKSA-N	0	1	264.325	2.596	50	5		CFBAMN