smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
[NH3+][C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1ccc([N+](=O)[O-])cc1Cl	ZINC000038050111	202094272	/nfs/dbraw/zinc/09/42/72/202094272.db2.gz	YBDFKHHIQAPZQC-GHMZBOCLSA-N	0	3	333.797	1.796	50	5		EDBAHN
Cc1cc(S(=O)(=O)N(C)[C@H]2CCN(C)C[C@H]2C)ccc1[N+](=O)[O-]	ZINC000110625573	441519453	/nfs/dbraw/zinc/51/94/53/441519453.db2.gz	JAFOOYAQBSZXKN-OCCSQVGLSA-N	0	3	341.433	1.864	50	5		EDBAHN
CCN1CCC[C@@H]1CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000015164203	441197125	/nfs/dbraw/zinc/19/71/25/441197125.db2.gz	GUAYITUENNUSDH-LLVKDONJSA-N	0	3	342.421	1.399	50	5		EDBAHN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@@H](C(C)C)N(C)C	ZINC000040105625	202169251	/nfs/dbraw/zinc/16/92/51/202169251.db2.gz	NSBOCPKGKDPDRA-ZDUSSCGKSA-N	0	3	329.422	1.768	50	5		EDBAHN
COc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc(Br)c1O	ZINC000000085988	440796984	/nfs/dbraw/zinc/79/69/84/440796984.db2.gz	YXUKMPOZDZNNOS-LDYMZIIASA-N	0	3	345.149	1.760	50	5		EDBAHN
CN1CCC[C@@H](CNS(=O)(=O)CCc2ccc([N+](=O)[O-])cc2)C1	ZINC000096001960	441976348	/nfs/dbraw/zinc/97/63/48/441976348.db2.gz	IBMZBJYQPHFAOF-AWEZNQCLSA-N	0	3	341.433	1.399	50	5		EDBAHN
CC[C@@H](O)CN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000095443121	441928794	/nfs/dbraw/zinc/92/87/94/441928794.db2.gz	OHYGQDLNXJAAQP-OAHLLOKOSA-N	0	3	336.392	1.952	50	5		EDBAHN
CCN1CCCC[C@@H]1CNc1cc(S(N)(=O)=O)ccc1[N+](=O)[O-]	ZINC000585092883	448674189	/nfs/dbraw/zinc/67/41/89/448674189.db2.gz	SEXNMVBZERXSHL-LLVKDONJSA-N	0	3	342.421	1.529	50	5		EDBAHN
COCCN1CC[C@@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000069663424	203034304	/nfs/dbraw/zinc/03/43/04/203034304.db2.gz	QOHAMZVVASRBAU-NSHDSACASA-N	0	3	341.795	1.946	50	5		EDBAHN
O=[N+]([O-])c1cccc(CS(=O)(=O)N[C@H]2CCN(CC3CC3)C2)c1	ZINC000095433781	218376878	/nfs/dbraw/zinc/37/68/78/218376878.db2.gz	NKXGFJCFTRSUJH-AWEZNQCLSA-N	0	3	339.417	1.499	50	5		EDBAHN
Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1	ZINC000097229396	442188118	/nfs/dbraw/zinc/18/81/18/442188118.db2.gz	AQYPQYAHAUIOOM-RYUDHWBXSA-N	0	3	327.406	1.699	50	5		EDBAHN
Cc1ccc(S(=O)(=O)[N-][C@H]2CCCC[C@@H]2C[NH3+])c([N+](=O)[O-])c1	ZINC000097229393	325706252	/nfs/dbraw/zinc/70/62/52/325706252.db2.gz	AQYPQYAHAUIOOM-NEPJUHHUSA-N	0	3	327.406	1.699	50	5		EDBAHN
O=c1ccc([N+](=O)[O-])cn1C[C@@H](O)CN1CCc2ccccc2C1	ZINC000089861153	441587174	/nfs/dbraw/zinc/58/71/74/441587174.db2.gz	OKHSUXOCFOUWTP-INIZCTEOSA-N	0	3	329.356	1.176	50	5		EDBAHN
Cc1cc(N2C[C@H]3OCCN(C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083940	442163880	/nfs/dbraw/zinc/16/38/80/442163880.db2.gz	HYENLCWJSNXJAY-DLBZAZTESA-N	0	3	328.372	1.971	50	5		EDBAHN
Cc1ccc(S(=O)(=O)[N-][C@@H]2CCCC[C@H]2C[NH3+])c([N+](=O)[O-])c1	ZINC000097229394	325706345	/nfs/dbraw/zinc/70/63/45/325706345.db2.gz	AQYPQYAHAUIOOM-NWDGAFQWSA-N	0	3	327.406	1.699	50	5		EDBAHN
[NH3+]C[C@H]1CC[C@H](C[N-]S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1	ZINC000577373071	321646564	/nfs/dbraw/zinc/64/65/64/321646564.db2.gz	HOFHCOFHWUHIOC-HAQNSBGRSA-N	0	3	327.406	1.638	50	5		EDBAHN
C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1	ZINC000241644669	443208041	/nfs/dbraw/zinc/20/80/41/443208041.db2.gz	PSPHKHMIVKOPMK-WMLDXEAASA-N	0	3	335.404	1.626	50	5		EDBAHN
C[C@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1O	ZINC000189655334	533921661	/nfs/dbraw/zinc/92/16/61/533921661.db2.gz	IFWDOHONBGLFSX-HZMBPMFUSA-N	0	3	325.340	1.765	50	5		EDBAHN
O=[N+]([O-])c1ccc(-c2noc3c(O)n(-c4ccccc4)c(O)c23)cc1	ZINC000103591183	280319791	/nfs/dbraw/zinc/31/97/91/280319791.db2.gz	LCCZFLWFZTYNPY-DZGCQCFKSA-N	0	3	337.291	1.887	50	5		EDBAHN
Cc1sc(S(=O)(=O)NC[C@H](C2CC2)N(C)C)cc1[N+](=O)[O-]	ZINC000123245354	441882448	/nfs/dbraw/zinc/88/24/48/441882448.db2.gz	WUQAEHFXSIMCQL-LLVKDONJSA-N	0	3	333.435	1.583	50	5		EDBAHN
CCCc1n[nH]c(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-]	ZINC000073108580	216350486	/nfs/dbraw/zinc/35/04/86/216350486.db2.gz	LVELWMPAGKIJAP-LBPRGKRZSA-N	0	3	335.408	1.971	50	5		EDBAHN
CCCc1[nH]nc(C(=O)N2CCC[C@H](N3CCCC3)C2)c1[N+](=O)[O-]	ZINC000073108580	216350490	/nfs/dbraw/zinc/35/04/90/216350490.db2.gz	LVELWMPAGKIJAP-LBPRGKRZSA-N	0	3	335.408	1.971	50	5		EDBAHN
Cc1ccc(S(=O)(=O)N2CCCN3CCC[C@H]3C2)c([N+](=O)[O-])c1	ZINC000248009628	442877435	/nfs/dbraw/zinc/87/74/35/442877435.db2.gz	IFVQMVAUOUJKHW-ZDUSSCGKSA-N	0	3	339.417	1.762	50	5		EDBAHN
NC(=O)C1(N2CCCCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000004624249	440922925	/nfs/dbraw/zinc/92/29/25/440922925.db2.gz	BSHIPHUVEMJKOW-UHFFFAOYSA-N	0	3	332.404	1.905	50	5		EDBAHN
Cc1n[nH]c(C(=O)NCCc2cccc(CN(C)C)c2)c1[N+](=O)[O-]	ZINC000071896223	441187862	/nfs/dbraw/zinc/18/78/62/441187862.db2.gz	XRLCWHMBGYSZPS-UHFFFAOYSA-N	0	3	331.376	1.660	50	5		EDBAHN
O=C(NCC1(N2CCCCC2)CCOCC1)c1ccc([N+](=O)[O-])o1	ZINC000075136718	441501982	/nfs/dbraw/zinc/50/19/82/441501982.db2.gz	WZGHYTBILXWMLM-UHFFFAOYSA-N	0	3	337.376	1.953	50	5		EDBAHN
CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000109839985	441510263	/nfs/dbraw/zinc/51/02/63/441510263.db2.gz	FKVYPIIORLOZOD-NSHDSACASA-N	0	3	347.824	1.963	50	5		EDBAHN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@H]2CC[NH2+][C@H](C)C2)c1	ZINC000262746070	139300764	/nfs/dbraw/zinc/30/07/64/139300764.db2.gz	DYRIYMJVKUKTIL-ZJUUUORDSA-N	0	3	347.824	1.975	50	5		EDBAHN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCCCN1CCCC1	ZINC000058156020	441154144	/nfs/dbraw/zinc/15/41/44/441154144.db2.gz	CIJGGHRWMFACTQ-UHFFFAOYSA-N	0	3	327.406	1.667	50	5		EDBAHN
[NH3+]C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000170684839	442248724	/nfs/dbraw/zinc/24/87/24/442248724.db2.gz	MXZFDMDWNQPYMA-NOZJJQNGSA-N	0	3	331.369	1.530	50	5		EDBAHN
CC1(C[N-]S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1	ZINC000181225839	527985627	/nfs/dbraw/zinc/98/56/27/527985627.db2.gz	ZQCTZUBYLZWBMK-UHFFFAOYSA-N	0	3	347.824	1.916	50	5		EDBAHN
C[C@@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@H]1N1CCOCC1	ZINC000241644668	443207831	/nfs/dbraw/zinc/20/78/31/443207831.db2.gz	PSPHKHMIVKOPMK-RHSMWYFYSA-N	0	3	335.404	1.626	50	5		EDBAHN
CN(C)[C@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1	ZINC000195576809	241023616	/nfs/dbraw/zinc/02/36/16/241023616.db2.gz	UDLQZUOBRLTJKE-MNOVXSKESA-N	0	3	327.406	1.893	50	5		EDBAHN
O=[N+]([O-])c1ccc(OC[C@H](O)CNCc2ccc3c(c2)OCO3)cc1	ZINC000000119216	258047310	/nfs/dbraw/zinc/04/73/10/258047310.db2.gz	UEROOYQDAGMXDY-CQSZACIVSA-N	0	3	346.339	1.853	50	5		EDBAHN
COCCN1CC[C@H](CNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000069663421	442006289	/nfs/dbraw/zinc/00/62/89/442006289.db2.gz	QOHAMZVVASRBAU-LLVKDONJSA-N	0	3	341.795	1.946	50	5		EDBAHN
C[C@H](N[C@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000252485810	443029557	/nfs/dbraw/zinc/02/95/57/443029557.db2.gz	AJZHESPFPSKFCE-GDLCADMTSA-N	0	3	334.376	1.556	50	5		EDBAHN
CCc1n[nH]c(C(=O)N[C@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-]	ZINC000171804318	529468698	/nfs/dbraw/zinc/46/86/98/529468698.db2.gz	MDCNOGQQMWETDP-GRYCIOLGSA-N	0	3	337.424	1.977	50	5		EDBAHN
CS[C@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N(C)C	ZINC000270674057	140145554	/nfs/dbraw/zinc/14/55/54/140145554.db2.gz	SDDHUOZBBZBYDN-KGLIPLIRSA-N	0	3	338.433	1.171	50	5		EDBAHN
Cc1cc(S(=O)(=O)NC[C@H]2CCCN(C)C2)ccc1[N+](=O)[O-]	ZINC000072286234	441221552	/nfs/dbraw/zinc/22/15/52/441221552.db2.gz	IVLHAMCOTVQALD-GFCCVEGCSA-N	0	3	327.406	1.523	50	5		EDBAHN
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCCCN1CCCC1	ZINC000058007220	214469335	/nfs/dbraw/zinc/46/93/35/214469335.db2.gz	CBAMAMKIMXYQGU-UHFFFAOYSA-N	0	3	327.406	1.667	50	5		EDBAHN
O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000095977816	441967408	/nfs/dbraw/zinc/96/74/08/441967408.db2.gz	LBQPFPGXNANSOS-VXGBXAGGSA-N	0	3	339.779	1.841	50	5		EDBAHN
CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCN1	ZINC000585139250	448708395	/nfs/dbraw/zinc/70/83/95/448708395.db2.gz	BZFGOGKUUCQWTN-NSHDSACASA-N	0	3	327.406	1.577	50	5		EDBAHN
C[C@@H]1CN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)CC[C@@H]1O	ZINC000189655315	237109920	/nfs/dbraw/zinc/10/99/20/237109920.db2.gz	IFWDOHONBGLFSX-YGRLFVJLSA-N	0	3	325.340	1.765	50	5		EDBAHN
O=[N+]([O-])c1cccc(CNC[C@]2(N3CCOCC3)CCSC2)c1	ZINC000067218601	441618647	/nfs/dbraw/zinc/61/86/47/441618647.db2.gz	MFAMNXHLJNZZIW-MRXNPFEDSA-N	0	3	337.445	1.892	50	5		EDBAHN
O=C(C1CCN(CCn2cc([N+](=O)[O-])cn2)CC1)N1CCCCCC1	ZINC000078972571	442001695	/nfs/dbraw/zinc/00/16/95/442001695.db2.gz	FYRFCCCJGAQELS-UHFFFAOYSA-N	0	3	349.435	1.906	50	5		EDBAHN
COCCN1CC[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000069456145	215427815	/nfs/dbraw/zinc/42/78/15/215427815.db2.gz	KFWBNEYYNYZCJL-LLVKDONJSA-N	0	3	341.795	1.946	50	5		EDBAHN
CCc1cc(N2CCN[C@H](CO)C2)nc(-c2ccc([N+](=O)[O-])cc2)n1	ZINC000952993309	708038777	/nfs/dbraw/zinc/03/87/77/708038777.db2.gz	WUIOGQBSKIUKLA-AWEZNQCLSA-N	0	3	343.387	1.385	50	5		EDBAHN
CCc1n[nH]c(C(=O)N[C@@H](C)CN2C[C@H](C)C[C@H](C)C2)c1[N+](=O)[O-]	ZINC000171804316	529468237	/nfs/dbraw/zinc/46/82/37/529468237.db2.gz	MDCNOGQQMWETDP-TUAOUCFPSA-N	0	3	337.424	1.977	50	5		EDBAHN
Cc1nc(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1	ZINC000095432622	218374648	/nfs/dbraw/zinc/37/46/48/218374648.db2.gz	WHVDEEJYVJJBCC-OAHLLOKOSA-N	0	3	331.376	1.934	50	5		EDBAHN
Cc1n[nH]c(C2CCN(C[C@@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000095432622	218374651	/nfs/dbraw/zinc/37/46/51/218374651.db2.gz	WHVDEEJYVJJBCC-OAHLLOKOSA-N	0	3	331.376	1.934	50	5		EDBAHN
COCCN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2F)C1	ZINC000069700510	442013013	/nfs/dbraw/zinc/01/30/13/442013013.db2.gz	SXXFYNWTLKYTLB-NSHDSACASA-N	0	3	325.340	1.432	50	5		EDBAHN
CCN1CCC[C@H]1CNc1ccc(S(=O)(=O)NC)cc1[N+](=O)[O-]	ZINC000015164205	441197296	/nfs/dbraw/zinc/19/72/96/441197296.db2.gz	GUAYITUENNUSDH-NSHDSACASA-N	0	3	342.421	1.399	50	5		EDBAHN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@H](O)CN1CCC(C)CC1	ZINC000096407862	442115732	/nfs/dbraw/zinc/11/57/32/442115732.db2.gz	VDCVEBPEWYGMQZ-HNNXBMFYSA-N	0	3	335.404	1.726	50	5		EDBAHN
Cc1cc([N+](=O)[O-])ccc1C(=O)NC[C@@H](O)CN1CCC(C)CC1	ZINC000096407863	442115982	/nfs/dbraw/zinc/11/59/82/442115982.db2.gz	VDCVEBPEWYGMQZ-OAHLLOKOSA-N	0	3	335.404	1.726	50	5		EDBAHN
O=[N+]([O-])c1ccc(-c2noc3c(O)n(-c4ccccc4)c(O)c23)cc1	ZINC000103591186	219316203	/nfs/dbraw/zinc/31/62/03/219316203.db2.gz	LCCZFLWFZTYNPY-UKRRQHHQSA-N	0	3	337.291	1.887	50	5		EDBAHN
CN1CCN(CCCn2cc(Br)c([N+](=O)[O-])n2)CC1	ZINC000170599535	442233765	/nfs/dbraw/zinc/23/37/65/442233765.db2.gz	QLQSMURDQAQWBI-UHFFFAOYSA-N	0	3	332.202	1.191	50	5		EDBAHN
CCN1CCC[C@@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000041761480	441672046	/nfs/dbraw/zinc/67/20/46/441672046.db2.gz	GOQLAQPTCXQXKP-OAHLLOKOSA-N	0	3	343.387	1.995	50	5		EDBAHN
C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOCC2)C[C@@H](C)N1	ZINC000004599822	440922385	/nfs/dbraw/zinc/92/23/85/440922385.db2.gz	SXEODHPFMLTBQZ-CHWSQXEVSA-N	0	3	348.403	1.254	50	5		EDBAHN
O=[N+]([O-])c1ccccc1CN1CCC(N2CCN(CCO)CC2)CC1	ZINC000004703462	210252901	/nfs/dbraw/zinc/25/29/01/210252901.db2.gz	AVBSRQKFYQUYQC-UHFFFAOYSA-N	0	3	348.447	1.169	50	5		EDBAHN
O=[N+]([O-])c1cc(Cl)c(Cl)cc1NCCN(CCO)CCO	ZINC000004760359	210271782	/nfs/dbraw/zinc/27/17/82/210271782.db2.gz	CNQWRZRBVOAZQM-UHFFFAOYSA-N	0	3	338.191	1.600	50	5		EDBAHN
CN(Cc1ccc(F)c(F)c1)C[C@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000076082269	441595205	/nfs/dbraw/zinc/59/52/05/441595205.db2.gz	WSVMBXFBAAKFGM-LBPRGKRZSA-N	0	3	326.303	1.562	50	5		EDBAHN
CN(C(=S)NC(=O)c1ccc([N+](=O)[O-])cc1)C1CCN(C)CC1	ZINC000003323408	210007442	/nfs/dbraw/zinc/00/74/42/210007442.db2.gz	OVBPJSONTCDBRI-UHFFFAOYSA-N	0	3	336.417	1.636	50	5		EDBAHN
COc1cc(OCC(=O)N(C)C2CCN(C)CC2)ccc1[N+](=O)[O-]	ZINC000069520267	441962341	/nfs/dbraw/zinc/96/23/41/441962341.db2.gz	CAQUFUHUHZOOSP-UHFFFAOYSA-N	0	3	337.376	1.535	50	5		EDBAHN
COC(=O)c1cc(C(=O)NC2CCN(C3CC3)CC2)cc([N+](=O)[O-])c1	ZINC000009961569	211138034	/nfs/dbraw/zinc/13/80/34/211138034.db2.gz	VUYJOAOCAPBAFQ-UHFFFAOYSA-N	0	3	347.371	1.738	50	5		EDBAHN
C[C@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	ZINC000090798944	441644153	/nfs/dbraw/zinc/64/41/53/441644153.db2.gz	OLDBLZYUJNUZKA-SMDDNHRTSA-N	0	3	327.406	1.669	50	5		EDBAHN
O=C(Nc1ccccn1)C1CCN(CCn2ccc([N+](=O)[O-])n2)CC1	ZINC000096448403	442134127	/nfs/dbraw/zinc/13/41/27/442134127.db2.gz	BLOWJMFDUIBGJV-UHFFFAOYSA-N	0	3	344.375	1.537	50	5		EDBAHN
COc1ccc(NC(=O)CN[C@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1	ZINC000097105343	442169353	/nfs/dbraw/zinc/16/93/53/442169353.db2.gz	UASHBIQEFIUGPA-HOCLYGCPSA-N	0	3	337.376	1.683	50	5		EDBAHN
C[C@@H](NC[C@H]1CCCN1S(C)(=O)=O)c1cccc([N+](=O)[O-])c1	ZINC000090798945	441643908	/nfs/dbraw/zinc/64/39/08/441643908.db2.gz	OLDBLZYUJNUZKA-BXUZGUMPSA-N	0	3	327.406	1.669	50	5		EDBAHN
CCN1CC[C@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	ZINC000069779796	442040441	/nfs/dbraw/zinc/04/04/41/442040441.db2.gz	NSYCWGAMNKAMNS-NSHDSACASA-N	0	3	337.376	1.778	50	5		EDBAHN
Nc1cccc([N+](=O)[O-])c1C(=O)N1CCN(c2ccncc2)CC1	ZINC000097050478	442161560	/nfs/dbraw/zinc/16/15/60/442161560.db2.gz	JAPRAQPKJWPYOO-UHFFFAOYSA-N	0	3	327.344	1.534	50	5		EDBAHN
C[C@H]1CN(CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1N1CCOCC1	ZINC000177262637	442321662	/nfs/dbraw/zinc/32/16/62/442321662.db2.gz	PSPHKHMIVKOPMK-YOEHRIQHSA-N	0	3	335.404	1.626	50	5		EDBAHN
CCN(CC)S(=O)(=O)c1ccc(N2CCNCC2)c([N+](=O)[O-])c1	ZINC000003887616	284753141	/nfs/dbraw/zinc/75/31/41/284753141.db2.gz	ODNKDPUHYONPMH-UHFFFAOYSA-N	0	3	342.421	1.035	50	5		EDBAHN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@@H](NCc2ccccc2)C1	ZINC000097045568	258068079	/nfs/dbraw/zinc/06/80/79/258068079.db2.gz	GVFWBWGTOHGJKI-CQSZACIVSA-N	0	3	343.387	1.723	50	5		EDBAHN
Nc1nonc1OCCNCCNc1ccc([N+](=O)[O-])cc1Cl	ZINC000059384047	441227859	/nfs/dbraw/zinc/22/78/59/441227859.db2.gz	XLOAIMYULUEPIO-UHFFFAOYSA-N	0	3	342.743	1.294	50	5		EDBAHN
O=C(NC[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])c(Cl)c1	ZINC000108364802	441448373	/nfs/dbraw/zinc/44/83/73/441448373.db2.gz	LBQPFPGXNANSOS-RYUDHWBXSA-N	0	3	339.779	1.841	50	5		EDBAHN
Cc1ccc(S(=O)(=O)N2CCCN3CCC[C@@H]3C2)c([N+](=O)[O-])c1	ZINC000069444404	441938734	/nfs/dbraw/zinc/93/87/34/441938734.db2.gz	IFVQMVAUOUJKHW-CYBMUJFWSA-N	0	3	339.417	1.762	50	5		EDBAHN
O=[N+]([O-])c1ccccc1OC[C@@H](O)CN1CCN2CCCC[C@@H]2C1	ZINC000096009814	441980232	/nfs/dbraw/zinc/98/02/32/441980232.db2.gz	VRUARNYJDULMHC-CABCVRRESA-N	0	3	335.404	1.505	50	5		EDBAHN
CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc([N+](=O)[O-])cc1F	ZINC000069844309	203056965	/nfs/dbraw/zinc/05/69/65/203056965.db2.gz	ZGNXAGSGKMJDHL-ZDUSSCGKSA-N	0	3	339.367	1.917	50	5		EDBAHN
C[C@@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000097115476	442171603	/nfs/dbraw/zinc/17/16/03/442171603.db2.gz	XMSKODKLTRZLCD-TZMCWYRMSA-N	0	3	339.417	1.593	50	5		EDBAHN
CC(C)C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)N1CC[C@@H](N(C)C)C1	ZINC000585141877	448711080	/nfs/dbraw/zinc/71/10/80/448711080.db2.gz	HHHOSTLNOQECIX-KGLIPLIRSA-N	0	3	349.435	1.979	50	5		EDBAHN
CN1CCC2(CC1)OCCN2C(=O)COc1ccccc1[N+](=O)[O-]	ZINC000013691369	441164513	/nfs/dbraw/zinc/16/45/13/441164513.db2.gz	DXWCKXUMCQZPEA-UHFFFAOYSA-N	0	3	335.360	1.254	50	5		EDBAHN
O=[N+]([O-])c1cccc(OCCN2CCN([C@@H]3CCC[C@H]3O)CC2)c1	ZINC000065621663	441472077	/nfs/dbraw/zinc/47/20/77/441472077.db2.gz	XVDFPAJPUHFMSY-IAGOWNOFSA-N	0	3	335.404	1.505	50	5		EDBAHN
Cc1nccn1C[C@@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000178750436	442474093	/nfs/dbraw/zinc/47/40/93/442474093.db2.gz	FVAVZQTZWHXICM-HNNXBMFYSA-N	0	3	343.387	1.863	50	5		EDBAHN
C[C@H]1C[C@H](C)CN(CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000032935529	202244116	/nfs/dbraw/zinc/24/41/16/202244116.db2.gz	MXQBMUXTACRWKD-STQMWFEESA-N	0	3	345.403	1.993	50	5		EDBAHN
O=[N+]([O-])c1ccc(OC[C@@H](O)CNCc2ccc3c(c2)OCO3)cc1	ZINC000000119220	440800264	/nfs/dbraw/zinc/80/02/64/440800264.db2.gz	UEROOYQDAGMXDY-AWEZNQCLSA-N	0	3	346.339	1.853	50	5		EDBAHN
CC(C)(CO)[C@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1	ZINC000239672678	443200596	/nfs/dbraw/zinc/20/05/96/443200596.db2.gz	BURGHTVEUSMEFD-HZPDHXFCSA-N	0	3	348.403	1.502	50	5		EDBAHN
CNS(=O)(=O)c1ccc(N(C)[C@H]2CCCN(C)C2)c([N+](=O)[O-])c1	ZINC000072296179	203196351	/nfs/dbraw/zinc/19/63/51/203196351.db2.gz	WLSNENXNXPZEBY-NSHDSACASA-N	0	3	342.421	1.033	50	5		EDBAHN
O=[N+]([O-])c1ccccc1N1CCC(N[C@H]2CCS(=O)(=O)C2)CC1	ZINC000096483629	285162764	/nfs/dbraw/zinc/16/27/64/285162764.db2.gz	KYMCVPFWLKTYCD-ZDUSSCGKSA-N	0	3	339.417	1.340	50	5		EDBAHN
CC[C@H]1CCCCN1CCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000069845285	203056938	/nfs/dbraw/zinc/05/69/38/203056938.db2.gz	MEMJLWAOJSDQHT-AWEZNQCLSA-N	0	3	337.424	1.789	50	5		EDBAHN
C[C@@H]1CCc2c(sc3nc(C[N+]45CCN(CC4)CC5)[n-]c(=O)c23)C1	ZINC000006653374	277804921	/nfs/dbraw/zinc/80/49/21/277804921.db2.gz	KMGUGXSXSMJDCF-GFCCVEGCSA-O	0	3	345.492	1.755	50	5		EDBAHN
CN1CCN(CCCNc2c3ccccc3oc(=O)c2[N+](=O)[O-])CC1	ZINC000003896376	440908360	/nfs/dbraw/zinc/90/83/60/440908360.db2.gz	JKTMNPGWRZOVJZ-UHFFFAOYSA-N	0	3	346.387	1.751	50	5		EDBAHN
CC(C)C[C@H](Nc1ncccc1[N+](=O)[O-])C(=O)N1CC[C@H](N(C)C)C1	ZINC000585141876	448710964	/nfs/dbraw/zinc/71/09/64/448710964.db2.gz	HHHOSTLNOQECIX-KBPBESRZSA-N	0	3	349.435	1.979	50	5		EDBAHN
COc1cc([N+](=O)[O-])ccc1N1CCC(N2CCN(C)CC2)CC1	ZINC000204000596	485501278	/nfs/dbraw/zinc/50/12/78/485501278.db2.gz	UQTCIVXKZRYJMQ-UHFFFAOYSA-N	0	3	334.420	1.820	50	5		EDBAHN
Cc1ccccc1OC[C@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000040160732	202185867	/nfs/dbraw/zinc/18/58/67/202185867.db2.gz	PRYUOTGIFWIAMH-SJORKVTESA-N	0	3	346.383	1.966	50	5		EDBAHN
CCN(CCNC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)C1CC1	ZINC000071185870	203087157	/nfs/dbraw/zinc/08/71/57/203087157.db2.gz	SLIBWNGUQYMKIJ-UHFFFAOYSA-N	0	3	343.387	1.995	50	5		EDBAHN
O=c1c([N+](=O)[O-])c(N2CCN(C3CCCC3)CC2)nc2ccccn21	ZINC000012906384	275042879	/nfs/dbraw/zinc/04/28/79/275042879.db2.gz	JDQNFDKXAJZOIF-UHFFFAOYSA-N	0	3	343.387	1.667	50	5		EDBAHN
CCN1CCC[C@H](Nc2ccc(S(=O)(=O)NC)cc2[N+](=O)[O-])C1	ZINC000078680187	441961991	/nfs/dbraw/zinc/96/19/91/441961991.db2.gz	SGHZERHHVPAUQY-NSHDSACASA-N	0	3	342.421	1.399	50	5		EDBAHN
Cc1ccccc1OC[C@@H](O)CNC[C@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000040160733	202185632	/nfs/dbraw/zinc/18/56/32/202185632.db2.gz	PRYUOTGIFWIAMH-IRXDYDNUSA-N	0	3	346.383	1.966	50	5		EDBAHN
CCN1CCN(CCCCNC(=O)c2csc([N+](=O)[O-])c2)CC1	ZINC000069897972	203062678	/nfs/dbraw/zinc/06/26/78/203062678.db2.gz	WUVLAOKSLPFQFA-UHFFFAOYSA-N	0	3	340.449	1.804	50	5		EDBAHN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@@H](C)C2)c1	ZINC000262746067	139300736	/nfs/dbraw/zinc/30/07/36/139300736.db2.gz	DYRIYMJVKUKTIL-VHSXEESVSA-N	0	3	347.824	1.975	50	5		EDBAHN
C[C@H](N[C@H]1CCCC[C@@H]1C(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000095941392	441954115	/nfs/dbraw/zinc/95/41/15/441954115.db2.gz	AJZHESPFPSKFCE-BPNCWPANSA-N	0	3	334.376	1.556	50	5		EDBAHN
CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2S(C)(=O)=O)CCN1	ZINC000585139249	448708991	/nfs/dbraw/zinc/70/89/91/448708991.db2.gz	BZFGOGKUUCQWTN-LLVKDONJSA-N	0	3	327.406	1.577	50	5		EDBAHN
COCCN1CCC(NC(=O)/C=C\c2cccc([N+](=O)[O-])c2)CC1	ZINC000097259123	219006239	/nfs/dbraw/zinc/00/62/39/219006239.db2.gz	VDTAQYUHGXTKAE-WAYWQWQTSA-N	0	3	333.388	1.835	50	5		EDBAHN
Cc1ccc(C)c(S(=O)(=O)[N-][C@@H]2CC[NH2+]C[C@H]2C)c1[N+](=O)[O-]	ZINC000262745887	443210404	/nfs/dbraw/zinc/21/04/04/443210404.db2.gz	DQUOASRIPFJTKC-VXGBXAGGSA-N	0	3	327.406	1.488	50	5		EDBAHN
Cc1ccc(S(=O)(=O)NC[C@H](N)c2ccccc2)c([N+](=O)[O-])c1	ZINC000095432048	218374903	/nfs/dbraw/zinc/37/49/03/218374903.db2.gz	WVWFUMMDFPLKBJ-ZDUSSCGKSA-N	0	3	335.385	1.882	50	5		EDBAHN
CN(C)CCN1CCCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1	ZINC000069571289	441977965	/nfs/dbraw/zinc/97/79/65/441977965.db2.gz	NVAGXFCMMAKMKA-CMDGGOBGSA-N	0	3	346.431	1.704	50	5		EDBAHN
NC(=O)C1(CNCc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1	ZINC000097103850	442169869	/nfs/dbraw/zinc/16/98/69/442169869.db2.gz	CYVZBKLHOQDOPM-UHFFFAOYSA-N	0	3	327.768	1.620	50	5		EDBAHN
CN(c1ncccc1[N+](=O)[O-])C1CCN(CCn2cccn2)CC1	ZINC000105791861	441270896	/nfs/dbraw/zinc/27/08/96/441270896.db2.gz	ABVZWJOIMWVRQC-UHFFFAOYSA-N	0	3	330.392	1.787	50	5		EDBAHN
O=[N+]([O-])c1cccc(CN2CCC(N3CCN(CCO)CC3)CC2)c1	ZINC000096402928	442113010	/nfs/dbraw/zinc/11/30/10/442113010.db2.gz	CIIWCIPRCSCQBE-UHFFFAOYSA-N	0	3	348.447	1.169	50	5		EDBAHN
CCN1CCC[C@H]1CNC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1	ZINC000041761483	441671937	/nfs/dbraw/zinc/67/19/37/441671937.db2.gz	GOQLAQPTCXQXKP-HNNXBMFYSA-N	0	3	343.387	1.995	50	5		EDBAHN
C[C@@H]1CN(CC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@@H](C)O1	ZINC000069420892	441933248	/nfs/dbraw/zinc/93/32/48/441933248.db2.gz	MRAKRAWBZRVBBM-CHWSQXEVSA-N	0	3	337.424	1.654	50	5		EDBAHN
CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])o1	ZINC000010312713	211162993	/nfs/dbraw/zinc/16/29/93/211162993.db2.gz	AEYVWBKACUAQBI-UHFFFAOYSA-N	0	3	346.343	1.732	50	5		EDBAHN
NS(=O)(=O)c1ccc(CCNCc2cccc([N+](=O)[O-])c2)cc1	ZINC000016399859	441222414	/nfs/dbraw/zinc/22/24/14/441222414.db2.gz	CXFXMEIBXRRVQW-UHFFFAOYSA-N	0	3	335.385	1.575	50	5		EDBAHN
CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000109839983	441510499	/nfs/dbraw/zinc/51/04/99/441510499.db2.gz	FKVYPIIORLOZOD-LLVKDONJSA-N	0	3	347.824	1.963	50	5		EDBAHN
O=C(Cn1cc([N+](=O)[O-])cn1)NCCCN1CCc2ccccc2C1	ZINC000032401403	441555873	/nfs/dbraw/zinc/55/58/73/441555873.db2.gz	CTFOPHNCPVSYEN-UHFFFAOYSA-N	0	3	343.387	1.356	50	5		EDBAHN
COC(=O)c1cc([N+](=O)[O-])cn(CCN(C)Cc2ccccc2)c1=O	ZINC000408521674	447672991	/nfs/dbraw/zinc/67/29/91/447672991.db2.gz	QYIBTNRUQRLGIA-UHFFFAOYSA-N	0	3	345.355	1.675	50	5		EDBAHN
COc1cc([C@H]2NC(=O)CCC2[N+](=O)[O-])cc(Br)c1O	ZINC000000085983	440797249	/nfs/dbraw/zinc/79/72/49/440797249.db2.gz	YXUKMPOZDZNNOS-GZMMTYOYSA-N	0	3	345.149	1.760	50	5		EDBAHN
C[C@@H]1CN(CC2CCN(c3c([N+](=O)[O-])ncn3C)CC2)C[C@H](C)O1	ZINC000069420890	441932667	/nfs/dbraw/zinc/93/26/67/441932667.db2.gz	MRAKRAWBZRVBBM-BETUJISGSA-N	0	3	337.424	1.654	50	5		EDBAHN
CN1CCC[C@H](CNS(=O)(=O)Cc2ccccc2[N+](=O)[O-])C1	ZINC000095939961	441954975	/nfs/dbraw/zinc/95/49/75/441954975.db2.gz	KKVJXSCIJVLKDS-GFCCVEGCSA-N	0	3	327.406	1.356	50	5		EDBAHN
C[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000097115477	442171591	/nfs/dbraw/zinc/17/15/91/442171591.db2.gz	XMSKODKLTRZLCD-GXTWGEPZSA-N	0	3	339.417	1.593	50	5		EDBAHN
CN1CCN(CC2CN(c3ccc([N+](=O)[O-])c4cccnc43)C2)CC1	ZINC000585092323	448674654	/nfs/dbraw/zinc/67/46/54/448674654.db2.gz	PCFDBXSZIPQMBJ-UHFFFAOYSA-N	0	3	341.415	1.827	50	5		EDBAHN
Cc1ccccc1OC[C@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000040160734	213277143	/nfs/dbraw/zinc/27/71/43/213277143.db2.gz	PRYUOTGIFWIAMH-IAGOWNOFSA-N	0	3	346.383	1.966	50	5		EDBAHN
O=[N+]([O-])c1ccc(CCNCc2cnc(N3CCOCC3)nc2)cc1	ZINC000078552909	217074285	/nfs/dbraw/zinc/07/42/85/217074285.db2.gz	UQVIWUIKXMZYMQ-UHFFFAOYSA-N	0	3	343.387	1.554	50	5		EDBAHN
Cc1cc(N2C[C@@H]3OCCN(C)[C@H]3C2)c2cc([N+](=O)[O-])ccc2n1	ZINC000253369763	443050852	/nfs/dbraw/zinc/05/08/52/443050852.db2.gz	HYENLCWJSNXJAY-IRXDYDNUSA-N	0	3	328.372	1.971	50	5		EDBAHN
COCCN1CCC(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1	ZINC000058264008	441166472	/nfs/dbraw/zinc/16/64/72/441166472.db2.gz	VDTAQYUHGXTKAE-AATRIKPKSA-N	0	3	333.388	1.835	50	5		EDBAHN
CN(C)CCN(CCN(C)C)C(=O)/C=C/c1ccccc1[N+](=O)[O-]	ZINC000069743522	442029689	/nfs/dbraw/zinc/02/96/89/442029689.db2.gz	MZWVJZLCLAFWJK-MDZDMXLPSA-N	0	3	334.420	1.560	50	5		EDBAHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@@H](c3ccc(F)cc3)C2)c1	ZINC000089783365	441578906	/nfs/dbraw/zinc/57/89/06/441578906.db2.gz	QQJLDKHPSKQTTN-CJNGLKHVSA-N	0	3	334.351	1.781	50	5		EDBAHN
COCCN1CC[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)C1	ZINC000069456147	441941462	/nfs/dbraw/zinc/94/14/62/441941462.db2.gz	KFWBNEYYNYZCJL-NSHDSACASA-N	0	3	341.795	1.946	50	5		EDBAHN
CCN1CC[C@@H](N(C)C(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])C1	ZINC000069779798	442041039	/nfs/dbraw/zinc/04/10/39/442041039.db2.gz	NSYCWGAMNKAMNS-LLVKDONJSA-N	0	3	337.376	1.778	50	5		EDBAHN
Cn1cc([N+](=O)[O-])c(C(=O)N2C[C@H]3CCCN3Cc3ccccc32)n1	ZINC000240412621	443202095	/nfs/dbraw/zinc/20/20/95/443202095.db2.gz	FNKJDLUFWXWIPK-CYBMUJFWSA-N	0	3	341.371	1.953	50	5		EDBAHN
Cc1cc([N+](=O)[O-])c(Cl)c(S(=O)(=O)[N-][C@@H]2CC[NH2+][C@H](C)C2)c1	ZINC000262746063	139300772	/nfs/dbraw/zinc/30/07/72/139300772.db2.gz	DYRIYMJVKUKTIL-NXEZZACHSA-N	0	3	347.824	1.975	50	5		EDBAHN
COc1ccc2c(c1)CCCN(C[C@@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000075713856	441550166	/nfs/dbraw/zinc/55/01/66/441550166.db2.gz	BPBWVUVLYLQSAF-MRXNPFEDSA-N	0	3	346.387	1.609	50	5		EDBAHN
COc1ccc(NC(=O)CN[C@@H]2CCC[C@@]2(C)CO)c([N+](=O)[O-])c1	ZINC000097105345	442169677	/nfs/dbraw/zinc/16/96/77/442169677.db2.gz	UASHBIQEFIUGPA-ZBFHGGJFSA-N	0	3	337.376	1.683	50	5		EDBAHN
CN(C)CCN1CCCN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1	ZINC000065552835	276789778	/nfs/dbraw/zinc/78/97/78/276789778.db2.gz	NNKBSANKOQZHET-UHFFFAOYSA-N	0	3	337.380	1.577	50	5		EDBAHN
[NH3+]C[C@@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000237817694	303393766	/nfs/dbraw/zinc/39/37/66/303393766.db2.gz	GWZBGKIRFDDKHZ-GFCCVEGCSA-N	0	3	327.406	1.781	50	5		EDBAHN
COc1ccc2c(c1)CCCN(C[C@H](O)Cn1cc([N+](=O)[O-])cn1)C2	ZINC000075713855	441550808	/nfs/dbraw/zinc/55/08/08/441550808.db2.gz	BPBWVUVLYLQSAF-INIZCTEOSA-N	0	3	346.387	1.609	50	5		EDBAHN
COC(=O)[C@H]1CCN(Cc2cn(C)nc2-c2ccc([N+](=O)[O-])cc2)C1	ZINC000095982691	441969603	/nfs/dbraw/zinc/96/96/03/441969603.db2.gz	SXXOUQRWCIXWNX-ZDUSSCGKSA-N	0	3	344.371	1.990	50	5		EDBAHN
C[C@H](CNc1ccc(C(=O)c2nccn2C)cc1[N+](=O)[O-])N(C)C	ZINC000072280813	216108386	/nfs/dbraw/zinc/10/83/86/216108386.db2.gz	ZAJFIHCECCWFJB-LLVKDONJSA-N	0	3	331.376	1.921	50	5		EDBAHN
C[C@@H]1C[C@@H](C)CN(CCNc2nc3ccccn3c(=O)c2[N+](=O)[O-])C1	ZINC000032935525	441580108	/nfs/dbraw/zinc/58/01/08/441580108.db2.gz	MXQBMUXTACRWKD-CHWSQXEVSA-N	0	3	345.403	1.993	50	5		EDBAHN
CN(C)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000069601748	441987291	/nfs/dbraw/zinc/98/72/91/441987291.db2.gz	ZKSXLNKRJKJDDN-LLVKDONJSA-N	0	3	347.824	1.963	50	5		EDBAHN
O=C(NC1CCCCC1)[C@H]1CCCN(CCn2cc([N+](=O)[O-])cn2)C1	ZINC000096445683	442133908	/nfs/dbraw/zinc/13/39/08/442133908.db2.gz	RBCHFZGNKQJSFJ-AWEZNQCLSA-N	0	3	349.435	1.952	50	5		EDBAHN
CCCN(CCC(=O)Nc1cccc([N+](=O)[O-])c1C)CC(=O)NC	ZINC000071911887	441194684	/nfs/dbraw/zinc/19/46/84/441194684.db2.gz	CTPSNHBIEQLDKN-UHFFFAOYSA-N	0	3	336.392	1.690	50	5		EDBAHN
[NH3+]C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000170684848	442248524	/nfs/dbraw/zinc/24/85/24/442248524.db2.gz	MXZFDMDWNQPYMA-ZANVPECISA-N	0	3	331.369	1.530	50	5		EDBAHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC[C@@H](c3ccc(F)cc3)C2)c1	ZINC000229941208	242218165	/nfs/dbraw/zinc/21/81/65/242218165.db2.gz	QQJLDKHPSKQTTN-CZUORRHYSA-N	0	3	334.351	1.781	50	5		EDBAHN
COC(=O)c1cc([N+](=O)[O-])cn(C[C@@H]2CCCCN2C(C)C)c1=O	ZINC000408525217	250303395	/nfs/dbraw/zinc/30/33/95/250303395.db2.gz	PPPKSTOUZVDFFO-LBPRGKRZSA-N	0	3	337.376	1.806	50	5		EDBAHN
O=C(/C=C/c1ccccc1[N+](=O)[O-])NC[C@@H]1CN2CCC[C@H]2CO1	ZINC000106517159	441347855	/nfs/dbraw/zinc/34/78/55/441347855.db2.gz	FLTXGHWDSNLAHH-MHKRFPNSSA-N	0	3	331.372	1.587	50	5		EDBAHN
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NC[C@H](C(C)C)N(C)C	ZINC000040105626	213264933	/nfs/dbraw/zinc/26/49/33/213264933.db2.gz	NSBOCPKGKDPDRA-CYBMUJFWSA-N	0	3	329.422	1.768	50	5		EDBAHN
CS[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@@H]1N(C)C	ZINC000270674063	140145719	/nfs/dbraw/zinc/14/57/19/140145719.db2.gz	SDDHUOZBBZBYDN-UONOGXRCSA-N	0	3	338.433	1.171	50	5		EDBAHN
O=[N+]([O-])c1cccc(OCCN2CCN([C@H]3CCC[C@@H]3O)CC2)c1	ZINC000065621661	441472107	/nfs/dbraw/zinc/47/21/07/441472107.db2.gz	XVDFPAJPUHFMSY-IRXDYDNUSA-N	0	3	335.404	1.505	50	5		EDBAHN
COc1cc(N2CCC(N3CCN(C)CC3)CC2)ccc1[N+](=O)[O-]	ZINC000074938206	441481553	/nfs/dbraw/zinc/48/15/53/441481553.db2.gz	HNYSXOZEEKWPNM-UHFFFAOYSA-N	0	3	334.420	1.820	50	5		EDBAHN
O=[N+]([O-])c1cnn(C[C@H](O)CN2CC=C(c3ccccc3)CC2)c1	ZINC000096435689	442129099	/nfs/dbraw/zinc/12/90/99/442129099.db2.gz	CKOOZCLBEMIUAW-QGZVFWFLSA-N	0	3	328.372	1.942	50	5		EDBAHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC=C(c3ccccc3)CC2)c1	ZINC000096435688	442129317	/nfs/dbraw/zinc/12/93/17/442129317.db2.gz	CKOOZCLBEMIUAW-KRWDZBQOSA-N	0	3	328.372	1.942	50	5		EDBAHN
C[C@H](N[C@@H]1CCCC[C@H]1C(N)=O)C(=O)Nc1cccc([N+](=O)[O-])c1	ZINC000252485811	443029447	/nfs/dbraw/zinc/02/94/47/443029447.db2.gz	AJZHESPFPSKFCE-ZLKJLUDKSA-N	0	3	334.376	1.556	50	5		EDBAHN
CC(C)(CO)[C@@H](NC[C@@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1	ZINC000239672676	443200433	/nfs/dbraw/zinc/20/04/33/443200433.db2.gz	BURGHTVEUSMEFD-CVEARBPZSA-N	0	3	348.403	1.502	50	5		EDBAHN
Cc1cc([N+](=O)[O-])ccc1C(=O)NCCN1CCN(C)C(C)(C)C1	ZINC000281868621	444027597	/nfs/dbraw/zinc/02/75/97/444027597.db2.gz	WCGMBYYISCGDOU-UHFFFAOYSA-N	0	3	334.420	1.659	50	5		EDBAHN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C[C@H]2CCN(C)C2)c1C	ZINC000089626598	441565375	/nfs/dbraw/zinc/56/53/75/441565375.db2.gz	ZPVKJBQJCJWPRV-ZDUSSCGKSA-N	0	3	341.433	1.784	50	5		EDBAHN
Cc1nc(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n[nH]1	ZINC000095432621	218374800	/nfs/dbraw/zinc/37/48/00/218374800.db2.gz	WHVDEEJYVJJBCC-HNNXBMFYSA-N	0	3	331.376	1.934	50	5		EDBAHN
Cc1n[nH]c(C2CCN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC2)n1	ZINC000095432621	218374802	/nfs/dbraw/zinc/37/48/02/218374802.db2.gz	WHVDEEJYVJJBCC-HNNXBMFYSA-N	0	3	331.376	1.934	50	5		EDBAHN
O=[N+]([O-])c1ccc(OCCN2CCCN(c3cccnn3)CC2)cc1	ZINC000105800376	441273750	/nfs/dbraw/zinc/27/37/50/441273750.db2.gz	ADWWHVUBWLMPQL-UHFFFAOYSA-N	0	3	343.387	1.976	50	5		EDBAHN
Cc1nccn1C[C@H]1CCCN1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000178750448	442474709	/nfs/dbraw/zinc/47/47/09/442474709.db2.gz	FVAVZQTZWHXICM-OAHLLOKOSA-N	0	3	343.387	1.863	50	5		EDBAHN
O=C1CCC([N+](=O)[O-])[C@@H](c2cc3c(cc2Br)OCO3)N1	ZINC000000112069	296325985	/nfs/dbraw/zinc/32/59/85/296325985.db2.gz	PRJGMUUNRHWKBF-PRHODGIISA-N	0	3	343.133	1.774	50	5		EDBAHN
CCN1CCN(CCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)CC1	ZINC000000119870	440800712	/nfs/dbraw/zinc/80/07/12/440800712.db2.gz	LTOKIWVEJXTXCR-UHFFFAOYSA-N	0	3	336.392	1.570	50	5		EDBAHN
CN(CCCN(C)C(=O)Cn1cc([N+](=O)[O-])cn1)Cc1ccncc1	ZINC000408516534	447670135	/nfs/dbraw/zinc/67/01/35/447670135.db2.gz	CZTYHDWDMZTAGF-UHFFFAOYSA-N	0	3	346.391	1.167	50	5		EDBAHN
O=[N+]([O-])c1ccccc1S(=O)(=O)N[C@@H]1CCN(C2CCCC2)C1	ZINC000069849360	285165090	/nfs/dbraw/zinc/16/50/90/285165090.db2.gz	XSLBCVFQSSSQGP-GFCCVEGCSA-N	0	3	339.417	1.890	50	5		EDBAHN
Cc1cc([N+](=O)[O-])ccc1C(=O)N(C)CCCN1CCN(C)CC1	ZINC000071896519	441187807	/nfs/dbraw/zinc/18/78/07/441187807.db2.gz	URQLDTMIOIIXAN-UHFFFAOYSA-N	0	3	334.420	1.613	50	5		EDBAHN
CN(C)CCN1CCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3[nH]2)CC1	ZINC000058227176	441162617	/nfs/dbraw/zinc/16/26/17/441162617.db2.gz	VYTXXNLVQAOUKH-UHFFFAOYSA-N	0	3	345.403	1.396	50	5		EDBAHN
Cc1cccc(Nc2nc(NCCN(C)C)nc(N)c2[N+](=O)[O-])c1	ZINC000016757492	441231976	/nfs/dbraw/zinc/23/19/76/441231976.db2.gz	LUHRXEHVMYUATG-UHFFFAOYSA-N	0	3	331.380	1.993	50	5		EDBAHN
O=C(CN1CCN2CCC[C@@H]2C1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000017071053	441236036	/nfs/dbraw/zinc/23/60/36/441236036.db2.gz	HRIZPXKGDJRAJT-GFCCVEGCSA-N	0	3	338.795	1.967	50	5		EDBAHN
O=[N+]([O-])c1cnn(C[C@@H](O)CN2CC[C@H](c3ccc(F)cc3)C2)c1	ZINC000089783368	441578823	/nfs/dbraw/zinc/57/88/23/441578823.db2.gz	QQJLDKHPSKQTTN-BBRMVZONSA-N	0	3	334.351	1.781	50	5		EDBAHN
Cc1ccccc1OC[C@@H](O)CNC[C@@H](O)c1ccc([N+](=O)[O-])cc1	ZINC000040160735	202185422	/nfs/dbraw/zinc/18/54/22/202185422.db2.gz	PRYUOTGIFWIAMH-DLBZAZTESA-N	0	3	346.383	1.966	50	5		EDBAHN
O=[N+]([O-])c1cccc(OCCN2CCN([C@H]3CCC[C@H]3O)CC2)c1	ZINC000065621665	441471913	/nfs/dbraw/zinc/47/19/13/441471913.db2.gz	XVDFPAJPUHFMSY-DLBZAZTESA-N	0	3	335.404	1.505	50	5		EDBAHN
CC[C@H](O)CN1CCC(NC(=O)Nc2cccc([N+](=O)[O-])c2)CC1	ZINC000095443120	441928827	/nfs/dbraw/zinc/92/88/27/441928827.db2.gz	OHYGQDLNXJAAQP-HNNXBMFYSA-N	0	3	336.392	1.952	50	5		EDBAHN
COc1ccc(NC(=O)CN[C@@H]2CCC[C@]2(C)CO)c([N+](=O)[O-])c1	ZINC000097105344	442169823	/nfs/dbraw/zinc/16/98/23/442169823.db2.gz	UASHBIQEFIUGPA-GDBMZVCRSA-N	0	3	337.376	1.683	50	5		EDBAHN
Cc1cc(N2C[C@H]3OCCN(C)[C@@H]3C2)c2cc([N+](=O)[O-])ccc2n1	ZINC000097083939	442164423	/nfs/dbraw/zinc/16/44/23/442164423.db2.gz	HYENLCWJSNXJAY-IAGOWNOFSA-N	0	3	328.372	1.971	50	5		EDBAHN
CC(C)(CO)[C@@H](NC[C@H](O)Cn1cc([N+](=O)[O-])cn1)c1ccccc1	ZINC000239672677	535171392	/nfs/dbraw/zinc/17/13/92/535171392.db2.gz	BURGHTVEUSMEFD-HOTGVXAUSA-N	0	3	348.403	1.502	50	5		EDBAHN
O=C(CN1CCN2CCC[C@H]2C1)Nc1cc([N+](=O)[O-])ccc1Cl	ZINC000239309548	443199181	/nfs/dbraw/zinc/19/91/81/443199181.db2.gz	HRIZPXKGDJRAJT-LBPRGKRZSA-N	0	3	338.795	1.967	50	5		EDBAHN
CN(C)[C@@H]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1	ZINC000195576808	241023345	/nfs/dbraw/zinc/02/33/45/241023345.db2.gz	UDLQZUOBRLTJKE-GHMZBOCLSA-N	0	3	327.406	1.893	50	5		EDBAHN
[NH3+]C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000170684842	442248455	/nfs/dbraw/zinc/24/84/55/442248455.db2.gz	MXZFDMDWNQPYMA-RNCFNFMXSA-N	0	3	331.369	1.530	50	5		EDBAHN
CS[C@@H]1CN(Cc2ccc(C(N)=O)cc2[N+](=O)[O-])C[C@H]1N(C)C	ZINC000270674068	140145750	/nfs/dbraw/zinc/14/57/50/140145750.db2.gz	SDDHUOZBBZBYDN-ZIAGYGMSSA-N	0	3	338.433	1.171	50	5		EDBAHN
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H]2CCC[C@@H]2C[NH3+])c1C	ZINC000195544574	292291875	/nfs/dbraw/zinc/29/18/75/292291875.db2.gz	KHVNLTHVDRRRBT-VXGBXAGGSA-N	0	3	327.406	1.617	50	5		EDBAHN
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN2CCCC[C@H]2C1	ZINC000242047988	443209995	/nfs/dbraw/zinc/20/99/95/443209995.db2.gz	VRUARNYJDULMHC-LSDHHAIUSA-N	0	3	335.404	1.505	50	5		EDBAHN
O=C1CCC([N+](=O)[O-])[C@H](c2cc3c(cc2Br)OCO3)N1	ZINC000000112066	440799258	/nfs/dbraw/zinc/79/92/58/440799258.db2.gz	PRJGMUUNRHWKBF-PELKAZGASA-N	0	3	343.133	1.774	50	5		EDBAHN
CCN1CCC(N(C)S(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)CC1	ZINC000045805632	441040538	/nfs/dbraw/zinc/04/05/38/441040538.db2.gz	ILICSEZECRQEBC-UHFFFAOYSA-N	0	3	341.433	1.841	50	5		EDBAHN
O=[N+]([O-])c1ccccc1OC[C@H](O)CN1CCN2CCCC[C@@H]2C1	ZINC000096009813	441980343	/nfs/dbraw/zinc/98/03/43/441980343.db2.gz	VRUARNYJDULMHC-HUUCEWRRSA-N	0	3	335.404	1.505	50	5		EDBAHN
O=[N+]([O-])c1cnc(NC2CCN([C@H]3CCOC3)CC2)nc1NC1CC1	ZINC000084334927	486257973	/nfs/dbraw/zinc/25/79/73/486257973.db2.gz	LGILSQLNFJDLPG-ZDUSSCGKSA-N	0	3	348.407	1.624	50	5		EDBAHN
CN(C)CCN(Cc1cccnc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1	ZINC000079050200	442012792	/nfs/dbraw/zinc/01/27/92/442012792.db2.gz	JJDNANILSHWZSK-UHFFFAOYSA-N	0	3	343.387	1.776	50	5		EDBAHN
CCc1n[nH]c(C(=O)N[C@H](C)CN2C[C@@H](C)C[C@H](C)C2)c1[N+](=O)[O-]	ZINC000171804321	442382488	/nfs/dbraw/zinc/38/24/88/442382488.db2.gz	MDCNOGQQMWETDP-SDDRHHMPSA-N	0	3	337.424	1.977	50	5		EDBAHN
Nc1nc(N[C@@H]2[C@H]3CN(Cc4ccccc4)C[C@H]32)ncc1[N+](=O)[O-]	ZINC000370737784	446409985	/nfs/dbraw/zinc/40/99/85/446409985.db2.gz	MDCMUXOZYYMXGX-IMRBUKKESA-N	0	3	326.360	1.509	50	5		EDBAHN
C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](N(C)C)C1	ZINC000065494954	441445124	/nfs/dbraw/zinc/44/51/24/441445124.db2.gz	LYQWGVRMKCYLEQ-SWLSCSKDSA-N	0	3	348.403	1.266	50	5		EDBAHN
Cc1cc(S(=O)(=O)NC[C@@H](N)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000095972622	441964329	/nfs/dbraw/zinc/96/43/29/441964329.db2.gz	HZEHFXRNGRUZKO-CQSZACIVSA-N	0	3	335.385	1.882	50	5		EDBAHN
CCN(CC)CC(=O)N1CCN(c2sccc2[N+](=O)[O-])CC1	ZINC000096492803	442143994	/nfs/dbraw/zinc/14/39/94/442143994.db2.gz	YDESDLNYBWPWDF-UHFFFAOYSA-N	0	3	326.422	1.647	50	5		EDBAHN
CN(Cc1ccc(F)c(F)c1)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1	ZINC000076082272	203335673	/nfs/dbraw/zinc/33/56/73/203335673.db2.gz	WSVMBXFBAAKFGM-GFCCVEGCSA-N	0	3	326.303	1.562	50	5		EDBAHN
Cc1cc(N2C[C@@H]3[C@H](C2)OCCN3C)c2cc([N+](=O)[O-])ccc2n1	ZINC000222267965	443075499	/nfs/dbraw/zinc/07/54/99/443075499.db2.gz	HYENLCWJSNXJAY-SJORKVTESA-N	0	3	328.372	1.971	50	5		EDBAHN
C[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCOCC2)C[C@H](C)N1	ZINC000004599821	440922938	/nfs/dbraw/zinc/92/29/38/440922938.db2.gz	SXEODHPFMLTBQZ-STQMWFEESA-N	0	3	348.403	1.254	50	5		EDBAHN
COCCN1CC[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1	ZINC000069811708	442045701	/nfs/dbraw/zinc/04/57/01/442045701.db2.gz	ZMPLKVGUOJTSOC-NSHDSACASA-N	0	3	341.795	1.946	50	5		EDBAHN
Cc1cc(S(=O)(=O)NC[C@H](N)c2ccccc2)ccc1[N+](=O)[O-]	ZINC000095972621	441965219	/nfs/dbraw/zinc/96/52/19/441965219.db2.gz	HZEHFXRNGRUZKO-AWEZNQCLSA-N	0	3	335.385	1.882	50	5		EDBAHN
CN1CCN(CCC(C)(C)NC(=O)c2cc([N+](=O)[O-])ccc2N)CC1	ZINC000189843409	443019367	/nfs/dbraw/zinc/01/93/67/443019367.db2.gz	PODQJZLJISUQBO-UHFFFAOYSA-N	0	3	349.435	1.323	50	5		EDBAHN
O=[N+]([O-])c1ccc(CN2CCC(N3CCN(CCO)CC3)CC2)cc1	ZINC000000316678	440814115	/nfs/dbraw/zinc/81/41/15/440814115.db2.gz	MWVHMMRIEBETGI-UHFFFAOYSA-N	0	3	348.447	1.169	50	5		EDBAHN
CN(C)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2[N+](=O)[O-])C1	ZINC000069601752	441986723	/nfs/dbraw/zinc/98/67/23/441986723.db2.gz	ZKSXLNKRJKJDDN-NSHDSACASA-N	0	3	347.824	1.963	50	5		EDBAHN
[NH3+]C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(F)cc([N+](=O)[O-])c1	ZINC000170684845	442248425	/nfs/dbraw/zinc/24/84/25/442248425.db2.gz	MXZFDMDWNQPYMA-TVQRCGJNSA-N	0	3	331.369	1.530	50	5		EDBAHN
O=[N+]([O-])C([C@@H]1NCCc2ccccc21)S(=O)(=O)c1ccccc1	ZINC000004408828	440917024	/nfs/dbraw/zinc/91/70/24/440917024.db2.gz	DKQXXLNKHXUAAR-CVEARBPZSA-N	0	3	332.381	1.950	50	5		EDBAHN
CNS(=O)(=O)c1c(NC2CCN(C)CC2)cccc1[N+](=O)[O-]	ZINC000408524455	447676898	/nfs/dbraw/zinc/67/68/98/447676898.db2.gz	UQQOPFNRMXLMOT-UHFFFAOYSA-N	0	3	328.394	1.009	50	5		EDBAHN
CN(C)[C@H]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2S(C)(=O)=O)C1	ZINC000195576813	241022893	/nfs/dbraw/zinc/02/28/93/241022893.db2.gz	UDLQZUOBRLTJKE-QWRGUYRKSA-N	0	3	327.406	1.893	50	5		EDBAHN
Cn1ncc([N+](=O)[O-])c1C(=O)N1CCC[C@H](NCc2ccccc2)C1	ZINC000097045567	258068142	/nfs/dbraw/zinc/06/81/42/258068142.db2.gz	GVFWBWGTOHGJKI-AWEZNQCLSA-N	0	3	343.387	1.723	50	5		EDBAHN
CC1CCN(C(=O)[C@@H]2CCCN(CCn3cc([N+](=O)[O-])cn3)C2)CC1	ZINC000078972664	442001565	/nfs/dbraw/zinc/00/15/65/442001565.db2.gz	NMJCUIXXBIFLAJ-OAHLLOKOSA-N	0	3	349.435	1.762	50	5		EDBAHN
O=c1c([N+](=O)[O-])c(NCCNc2ccncc2)nc2ccccn21	ZINC000040555313	213350307	/nfs/dbraw/zinc/35/03/07/213350307.db2.gz	SMCPALASZKPVOI-UHFFFAOYSA-N	0	3	326.316	1.522	50	5		EDBAHN
CC[C@@H]1CCCCN1CCNC(=O)Cn1nc(C)c([N+](=O)[O-])c1C	ZINC000069845283	442054725	/nfs/dbraw/zinc/05/47/25/442054725.db2.gz	MEMJLWAOJSDQHT-CQSZACIVSA-N	0	3	337.424	1.789	50	5		EDBAHN
C[C@@H]1CN2CCC[C@H]2CN1S(=O)(=O)Cc1ccccc1[N+](=O)[O-]	ZINC000248433405	442891153	/nfs/dbraw/zinc/89/11/53/442891153.db2.gz	XMSKODKLTRZLCD-OCCSQVGLSA-N	0	3	339.417	1.593	50	5		EDBAHN
[NH3+]C[C@H]([N-]S(=O)(=O)c1ccccc1[N+](=O)[O-])C1CCCCC1	ZINC000237936153	443189665	/nfs/dbraw/zinc/18/96/65/443189665.db2.gz	GWZBGKIRFDDKHZ-LBPRGKRZSA-N	0	3	327.406	1.781	50	5		EDBAHN