smiles	zinc_id	prot_id	files.db2	substance.inchikey	net_charge	ph_mod_fk	substance.mwt	substance.logp	purchasable	reactive	features	tranche_name
O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1	ZINC000025076528	463108488	/nfs/dbraw/zinc/10/84/88/463108488.db2.gz	RYTJWZVFNQIWKR-LSDHHAIUSA-N	1	1	325.368	2.376	50	5	biogenic	EEBAMO
CC(C)[C@@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000025314479	463118282	/nfs/dbraw/zinc/11/82/82/463118282.db2.gz	VOODZAIUURDLBO-OAHLLOKOSA-N	1	1	336.392	2.073	50	5		EEBAMO
CCOC(=O)[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000021321309	202064611	/nfs/dbraw/zinc/06/46/11/202064611.db2.gz	CXXUYPNHKVCDTN-LBPRGKRZSA-N	1	1	332.360	2.177	50	5		EEBAMO
CCOC(=O)[C@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000021321309	202064614	/nfs/dbraw/zinc/06/46/14/202064614.db2.gz	CXXUYPNHKVCDTN-LBPRGKRZSA-N	1	1	332.360	2.177	50	5		EEBAMO
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC[NH+]1CCCCC1	ZINC000002512879	462595656	/nfs/dbraw/zinc/59/56/56/462595656.db2.gz	RJHDYDGBPVGJHA-UHFFFAOYSA-N	1	1	347.824	2.012	50	5		EEBAMO
COCCN(C)C(=O)[C@@H]1CCC[N@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1	ZINC000106764086	463534191	/nfs/dbraw/zinc/53/41/91/463534191.db2.gz	DLKKNTKHRDYJKH-GDBMZVCRSA-N	1	1	349.431	2.473	50	5		EEBAMO
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCc2sccc2C1	ZINC000032428005	202225438	/nfs/dbraw/zinc/22/54/38/202225438.db2.gz	SHRFZMQFWAEGDX-JTQLQIEISA-N	1	1	335.385	2.426	50	5		EEBAMO
C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+]1CCc2sccc2C1	ZINC000032428005	202225441	/nfs/dbraw/zinc/22/54/41/202225441.db2.gz	SHRFZMQFWAEGDX-JTQLQIEISA-N	1	1	335.385	2.426	50	5		EEBAMO
C[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000031663937	278278390	/nfs/dbraw/zinc/27/83/90/278278390.db2.gz	NVGSDNDUWPYNOS-YNEHKIRRSA-N	1	1	336.392	2.214	50	5		EEBAMO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@@H+]2CCc3sccc3C2)c1	ZINC000022549980	212306746	/nfs/dbraw/zinc/30/67/46/212306746.db2.gz	VGQMDGBEPGXDED-AWEZNQCLSA-N	1	1	334.397	2.454	50	5		EEBAMO
O=[N+]([O-])c1cccc(OC[C@@H](O)C[N@H+]2CCc3sccc3C2)c1	ZINC000022549980	212306750	/nfs/dbraw/zinc/30/67/50/212306750.db2.gz	VGQMDGBEPGXDED-AWEZNQCLSA-N	1	1	334.397	2.454	50	5		EEBAMO
Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000032851015	463398905	/nfs/dbraw/zinc/39/89/05/463398905.db2.gz	CJWBKTJNBGZPBC-OAHLLOKOSA-N	1	1	328.372	2.369	50	5		EEBAMO
Cn1cccc1[C@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000032851015	463398910	/nfs/dbraw/zinc/39/89/10/463398910.db2.gz	CJWBKTJNBGZPBC-OAHLLOKOSA-N	1	1	328.372	2.369	50	5		EEBAMO
C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])cn2)[C@H](c2ccccc2)C1	ZINC000034868615	463430399	/nfs/dbraw/zinc/43/03/99/463430399.db2.gz	RGLNXZGTJVHTFE-KRWDZBQOSA-N	1	1	341.415	2.390	50	5		EEBAMO
C[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000031663943	279339823	/nfs/dbraw/zinc/33/98/23/279339823.db2.gz	NVGSDNDUWPYNOS-UPJWGTAASA-N	1	1	336.392	2.214	50	5		EEBAMO
C[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000031663943	279339826	/nfs/dbraw/zinc/33/98/26/279339826.db2.gz	NVGSDNDUWPYNOS-UPJWGTAASA-N	1	1	336.392	2.214	50	5		EEBAMO
COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@@H]2C)c([N+](=O)[O-])cc1OC	ZINC000034829447	463429845	/nfs/dbraw/zinc/42/98/45/463429845.db2.gz	UQLQHGQDTZRGQL-JSGCOSHPSA-N	1	1	335.404	2.281	50	5		EEBAMO
CN(C[C@@H]1CCC[N@@H+](C)C1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-]	ZINC000585134981	468986027	/nfs/dbraw/zinc/98/60/27/468986027.db2.gz	RPINBZXFXRYDKA-CYBMUJFWSA-N	1	1	344.415	2.225	50	5		EEBAMO
C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000102961986	219243828	/nfs/dbraw/zinc/24/38/28/219243828.db2.gz	DBUZKMDXQAMFMD-CHWSQXEVSA-N	1	1	326.418	2.489	50	5		EEBAMO
C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1	ZINC000102961986	219243831	/nfs/dbraw/zinc/24/38/31/219243831.db2.gz	DBUZKMDXQAMFMD-CHWSQXEVSA-N	1	1	326.418	2.489	50	5		EEBAMO
CC(C)[N@@H+](C)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1	ZINC000000260971	462551740	/nfs/dbraw/zinc/55/17/40/462551740.db2.gz	DEHCKAJKKKVXQF-UHFFFAOYSA-N	1	1	341.433	2.088	50	5		EEBAMO
Cc1ccc([N+](=O)[O-])c(OCCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1	ZINC000020653592	212160756	/nfs/dbraw/zinc/16/07/56/212160756.db2.gz	VUMZMWOKZQZPFX-GJZGRUSLSA-N	1	1	338.404	2.408	50	5		EEBAMO
COc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-]	ZINC000010447058	211173036	/nfs/dbraw/zinc/17/30/36/211173036.db2.gz	BAAGQDZZYRSVNA-ZDUSSCGKSA-N	1	1	333.344	2.229	50	5		EEBAMO
C[C@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000012537070	462855223	/nfs/dbraw/zinc/85/52/23/462855223.db2.gz	VGZATGXMVPAKAL-HNNXBMFYSA-N	1	1	346.431	2.118	50	5		EEBAMO
C[NH+](C)C[C@@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000030499209	463300300	/nfs/dbraw/zinc/30/03/00/463300300.db2.gz	MNZZBNYUODULTM-MRXNPFEDSA-N	1	1	349.412	2.176	50	5		EEBAMO
C[NH+]1CCN(c2ccc(C(=O)NC3CCCC3)cc2[N+](=O)[O-])CC1	ZINC000008720842	277112787	/nfs/dbraw/zinc/11/27/87/277112787.db2.gz	VARKPRZUOGEESP-UHFFFAOYSA-N	1	1	332.404	2.019	50	5		EEBAMO
CCOC(=O)[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000021321303	212218986	/nfs/dbraw/zinc/21/89/86/212218986.db2.gz	CXXUYPNHKVCDTN-GFCCVEGCSA-N	1	1	332.360	2.177	50	5		EEBAMO
CCOC(=O)[C@@H]1CCC[N@@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1	ZINC000021321303	212218990	/nfs/dbraw/zinc/21/89/90/212218990.db2.gz	CXXUYPNHKVCDTN-GFCCVEGCSA-N	1	1	332.360	2.177	50	5		EEBAMO
Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)Cn2cc([N+](=O)[O-])cn2)s1	ZINC000107064352	463557510	/nfs/dbraw/zinc/55/75/10/463557510.db2.gz	RMDHBJIHDZTSGC-ZIAGYGMSSA-N	1	1	336.417	2.359	50	5		EEBAMO
CC(C)C[C@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1	ZINC000022611738	212311360	/nfs/dbraw/zinc/31/13/60/212311360.db2.gz	YFHUTNNYKVRRNV-MRXNPFEDSA-N	1	1	335.404	2.072	50	5		EEBAMO
C[C@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C	ZINC000109031198	463631732	/nfs/dbraw/zinc/63/17/32/463631732.db2.gz	CSEPMOKJEDDHOU-QWHCGFSZSA-N	1	1	341.433	2.136	50	5		EEBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CC3(Cl)Cl)CC2)cn1	ZINC000027231766	463185845	/nfs/dbraw/zinc/18/58/45/463185845.db2.gz	OCTWNYINQDKJGE-SNVBAGLBSA-N	1	1	331.203	2.306	50	5		EEBAMO
C[NH+](C)C[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1	ZINC000030499212	463300444	/nfs/dbraw/zinc/30/04/44/463300444.db2.gz	MNZZBNYUODULTM-INIZCTEOSA-N	1	1	349.412	2.176	50	5		EEBAMO
CCOC(=O)[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000023990733	202111085	/nfs/dbraw/zinc/11/10/85/202111085.db2.gz	IYZXMNLGTSPTHW-ZDUSSCGKSA-N	1	1	332.360	2.177	50	5		EEBAMO
CCOC(=O)[C@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000023990733	202111089	/nfs/dbraw/zinc/11/10/89/202111089.db2.gz	IYZXMNLGTSPTHW-ZDUSSCGKSA-N	1	1	332.360	2.177	50	5		EEBAMO
C[NH+]1CCN([C@H](CNc2ncccc2[N+](=O)[O-])c2cccs2)CC1	ZINC000007980106	462760510	/nfs/dbraw/zinc/76/05/10/462760510.db2.gz	DVBAQVWHJRTFCR-CQSZACIVSA-N	1	1	347.444	2.452	50	5		EEBAMO
Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000032851014	202237234	/nfs/dbraw/zinc/23/72/34/202237234.db2.gz	CJWBKTJNBGZPBC-HNNXBMFYSA-N	1	1	328.372	2.369	50	5		EEBAMO
Cn1cccc1[C@@H]1CCC[N@H+]1Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000032851014	202237238	/nfs/dbraw/zinc/23/72/38/202237238.db2.gz	CJWBKTJNBGZPBC-HNNXBMFYSA-N	1	1	328.372	2.369	50	5		EEBAMO
O=c1sc2ccccc2c(NCCC[NH+]2CCOCC2)c1[N+](=O)[O-]	ZINC000019873976	202023471	/nfs/dbraw/zinc/02/34/71/202023471.db2.gz	NSIQIJLQSLVHDB-UHFFFAOYSA-N	1	1	349.412	2.304	50	5		EEBAMO
C[NH+]1CCN(c2ccc(C(=O)Nc3nccs3)cc2[N+](=O)[O-])CC1	ZINC000008723559	462793489	/nfs/dbraw/zinc/79/34/89/462793489.db2.gz	PKJLPZGUXGBXHP-UHFFFAOYSA-N	1	1	347.400	2.055	50	5		EEBAMO
COc1ccc(NC(=O)C[N@H+](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1	ZINC000032927244	463403246	/nfs/dbraw/zinc/40/32/46/463403246.db2.gz	DKGJLPZLPXLBBI-UHFFFAOYSA-N	1	1	345.355	2.380	50	5		EEBAMO
COc1ccc(NC(=O)C[N@@H+](C)Cc2ccc(O)cc2)c([N+](=O)[O-])c1	ZINC000032927244	463403252	/nfs/dbraw/zinc/40/32/52/463403252.db2.gz	DKGJLPZLPXLBBI-UHFFFAOYSA-N	1	1	345.355	2.380	50	5		EEBAMO
O=C(Nc1ccncc1[N+](=O)[O-])N1CC[NH+](Cc2ccccc2)CC1	ZINC000124680640	463451537	/nfs/dbraw/zinc/45/15/37/463451537.db2.gz	BVBUBGWIPNIXDD-UHFFFAOYSA-N	1	1	341.371	2.340	50	5		EEBAMO
Cc1cc(C(=O)NC[C@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-]	ZINC000022611755	212311413	/nfs/dbraw/zinc/31/14/13/212311413.db2.gz	JVIJDHOIKMTMMW-INIZCTEOSA-N	1	1	349.431	2.380	50	5		EEBAMO
O=[N+]([O-])c1ccc(NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c2ccncc21	ZINC000108071808	463589549	/nfs/dbraw/zinc/58/95/49/463589549.db2.gz	JTSOXKWZKAHADI-STQMWFEESA-N	1	1	328.372	2.418	50	5		EEBAMO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])o2)N3)C1	ZINC000004150711	210132237	/nfs/dbraw/zinc/13/22/37/210132237.db2.gz	NALNTUIZXCRSPJ-LBPRGKRZSA-N	1	1	334.357	2.091	50	5		EEBAMO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])o2)N3)C1	ZINC000004150711	210132240	/nfs/dbraw/zinc/13/22/40/210132240.db2.gz	NALNTUIZXCRSPJ-LBPRGKRZSA-N	1	1	334.357	2.091	50	5		EEBAMO
C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1	ZINC000004834859	210292250	/nfs/dbraw/zinc/29/22/50/210292250.db2.gz	DBUZKMDXQAMFMD-STQMWFEESA-N	1	1	326.418	2.489	50	5		EEBAMO
C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1	ZINC000004834859	210292252	/nfs/dbraw/zinc/29/22/52/210292252.db2.gz	DBUZKMDXQAMFMD-STQMWFEESA-N	1	1	326.418	2.489	50	5		EEBAMO
CN(C[C@H]1CCC[N@@H+](C)C1)c1c2ccccc2n(C)c(=O)c1[N+](=O)[O-]	ZINC000585134982	468986315	/nfs/dbraw/zinc/98/63/15/468986315.db2.gz	RPINBZXFXRYDKA-ZDUSSCGKSA-N	1	1	344.415	2.225	50	5		EEBAMO
O=[N+]([O-])c1ccccc1OC[C@@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000001473277	462583388	/nfs/dbraw/zinc/58/33/88/462583388.db2.gz	VKJYLAGCSJCKIV-INIZCTEOSA-N	1	1	328.368	2.393	50	5		EEBAMO
C[C@H]1CCCCN1C(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000008723561	462793581	/nfs/dbraw/zinc/79/35/81/462793581.db2.gz	RSONAGDCZNKSBM-AWEZNQCLSA-N	1	1	346.431	2.361	50	5		EEBAMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc([N+](=O)[O-])cc1	ZINC000019902012	212081005	/nfs/dbraw/zinc/08/10/05/212081005.db2.gz	NJTWFNCVHUWCCQ-UHFFFAOYSA-N	1	1	347.415	2.360	50	5		EEBAMO
O=C(NCCC[NH+]1CCOCC1)Nc1ccc(Cl)c([N+](=O)[O-])c1	ZINC000017071619	462994487	/nfs/dbraw/zinc/99/44/87/462994487.db2.gz	DDKJDIHFOMIBJQ-UHFFFAOYSA-N	1	1	342.783	2.092	50	5		EEBAMO
O=c1cccc2n1C[C@@H]1C[C@H]2C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1	ZINC000019732557	212058762	/nfs/dbraw/zinc/05/87/62/212058762.db2.gz	GQXGWBNRGPDMNO-CABCVRRESA-N	1	1	325.368	2.376	50	5	biogenic	EEBAMO
C[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000031663939	274223235	/nfs/dbraw/zinc/22/32/35/274223235.db2.gz	NVGSDNDUWPYNOS-RWMBFGLXSA-N	1	1	336.392	2.214	50	5		EEBAMO
C[C@@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1	ZINC000031663939	274223238	/nfs/dbraw/zinc/22/32/38/274223238.db2.gz	NVGSDNDUWPYNOS-RWMBFGLXSA-N	1	1	336.392	2.214	50	5		EEBAMO
C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1	ZINC000102961987	219244354	/nfs/dbraw/zinc/24/43/54/219244354.db2.gz	DBUZKMDXQAMFMD-QWHCGFSZSA-N	1	1	326.418	2.489	50	5		EEBAMO
C[C@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@H](C)C1	ZINC000102961987	219244355	/nfs/dbraw/zinc/24/43/55/219244355.db2.gz	DBUZKMDXQAMFMD-QWHCGFSZSA-N	1	1	326.418	2.489	50	5		EEBAMO
O=[N+]([O-])c1ccc(NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c2ccncc21	ZINC000108071811	463589718	/nfs/dbraw/zinc/58/97/18/463589718.db2.gz	JTSOXKWZKAHADI-QWHCGFSZSA-N	1	1	328.372	2.418	50	5		EEBAMO
C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000102024009	219180992	/nfs/dbraw/zinc/18/09/92/219180992.db2.gz	VSXCELOFDHRKEN-AOOOYVTPSA-N	1	1	343.330	2.361	50	5		EEBAMO
C[C@@H]1C[N@H+](C)C[C@H](C)N1C(=O)c1cc([N+](=O)[O-])ccc1OC(F)F	ZINC000102024009	219180995	/nfs/dbraw/zinc/18/09/95/219180995.db2.gz	VSXCELOFDHRKEN-AOOOYVTPSA-N	1	1	343.330	2.361	50	5		EEBAMO
C[N@H+]1CCN(CCNc2ccc([N+](=O)[O-])cn2)[C@@H](c2ccccc2)C1	ZINC000031784675	258005115	/nfs/dbraw/zinc/00/51/15/258005115.db2.gz	RGLNXZGTJVHTFE-QGZVFWFLSA-N	1	1	341.415	2.390	50	5		EEBAMO
Cc1cc(C(=O)NC[C@@H](CC(C)C)[NH+]2CCOCC2)ccc1[N+](=O)[O-]	ZINC000022611756	212310742	/nfs/dbraw/zinc/31/07/42/212310742.db2.gz	JVIJDHOIKMTMMW-MRXNPFEDSA-N	1	1	349.431	2.380	50	5		EEBAMO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@@H+]2CCc3sccc3C2)c1	ZINC000022549978	212307085	/nfs/dbraw/zinc/30/70/85/212307085.db2.gz	VGQMDGBEPGXDED-CQSZACIVSA-N	1	1	334.397	2.454	50	5		EEBAMO
O=[N+]([O-])c1cccc(OC[C@H](O)C[N@H+]2CCc3sccc3C2)c1	ZINC000022549978	212307087	/nfs/dbraw/zinc/30/70/87/212307087.db2.gz	VGQMDGBEPGXDED-CQSZACIVSA-N	1	1	334.397	2.454	50	5		EEBAMO
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@H]1C	ZINC000032440952	274224751	/nfs/dbraw/zinc/22/47/51/274224751.db2.gz	CSEPMOKJEDDHOU-OLZOCXBDSA-N	1	1	341.433	2.136	50	5		EEBAMO
O=[N+]([O-])c1ccccc1OC[C@H](O)C[N@H+]1CCc2ccccc2C1	ZINC000006062444	462676476	/nfs/dbraw/zinc/67/64/76/462676476.db2.gz	VKJYLAGCSJCKIV-MRXNPFEDSA-N	1	1	328.368	2.393	50	5		EEBAMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc([N+](=O)[O-])c1	ZINC000019902260	202025907	/nfs/dbraw/zinc/02/59/07/202025907.db2.gz	UQHNPFHKMNCDLY-UHFFFAOYSA-N	1	1	347.415	2.360	50	5		EEBAMO
CCOC(=O)[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000023990732	202111291	/nfs/dbraw/zinc/11/12/91/202111291.db2.gz	IYZXMNLGTSPTHW-CYBMUJFWSA-N	1	1	332.360	2.177	50	5		EEBAMO
CCOC(=O)[C@@H]1CCC[N@@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1	ZINC000023990732	202111293	/nfs/dbraw/zinc/11/12/93/202111293.db2.gz	IYZXMNLGTSPTHW-CYBMUJFWSA-N	1	1	332.360	2.177	50	5		EEBAMO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1	ZINC000004592688	277187262	/nfs/dbraw/zinc/18/72/62/277187262.db2.gz	JKSQDTZFWSLABO-AWEZNQCLSA-N	1	1	344.396	2.498	50	5		EEBAMO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1	ZINC000004592688	277187263	/nfs/dbraw/zinc/18/72/63/277187263.db2.gz	JKSQDTZFWSLABO-AWEZNQCLSA-N	1	1	344.396	2.498	50	5		EEBAMO
Cc1nc([N+](=O)[O-])c(NCc2cccc(C[NH+]3CCOCC3)c2)n1C	ZINC000100667944	203996153	/nfs/dbraw/zinc/99/61/53/203996153.db2.gz	QUNVNUIBHKBEAG-UHFFFAOYSA-N	1	1	345.403	2.081	50	5		EEBAMO
O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1[N+](=O)[O-]	ZINC000019902275	202025811	/nfs/dbraw/zinc/02/58/11/202025811.db2.gz	BMASTZXRSOHZCT-UHFFFAOYSA-N	1	1	347.415	2.360	50	5		EEBAMO
C[NH+]1CCN([C@@H](CNc2ncccc2[N+](=O)[O-])c2cccs2)CC1	ZINC000007980103	462760337	/nfs/dbraw/zinc/76/03/37/462760337.db2.gz	DVBAQVWHJRTFCR-AWEZNQCLSA-N	1	1	347.444	2.452	50	5		EEBAMO
Cc1cccc(OCC[NH+]2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1	ZINC000026483459	524743809	/nfs/dbraw/zinc/74/38/09/524743809.db2.gz	FVXPZENTVNWSQX-UHFFFAOYSA-N	1	1	342.399	2.499	50	5		EEBAMO
COc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1[N+](=O)[O-]	ZINC000010447060	462819726	/nfs/dbraw/zinc/81/97/26/462819726.db2.gz	BAAGQDZZYRSVNA-CYBMUJFWSA-N	1	1	333.344	2.229	50	5		EEBAMO
O=[N+]([O-])c1cccc(OCC[NH+]2CCN(c3ccccn3)CC2)c1	ZINC000036394274	132391812	/nfs/dbraw/zinc/39/18/12/132391812.db2.gz	ZWQZHSHZCALAJA-UHFFFAOYSA-N	1	1	328.372	2.191	50	5		EEBAMO
COc1cc(CN2CC[N@H+]3CCC[C@@H]3[C@H]2C)c([N+](=O)[O-])cc1OC	ZINC000034829448	463429914	/nfs/dbraw/zinc/42/99/14/463429914.db2.gz	UQLQHGQDTZRGQL-TZMCWYRMSA-N	1	1	335.404	2.281	50	5		EEBAMO
C[C@@H]1C[N@H+](CCCNc2nc3ccccn3c2[N+](=O)[O-])C[C@H](C)O1	ZINC000025151790	463111342	/nfs/dbraw/zinc/11/13/42/463111342.db2.gz	IOWWFCFZEAJPPK-BETUJISGSA-N	1	1	333.392	2.154	50	5		EEBAMO
O=[N+]([O-])c1cnc(N2CC[NH+](Cc3ccccc3)CC2)c([N+](=O)[O-])c1	ZINC000005051524	275041019	/nfs/dbraw/zinc/04/10/19/275041019.db2.gz	SRZMNKFNKLLQMH-UHFFFAOYSA-N	1	1	343.343	2.220	50	5		EEBAMO
COc1cc(CN2CC[N@H+]3CCC[C@@H]3[C@@H]2C)c([N+](=O)[O-])cc1OC	ZINC000006416981	462685720	/nfs/dbraw/zinc/68/57/20/462685720.db2.gz	UQLQHGQDTZRGQL-GXTWGEPZSA-N	1	1	335.404	2.281	50	5		EEBAMO
CCCc1noc(-c2ccc(N3CC[NH+](C)CC3)c([N+](=O)[O-])c2)n1	ZINC000020898005	463030734	/nfs/dbraw/zinc/03/07/34/463030734.db2.gz	SIIZHEIXIALHPE-UHFFFAOYSA-N	1	1	331.376	2.349	50	5		EEBAMO
C[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1	ZINC000012537069	462855703	/nfs/dbraw/zinc/85/57/03/462855703.db2.gz	VGZATGXMVPAKAL-OAHLLOKOSA-N	1	1	346.431	2.118	50	5		EEBAMO
Cc1ccc([N+](=O)[O-])c(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000016489402	462981099	/nfs/dbraw/zinc/98/10/99/462981099.db2.gz	VUMZMWOKZQZPFX-GASCZTMLSA-N	1	1	338.404	2.408	50	5		EEBAMO
Cc1ccc([N+](=O)[O-])c(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1	ZINC000016489402	462981101	/nfs/dbraw/zinc/98/11/01/462981101.db2.gz	VUMZMWOKZQZPFX-GASCZTMLSA-N	1	1	338.404	2.408	50	5		EEBAMO
O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)nc1	ZINC000107138460	463558501	/nfs/dbraw/zinc/55/85/01/463558501.db2.gz	RUVCBHJIHXYGSJ-WBVHZDCISA-N	1	1	342.399	2.285	50	5		EEBAMO
O=C(Cc1ccc([N+](=O)[O-])cc1)N1CC[NH+](Cc2ccccc2)CC1	ZINC000020522518	212143978	/nfs/dbraw/zinc/14/39/78/212143978.db2.gz	RMGXYRFAMBVSKA-UHFFFAOYSA-N	1	1	339.395	2.482	50	5		EEBAMO
C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCC[C@@H](C)C1	ZINC000004834858	210292221	/nfs/dbraw/zinc/29/22/21/210292221.db2.gz	DBUZKMDXQAMFMD-OLZOCXBDSA-N	1	1	326.418	2.489	50	5		EEBAMO
C[C@@H](CS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1	ZINC000004834858	210292217	/nfs/dbraw/zinc/29/22/17/210292217.db2.gz	DBUZKMDXQAMFMD-OLZOCXBDSA-N	1	1	326.418	2.489	50	5		EEBAMO
C[C@H](CNC(=O)COc1cccc([N+](=O)[O-])c1)[N@H+]1CCC[C@H](C)C1	ZINC000109049290	463631320	/nfs/dbraw/zinc/63/13/20/463631320.db2.gz	UEHVLSZLDABFDD-UONOGXRCSA-N	1	1	335.404	2.210	50	5		EEBAMO
COc1ccc(N2C(=O)C[C@@H]([NH+]3CCCCCC3)C2=O)c([N+](=O)[O-])c1	ZINC000004653672	210238935	/nfs/dbraw/zinc/23/89/35/210238935.db2.gz	LNZIQXQGYLJKHT-OAHLLOKOSA-N	1	1	347.371	2.111	50	5		EEBAMO
O=[N+]([O-])c1ccc(N2CCCC2)cc1NCCC[NH+]1CCOCC1	ZINC000019997330	212093676	/nfs/dbraw/zinc/09/36/76/212093676.db2.gz	FAHSZJPKNVZIOD-UHFFFAOYSA-N	1	1	334.420	2.329	50	5		EEBAMO
O=[N+]([O-])c1cccnc1N1CC[NH+](CCOc2ccccc2)CC1	ZINC000018899023	463012514	/nfs/dbraw/zinc/01/25/14/463012514.db2.gz	HTXVUVUOBWSXMH-UHFFFAOYSA-N	1	1	328.372	2.191	50	5		EEBAMO
CC(C)C[C@@H](CNC(=O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCOCC1	ZINC000022611737	212311623	/nfs/dbraw/zinc/31/16/23/212311623.db2.gz	YFHUTNNYKVRRNV-INIZCTEOSA-N	1	1	335.404	2.072	50	5		EEBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](CCOc3ccc(F)cc3)CC2)cn1	ZINC000026483454	463165658	/nfs/dbraw/zinc/16/56/58/463165658.db2.gz	SERGPIMQJVMEAX-UHFFFAOYSA-N	1	1	346.362	2.330	50	5		EEBAMO
C[C@@H](CNS(=O)(=O)c1ccc([N+](=O)[O-])cc1)[N@H+]1CCCC[C@@H]1C	ZINC000032440953	274224990	/nfs/dbraw/zinc/22/49/90/274224990.db2.gz	CSEPMOKJEDDHOU-STQMWFEESA-N	1	1	341.433	2.136	50	5		EEBAMO
C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2NC(=O)c2ccco2)CC1	ZINC000005048926	462645177	/nfs/dbraw/zinc/64/51/77/462645177.db2.gz	PKNMGNVMKCLCTL-UHFFFAOYSA-N	1	1	330.344	2.192	50	5		EEBAMO
C[C@@H]1CCCCN1C(=O)c1ccc(N2CC[NH+](C)CC2)c([N+](=O)[O-])c1	ZINC000008723560	287261697	/nfs/dbraw/zinc/26/16/97/287261697.db2.gz	RSONAGDCZNKSBM-CQSZACIVSA-N	1	1	346.431	2.361	50	5		EEBAMO
C[C@H](CNC(=O)Nc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)O[C@H](C)C1	ZINC000031663941	278204266	/nfs/dbraw/zinc/20/42/66/278204266.db2.gz	NVGSDNDUWPYNOS-JHJVBQTASA-N	1	1	336.392	2.214	50	5		EEBAMO
C[NH+]1CCN(c2ccc(C(=O)NC3CCCCC3)cc2[N+](=O)[O-])CC1	ZINC000006686531	282966805	/nfs/dbraw/zinc/96/68/05/282966805.db2.gz	HFPVPJSEMMYSFV-UHFFFAOYSA-N	1	1	346.431	2.409	50	5		EEBAMO
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@@H+]1CCc2sccc2C1	ZINC000032428006	202224579	/nfs/dbraw/zinc/22/45/79/202224579.db2.gz	SHRFZMQFWAEGDX-SNVBAGLBSA-N	1	1	335.385	2.426	50	5		EEBAMO
C[C@H](CNC(=O)c1ccc([N+](=O)[O-])o1)[N@H+]1CCc2sccc2C1	ZINC000032428006	202224583	/nfs/dbraw/zinc/22/45/83/202224583.db2.gz	SHRFZMQFWAEGDX-SNVBAGLBSA-N	1	1	335.385	2.426	50	5		EEBAMO
O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CC3(Cl)Cl)CC2)cn1	ZINC000027231773	463185765	/nfs/dbraw/zinc/18/57/65/463185765.db2.gz	OCTWNYINQDKJGE-JTQLQIEISA-N	1	1	331.203	2.306	50	5		EEBAMO
Cc1nn(C)c(C)c1C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1	ZINC000036613084	132392119	/nfs/dbraw/zinc/39/21/19/132392119.db2.gz	WIYHUEZMUVRSMM-UHFFFAOYSA-N	1	1	329.404	2.267	50	5		EEBAMO
CC(C)[N@@H+](C)C1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1	ZINC000004674931	210242456	/nfs/dbraw/zinc/24/24/56/210242456.db2.gz	JVHRUJUZDGQXBB-UHFFFAOYSA-N	1	1	341.433	2.088	50	5		EEBAMO
NC(=O)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C2CCCCC2)c([N+](=O)[O-])c1	ZINC000106800681	463538200	/nfs/dbraw/zinc/53/82/00/463538200.db2.gz	HSDDHTXPQRHETP-CVEARBPZSA-N	1	1	347.415	2.209	50	5		EEBAMO
CCCn1cc(C[N@@H+]2CCCN(c3ncccc3[N+](=O)[O-])CC2)cn1	ZINC000105792732	463466019	/nfs/dbraw/zinc/46/60/19/463466019.db2.gz	REWCGFIBSUFSEB-UHFFFAOYSA-N	1	1	344.419	2.309	50	5		EEBAMO
CCCn1cc(C[N@H+]2CCCN(c3ncccc3[N+](=O)[O-])CC2)cn1	ZINC000105792732	463466024	/nfs/dbraw/zinc/46/60/24/463466024.db2.gz	REWCGFIBSUFSEB-UHFFFAOYSA-N	1	1	344.419	2.309	50	5		EEBAMO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])o2)N3)C1	ZINC000004150712	210132491	/nfs/dbraw/zinc/13/24/91/210132491.db2.gz	NALNTUIZXCRSPJ-GFCCVEGCSA-N	1	1	334.357	2.091	50	5		EEBAMO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])o2)N3)C1	ZINC000004150712	210132495	/nfs/dbraw/zinc/13/24/95/210132495.db2.gz	NALNTUIZXCRSPJ-GFCCVEGCSA-N	1	1	334.357	2.091	50	5		EEBAMO
COc1cc(CN2CC[N@H+]3CCC[C@H]3[C@H]2C)c([N+](=O)[O-])cc1OC	ZINC000034829446	463430361	/nfs/dbraw/zinc/43/03/61/463430361.db2.gz	UQLQHGQDTZRGQL-OCCSQVGLSA-N	1	1	335.404	2.281	50	5		EEBAMO
C[C@@H]1C[N@@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1	ZINC000130046687	223116832	/nfs/dbraw/zinc/11/68/32/223116832.db2.gz	UNXZZSVVMVUEEV-PHIMTYICSA-N	1	1	325.340	2.172	50	5		EEBAMO
C[C@@H]1C[N@H+](CCC(=O)Nc2cc([N+](=O)[O-])ccc2F)C[C@H](C)O1	ZINC000130046687	223116835	/nfs/dbraw/zinc/11/68/35/223116835.db2.gz	UNXZZSVVMVUEEV-PHIMTYICSA-N	1	1	325.340	2.172	50	5		EEBAMO
CCn1c2ccccc2c(N2CC[NH+](CC)CC2)c([N+](=O)[O-])c1=O	ZINC000005561928	273665916	/nfs/dbraw/zinc/66/59/16/273665916.db2.gz	FYUIGVHFDKKNFT-UHFFFAOYSA-N	1	1	330.388	2.072	50	5		EEBAMO
C[C@@H]1C[N@H+](CCCNc2ccc([N+](=O)[O-])c3nonc32)C[C@H](C)O1	ZINC000012907831	462874946	/nfs/dbraw/zinc/87/49/46/462874946.db2.gz	RINIJULNKJSHBN-PHIMTYICSA-N	1	1	335.364	2.042	50	5		EEBAMO
CC(C)[C@H](CNC(=O)Nc1cccc([N+](=O)[O-])c1)[NH+]1CCOCC1	ZINC000025314480	463119106	/nfs/dbraw/zinc/11/91/06/463119106.db2.gz	VOODZAIUURDLBO-HNNXBMFYSA-N	1	1	336.392	2.073	50	5		EEBAMO
Cc1ccc([N+](=O)[O-])c(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1	ZINC000020653586	212160269	/nfs/dbraw/zinc/16/02/69/212160269.db2.gz	VUMZMWOKZQZPFX-HUUCEWRRSA-N	1	1	338.404	2.408	50	5		EEBAMO
COc1ccc(N2C(=O)C[C@H]([NH+]3CCCCCC3)C2=O)c([N+](=O)[O-])c1	ZINC000022118019	212278020	/nfs/dbraw/zinc/27/80/20/212278020.db2.gz	LNZIQXQGYLJKHT-HNNXBMFYSA-N	1	1	347.371	2.111	50	5		EEBAMO
COCC[N@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000032850936	463398768	/nfs/dbraw/zinc/39/87/68/463398768.db2.gz	NAZRGDVTEHYLCM-UHFFFAOYSA-N	1	1	343.383	2.342	50	5		EEBAMO
COCC[N@@H+](Cc1ccccc1)Cc1ccc(C(N)=O)cc1[N+](=O)[O-]	ZINC000032850936	463398773	/nfs/dbraw/zinc/39/87/73/463398773.db2.gz	NAZRGDVTEHYLCM-UHFFFAOYSA-N	1	1	343.383	2.342	50	5		EEBAMO
O=[N+]([O-])c1cnn(C[C@H](O)C[N@@H+](C2CC2)[C@@H]2CCc3ccccc32)c1	ZINC000107065276	463557271	/nfs/dbraw/zinc/55/72/71/463557271.db2.gz	FEWPZFYUOHIHOG-FUHWJXTLSA-N	1	1	342.399	2.304	50	5		EEBAMO
NC(=O)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C2CCCCC2)c([N+](=O)[O-])c1	ZINC000106800677	463538565	/nfs/dbraw/zinc/53/85/65/463538565.db2.gz	HSDDHTXPQRHETP-HOTGVXAUSA-N	1	1	347.415	2.209	50	5		EEBAMO
C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1	ZINC000004811918	283172402	/nfs/dbraw/zinc/17/24/02/283172402.db2.gz	RRIDJHCAVXRZRD-CQSZACIVSA-N	1	1	344.396	2.498	50	5		EEBAMO
C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1	ZINC000004811918	283172404	/nfs/dbraw/zinc/17/24/04/283172404.db2.gz	RRIDJHCAVXRZRD-CQSZACIVSA-N	1	1	344.396	2.498	50	5		EEBAMO